A0A096NV34_PAPAN Loading...

FERM domain containing kindlin 2

AlphaFold DB (F7GCB8), UniProt , Accession A0A096NV34, Species PAPAN (Papio anubis, Olive baboon), Gene FERMT2, Length 695 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
1M39Very low50Low255 Ų255132.1 Ų132.1100%1.25673%0.732SS**  098.50-74.4178.1-173.600107.6
2A35.3Very low50.4Low95 Ų95127 Ų12779%0.78571%0.711SS**  trans-142105.7169.200000105.3
3L41.9Very low50.9Low177 Ų177129.3 Ų129.393%0.92770%0.704SS**  trans-91.1100169.5-85.2157.4000105.8G5L3-G5 PolarHBondContact O-N 3.47Å
4D44.9Very low51.8Low171 Ų171122.9 Ų122.991%0.91468%0.677SS**  trans-68.285.1166.1-87.5-26.6000108.5
5G49.8Very low53.3Low29 Ų29121.1 Ų121.130%0.29967%0.666SS.*PPolyproline II helixtrans-97.2129.5169.700000110.5L3 R7L3-G5 PolarHBondContact O-N 3.47Å; G5-R7 PolarHBondContact O-N 3.3Å
6I54.6Low54.9Low139 Ų139117 Ų11771%0.71366%0.66SS**PPolyproline II helixtrans-66.4120.2173-62.1172.1000108.2A14I6-A14 WeakPolarHBondContact O-CB 3.45Å; I6-A14 PolarHBondContact O-N 3.36Å
7R50Low56.9Low187 Ų187112.5 Ų112.571%0.70664%0.635SS**BIsolated β-bridgetrans-79.7119.9178.8-175.7174.7169.2-176.6-2.7109.9G5G5-R7 PolarHBondContact O-N 3.3Å
8M59.6Low58.9Low99 Ų99108.7 Ų108.749%0.48861%0.609SS.*PPolyproline II helixtrans-75.8159.1177.1-67.4-97.417900110.8D10 G11 C12 A14M8-D10 WeakPolarHBondContact CB-OD1 3.26Å; M8-D10 PolarHBondContact O-N 2.72Å; M8-D10 VanDerWaalsContact O-N 3.1Å; M8-G11 PolarHBondContact O-N 2.57Å; M8-C12 WeakPolarHBondContact CB-O 3.2Å; M8-C12 PolarHBondContact N-O 3.49Å; M8-A14 HydrophobicContact CE-CB 3.75Å; M8-A14 HydrophobicContact CG-CB 4.35Å
9P56.1Low60.7Low143 Ų143109.2 Ų109.293%0.92961%0.606SS**THydrogen-bonded Turntrans-62.1-16.1-177.2-2232.9000115.2
10D65.8Low62.4Low119 Ų119103.7 Ų103.764%0.63658%0.576SS**THydrogen-bonded Turntrans-86.8-2.4176.664.3-7.1000113.4M8 C12M8-D10 WeakPolarHBondContact CB-OD1 3.26Å; M8-D10 PolarHBondContact O-N 2.72Å; M8-D10 VanDerWaalsContact O-N 3.1Å; D10-C12 WeakPolarHBondContact OD1-CB 3.25Å; D10-C12 PolarHBondContact OD1-N 3.43Å
11G53.1Low64Low39 Ų39100.7 Ų100.740%0.40256%0.562SS.*SBendtrans87.41-179.300000114.9M8M8-G11 PolarHBondContact O-N 2.57Å
12C54.4Low66.8Low71 Ų7188.6 Ų88.648%0.4850%0.502SS..  trans-86144.2174.8-64.70000111.1M8 D10M8-C12 WeakPolarHBondContact CB-O 3.2Å; M8-C12 PolarHBondContact N-O 3.49Å; D10-C12 WeakPolarHBondContact OD1-CB 3.25Å; D10-C12 PolarHBondContact OD1-N 3.43Å
13Y57.5Low69.7Low157 Ų15786 Ų8662%0.61647%0.474SS*.BIsolated β-bridgetrans-76.6134.4170.1-74.5-89.8000109.1D15Y13-D15 PolarHBondContact O-N 3.18Å
14A63.2Low72.3Confident39 Ų3977.6 Ų77.632%0.32243%0.43SS..  trans-66.696.7168.100000108.6I6 M8 G16I6-A14 WeakPolarHBondContact O-CB 3.45Å; I6-A14 PolarHBondContact O-N 3.36Å; M8-A14 HydrophobicContact CE-CB 3.75Å; M8-A14 HydrophobicContact CG-CB 4.35Å; A14-G16 PolarHBondContact O-N 3.3Å
15D74.8Confident74.6Confident97 Ų9771.6 Ų71.652%0.51940%0.4SS..  trans-79.77.4-179.565.9-4.2000113.1Y13 T17Y13-D15 PolarHBondContact O-N 3.18Å; D15-T17 HydrophobicContact CB-CG2 4.41Å; D15-T17 VanDerWaalsContact CG-CG2 3.44Å; D15-T17 PolarHBondContact O-N 3.21Å; D15-T17 VanDerWaalsContact OD1-CB 3.25Å; D15-T17 WeakPolarHBondContact OD1-CB 3.36Å; D15-T17 WeakPolarHBondContact OD1-CG2 3.36Å; D15-T17 PolarHBondContact OD1-N 3.4Å; D15-T17 PolarHBondContact OD1-OG1 3.2Å; D15-T17 WeakPolarHBondContact OD2-CG2 3.4Å; D15-T17 PolarHBondContact OD2-OG1 3.11Å; D15-T17 VanDerWaalsContact OD2-OG1 3.1Å
16G78.9Confident76.5Confident55 Ų5573 Ų7357%0.56740%0.4SS*.SBendtrans69.96.7-176.600000113.8A14A14-G16 PolarHBondContact O-N 3.3Å
17T88.8Confident78.3Confident40 Ų4069 Ų6925%0.24538%0.38CS..  trans-83147.3177.570.70000111.5D15 R34 V35 T36D15-T17 HydrophobicContact CB-CG2 4.41Å; D15-T17 VanDerWaalsContact CG-CG2 3.44Å; D15-T17 PolarHBondContact O-N 3.21Å; D15-T17 VanDerWaalsContact OD1-CB 3.25Å; D15-T17 WeakPolarHBondContact OD1-CB 3.36Å; D15-T17 WeakPolarHBondContact OD1-CG2 3.36Å; D15-T17 PolarHBondContact OD1-N 3.4Å; D15-T17 PolarHBondContact OD1-OG1 3.2Å; D15-T17 WeakPolarHBondContact OD2-CG2 3.4Å; D15-T17 PolarHBondContact OD2-OG1 3.11Å; D15-T17 VanDerWaalsContact OD2-OG1 3.1Å; T17-R34 HydrophobicContact CG2-CG 4.31Å; T17-R34 PolarHBondContact OG1-NH1 3.26Å; T17-R34 VanDerWaalsContact OG1-NH1 3.14Å; T17-V35 CarbonylContact C-O 3.21Å; T17-V35 VanDerWaalsContact CA-O 3.27Å; T17-V35 WeakPolarHBondContact CA-O 3.43Å; T17-T36 HydrophobicContact CG2-CG2 3.63Å
18W93.1Very high80.4Confident44 Ų4466 Ų6617%0.16738%0.378CS..EExtended strand (participates in β ladder)trans-145.1167.417652.8-92.3000110.4L20 R34 V35 L79 I84 Q85 A86W18-L20 HydrophobicContact CE3-CB 4.2Å; W18-L20 HydrophobicContact CH2-CB 4.21Å; W18-L20 HydrophobicContact CH2-CD1 3.93Å; W18-L20 HydrophobicContact CH2-CG 4.47Å; W18-L20 HydrophobicContact CZ3-CB 3.54Å; W18-L20 HydrophobicContact CZ3-CD1 3.65Å; W18-L20 HydrophobicContact CZ3-CG 4.12Å; W18-R34 WeakPolarHBondContact O-CA 3.41Å; W18-V35 HydrophobicContact CD2-CG2 3.9Å; W18-V35 HydrophobicContact CE3-CG2 3.83Å; W18-V35 HydrophobicContact CH2-CG2 3.74Å; W18-V35 HydrophobicContact CZ2-CG2 3.79Å; W18-V35 HydrophobicContact CZ3-CG2 3.78Å; W18-V35 PolarHBondContact N-O 3.47Å; W18-V35 PolarHBondContact O-N 2.98Å; W18-L79 HydrophobicContact CH2-CD1 4.06Å; W18-L79 HydrophobicContact CZ2-CD1 3.96Å; W18-I84 HydrophobicContact CH2-CG2 3.89Å; W18-Q85 WeakPolarHBondContact CZ3-O 3.46Å; W18-A86 HydrophobicContact CB-CB 3.89Å; W18-A86 HydrophobicContact CD2-CB 4.11Å; W18-A86 VanDerWaalsContact CE3-CA 3.4Å; W18-A86 HydrophobicContact CE3-CB 4.01Å; W18-A86 HydrophobicContact CG-CB 4.09Å
19E93.2Very high82Confident118 Ų11868.2 Ų68.255%0.55138%0.381SS*.EExtended strand (participates in β ladder)trans-97.3117.4-175.4-71.5-168.5167.800111.4T32 L33 R34E19-T32 HydrophobicContact CB-CG2 3.64Å; E19-T32 HydrophobicContact CG-CG2 4.06Å; E19-L33 WeakPolarHBondContact CA-O 3.26Å; E19-R34 IonicContact OE1-NH2 3.8Å
20L95.1Very high83.8Confident0 Ų066.8 Ų66.80%037%0.366CS..EExtended strand (participates in β ladder)trans-95.6121175.7-179.562.1000109.9W18 V22 T32 L33 V35 V44 L79 I84 A88 L90W18-L20 HydrophobicContact CE3-CB 4.2Å; W18-L20 HydrophobicContact CH2-CB 4.21Å; W18-L20 HydrophobicContact CH2-CD1 3.93Å; W18-L20 HydrophobicContact CH2-CG 4.47Å; W18-L20 HydrophobicContact CZ3-CB 3.54Å; W18-L20 HydrophobicContact CZ3-CD1 3.65Å; W18-L20 HydrophobicContact CZ3-CG 4.12Å; L20-V22 HydrophobicContact CD2-CG2 4.34Å; L20-V22 HydrophobicContact CG-CG2 4.09Å; L20-T32 CarbonylContact O-C 3.54Å; L20-T32 WeakPolarHBondContact O-CA 3.35Å; L20-L33 PolarHBondContact N-O 2.89Å; L20-L33 PolarHBondContact O-N 2.75Å; L20-V35 HydrophobicContact CB-CG1 4.47Å; L20-V35 HydrophobicContact CB-CG2 3.76Å; L20-V35 HydrophobicContact CD2-CG2 4.42Å; L20-V44 HydrophobicContact CD2-CG1 3.85Å; L20-V44 HydrophobicContact CD2-CG2 4.41Å; L20-L79 HydrophobicContact CD2-CD1 4.39Å; L20-L79 HydrophobicContact CD2-CD2 4.4Å; L20-I84 HydrophobicContact CD1-CG2 4.17Å; L20-A88 HydrophobicContact CD1-CB 4.49Å; L20-L90 HydrophobicContact CD1-CD1 3.86Å; L20-L90 HydrophobicContact CD1-CG 4Å; L20-L90 HydrophobicContact CD2-CD1 3.95Å; L20-L90 HydrophobicContact CG-CD1 4.29Å
21S95.5Very high85.2Confident41 Ų4161.9 Ų61.929%0.28734%0.34SS..EExtended strand (participates in β ladder)trans-90.5124.3176-1760000110.8L90S21-L90 PolarHBondContact O-N 2.65Å
22V97.1Very high87.2Confident0 Ų062.6 Ų62.60%034%0.337CS..EExtended strand (participates in β ladder)trans-125.9120.5178.8-169.80000110.2L20 V31 L48 L63 L90 F92L20-V22 HydrophobicContact CD2-CG2 4.34Å; L20-V22 HydrophobicContact CG-CG2 4.09Å; V22-V31 PolarHBondContact N-O 3.17Å; V22-V31 PolarHBondContact O-N 2.99Å; V22-L48 HydrophobicContact CB-CD1 4.31Å; V22-L48 HydrophobicContact CB-CD2 4.48Å; V22-L48 HydrophobicContact CG1-CD1 4.42Å; V22-L48 HydrophobicContact CG1-CD2 3.79Å; V22-L63 HydrophobicContact CG1-CD2 3.82Å; V22-L90 CarbonylContact C-O 3.54Å; V22-L90 WeakPolarHBondContact CA-O 3.41Å; V22-L90 HydrophobicContact CG1-CB 4.43Å; V22-L90 HydrophobicContact CG2-CB 4.34Å; V22-F92 HydrophobicContact CG1-CB 3.78Å
23H97.4Very high89.1Confident42 Ų4259.6 Ų59.619%0.19432%0.316CS..EExtended strand (participates in β ladder)trans-94118.8175.5-179.474.7000111.1T25 N28 D30 L90 Q91 F92H23-T25 PolarHBondContact O-N 3.28Å; H23-N28 PolarHBondContact CE1-OD1 3.27Å; H23-D30 VanDerWaalsContact CB-OD1 3.28Å; H23-D30 WeakPolarHBondContact CB-OD1 3.02Å; H23-D30 IonicContact CE1-OD1 3.73Å; H23-D30 IonicContact CG-OD1 3.96Å; H23-D30 IonicContact ND1-OD1 2.69Å; H23-D30 PolarHBondContact ND1-OD1 3.31Å; H23-D30 IonicContact ND1-OD2 3.62Å; H23-L90 PolarHBondContact N-O 3.46Å; H23-Q91 HydrophobicContact CB-CG 4.38Å; H23-Q91 CarbonylContact O-C 3.59Å; H23-Q91 VanDerWaalsContact O-CA 3.23Å; H23-Q91 WeakPolarHBondContact O-CA 3.44Å; H23-F92 PolarHBondContact O-N 3.24Å
24V96.1Very high90.8Very high0 Ų059.2 Ų59.20%031%0.313CS..EExtended strand (participates in β ladder)trans-88.3104.6177.4-174.60000108.9D26 L27 N28 R29 V31 L48 L52 W58 F92V24-D26 VanDerWaalsContact CG1-OD1 3.3Å; V24-D26 WeakPolarHBondContact CG1-OD1 3.42Å; V24-D26 PolarHBondContact O-N 3.19Å; V24-L27 HydrophobicContact CB-CB 4.44Å; V24-L27 HydrophobicContact CG1-CB 4.01Å; V24-L27 HydrophobicContact CG1-CD1 4.13Å; V24-L27 HydrophobicContact CG1-CG 4Å; V24-L27 PolarHBondContact O-N 2.78Å; V24-N28 WeakPolarHBondContact O-CA 3.46Å; V24-N28 PolarHBondContact O-N 3.37Å; V24-R29 PolarHBondContact N-O 2.71Å; V24-R29 PolarHBondContact O-N 2.93Å; V24-V31 HydrophobicContact CG2-CG2 4.47Å; V24-L48 HydrophobicContact CG2-CD1 4.41Å; V24-L52 HydrophobicContact CG2-CD1 3.92Å; V24-L52 HydrophobicContact CG2-CD2 4.22Å; V24-W58 HydrophobicContact CG1-CH2 4.04Å; V24-W58 HydrophobicContact CG1-CZ3 4.01Å; V24-F92 WeakPolarHBondContact CA-O 3.35Å; V24-F92 HydrophobicContact CG2-CB 4.33Å
25T93.1Very high92.3Very high44 Ų4457.5 Ų57.527%0.2730%0.298SS..THydrogen-bonded Turntrans-66.6-38.8-16355.50000114.1H23 N28 Q91 F92 T93H23-T25 PolarHBondContact O-N 3.28Å; T25-N28 PolarHBondContact O-N 2.98Å; T25-Q91 HydrophobicContact CG2-CB 4.16Å; T25-Q91 HydrophobicContact CG2-CG 4.42Å; T25-F92 PolarHBondContact N-O 2.73Å; T25-F92 VanDerWaalsContact N-O 3.1Å; T25-T93 WeakPolarHBondContact OG1-CA 3.42Å; T25-T93 VanDerWaalsContact OG1-CB 3.23Å; T25-T93 WeakPolarHBondContact OG1-CB 3.34Å; T25-T93 PolarHBondContact OG1-OG1 2.71Å
26D89.9Confident93.2Very high58 Ų5854.9 Ų54.931%0.3129%0.286SS..THydrogen-bonded Turntrans-83-21-175.158.7-33.4000113.1V24 K56 H61V24-D26 VanDerWaalsContact CG1-OD1 3.3Å; V24-D26 WeakPolarHBondContact CG1-OD1 3.42Å; V24-D26 PolarHBondContact O-N 3.19Å; D26-K56 WeakPolarHBondContact OD2-CE 3.35Å; D26-K56 IonicContact OD2-NZ 4Å; D26-K56 PolarHBondContact OD2-NZ 2.81Å; D26-H61 VanDerWaalsContact CG-NE2 3.33Å; D26-H61 IonicContact OD1-CD2 3.45Å; D26-H61 IonicContact OD1-NE2 2.86Å; D26-H61 PolarHBondContact OD1-NE2 2.97Å; D26-H61 IonicContact OD2-CE1 2.61Å; D26-H61 PolarHBondContact OD2-CE1 2.72Å; D26-H61 IonicContact OD2-NE2 2.75Å; D26-H61 PolarHBondContact OD2-NE2 3.25Å
27L91.9Very high93.8Very high55 Ų5552.7 Ų52.729%0.28826%0.264SS..THydrogen-bonded Turntrans-93.9-12.9168.6-60.9-174.2000112.5V24 R29 L52 W58V24-L27 HydrophobicContact CB-CB 4.44Å; V24-L27 HydrophobicContact CG1-CB 4.01Å; V24-L27 HydrophobicContact CG1-CD1 4.13Å; V24-L27 HydrophobicContact CG1-CG 4Å; V24-L27 PolarHBondContact O-N 2.78Å; L27-R29 VanDerWaalsContact C-N 3.29Å; L27-R29 HydrophobicContact CB-CB 4.43Å; L27-R29 HydrophobicContact CB-CG 4.07Å; L27-R29 WeakPolarHBondContact O-CG 3.32Å; L27-R29 PolarHBondContact O-N 2.87Å; L27-L52 HydrophobicContact CD1-CD2 4.47Å; L27-W58 HydrophobicContact CD1-CH2 3.73Å; L27-W58 HydrophobicContact CD1-CZ2 4.29Å; L27-W58 HydrophobicContact CG-CH2 4.36Å
28N93.3Very high94.1Very high125 Ų12558 Ų5867%0.66829%0.286SS*.THydrogen-bonded Turntrans50.247.9-171-167.839.7000112H23 V24 T25H23-N28 PolarHBondContact CE1-OD1 3.27Å; V24-N28 WeakPolarHBondContact O-CA 3.46Å; V24-N28 PolarHBondContact O-N 3.37Å; T25-N28 PolarHBondContact O-N 2.98Å
29R93.5Very high94.2Very high145 Ų14557 Ų5755%0.54728%0.284SS..EExtended strand (participates in β ladder)trans-125.5136.7-178.9-62.6-175.288.9168.44.5111.1V24 L27V24-R29 PolarHBondContact N-O 2.71Å; V24-R29 PolarHBondContact O-N 2.93Å; L27-R29 VanDerWaalsContact C-N 3.29Å; L27-R29 HydrophobicContact CB-CB 4.43Å; L27-R29 HydrophobicContact CB-CG 4.07Å; L27-R29 WeakPolarHBondContact O-CG 3.32Å; L27-R29 PolarHBondContact O-N 2.87Å
30D94.6Very high94.4Very high114 Ų11456 Ų5661%0.6128%0.28SS*.EExtended strand (participates in β ladder)trans-94.4132.9172.3-64.2-54.8000110.8H23H23-D30 VanDerWaalsContact CB-OD1 3.28Å; H23-D30 WeakPolarHBondContact CB-OD1 3.02Å; H23-D30 IonicContact CE1-OD1 3.73Å; H23-D30 IonicContact CG-OD1 3.96Å; H23-D30 IonicContact ND1-OD1 2.69Å; H23-D30 PolarHBondContact ND1-OD1 3.31Å; H23-D30 IonicContact ND1-OD2 3.62Å
31V95.3Very high94.5Very high15 Ų1556 Ų569%0.09128%0.28CS..EExtended strand (participates in β ladder)trans-125.3134.4176.6-175.50000108.7V22 V24 L33 L48 K51 L52V22-V31 PolarHBondContact N-O 3.17Å; V22-V31 PolarHBondContact O-N 2.99Å; V24-V31 HydrophobicContact CG2-CG2 4.47Å; V31-L33 HydrophobicContact CG1-CD2 4.15Å; V31-L33 HydrophobicContact CG1-CG 4.39Å; V31-L48 HydrophobicContact CB-CD1 3.63Å; V31-L48 HydrophobicContact CG1-CD1 3.77Å; V31-L48 HydrophobicContact CG2-CD1 3.94Å; V31-K51 HydrophobicContact CG1-CB 4.41Å; V31-K51 HydrophobicContact CG1-CD 3.66Å; V31-K51 HydrophobicContact CG1-CG 4.02Å; V31-L52 HydrophobicContact CG2-CD2 3.61Å; V31-L52 HydrophobicContact CG2-CG 4.22Å
32T95Very high94.5Very high55 Ų5555 Ų5534%0.33728%0.275SS..EExtended strand (participates in β ladder)trans-109.3130.4175.5-55.50000109.7E19 L20 K51E19-T32 HydrophobicContact CB-CG2 3.64Å; E19-T32 HydrophobicContact CG-CG2 4.06Å; L20-T32 CarbonylContact O-C 3.54Å; L20-T32 WeakPolarHBondContact O-CA 3.35Å; T32-K51 PolarHBondContact O-NZ 2.65Å
33L94.4Very high94.4Very high8 Ų856.2 Ų56.24%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-120.1135.8-178-62.9174.3000110.2E19 L20 V31 V35 V44 K47 L48 K51E19-L33 WeakPolarHBondContact CA-O 3.26Å; L20-L33 PolarHBondContact N-O 2.89Å; L20-L33 PolarHBondContact O-N 2.75Å; V31-L33 HydrophobicContact CG1-CD2 4.15Å; V31-L33 HydrophobicContact CG1-CG 4.39Å; L33-V35 HydrophobicContact CB-CG1 4.19Å; L33-V44 HydrophobicContact CD1-CG1 4.01Å; L33-K47 HydrophobicContact CD1-CB 4.35Å; L33-K47 HydrophobicContact CD2-CB 4.38Å; L33-L48 HydrophobicContact CD1-CB 4Å; L33-L48 HydrophobicContact CD1-CD1 4.32Å; L33-K51 HydrophobicContact CD2-CB 4.31Å; L33-K51 HydrophobicContact CD2-CD 3.61Å
34R93.6Very high94.3Very high149 Ų14954.2 Ų54.256%0.56228%0.279SS*.EExtended strand (participates in β ladder)trans-82.7120.6170.7-174.8171.2-70.9-118.1-0.2109.5T17 W18 E19T17-R34 HydrophobicContact CG2-CG 4.31Å; T17-R34 PolarHBondContact OG1-NH1 3.26Å; T17-R34 VanDerWaalsContact OG1-NH1 3.14Å; W18-R34 WeakPolarHBondContact O-CA 3.41Å; E19-R34 IonicContact OE1-NH2 3.8Å
35V94.7Very high94.3Very high2 Ų256.2 Ų56.21%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-137.1164.5-173.8-61.40000111.3T17 W18 L20 L33 V39 V44 L79T17-V35 CarbonylContact C-O 3.21Å; T17-V35 VanDerWaalsContact CA-O 3.27Å; T17-V35 WeakPolarHBondContact CA-O 3.43Å; W18-V35 HydrophobicContact CD2-CG2 3.9Å; W18-V35 HydrophobicContact CE3-CG2 3.83Å; W18-V35 HydrophobicContact CH2-CG2 3.74Å; W18-V35 HydrophobicContact CZ2-CG2 3.79Å; W18-V35 HydrophobicContact CZ3-CG2 3.78Å; W18-V35 PolarHBondContact N-O 3.47Å; W18-V35 PolarHBondContact O-N 2.98Å; L20-V35 HydrophobicContact CB-CG1 4.47Å; L20-V35 HydrophobicContact CB-CG2 3.76Å; L20-V35 HydrophobicContact CD2-CG2 4.42Å; L33-V35 HydrophobicContact CB-CG1 4.19Å; V35-V39 HydrophobicContact CB-CG2 4.19Å; V35-V44 HydrophobicContact CG1-CG2 4.44Å; V35-L79 HydrophobicContact CB-CD1 3.94Å; V35-L79 HydrophobicContact CG1-CD1 4.45Å; V35-L79 HydrophobicContact CG2-CD1 3.72Å
36T93.9Very high94.4Very high43 Ų4359.5 Ų59.526%0.26430%0.304SS..  trans-116.6163.9165.7600000108.9T17 E38 V39T17-T36 HydrophobicContact CG2-CG2 3.63Å; T36-E38 PolarHBondContact O-N 2.99Å; T36-V39 WeakPolarHBondContact O-CB 3.46Å; T36-V39 WeakPolarHBondContact O-CG2 3.38Å; T36-V39 PolarHBondContact O-N 3.35Å; T36-V39 VanDerWaalsContact O-N 3.09Å
37G91.3Very high94.7Very high9 Ų961 Ų619%0.09331%0.308CS..THydrogen-bonded Turntrans-59.2-25.8178.200000114.6V39 T78 L79 D80G37-V39 VanDerWaalsContact C-N 3.33Å; G37-V39 PolarHBondContact O-N 2.86Å; G37-T78 WeakPolarHBondContact O-CB 3.21Å; G37-L79 PolarHBondContact O-N 3.02Å; G37-D80 VanDerWaalsContact C-OD2 3.29Å; G37-D80 VanDerWaalsContact CA-OD1 3.27Å; G37-D80 WeakPolarHBondContact CA-OD1 3.43Å; G37-D80 VanDerWaalsContact CA-OD2 3.3Å; G37-D80 WeakPolarHBondContact CA-OD2 3.33Å; G37-D80 PolarHBondContact O-N 2.85Å
38E94Very high94.8Very high152 Ų15258.4 Ų58.471%0.7129%0.294SS*.THydrogen-bonded Turntrans-77.8-12.8178.3-60.8-177.5166.800113.9T36 H40 T78T36-E38 PolarHBondContact O-N 2.99Å; E38-H40 PolarHBondContact O-N 3.35Å; E38-T78 WeakPolarHBondContact O-CG2 3.45Å
39V95.1Very high94.9Very high21 Ų2154.7 Ų54.713%0.12728%0.276CS..  trans-64.1130.8179.9179.60000109.8V35 T36 G37 V44 T78 L79V35-V39 HydrophobicContact CB-CG2 4.19Å; T36-V39 WeakPolarHBondContact O-CB 3.46Å; T36-V39 WeakPolarHBondContact O-CG2 3.38Å; T36-V39 PolarHBondContact O-N 3.35Å; T36-V39 VanDerWaalsContact O-N 3.09Å; G37-V39 VanDerWaalsContact C-N 3.33Å; G37-V39 PolarHBondContact O-N 2.86Å; V39-V44 HydrophobicContact CG1-CG2 3.75Å; V39-T78 WeakPolarHBondContact O-CA 3.44Å; V39-L79 HydrophobicContact CB-CD1 4.24Å; V39-L79 PolarHBondContact O-N 3.16Å
40H97.1Very high94.9Very high99 Ų9954.8 Ų54.846%0.45828%0.282SS..BIsolated β-bridgetrans-73148.8175-59.7-75.5000111.9E38 G42 G43 V44 H76 W77E38-H40 PolarHBondContact O-N 3.35Å; H40-G42 VanDerWaalsContact C-N 3.3Å; H40-G42 PolarHBondContact O-N 3.39Å; H40-G43 WeakPolarHBondContact O-CA 3.33Å; H40-G43 PolarHBondContact O-N 2.79Å; H40-V44 PolarHBondContact O-N 3Å; H40-H76 PolarHBondContact ND1-O 3.3Å; H40-W77 CarbonylContact C-O 3.6Å; H40-W77 VanDerWaalsContact CA-O 3.29Å; H40-W77 WeakPolarHBondContact CA-O 3.35Å
41I97Very high94.9Very high0 Ų055.5 Ų55.50%028%0.28CS..Hα-helixtrans-53.7-44.7176.2-67.1-56.3000112.3G43 V44 M45 L63 L72 T75 W77 L79 Y82 I84I41-G43 VanDerWaalsContact C-N 3.26Å; I41-G43 PolarHBondContact O-N 3.19Å; I41-V44 WeakPolarHBondContact O-CB 2.91Å; I41-V44 PolarHBondContact O-N 3.35Å; I41-V44 VanDerWaalsContact O-N 3.11Å; I41-M45 HydrophobicContact CG2-SD 4.25Å; I41-M45 WeakPolarHBondContact O-CG 3.44Å; I41-M45 PolarHBondContact O-N 2.9Å; I41-L63 HydrophobicContact CG2-CD1 4.18Å; I41-L72 HydrophobicContact CD1-CB 4.22Å; I41-L72 HydrophobicContact CD1-CD1 3.96Å; I41-L72 HydrophobicContact CG1-CB 4.44Å; I41-L72 HydrophobicContact CG2-CB 4.23Å; I41-L72 WeakPolarHBondContact CG2-O 3.38Å; I41-T75 PolarHBondContact N-O 2.82Å; I41-W77 WeakPolarHBondContact CG1-O 3.32Å; I41-W77 PolarHBondContact N-O 3.12Å; I41-L79 HydrophobicContact CD1-CD2 3.72Å; I41-Y82 HydrophobicContact CD1-CD2 4.09Å; I41-Y82 HydrophobicContact CD1-CE2 4.42Å; I41-Y82 HydrophobicContact CG1-CD2 3.87Å; I41-Y82 HydrophobicContact CG1-CE2 3.81Å; I41-I84 HydrophobicContact CD1-CD1 4.19Å
42G95.6Very high94.7Very high18 Ų1855.7 Ų55.719%0.18628%0.28CS..Hα-helixtrans-62.1-34.3176.100000112.7H40 M45 L46 T75H40-G42 VanDerWaalsContact C-N 3.3Å; H40-G42 PolarHBondContact O-N 3.39Å; G42-M45 PolarHBondContact O-N 2.97Å; G42-L46 WeakPolarHBondContact O-CG 3.49Å; G42-L46 PolarHBondContact O-N 3.21Å; G42-T75 PolarHBondContact N-O 2.83Å
43G95.9Very high94.6Very high27 Ų2760.2 Ų60.228%0.27830%0.303SS..Hα-helixtrans-67.7-35.9173.800000112.9H40 I41 K47H40-G43 WeakPolarHBondContact O-CA 3.33Å; H40-G43 PolarHBondContact O-N 2.79Å; I41-G43 VanDerWaalsContact C-N 3.26Å; I41-G43 PolarHBondContact O-N 3.19Å; G43-K47 WeakPolarHBondContact O-CB 3.34Å; G43-K47 WeakPolarHBondContact O-CG 3.32Å; G43-K47 PolarHBondContact O-N 3.01Å; G43-K47 VanDerWaalsContact O-N 3.07Å
44V96Very high94.4Very high0 Ų062.5 Ų62.50%032%0.317CS..Hα-helixtrans-63.6-44.2172179.20000110.7L20 L33 V35 V39 H40 I41 K47 L48 L63 L79L20-V44 HydrophobicContact CD2-CG1 3.85Å; L20-V44 HydrophobicContact CD2-CG2 4.41Å; L33-V44 HydrophobicContact CD1-CG1 4.01Å; V35-V44 HydrophobicContact CG1-CG2 4.44Å; V39-V44 HydrophobicContact CG1-CG2 3.75Å; H40-V44 PolarHBondContact O-N 3Å; I41-V44 WeakPolarHBondContact O-CB 2.91Å; I41-V44 PolarHBondContact O-N 3.35Å; I41-V44 VanDerWaalsContact O-N 3.11Å; V44-K47 PolarHBondContact O-N 2.88Å; V44-L48 WeakPolarHBondContact O-CB 3.2Å; V44-L48 PolarHBondContact O-N 2.87Å; V44-L63 HydrophobicContact CB-CD1 4.32Å; V44-L63 HydrophobicContact CG1-CD1 4.01Å; V44-L79 HydrophobicContact CG2-CD1 4.15Å; V44-L79 HydrophobicContact CG2-CD2 4.21Å; V44-L79 HydrophobicContact CG2-CG 4.36Å
45M96.1Very high94.2Very high41 Ų4165.9 Ų65.920%0.20234%0.336CS..Hα-helixtrans-61.5-44.7178.2-65.9167.668.400111.9I41 G42 L48 V49 L63 T75 F92I41-M45 HydrophobicContact CG2-SD 4.25Å; I41-M45 WeakPolarHBondContact O-CG 3.44Å; I41-M45 PolarHBondContact O-N 2.9Å; G42-M45 PolarHBondContact O-N 2.97Å; M45-L48 WeakPolarHBondContact O-CB 3.49Å; M45-L48 PolarHBondContact O-N 2.99Å; M45-V49 WeakPolarHBondContact O-CG2 3.4Å; M45-V49 PolarHBondContact O-N 2.92Å; M45-L63 HydrophobicContact CG-CD1 4.12Å; M45-L63 HydrophobicContact CG-CG 4.24Å; M45-T75 HydrophobicContact SD-CG2 4.33Å; M45-F92 HydrophobicContact CE-CE2 4.11Å; M45-F92 HydrophobicContact CG-CE2 4.16Å
46L95.2Very high93.9Very high114 Ų11470.2 Ų70.260%0.59735%0.354SS*.Hα-helixtrans-61.8-50.3176.8-70.6171.8000111.9G42 L48 V49 E50G42-L46 WeakPolarHBondContact O-CG 3.49Å; G42-L46 PolarHBondContact O-N 3.21Å; L46-L48 PolarHBondContact O-N 2.93Å; L46-V49 PolarHBondContact O-N 3.35Å; L46-E50 WeakPolarHBondContact O-CG 3.15Å; L46-E50 PolarHBondContact O-N 2.99Å
47K95Very high93.8Very high90 Ų9073.7 Ų73.739%0.39137%0.371SS..Hα-helixtrans-58.4-35.4176.6-75.3-179.7175-175.40112.6L33 G43 V44 K51L33-K47 HydrophobicContact CD1-CB 4.35Å; L33-K47 HydrophobicContact CD2-CB 4.38Å; G43-K47 WeakPolarHBondContact O-CB 3.34Å; G43-K47 WeakPolarHBondContact O-CG 3.32Å; G43-K47 PolarHBondContact O-N 3.01Å; G43-K47 VanDerWaalsContact O-N 3.07Å; V44-K47 PolarHBondContact O-N 2.88Å; K47-K51 VanDerWaalsContact O-CB 3.25Å; K47-K51 WeakPolarHBondContact O-CB 3.33Å; K47-K51 PolarHBondContact O-N 3.5Å; K47-K51 VanDerWaalsContact O-N 3.07Å
48L95.1Very high93.8Very high0 Ų074.9 Ų74.90%037%0.373CS..Hα-helixtrans-66.3-48.5177.3-178.162.4000111.3V22 V24 V31 L33 V44 M45 L46 K51 L52 F92V22-L48 HydrophobicContact CB-CD1 4.31Å; V22-L48 HydrophobicContact CB-CD2 4.48Å; V22-L48 HydrophobicContact CG1-CD1 4.42Å; V22-L48 HydrophobicContact CG1-CD2 3.79Å; V24-L48 HydrophobicContact CG2-CD1 4.41Å; V31-L48 HydrophobicContact CB-CD1 3.63Å; V31-L48 HydrophobicContact CG1-CD1 3.77Å; V31-L48 HydrophobicContact CG2-CD1 3.94Å; L33-L48 HydrophobicContact CD1-CB 4Å; L33-L48 HydrophobicContact CD1-CD1 4.32Å; V44-L48 WeakPolarHBondContact O-CB 3.2Å; V44-L48 PolarHBondContact O-N 2.87Å; M45-L48 WeakPolarHBondContact O-CB 3.49Å; M45-L48 PolarHBondContact O-N 2.99Å; L46-L48 PolarHBondContact O-N 2.93Å; L48-K51 PolarHBondContact O-N 3.36Å; L48-L52 HydrophobicContact CD1-CD1 4.3Å; L48-L52 HydrophobicContact CD1-CG 4.49Å; L48-L52 HydrophobicContact CG-CD1 4.06Å; L48-L52 VanDerWaalsContact O-CG 3.29Å; L48-L52 WeakPolarHBondContact O-CG 3.47Å; L48-L52 PolarHBondContact O-N 2.9Å; L48-F92 HydrophobicContact CD2-CB 3.59Å; L48-F92 HydrophobicContact CD2-CD1 3.44Å; L48-F92 VanDerWaalsContact CD2-CD1 3.44Å; L48-F92 HydrophobicContact CD2-CD2 4Å; L48-F92 HydrophobicContact CD2-CE1 4.02Å; L48-F92 HydrophobicContact CD2-CG 3.42Å; L48-F92 VanDerWaalsContact CD2-CG 3.42Å; L48-F92 HydrophobicContact CG-CD1 4.42Å
49V94.4Very high93.7Very high46 Ų4672.1 Ų72.128%0.27937%0.37SS..Hα-helixtrans-64.2-43.9179.6173.10000111.1M45 L46 K51 L52 D53 W58 F92M45-V49 WeakPolarHBondContact O-CG2 3.4Å; M45-V49 PolarHBondContact O-N 2.92Å; L46-V49 PolarHBondContact O-N 3.35Å; V49-K51 VanDerWaalsContact C-N 3.31Å; V49-K51 PolarHBondContact O-N 2.81Å; V49-L52 PolarHBondContact O-N 3.3Å; V49-D53 PolarHBondContact O-N 2.61Å; V49-W58 HydrophobicContact CG2-CB 4.38Å; V49-W58 HydrophobicContact CG2-CD2 4.28Å; V49-W58 HydrophobicContact CG2-CG 3.96Å; V49-F92 HydrophobicContact CG2-CE1 4.46Å
50E93.8Very high93.6Very high147 Ų14772.7 Ų72.769%0.68737%0.373SS*.Hα-helixtrans-58.3-42.2174.5-73.5174.7-179.100112L46L46-E50 WeakPolarHBondContact O-CG 3.15Å; L46-E50 PolarHBondContact O-N 2.99Å
51K93.6Very high93.5Very high130 Ų13068.4 Ų68.457%0.56535%0.353SS*.Hα-helixtrans-74.3-26.7-179.4-170.8165.3-176.2171.10113.5V31 T32 L33 K47 L48 V49V31-K51 HydrophobicContact CG1-CB 4.41Å; V31-K51 HydrophobicContact CG1-CD 3.66Å; V31-K51 HydrophobicContact CG1-CG 4.02Å; T32-K51 PolarHBondContact O-NZ 2.65Å; L33-K51 HydrophobicContact CD2-CB 4.31Å; L33-K51 HydrophobicContact CD2-CD 3.61Å; K47-K51 VanDerWaalsContact O-CB 3.25Å; K47-K51 WeakPolarHBondContact O-CB 3.33Å; K47-K51 PolarHBondContact O-N 3.5Å; K47-K51 VanDerWaalsContact O-N 3.07Å; L48-K51 PolarHBondContact O-N 3.36Å; V49-K51 VanDerWaalsContact C-N 3.31Å; V49-K51 PolarHBondContact O-N 2.81Å
52L92.8Very high93.5Very high18 Ų1868.7 Ų68.79%0.09436%0.355CS..Hα-helixtrans-73.1-34.7175.9-76.1166.8000112V24 L27 V31 L48 V49 V54 W58V24-L52 HydrophobicContact CG2-CD1 3.92Å; V24-L52 HydrophobicContact CG2-CD2 4.22Å; L27-L52 HydrophobicContact CD1-CD2 4.47Å; V31-L52 HydrophobicContact CG2-CD2 3.61Å; V31-L52 HydrophobicContact CG2-CG 4.22Å; L48-L52 HydrophobicContact CD1-CD1 4.3Å; L48-L52 HydrophobicContact CD1-CG 4.49Å; L48-L52 HydrophobicContact CG-CD1 4.06Å; L48-L52 VanDerWaalsContact O-CG 3.29Å; L48-L52 WeakPolarHBondContact O-CG 3.47Å; L48-L52 PolarHBondContact O-N 2.9Å; V49-L52 PolarHBondContact O-N 3.3Å; L52-V54 WeakPolarHBondContact O-CG2 3.21Å; L52-V54 PolarHBondContact O-N 3.18Å; L52-W58 HydrophobicContact CD1-CH2 3.76Å; L52-W58 HydrophobicContact CD1-CZ2 3.87Å
53D91.6Very high93.6Very high151 Ų15167.8 Ų67.881%0.80735%0.346SS*.THydrogen-bonded Turntrans49.742.5-179.1-16428.1000113.3V49V49-D53 PolarHBondContact O-N 2.61Å
54V91.6Very high93.7Very high56 Ų5666.6 Ų66.634%0.33933%0.333SS..  trans-114.9127.1177.3-178.60000109.9L52 K56L52-V54 WeakPolarHBondContact O-CG2 3.21Å; L52-V54 PolarHBondContact O-N 3.18Å; V54-K56 HydrophobicContact CG1-CB 4.22Å; V54-K56 PolarHBondContact O-N 2.76Å
55K87.7Confident93.7Very high220 Ų22067.1 Ų67.196%0.95734%0.335SS*.  trans-7294.1170.1-66.3-175.5-179.6-178.50109.8
56K89.9Confident93.6Very high92 Ų9268.6 Ų68.640%0.434%0.342SS..  trans-143.9153.5177.5-176.2170.8-173.5165.50109.4D26 V54 W58D26-K56 WeakPolarHBondContact OD2-CE 3.35Å; D26-K56 IonicContact OD2-NZ 4Å; D26-K56 PolarHBondContact OD2-NZ 2.81Å; V54-K56 HydrophobicContact CG1-CB 4.22Å; V54-K56 PolarHBondContact O-N 2.76Å; K56-W58 HydrophobicContact CB-CZ2 4.14Å; K56-W58 HydrophobicContact CD-CH2 4.29Å; K56-W58 HydrophobicContact CD-CZ2 4.35Å; K56-W58 PolarHBondContact O-N 3.06Å; K56-W58 PolarHBondContact O-NE1 3.31Å
57D90.4Very high93.4Very high117 Ų11769.9 Ų69.963%0.62634%0.342SS*.  trans-74.9119.5167.3-17714.5000110.2S59D57-S59 VanDerWaalsContact CG-OG 3.25Å; D57-S59 WeakPolarHBondContact OD1-CB 3.14Å; D57-S59 PolarHBondContact OD1-N 3.13Å; D57-S59 PolarHBondContact OD1-OG 3.24Å; D57-S59 PolarHBondContact OD2-OG 3.19Å
58W92.4Very high93.3Very high33 Ų3372.2 Ų72.213%0.12535%0.352CS..  trans-108.85.8-179.3-61.5106.7000112.5V24 L27 V49 L52 K56 D60 H61 F92V24-W58 HydrophobicContact CG1-CH2 4.04Å; V24-W58 HydrophobicContact CG1-CZ3 4.01Å; L27-W58 HydrophobicContact CD1-CH2 3.73Å; L27-W58 HydrophobicContact CD1-CZ2 4.29Å; L27-W58 HydrophobicContact CG-CH2 4.36Å; V49-W58 HydrophobicContact CG2-CB 4.38Å; V49-W58 HydrophobicContact CG2-CD2 4.28Å; V49-W58 HydrophobicContact CG2-CG 3.96Å; L52-W58 HydrophobicContact CD1-CH2 3.76Å; L52-W58 HydrophobicContact CD1-CZ2 3.87Å; K56-W58 HydrophobicContact CB-CZ2 4.14Å; K56-W58 HydrophobicContact CD-CH2 4.29Å; K56-W58 HydrophobicContact CD-CZ2 4.35Å; K56-W58 PolarHBondContact O-N 3.06Å; K56-W58 PolarHBondContact O-NE1 3.31Å; W58-D60 PolarHBondContact O-N 3.24Å; W58-H61 HydrophobicContact CE3-CB 4.26Å; W58-H61 AromaticContact CE3-CD2 3.59Å; W58-H61 AromaticContact CE3-CE1 3.7Å; W58-H61 AromaticContact CE3-CG 3.65Å; W58-H61 AromaticContact CE3-ND1 3.74Å; W58-H61 AromaticContact CE3-NE2 3.62Å; W58-H61 AromaticContact CZ3-CD2 3.62Å; W58-H61 AromaticContact CZ3-CE1 3.98Å; W58-H61 AromaticContact CZ3-NE2 3.49Å; W58-H61 WeakPolarHBondContact CZ3-NE2 3.47Å; W58-H61 PolarHBondContact O-N 3.14Å; W58-F92 HydrophobicContact CD2-CE1 4.16Å; W58-F92 HydrophobicContact CE3-CD1 4.11Å; W58-F92 AromaticContact CE3-CE1 3.43Å; W58-F92 HydrophobicContact CE3-CE1 3.43Å; W58-F92 VanDerWaalsContact CE3-CE1 3.43Å; W58-F92 HydrophobicContact CE3-CZ 4.33Å; W58-F92 AromaticContact CZ3-CD1 4Å; W58-F92 HydrophobicContact CZ3-CD1 4Å; W58-F92 AromaticContact CZ3-CE1 3.78Å; W58-F92 HydrophobicContact CZ3-CE1 3.78Å
59S91.5Very high93.3Very high94 Ų9477.2 Ų77.266%0.65737%0.371SS*.THydrogen-bonded Turntrans-59.5-31.7-174.860.50000113.5D57D57-S59 VanDerWaalsContact CG-OG 3.25Å; D57-S59 WeakPolarHBondContact OD1-CB 3.14Å; D57-S59 PolarHBondContact OD1-N 3.13Å; D57-S59 PolarHBondContact OD1-OG 3.24Å; D57-S59 PolarHBondContact OD2-OG 3.19Å
60D93.1Very high93.3Very high33 Ų3377.6 Ų77.618%0.17637%0.374CS..THydrogen-bonded Turntrans-89.1-6.4179.4-169.237.5000113.6W58 P94 Q95 H96W58-D60 PolarHBondContact O-N 3.24Å; D60-P94 CarbonylContact O-C 3.56Å; D60-Q95 WeakPolarHBondContact O-CB 3.39Å; D60-Q95 WeakPolarHBondContact O-CG 3.45Å; D60-Q95 PolarHBondContact O-N 3.45Å; D60-Q95 PolarHBondContact O-NE2 3.3Å; D60-H96 IonicContact OD1-CE1 3.33Å; D60-H96 IonicContact OD1-CG 3.95Å; D60-H96 PolarHBondContact OD1-N 2.87Å; D60-H96 IonicContact OD1-ND1 2.66Å; D60-H96 PolarHBondContact OD1-ND1 3.33Å; D60-H96 WeakPolarHBondContact OD2-CB 3.44Å; D60-H96 IonicContact OD2-CG 3.64Å; D60-H96 PolarHBondContact OD2-N 2.75Å; D60-H96 IonicContact OD2-ND1 2.99Å
61H95.4Very high93.4Very high10 Ų1071.5 Ų71.55%0.04634%0.344CS..EExtended strand (participates in β ladder)trans-86.2136.5-176-69.866.5000112.5D26 W58 F92 T93D26-H61 VanDerWaalsContact CG-NE2 3.33Å; D26-H61 IonicContact OD1-CD2 3.45Å; D26-H61 IonicContact OD1-NE2 2.86Å; D26-H61 PolarHBondContact OD1-NE2 2.97Å; D26-H61 IonicContact OD2-CE1 2.61Å; D26-H61 PolarHBondContact OD2-CE1 2.72Å; D26-H61 IonicContact OD2-NE2 2.75Å; D26-H61 PolarHBondContact OD2-NE2 3.25Å; W58-H61 HydrophobicContact CE3-CB 4.26Å; W58-H61 AromaticContact CE3-CD2 3.59Å; W58-H61 AromaticContact CE3-CE1 3.7Å; W58-H61 AromaticContact CE3-CG 3.65Å; W58-H61 AromaticContact CE3-ND1 3.74Å; W58-H61 AromaticContact CE3-NE2 3.62Å; W58-H61 AromaticContact CZ3-CD2 3.62Å; W58-H61 AromaticContact CZ3-CE1 3.98Å; W58-H61 AromaticContact CZ3-NE2 3.49Å; W58-H61 WeakPolarHBondContact CZ3-NE2 3.47Å; W58-H61 PolarHBondContact O-N 3.14Å; H61-F92 HydrophobicContact CB-CD1 4.15Å; H61-F92 HydrophobicContact CB-CD2 4.15Å; H61-F92 HydrophobicContact CB-CE1 3.62Å; H61-F92 HydrophobicContact CB-CE2 3.61Å; H61-F92 HydrophobicContact CB-CG 4.4Å; H61-F92 HydrophobicContact CB-CZ 3.32Å; H61-T93 WeakPolarHBondContact CA-O 3.43Å
62A97.1Very high93.6Very high5 Ų565.3 Ų65.34%0.04132%0.318CS..EExtended strand (participates in β ladder)trans-135.3163.7173.300000111.3W71 L73 T93 Q95A62-W71 HydrophobicContact CB-CE3 3.97Å; A62-W71 HydrophobicContact CB-CZ3 3.9Å; A62-L73 HydrophobicContact CB-CD2 3.83Å; A62-T93 PolarHBondContact N-O 3.44Å; A62-T93 PolarHBondContact O-N 2.77Å; A62-Q95 HydrophobicContact CB-CG 3.66Å
63L97.6Very high93.7Very high0 Ų068.2 Ų68.20%033%0.333CS..EExtended strand (participates in β ladder)trans-84.7129.5176.1-69.5172.6000111V22 I41 V44 M45 L72 L90 Q91 F92V22-L63 HydrophobicContact CG1-CD2 3.82Å; I41-L63 HydrophobicContact CG2-CD1 4.18Å; V44-L63 HydrophobicContact CB-CD1 4.32Å; V44-L63 HydrophobicContact CG1-CD1 4.01Å; M45-L63 HydrophobicContact CG-CD1 4.12Å; M45-L63 HydrophobicContact CG-CG 4.24Å; L63-L72 HydrophobicContact CB-CB 4.03Å; L63-L72 HydrophobicContact CB-CD1 3.93Å; L63-L72 HydrophobicContact CB-CG 4.32Å; L63-L72 PolarHBondContact O-N 3.01Å; L63-L90 HydrophobicContact CD1-CD1 4.34Å; L63-L90 HydrophobicContact CD2-CB 4.45Å; L63-L90 HydrophobicContact CD2-CD1 4.49Å; L63-Q91 CarbonylContact C-O 3.59Å; L63-Q91 VanDerWaalsContact CA-O 3.31Å; L63-Q91 WeakPolarHBondContact CA-O 3.42Å; L63-F92 HydrophobicContact CD2-CB 4.08Å; L63-F92 HydrophobicContact CD2-CD2 3.8Å; L63-F92 HydrophobicContact CD2-CG 4.36Å; L63-F92 HydrophobicContact CG-CD2 4.14Å
64W97.4Very high93.8Very high1 Ų165.6 Ų65.60%0.00431%0.314CS..EExtended strand (participates in β ladder)trans-116.4132176.2168.4-108.9000110.6E66 R69 T70 W71 L90 Q91 T93 M260 E261W64-E66 PolarHBondContact NE1-OE2 3.38Å; W64-R69 HydrophobicContact CH2-CB 3.88Å; W64-R69 HydrophobicContact CZ2-CB 4.13Å; W64-R69 HydrophobicContact CZ2-CG 4.42Å; W64-T70 VanDerWaalsContact CE3-C 3.41Å; W64-T70 VanDerWaalsContact CZ3-C 3.42Å; W64-T70 VanDerWaalsContact CZ3-N 3.31Å; W64-W71 HydrophobicContact CB-CE3 4.12Å; W64-W71 HydrophobicContact CB-CZ3 4.09Å; W64-W71 HydrophobicContact CE3-CB 4.46Å; W64-W71 AromaticContact CE3-CD1 3.68Å; W64-W71 AromaticContact CE3-CD2 3.71Å; W64-W71 HydrophobicContact CE3-CD2 3.71Å; W64-W71 AromaticContact CE3-CE2 3.72Å; W64-W71 HydrophobicContact CE3-CE3 4.39Å; W64-W71 AromaticContact CE3-CG 3.7Å; W64-W71 HydrophobicContact CE3-CG 3.7Å; W64-W71 HydrophobicContact CE3-CZ2 4.45Å; W64-W71 AromaticContact CE3-NE1 3.64Å; W64-W71 AromaticContact CZ3-CD1 3.54Å; W64-W71 HydrophobicContact CZ3-CD2 4.36Å; W64-W71 HydrophobicContact CZ3-CG 4Å; W64-W71 AromaticContact CZ3-NE1 3.61Å; W64-L90 CarbonylContact O-C 3.58Å; W64-L90 WeakPolarHBondContact O-CA 3.37Å; W64-Q91 HydrophobicContact CB-CB 4.27Å; W64-Q91 PolarHBondContact N-O 3.37Å; W64-Q91 PolarHBondContact O-N 2.96Å; W64-T93 HydrophobicContact CB-CG2 4.21Å; W64-M260 HydrophobicContact CD2-CE 4.49Å; W64-M260 HydrophobicContact CD2-CG 3.84Å; W64-M260 HydrophobicContact CE3-CG 4.01Å; W64-M260 HydrophobicContact CG-CE 4.29Å; W64-M260 HydrophobicContact CG-CG 4.47Å; W64-M260 HydrophobicContact CH2-CB 4.18Å; W64-M260 HydrophobicContact CH2-CG 3.9Å; W64-M260 HydrophobicContact CZ2-CB 4.48Å; W64-M260 HydrophobicContact CZ2-CG 3.74Å; W64-M260 HydrophobicContact CZ3-CB 4.2Å; W64-M260 HydrophobicContact CZ3-CG 4.04Å; W64-E261 HydrophobicContact CH2-CB 4.48Å; W64-E261 HydrophobicContact CH2-CG 3.87Å; W64-E261 HydrophobicContact CZ3-CG 4.03Å
65W96.3Very high94Very high12 Ų1266.4 Ų66.45%0.04532%0.319CS..EExtended strand (participates in β ladder)trans-108.897.1176.5-169.614.1000111.4K67 K68 R69 T70 Y82 G83 I84 A88 L90W65-K67 PolarHBondContact O-N 3.03Å; W65-K68 HydrophobicContact CD2-CB 3.91Å; W65-K68 HydrophobicContact CD2-CG 3.88Å; W65-K68 HydrophobicContact CE3-CB 3.83Å; W65-K68 HydrophobicContact CE3-CG 3.75Å; W65-K68 HydrophobicContact CG-CB 4.37Å; W65-K68 HydrophobicContact CH2-CG 3.73Å; W65-K68 HydrophobicContact CZ2-CG 3.86Å; W65-K68 HydrophobicContact CZ3-CB 4.24Å; W65-K68 HydrophobicContact CZ3-CG 3.67Å; W65-K68 PolarHBondContact O-N 3.15Å; W65-R69 WeakPolarHBondContact O-CA 3.26Å; W65-R69 PolarHBondContact O-N 3.31Å; W65-T70 PolarHBondContact N-O 2.9Å; W65-T70 PolarHBondContact O-N 2.91Å; W65-Y82 WeakPolarHBondContact CZ3-O 3.13Å; W65-G83 WeakPolarHBondContact CH2-O 3.29Å; W65-I84 HydrophobicContact CD2-CG1 4.49Å; W65-I84 HydrophobicContact CE3-CG1 3.87Å; W65-I84 HydrophobicContact CH2-CG1 4.04Å; W65-I84 HydrophobicContact CZ3-CG1 3.62Å; W65-A88 HydrophobicContact CZ2-CB 3.96Å; W65-L90 HydrophobicContact CB-CD2 3.62Å; W65-L90 HydrophobicContact CD2-CD2 4.29Å; W65-L90 HydrophobicContact CG-CD2 3.6Å
66E92.9Very high94.4Very high72 Ų7262 Ų6234%0.33630%0.302SS..THydrogen-bonded Turntrans-59.1-42.5-175.3-175.964.7-152.400112.9W64 K68 R69W64-E66 PolarHBondContact NE1-OE2 3.38Å; E66-K68 VanDerWaalsContact C-N 3.28Å; E66-K68 PolarHBondContact O-N 2.85Å; E66-R69 WeakPolarHBondContact O-CG 3.49Å; E66-R69 PolarHBondContact O-N 3.45Å; E66-R69 VanDerWaalsContact O-N 3.12Å
67K92.6Very high94.7Very high141 Ų14160.3 Ų60.361%0.61329%0.293SS*.THydrogen-bonded Turntrans-59.2-38.3-176.7-171.4-176.9-178.4-174.10112.5W65 D87W65-K67 PolarHBondContact O-N 3.03Å; K67-D87 IonicContact NZ-OD2 2.57Å; K67-D87 PolarHBondContact NZ-OD2 2.94Å
68K92.4Very high95Very high138 Ų13856.5 Ų56.560%0.627%0.274SS*.THydrogen-bonded Turntrans-100.4-4.2178.6-70.7-69.3-171.4172.20113.1W65 E66 T70W65-K68 HydrophobicContact CD2-CB 3.91Å; W65-K68 HydrophobicContact CD2-CG 3.88Å; W65-K68 HydrophobicContact CE3-CB 3.83Å; W65-K68 HydrophobicContact CE3-CG 3.75Å; W65-K68 HydrophobicContact CG-CB 4.37Å; W65-K68 HydrophobicContact CH2-CG 3.73Å; W65-K68 HydrophobicContact CZ2-CG 3.86Å; W65-K68 HydrophobicContact CZ3-CB 4.24Å; W65-K68 HydrophobicContact CZ3-CG 3.67Å; W65-K68 PolarHBondContact O-N 3.15Å; E66-K68 VanDerWaalsContact C-N 3.28Å; E66-K68 PolarHBondContact O-N 2.85Å; K68-T70 PolarHBondContact O-OG1 3.5Å
69R94.4Very high95.1Very high106 Ų10654.9 Ų54.940%0.427%0.268SS..THydrogen-bonded Turntrans4859.3-173.6-61.3-173.4174.7-165.41.7111.8W64 W65 E66 E261W64-R69 HydrophobicContact CH2-CB 3.88Å; W64-R69 HydrophobicContact CZ2-CB 4.13Å; W64-R69 HydrophobicContact CZ2-CG 4.42Å; W65-R69 WeakPolarHBondContact O-CA 3.26Å; W65-R69 PolarHBondContact O-N 3.31Å; E66-R69 WeakPolarHBondContact O-CG 3.49Å; E66-R69 PolarHBondContact O-N 3.45Å; E66-R69 VanDerWaalsContact O-N 3.12Å; R69-E261 PolarHBondContact NH1-O 2.87Å; R69-E261 WeakPolarHBondContact O-CG 3.16Å
70T95Very high95.2Very high54 Ų5455.1 Ų55.133%0.33126%0.262SS..EExtended strand (participates in β ladder)trans-142.2138.4-176.7-73.10000111.3W64 W65 K68 L72W64-T70 VanDerWaalsContact CE3-C 3.41Å; W64-T70 VanDerWaalsContact CZ3-C 3.42Å; W64-T70 VanDerWaalsContact CZ3-N 3.31Å; W65-T70 PolarHBondContact N-O 2.9Å; W65-T70 PolarHBondContact O-N 2.91Å; K68-T70 PolarHBondContact O-OG1 3.5Å; T70-L72 HydrophobicContact CG2-CD2 4.49Å
71W96.6Very high95.3Very high18 Ų1859.4 Ų59.47%0.06828%0.279CS..EExtended strand (participates in β ladder)trans-81.6139.6169.4-70.698.2000111.5A62 W64 L73 T93 Q95 F115 S258 M260A62-W71 HydrophobicContact CB-CE3 3.97Å; A62-W71 HydrophobicContact CB-CZ3 3.9Å; W64-W71 HydrophobicContact CB-CE3 4.12Å; W64-W71 HydrophobicContact CB-CZ3 4.09Å; W64-W71 HydrophobicContact CE3-CB 4.46Å; W64-W71 AromaticContact CE3-CD1 3.68Å; W64-W71 AromaticContact CE3-CD2 3.71Å; W64-W71 HydrophobicContact CE3-CD2 3.71Å; W64-W71 AromaticContact CE3-CE2 3.72Å; W64-W71 HydrophobicContact CE3-CE3 4.39Å; W64-W71 AromaticContact CE3-CG 3.7Å; W64-W71 HydrophobicContact CE3-CG 3.7Å; W64-W71 HydrophobicContact CE3-CZ2 4.45Å; W64-W71 AromaticContact CE3-NE1 3.64Å; W64-W71 AromaticContact CZ3-CD1 3.54Å; W64-W71 HydrophobicContact CZ3-CD2 4.36Å; W64-W71 HydrophobicContact CZ3-CG 4Å; W64-W71 AromaticContact CZ3-NE1 3.61Å; W71-L73 HydrophobicContact CB-CD1 4.3Å; W71-L73 HydrophobicContact CB-CD2 3.98Å; W71-L73 HydrophobicContact CB-CG 3.8Å; W71-L73 HydrophobicContact CE3-CD2 4.31Å; W71-L73 PolarHBondContact O-N 2.78Å; W71-T93 HydrophobicContact CH2-CG2 3.62Å; W71-T93 HydrophobicContact CZ3-CG2 3.83Å; W71-Q95 HydrophobicContact CH2-CG 4.38Å; W71-Q95 HydrophobicContact CZ3-CG 4.13Å; W71-F115 HydrophobicContact CZ2-CB 4.31Å; W71-F115 PolarHBondContact NE1-O 3.1Å; W71-S258 PolarHBondContact NE1-OG 3.22Å; W71-M260 HydrophobicContact CZ2-CB 3.81Å; W71-M260 HydrophobicContact CZ2-CG 3.88Å
72L96.1Very high95.1Very high1 Ų161 Ų611%0.00529%0.285CS..  trans-101.565.4178.3-50177.9000109.8I41 L63 T70 Y82 I84 L90I41-L72 HydrophobicContact CD1-CB 4.22Å; I41-L72 HydrophobicContact CD1-CD1 3.96Å; I41-L72 HydrophobicContact CG1-CB 4.44Å; I41-L72 HydrophobicContact CG2-CB 4.23Å; I41-L72 WeakPolarHBondContact CG2-O 3.38Å; L63-L72 HydrophobicContact CB-CB 4.03Å; L63-L72 HydrophobicContact CB-CD1 3.93Å; L63-L72 HydrophobicContact CB-CG 4.32Å; L63-L72 PolarHBondContact O-N 3.01Å; T70-L72 HydrophobicContact CG2-CD2 4.49Å; L72-Y82 HydrophobicContact CB-CE2 4.46Å; L72-Y82 HydrophobicContact CD2-CD1 3.48Å; L72-Y82 VanDerWaalsContact CD2-CD1 3.48Å; L72-Y82 HydrophobicContact CD2-CD2 4.09Å; L72-Y82 HydrophobicContact CD2-CE1 3.64Å; L72-Y82 HydrophobicContact CD2-CE2 4.22Å; L72-Y82 HydrophobicContact CD2-CG 3.71Å; L72-I84 HydrophobicContact CD1-CD1 3.45Å; L72-I84 VanDerWaalsContact CD1-CD1 3.45Å; L72-I84 HydrophobicContact CD2-CD1 4.08Å; L72-I84 HydrophobicContact CG-CD1 4.43Å; L72-L90 HydrophobicContact CD1-CD1 3.97Å; L72-L90 HydrophobicContact CD1-CD2 4.07Å
73L94.8Very high94.9Very high79 Ų7962.7 Ų62.741%0.41430%0.303SS..  trans-81.3-19.2-174.5-54.5-179.4000113.5A62 W71 T75A62-L73 HydrophobicContact CB-CD2 3.83Å; W71-L73 HydrophobicContact CB-CD1 4.3Å; W71-L73 HydrophobicContact CB-CD2 3.98Å; W71-L73 HydrophobicContact CB-CG 3.8Å; W71-L73 HydrophobicContact CE3-CD2 4.31Å; W71-L73 PolarHBondContact O-N 2.78Å; L73-T75 PolarHBondContact O-N 2.94Å
74K95.5Very high94.8Very high95 Ų9562.7 Ų62.741%0.41330%0.303SS..  trans-83.186.9-178.2-60.6-177.5-175.9179.20110.1H76 W77 Y82K74-H76 PolarHBondContact O-N 3.31Å; K74-H76 VanDerWaalsContact O-N 3.1Å; K74-W77 HydrophobicContact CB-CB 4.18Å; K74-W77 HydrophobicContact CB-CD2 3.96Å; K74-W77 HydrophobicContact CB-CG 3.75Å; K74-W77 HydrophobicContact CD-CD2 3.57Å; K74-W77 HydrophobicContact CD-CE3 3.95Å; K74-W77 HydrophobicContact CD-CG 4.2Å; K74-W77 HydrophobicContact CD-CH2 3.83Å; K74-W77 HydrophobicContact CD-CZ2 3.41Å; K74-W77 VanDerWaalsContact CD-CZ2 3.41Å; K74-W77 HydrophobicContact CD-CZ3 4.06Å; K74-W77 HydrophobicContact CG-CD2 4.4Å; K74-W77 WeakPolarHBondContact O-CB 3.13Å; K74-W77 PolarHBondContact O-N 3.06Å; K74-Y82 HydrophobicContact CB-CE2 4.4Å; K74-Y82 WeakPolarHBondContact CB-OH 3.24Å; K74-Y82 PolarHBondContact N-OH 2.9Å
75T94.9Very high94.5Very high73 Ų7368.7 Ų68.745%0.44833%0.331SS..THydrogen-bonded Turntrans-55.3-29.8-176.756.10000114.3I41 G42 M45 L73I41-T75 PolarHBondContact N-O 2.82Å; G42-T75 PolarHBondContact N-O 2.83Å; M45-T75 HydrophobicContact SD-CG2 4.33Å; L73-T75 PolarHBondContact O-N 2.94Å
76H95.1Very high94.1Very high127 Ų12771 Ų7159%0.58835%0.353SS*.THydrogen-bonded Turntrans-82.1-10.417965-77.5000114.2H40 K74H40-H76 PolarHBondContact ND1-O 3.3Å; K74-H76 PolarHBondContact O-N 3.31Å; K74-H76 VanDerWaalsContact O-N 3.1Å
77W97.2Very high94Very high57 Ų5772.1 Ų72.122%0.21636%0.361CS..SBendtrans-78.7148.3177.6-76.518.3000111H40 I41 K74 K81 Y82H40-W77 CarbonylContact C-O 3.6Å; H40-W77 VanDerWaalsContact CA-O 3.29Å; H40-W77 WeakPolarHBondContact CA-O 3.35Å; I41-W77 WeakPolarHBondContact CG1-O 3.32Å; I41-W77 PolarHBondContact N-O 3.12Å; K74-W77 HydrophobicContact CB-CB 4.18Å; K74-W77 HydrophobicContact CB-CD2 3.96Å; K74-W77 HydrophobicContact CB-CG 3.75Å; K74-W77 HydrophobicContact CD-CD2 3.57Å; K74-W77 HydrophobicContact CD-CE3 3.95Å; K74-W77 HydrophobicContact CD-CG 4.2Å; K74-W77 HydrophobicContact CD-CH2 3.83Å; K74-W77 HydrophobicContact CD-CZ2 3.41Å; K74-W77 VanDerWaalsContact CD-CZ2 3.41Å; K74-W77 HydrophobicContact CD-CZ3 4.06Å; K74-W77 HydrophobicContact CG-CD2 4.4Å; K74-W77 WeakPolarHBondContact O-CB 3.13Å; K74-W77 PolarHBondContact O-N 3.06Å; W77-K81 HydrophobicContact CB-CD 4.26Å; W77-K81 HydrophobicContact CD2-CD 3.62Å; W77-K81 HydrophobicContact CD2-CG 4.09Å; W77-K81 VanDerWaalsContact CE2-CE 3.41Å; W77-K81 VanDerWaalsContact CE2-NZ 3.34Å; W77-K81 HydrophobicContact CE3-CD 3.97Å; W77-K81 HydrophobicContact CE3-CG 3.91Å; W77-K81 HydrophobicContact CG-CD 3.76Å; W77-K81 HydrophobicContact CG-CG 4.45Å; W77-K81 HydrophobicContact CZ2-CD 4.49Å; W77-K81 HydrophobicContact CZ3-CG 4.35Å; W77-Y82 HydrophobicContact CB-CD2 3.94Å; W77-Y82 HydrophobicContact CB-CE2 3.61Å; W77-Y82 HydrophobicContact CD2-CE2 4.2Å; W77-Y82 HydrophobicContact CE3-CD1 4.34Å; W77-Y82 HydrophobicContact CE3-CD2 4.06Å; W77-Y82 AromaticContact CE3-CE1 4Å; W77-Y82 HydrophobicContact CE3-CE1 4Å; W77-Y82 AromaticContact CE3-CE2 3.68Å; W77-Y82 HydrophobicContact CE3-CE2 3.68Å; W77-Y82 HydrophobicContact CE3-CG 4.38Å; W77-Y82 AromaticContact CE3-CZ 3.66Å; W77-Y82 HydrophobicContact CG-CE2 4.22Å; W77-Y82 HydrophobicContact CZ3-CE1 4.28Å
78T96.3Very high94Very high37 Ų3765.4 Ų65.423%0.22733%0.332CS..BIsolated β-bridgetrans-81.7159.3175.460.80000111.1G37 E38 V39 D80 K81 Y82G37-T78 WeakPolarHBondContact O-CB 3.21Å; E38-T78 WeakPolarHBondContact O-CG2 3.45Å; V39-T78 WeakPolarHBondContact O-CA 3.44Å; T78-D80 VanDerWaalsContact C-N 3.25Å; T78-D80 PolarHBondContact O-N 3.44Å; T78-K81 PolarHBondContact O-N 3.07Å; T78-K81 WeakPolarHBondContact OG1-CB 3.41Å; T78-K81 PolarHBondContact OG1-N 3.29Å; T78-Y82 PolarHBondContact O-N 2.87Å
79L94.6Very high94.1Very high0 Ų066.4 Ų66.40%034%0.336CS..Hα-helixtrans-56.9-41.3173.4-69.8174.8000111.4W18 L20 V35 G37 V39 I41 V44 K81 Y82 G83 I84W18-L79 HydrophobicContact CH2-CD1 4.06Å; W18-L79 HydrophobicContact CZ2-CD1 3.96Å; L20-L79 HydrophobicContact CD2-CD1 4.39Å; L20-L79 HydrophobicContact CD2-CD2 4.4Å; V35-L79 HydrophobicContact CB-CD1 3.94Å; V35-L79 HydrophobicContact CG1-CD1 4.45Å; V35-L79 HydrophobicContact CG2-CD1 3.72Å; G37-L79 PolarHBondContact O-N 3.02Å; V39-L79 HydrophobicContact CB-CD1 4.24Å; V39-L79 PolarHBondContact O-N 3.16Å; I41-L79 HydrophobicContact CD1-CD2 3.72Å; V44-L79 HydrophobicContact CG2-CD1 4.15Å; V44-L79 HydrophobicContact CG2-CD2 4.21Å; V44-L79 HydrophobicContact CG2-CG 4.36Å; L79-K81 VanDerWaalsContact C-N 3.33Å; L79-K81 PolarHBondContact O-N 3.27Å; L79-Y82 CarbonylContact O-C 3.57Å; L79-Y82 PolarHBondContact O-N 2.84Å; L79-G83 PolarHBondContact O-N 2.76Å; L79-I84 HydrophobicContact CB-CB 4.26Å; L79-I84 HydrophobicContact CD2-CB 4.1Å; L79-I84 HydrophobicContact CD2-CD1 3.67Å; L79-I84 HydrophobicContact CD2-CG1 4.47Å; L79-I84 HydrophobicContact CD2-CG2 4.13Å; L79-I84 PolarHBondContact O-N 2.81Å
80D93.7Very high94.2Very high98 Ų9861.4 Ų61.452%0.52432%0.317SS..Hα-helixtrans-62.7-37.5177.3-77.9-20.4000112.9G37 T78 Y82 G83G37-D80 VanDerWaalsContact C-OD2 3.29Å; G37-D80 VanDerWaalsContact CA-OD1 3.27Å; G37-D80 WeakPolarHBondContact CA-OD1 3.43Å; G37-D80 VanDerWaalsContact CA-OD2 3.3Å; G37-D80 WeakPolarHBondContact CA-OD2 3.33Å; G37-D80 PolarHBondContact O-N 2.85Å; T78-D80 VanDerWaalsContact C-N 3.25Å; T78-D80 PolarHBondContact O-N 3.44Å; D80-Y82 PolarHBondContact O-N 2.89Å; D80-G83 WeakPolarHBondContact O-CA 3.32Å; D80-G83 PolarHBondContact O-N 3.43Å
81K94.6Very high94.3Very high124 Ų12461.2 Ų61.254%0.53931%0.313SS..Hα-helixtrans-65.8-30.9178.4-171.7169.6-178-179.30112.3W77 T78 L79 G83W77-K81 HydrophobicContact CB-CD 4.26Å; W77-K81 HydrophobicContact CD2-CD 3.62Å; W77-K81 HydrophobicContact CD2-CG 4.09Å; W77-K81 VanDerWaalsContact CE2-CE 3.41Å; W77-K81 VanDerWaalsContact CE2-NZ 3.34Å; W77-K81 HydrophobicContact CE3-CD 3.97Å; W77-K81 HydrophobicContact CE3-CG 3.91Å; W77-K81 HydrophobicContact CG-CD 3.76Å; W77-K81 HydrophobicContact CG-CG 4.45Å; W77-K81 HydrophobicContact CZ2-CD 4.49Å; W77-K81 HydrophobicContact CZ3-CG 4.35Å; T78-K81 PolarHBondContact O-N 3.07Å; T78-K81 WeakPolarHBondContact OG1-CB 3.41Å; T78-K81 PolarHBondContact OG1-N 3.29Å; L79-K81 VanDerWaalsContact C-N 3.33Å; L79-K81 PolarHBondContact O-N 3.27Å; K81-G83 VanDerWaalsContact C-N 3.31Å
82Y92Very high94.3Very high44 Ų4460.4 Ų60.417%0.17331%0.31CS..Hα-helixtrans-82.6-9.2170.2-84.2-72.2000113I41 W65 L72 K74 W77 T78 L79 D80 I84I41-Y82 HydrophobicContact CD1-CD2 4.09Å; I41-Y82 HydrophobicContact CD1-CE2 4.42Å; I41-Y82 HydrophobicContact CG1-CD2 3.87Å; I41-Y82 HydrophobicContact CG1-CE2 3.81Å; W65-Y82 WeakPolarHBondContact CZ3-O 3.13Å; L72-Y82 HydrophobicContact CB-CE2 4.46Å; L72-Y82 HydrophobicContact CD2-CD1 3.48Å; L72-Y82 VanDerWaalsContact CD2-CD1 3.48Å; L72-Y82 HydrophobicContact CD2-CD2 4.09Å; L72-Y82 HydrophobicContact CD2-CE1 3.64Å; L72-Y82 HydrophobicContact CD2-CE2 4.22Å; L72-Y82 HydrophobicContact CD2-CG 3.71Å; K74-Y82 HydrophobicContact CB-CE2 4.4Å; K74-Y82 WeakPolarHBondContact CB-OH 3.24Å; K74-Y82 PolarHBondContact N-OH 2.9Å; W77-Y82 HydrophobicContact CB-CD2 3.94Å; W77-Y82 HydrophobicContact CB-CE2 3.61Å; W77-Y82 HydrophobicContact CD2-CE2 4.2Å; W77-Y82 HydrophobicContact CE3-CD1 4.34Å; W77-Y82 HydrophobicContact CE3-CD2 4.06Å; W77-Y82 AromaticContact CE3-CE1 4Å; W77-Y82 HydrophobicContact CE3-CE1 4Å; W77-Y82 AromaticContact CE3-CE2 3.68Å; W77-Y82 HydrophobicContact CE3-CE2 3.68Å; W77-Y82 HydrophobicContact CE3-CG 4.38Å; W77-Y82 AromaticContact CE3-CZ 3.66Å; W77-Y82 HydrophobicContact CG-CE2 4.22Å; W77-Y82 HydrophobicContact CZ3-CE1 4.28Å; T78-Y82 PolarHBondContact O-N 2.87Å; L79-Y82 CarbonylContact O-C 3.57Å; L79-Y82 PolarHBondContact O-N 2.84Å; D80-Y82 PolarHBondContact O-N 2.89Å; Y82-I84 VanDerWaalsContact C-N 3.34Å
83G93.8Very high94.3Very high40 Ų4060.5 Ų60.541%0.41231%0.31SS..THydrogen-bonded Turntrans7226.8-175.900000113.4W65 L79 D80 K81W65-G83 WeakPolarHBondContact CH2-O 3.29Å; L79-G83 PolarHBondContact O-N 2.76Å; D80-G83 WeakPolarHBondContact O-CA 3.32Å; D80-G83 PolarHBondContact O-N 3.43Å; K81-G83 VanDerWaalsContact C-N 3.31Å
84I94.4Very high94.4Very high0 Ų057.9 Ų57.90%030%0.298CS..  trans-81125.1-179.9-58.5170000108.6W18 L20 I41 W65 L72 L79 Y82 A88W18-I84 HydrophobicContact CH2-CG2 3.89Å; L20-I84 HydrophobicContact CD1-CG2 4.17Å; I41-I84 HydrophobicContact CD1-CD1 4.19Å; W65-I84 HydrophobicContact CD2-CG1 4.49Å; W65-I84 HydrophobicContact CE3-CG1 3.87Å; W65-I84 HydrophobicContact CH2-CG1 4.04Å; W65-I84 HydrophobicContact CZ3-CG1 3.62Å; L72-I84 HydrophobicContact CD1-CD1 3.45Å; L72-I84 VanDerWaalsContact CD1-CD1 3.45Å; L72-I84 HydrophobicContact CD2-CD1 4.08Å; L72-I84 HydrophobicContact CG-CD1 4.43Å; L79-I84 HydrophobicContact CB-CB 4.26Å; L79-I84 HydrophobicContact CD2-CB 4.1Å; L79-I84 HydrophobicContact CD2-CD1 3.67Å; L79-I84 HydrophobicContact CD2-CG1 4.47Å; L79-I84 HydrophobicContact CD2-CG2 4.13Å; L79-I84 PolarHBondContact O-N 2.81Å; Y82-I84 VanDerWaalsContact C-N 3.34Å; I84-A88 HydrophobicContact CG2-CB 3.5Å; I84-A88 VanDerWaalsContact CG2-CB 3.5Å
85Q90.8Very high94.4Very high127 Ų12755.1 Ų55.159%0.59329%0.286SS*.  trans-123.9-178.7-179.2-62-178.90.300110.5W18 D87 A88W18-Q85 WeakPolarHBondContact CZ3-O 3.46Å; Q85-D87 PolarHBondContact O-N 3.28Å; Q85-D87 VanDerWaalsContact O-N 3.09Å; Q85-A88 WeakPolarHBondContact O-CB 3.45Å; Q85-A88 PolarHBondContact O-N 3.33Å
86A88.8Confident94.4Very high61 Ų6153.4 Ų53.450%0.50427%0.273SS..THydrogen-bonded Turntrans-58.2-23-175.100000115.7W18 A88W18-A86 HydrophobicContact CB-CB 3.89Å; W18-A86 HydrophobicContact CD2-CB 4.11Å; W18-A86 VanDerWaalsContact CE3-CA 3.4Å; W18-A86 HydrophobicContact CE3-CB 4.01Å; W18-A86 HydrophobicContact CG-CB 4.09Å; A86-A88 VanDerWaalsContact C-N 3.32Å
87D89.4Confident94.3Very high94 Ų9448 Ų4850%0.50325%0.248SC..THydrogen-bonded Turntrans-86.4-3178.575.7-44000113.4K67 Q85K67-D87 IonicContact NZ-OD2 2.57Å; K67-D87 PolarHBondContact NZ-OD2 2.94Å; Q85-D87 PolarHBondContact O-N 3.28Å; Q85-D87 VanDerWaalsContact O-N 3.09Å
88A92.9Very high94.1Very high1 Ų147.5 Ų47.51%0.00825%0.249CC..  trans-73.5130.5-178.500000111.6L20 W65 I84 Q85 A86L20-A88 HydrophobicContact CD1-CB 4.49Å; W65-A88 HydrophobicContact CZ2-CB 3.96Å; I84-A88 HydrophobicContact CG2-CB 3.5Å; I84-A88 VanDerWaalsContact CG2-CB 3.5Å; Q85-A88 WeakPolarHBondContact O-CB 3.45Å; Q85-A88 PolarHBondContact O-N 3.33Å; A86-A88 VanDerWaalsContact C-N 3.32Å
89K94.5Very high94Very high158 Ų15845.8 Ų45.869%0.68724%0.239SC*.EExtended strand (participates in β ladder)trans-108.6117.8169.8-62.9-176.5180-175.60108.6
90L96.7Very high93.9Very high2 Ų247.2 Ų47.21%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-104.7157.3179.5-56.8-175.8000110.5L20 S21 V22 H23 L63 W64 W65 L72L20-L90 HydrophobicContact CD1-CD1 3.86Å; L20-L90 HydrophobicContact CD1-CG 4Å; L20-L90 HydrophobicContact CD2-CD1 3.95Å; L20-L90 HydrophobicContact CG-CD1 4.29Å; S21-L90 PolarHBondContact O-N 2.65Å; V22-L90 CarbonylContact C-O 3.54Å; V22-L90 WeakPolarHBondContact CA-O 3.41Å; V22-L90 HydrophobicContact CG1-CB 4.43Å; V22-L90 HydrophobicContact CG2-CB 4.34Å; H23-L90 PolarHBondContact N-O 3.46Å; L63-L90 HydrophobicContact CD1-CD1 4.34Å; L63-L90 HydrophobicContact CD2-CB 4.45Å; L63-L90 HydrophobicContact CD2-CD1 4.49Å; W64-L90 CarbonylContact O-C 3.58Å; W64-L90 WeakPolarHBondContact O-CA 3.37Å; W65-L90 HydrophobicContact CB-CD2 3.62Å; W65-L90 HydrophobicContact CD2-CD2 4.29Å; W65-L90 HydrophobicContact CG-CD2 3.6Å; L72-L90 HydrophobicContact CD1-CD1 3.97Å; L72-L90 HydrophobicContact CD1-CD2 4.07Å
91Q97.1Very high93.9Very high50 Ų5042.5 Ų42.523%0.23422%0.219CC..EExtended strand (participates in β ladder)trans-115.1138.2168.7-66.4177.5-1.800108.7H23 T25 L63 W64H23-Q91 HydrophobicContact CB-CG 4.38Å; H23-Q91 CarbonylContact O-C 3.59Å; H23-Q91 VanDerWaalsContact O-CA 3.23Å; H23-Q91 WeakPolarHBondContact O-CA 3.44Å; T25-Q91 HydrophobicContact CG2-CB 4.16Å; T25-Q91 HydrophobicContact CG2-CG 4.42Å; L63-Q91 CarbonylContact C-O 3.59Å; L63-Q91 VanDerWaalsContact CA-O 3.31Å; L63-Q91 WeakPolarHBondContact CA-O 3.42Å; W64-Q91 HydrophobicContact CB-CB 4.27Å; W64-Q91 PolarHBondContact N-O 3.37Å; W64-Q91 PolarHBondContact O-N 2.96Å
92F97.3Very high93.8Very high1 Ų137.3 Ų37.30%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-105.4111.4167.2-168.3-126.9000107.6V22 H23 V24 T25 M45 L48 V49 W58 H61 L63V22-F92 HydrophobicContact CG1-CB 3.78Å; H23-F92 PolarHBondContact O-N 3.24Å; V24-F92 WeakPolarHBondContact CA-O 3.35Å; V24-F92 HydrophobicContact CG2-CB 4.33Å; T25-F92 PolarHBondContact N-O 2.73Å; T25-F92 VanDerWaalsContact N-O 3.1Å; M45-F92 HydrophobicContact CE-CE2 4.11Å; M45-F92 HydrophobicContact CG-CE2 4.16Å; L48-F92 HydrophobicContact CD2-CB 3.59Å; L48-F92 HydrophobicContact CD2-CD1 3.44Å; L48-F92 VanDerWaalsContact CD2-CD1 3.44Å; L48-F92 HydrophobicContact CD2-CD2 4Å; L48-F92 HydrophobicContact CD2-CE1 4.02Å; L48-F92 HydrophobicContact CD2-CG 3.42Å; L48-F92 VanDerWaalsContact CD2-CG 3.42Å; L48-F92 HydrophobicContact CG-CD1 4.42Å; V49-F92 HydrophobicContact CG2-CE1 4.46Å; W58-F92 HydrophobicContact CD2-CE1 4.16Å; W58-F92 HydrophobicContact CE3-CD1 4.11Å; W58-F92 AromaticContact CE3-CE1 3.43Å; W58-F92 HydrophobicContact CE3-CE1 3.43Å; W58-F92 VanDerWaalsContact CE3-CE1 3.43Å; W58-F92 HydrophobicContact CE3-CZ 4.33Å; W58-F92 AromaticContact CZ3-CD1 4Å; W58-F92 HydrophobicContact CZ3-CD1 4Å; W58-F92 AromaticContact CZ3-CE1 3.78Å; W58-F92 HydrophobicContact CZ3-CE1 3.78Å; H61-F92 HydrophobicContact CB-CD1 4.15Å; H61-F92 HydrophobicContact CB-CD2 4.15Å; H61-F92 HydrophobicContact CB-CE1 3.62Å; H61-F92 HydrophobicContact CB-CE2 3.61Å; H61-F92 HydrophobicContact CB-CG 4.4Å; H61-F92 HydrophobicContact CB-CZ 3.32Å; L63-F92 HydrophobicContact CD2-CB 4.08Å; L63-F92 HydrophobicContact CD2-CD2 3.8Å; L63-F92 HydrophobicContact CD2-CG 4.36Å; L63-F92 HydrophobicContact CG-CD2 4.14Å
93T96.6Very high93.8Very high3 Ų335.3 Ų35.32%0.01819%0.189CC..EExtended strand (participates in β ladder)trans-144.5146.7-164.4-164.60000111.3T25 H61 A62 W64 W71 Q95 K97T25-T93 WeakPolarHBondContact OG1-CA 3.42Å; T25-T93 VanDerWaalsContact OG1-CB 3.23Å; T25-T93 WeakPolarHBondContact OG1-CB 3.34Å; T25-T93 PolarHBondContact OG1-OG1 2.71Å; H61-T93 WeakPolarHBondContact CA-O 3.43Å; A62-T93 PolarHBondContact N-O 3.44Å; A62-T93 PolarHBondContact O-N 2.77Å; W64-T93 HydrophobicContact CB-CG2 4.21Å; W71-T93 HydrophobicContact CH2-CG2 3.62Å; W71-T93 HydrophobicContact CZ3-CG2 3.83Å; T93-Q95 PolarHBondContact O-N 3.28Å; T93-K97 PolarHBondContact OG1-NZ 2.85Å
94P95.9Very high93.8Very high24 Ų2433.6 Ų33.616%0.15617%0.17CC..EExtended strand (participates in β ladder)trans-58.3135.5173.6-22.531.7000111.2D60 K97D60-P94 CarbonylContact O-C 3.56Å; P94-K97 VanDerWaalsContact O-CE 3.27Å; P94-K97 WeakPolarHBondContact O-CE 3.37Å; P94-K97 PolarHBondContact O-NZ 3.15Å
95Q95.3Very high93.5Very high36 Ų3634.5 Ų34.517%0.16818%0.175CC..SBendtrans-71.8-41.2174.8-68.8171.7100.600110.3D60 A62 W71 T93 F115 S116D60-Q95 WeakPolarHBondContact O-CB 3.39Å; D60-Q95 WeakPolarHBondContact O-CG 3.45Å; D60-Q95 PolarHBondContact O-N 3.45Å; D60-Q95 PolarHBondContact O-NE2 3.3Å; A62-Q95 HydrophobicContact CB-CG 3.66Å; W71-Q95 HydrophobicContact CH2-CG 4.38Å; W71-Q95 HydrophobicContact CZ3-CG 4.13Å; T93-Q95 PolarHBondContact O-N 3.28Å; Q95-F115 WeakPolarHBondContact O-CB 3.43Å; Q95-F115 PolarHBondContact O-N 3.38Å; Q95-S116 PolarHBondContact OE1-OG 3.4Å; Q95-S116 VanDerWaalsContact OE1-OG 3.06Å
96H94.8Very high93.3Very high38 Ų3829.9 Ų29.918%0.17615%0.154CC..EExtended strand (participates in β ladder)trans-84.1117.9176.9-66.278.6000111.2D60 K112 V113D60-H96 IonicContact OD1-CE1 3.33Å; D60-H96 IonicContact OD1-CG 3.95Å; D60-H96 PolarHBondContact OD1-N 2.87Å; D60-H96 IonicContact OD1-ND1 2.66Å; D60-H96 PolarHBondContact OD1-ND1 3.33Å; D60-H96 WeakPolarHBondContact OD2-CB 3.44Å; D60-H96 IonicContact OD2-CG 3.64Å; D60-H96 PolarHBondContact OD2-N 2.75Å; D60-H96 IonicContact OD2-ND1 2.99Å; H96-K112 HydrophobicContact CB-CD 4.13Å; H96-K112 HydrophobicContact CB-CG 4.06Å; H96-K112 WeakPolarHBondContact O-CE 3.47Å; H96-V113 VanDerWaalsContact CA-O 3.3Å; H96-V113 WeakPolarHBondContact CA-O 3.04Å
97K94.3Very high93.2Very high13 Ų1328.9 Ų28.96%0.05714%0.138CC..EExtended strand (participates in β ladder)trans-126.2153.6179.8-55.4-177.2-175.8-55.40110.8T93 P94 K112 V113 F115 E266T93-K97 PolarHBondContact OG1-NZ 2.85Å; P94-K97 VanDerWaalsContact O-CE 3.27Å; P94-K97 WeakPolarHBondContact O-CE 3.37Å; P94-K97 PolarHBondContact O-NZ 3.15Å; K97-K112 WeakPolarHBondContact O-CA 3.46Å; K97-V113 PolarHBondContact N-O 3.35Å; K97-V113 PolarHBondContact O-N 3.35Å; K97-F115 HydrophobicContact CB-CD1 4.48Å; K97-F115 HydrophobicContact CB-CD2 3.7Å; K97-F115 HydrophobicContact CB-CE1 4.41Å; K97-F115 HydrophobicContact CB-CE2 3.63Å; K97-F115 HydrophobicContact CB-CG 4.14Å; K97-F115 HydrophobicContact CB-CZ 4Å; K97-F115 HydrophobicContact CD-CB 4.36Å; K97-F115 HydrophobicContact CD-CD1 3.86Å; K97-F115 HydrophobicContact CD-CD2 4.4Å; K97-F115 HydrophobicContact CD-CE1 4.2Å; K97-F115 HydrophobicContact CD-CG 3.96Å; K97-F115 HydrophobicContact CG-CD2 4.21Å; K97-F115 HydrophobicContact CG-CG 4.2Å; K97-E266 HydrophobicContact CB-CB 4.24Å; K97-E266 HydrophobicContact CB-CG 4.09Å; K97-E266 HydrophobicContact CD-CB 4.37Å
98L92.8Very high93.1Very high46 Ų4624.7 Ų24.724%0.24112%0.116CC..EExtended strand (participates in β ladder)trans-66.8139.1176.1-68.3173.6000111.1V111 K112 L170 E266 N267L98-V111 CarbonylContact C-O 3.59Å; L98-K112 HydrophobicContact CD2-CB 4.21Å; L98-K112 HydrophobicContact CD2-CG 4.32Å; L98-L170 HydrophobicContact CD2-CD1 3.4Å; L98-L170 HydrophobicContact CD2-CD2 3.76Å; L98-L170 HydrophobicContact CD2-CG 4.2Å; L98-E266 HydrophobicContact CB-CG 4.13Å; L98-E266 PolarHBondContact N-OE1 2.78Å; L98-N267 WeakPolarHBondContact CB-OD1 3.42Å; L98-N267 PolarHBondContact O-N 3.32Å
99L92.7Very high92.8Very high1 Ų125.3 Ų25.31%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-140.2137.2176.9-173.572.8000108.9L101 V111 V113 F115 L259 V264 E268 L270L99-L101 HydrophobicContact CD2-CD2 3.6Å; L99-L101 HydrophobicContact CD2-CG 4.22Å; L99-L101 HydrophobicContact CG-CD2 4.17Å; L99-V111 HydrophobicContact CB-CG2 4.11Å; L99-V111 PolarHBondContact N-O 3.46Å; L99-V111 PolarHBondContact O-N 3.42Å; L99-V111 VanDerWaalsContact O-O 3.13Å; L99-V113 HydrophobicContact CB-CG2 3.84Å; L99-V113 HydrophobicContact CD2-CG2 3.77Å; L99-V113 HydrophobicContact CG-CG2 4.43Å; L99-F115 HydrophobicContact CB-CE2 4.37Å; L99-F115 HydrophobicContact CD1-CZ 4.17Å; L99-L259 HydrophobicContact CD2-CD1 4.37Å; L99-V264 HydrophobicContact CD1-CG1 3.94Å; L99-E268 WeakPolarHBondContact CD1-O 3.38Å; L99-L270 HydrophobicContact CD1-CD1 3.86Å; L99-L270 HydrophobicContact CD1-CG 4.02Å; L99-L270 HydrophobicContact CD2-CD1 4.07Å
100R93.1Very high92.4Very high30 Ų3022 Ų2211%0.11311%0.105CC..EExtended strand (participates in β ladder)trans-96.7118.9172.8-71.2-178.8-65.4147.74.3108.9K110 D161 E165 N267 E268 A269 L270R100-K110 HydrophobicContact CG-CG 3.94Å; R100-D161 IonicContact NH1-OD2 3.98Å; R100-E165 WeakPolarHBondContact CD-OE1 3.42Å; R100-N267 PolarHBondContact NE-O 3.24Å; R100-N267 PolarHBondContact NH2-O 3.26Å; R100-E268 PolarHBondContact N-O 3.32Å; R100-A269 HydrophobicContact CB-CB 4.17Å; R100-A269 CarbonylContact O-C 3.53Å; R100-A269 VanDerWaalsContact O-CA 3.24Å; R100-A269 WeakPolarHBondContact O-CA 3.49Å; R100-L270 PolarHBondContact O-N 3.05Å
101L93Very high92Very high0 Ų022 Ų220%011%0.105CC..EExtended strand (participates in β ladder)trans-102.7117.4177.5-67.7180000109.8L99 L103 Y108 V109 V111 I126 F130 L140 L270L99-L101 HydrophobicContact CD2-CD2 3.6Å; L99-L101 HydrophobicContact CD2-CG 4.22Å; L99-L101 HydrophobicContact CG-CD2 4.17Å; L101-L103 PolarHBondContact O-N 3.43Å; L101-Y108 CarbonylContact O-C 3.58Å; L101-Y108 WeakPolarHBondContact O-CA 3.18Å; L101-V109 PolarHBondContact N-O 2.85Å; L101-V109 PolarHBondContact O-N 3.18Å; L101-V111 HydrophobicContact CD1-CB 4.49Å; L101-V111 HydrophobicContact CD1-CG1 4.12Å; L101-V111 HydrophobicContact CD1-CG2 3.52Å; L101-V111 HydrophobicContact CG-CG2 3.74Å; L101-I126 HydrophobicContact CD1-CD1 3.88Å; L101-I126 HydrophobicContact CD1-CG1 4.2Å; L101-I126 HydrophobicContact CD1-CG2 3.71Å; L101-F130 HydrophobicContact CD1-CE2 4.3Å; L101-L140 HydrophobicContact CD2-CD2 3.69Å; L101-L270 CarbonylContact C-O 3.6Å; L101-L270 WeakPolarHBondContact CA-O 3.48Å; L101-L270 HydrophobicContact CD2-CB 4.23Å
102Q93.5Very high91.7Very high14 Ų1422.9 Ų22.97%0.06511%0.108CC..EExtended strand (participates in β ladder)trans-80.6113.3165-160177.322.900109M106 K107 Y108 L270 L271 L272 R273Q102-M106 PolarHBondContact NE2-O 3.35Å; Q102-M106 VanDerWaalsContact NE2-O 3.13Å; Q102-K107 CarbonylContact C-O 3.59Å; Q102-K107 WeakPolarHBondContact CA-O 3.32Å; Q102-Y108 HydrophobicContact CB-CD1 3.85Å; Q102-Y108 HydrophobicContact CB-CE1 3.45Å; Q102-Y108 VanDerWaalsContact CB-CE1 3.45Å; Q102-Y108 VanDerWaalsContact CD-OH 3.23Å; Q102-Y108 HydrophobicContact CG-CD1 4.18Å; Q102-Y108 HydrophobicContact CG-CE1 3.69Å; Q102-Y108 HydrophobicContact CG-CE2 4.2Å; Q102-Y108 PolarHBondContact NE2-OH 3.45Å; Q102-Y108 PolarHBondContact OE1-OH 3.09Å; Q102-L270 PolarHBondContact N-O 2.95Å; Q102-L271 HydrophobicContact CB-CD2 3.62Å; Q102-L271 HydrophobicContact CG-CD2 4.26Å; Q102-L272 PolarHBondContact O-N 2.94Å; Q102-R273 PolarHBondContact O-NH1 2.89Å
103L92.9Very high91.5Very high3 Ų323 Ų232%0.01611%0.108CC..  trans-72.8165.1175.9-62.2-177.2000111.3L101 N105 M106 K107 V109 F130 L221 L272 R273L101-L103 PolarHBondContact O-N 3.43Å; L103-N105 WeakPolarHBondContact CB-OD1 3.46Å; L103-N105 PolarHBondContact O-N 3.05Å; L103-M106 PolarHBondContact O-N 3.47Å; L103-K107 PolarHBondContact N-O 3.2Å; L103-V109 HydrophobicContact CD1-CG2 3.76Å; L103-V109 HydrophobicContact CG-CG2 4.18Å; L103-F130 HydrophobicContact CD2-CD2 4.19Å; L103-F130 HydrophobicContact CD2-CE2 3.73Å; L103-F130 HydrophobicContact CD2-CZ 4.5Å; L103-L221 HydrophobicContact CD1-CD1 4.26Å; L103-L221 HydrophobicContact CD1-CD2 3.38Å; L103-L221 HydrophobicContact CD1-CG 4.44Å; L103-L272 HydrophobicContact CD2-CB 4.47Å; L103-L272 HydrophobicContact CD2-CD2 3.87Å; L103-R273 PolarHBondContact O-NH1 3.18Å; L103-R273 PolarHBondContact O-NH2 3.24Å
104P93.8Very high91.4Very high3 Ų323.9 Ų23.92%0.01911%0.113CC..THydrogen-bonded Turntrans-57-28.1175-30.538.2000115M106 L272 F274 Q293 Q297P104-M106 PolarHBondContact O-N 2.93Å; P104-L272 VanDerWaalsContact CD-O 3.31Å; P104-L272 WeakPolarHBondContact CD-O 3.4Å; P104-L272 WeakPolarHBondContact CG-O 3.4Å; P104-F274 HydrophobicContact CG-CD2 4.41Å; P104-F274 HydrophobicContact CG-CE2 4.27Å; P104-Q293 HydrophobicContact CB-CB 4.3Å; P104-Q293 VanDerWaalsContact CB-O 3.23Å; P104-Q293 WeakPolarHBondContact CB-O 3.45Å; P104-Q293 HydrophobicContact CG-CB 4.14Å; P104-Q297 HydrophobicContact CB-CB 3.99Å
105N87.4Confident91.5Very high19 Ų1922.7 Ų22.710%0.10211%0.106CC..THydrogen-bonded Turntrans-74.79.1172.272.23.2000114.7L103 K107 Q293 E296L103-N105 WeakPolarHBondContact CB-OD1 3.46Å; L103-N105 PolarHBondContact O-N 3.05Å; N105-K107 PolarHBondContact O-N 2.96Å; N105-K107 WeakPolarHBondContact OD1-CB 3.3Å; N105-K107 PolarHBondContact OD1-N 3.22Å; N105-K107 VanDerWaalsContact OD1-N 3.07Å; N105-Q293 PolarHBondContact ND2-NE2 2.6Å; N105-E296 HydrophobicContact CB-CB 3.97Å; N105-E296 HydrophobicContact CB-CG 3.72Å
106M87.4Confident91.5Very high30 Ų3021.6 Ų21.615%0.14810%0.102CC..SBendtrans70.8-0179.4-55.1-64.5-78.600116.3Q102 L103 P104 M236 R273 W300Q102-M106 PolarHBondContact NE2-O 3.35Å; Q102-M106 VanDerWaalsContact NE2-O 3.13Å; L103-M106 PolarHBondContact O-N 3.47Å; P104-M106 PolarHBondContact O-N 2.93Å; M106-M236 HydrophobicContact CE-CE 3.7Å; M106-M236 HydrophobicContact CE-SD 4.03Å; M106-R273 PolarHBondContact SD-NH2 3.46Å; M106-W300 HydrophobicContact CB-CZ2 4.37Å; M106-W300 HydrophobicContact CG-CD2 3.73Å; M106-W300 VanDerWaalsContact CG-CE2 3.41Å; M106-W300 HydrophobicContact CG-CE3 4.45Å; M106-W300 HydrophobicContact CG-CG 3.91Å; M106-W300 HydrophobicContact CG-CZ2 3.89Å; M106-W300 HydrophobicContact SD-CG 4.5Å
107K86.5Confident91.5Very high40 Ų4021.7 Ų21.717%0.17410%0.104CC..  trans-81.1154.5175.3-59.7-64-174.9170.60112Q102 L103 N105 L166Q102-K107 CarbonylContact C-O 3.59Å; Q102-K107 WeakPolarHBondContact CA-O 3.32Å; L103-K107 PolarHBondContact N-O 3.2Å; N105-K107 PolarHBondContact O-N 2.96Å; N105-K107 WeakPolarHBondContact OD1-CB 3.3Å; N105-K107 PolarHBondContact OD1-N 3.22Å; N105-K107 VanDerWaalsContact OD1-N 3.07Å; K107-L166 HydrophobicContact CB-CD1 3.71Å; K107-L166 HydrophobicContact CB-CG 3.97Å; K107-L166 HydrophobicContact CG-CD1 4.33Å; K107-L166 HydrophobicContact CG-CG 4.37Å
108Y86.4Confident91.6Very high7 Ų726.9 Ų26.93%0.02712%0.123CC..EExtended strand (participates in β ladder)trans-101.6139.5175.1-66.6-87.3000111.9L101 Q102 K143 D161 L164 L166 A269L101-Y108 CarbonylContact O-C 3.58Å; L101-Y108 WeakPolarHBondContact O-CA 3.18Å; Q102-Y108 HydrophobicContact CB-CD1 3.85Å; Q102-Y108 HydrophobicContact CB-CE1 3.45Å; Q102-Y108 VanDerWaalsContact CB-CE1 3.45Å; Q102-Y108 VanDerWaalsContact CD-OH 3.23Å; Q102-Y108 HydrophobicContact CG-CD1 4.18Å; Q102-Y108 HydrophobicContact CG-CE1 3.69Å; Q102-Y108 HydrophobicContact CG-CE2 4.2Å; Q102-Y108 PolarHBondContact NE2-OH 3.45Å; Q102-Y108 PolarHBondContact OE1-OH 3.09Å; Y108-K143 VanDerWaalsContact CZ-NZ 3.3Å; Y108-K143 WeakPolarHBondContact OH-CE 3.45Å; Y108-K143 PolarHBondContact OH-NZ 3.31Å; Y108-D161 HydrophobicContact CD2-CB 4.27Å; Y108-D161 WeakPolarHBondContact CD2-O 3.4Å; Y108-D161 HydrophobicContact CE2-CB 3.94Å; Y108-D161 VanDerWaalsContact CE2-OD1 3.24Å; Y108-D161 WeakPolarHBondContact CE2-OD1 3.3Å; Y108-D161 PolarHBondContact OH-OD1 3.48Å; Y108-L164 HydrophobicContact CD2-CB 3.89Å; Y108-L164 HydrophobicContact CE2-CB 4.17Å; Y108-L164 HydrophobicContact CE2-CD1 4.48Å; Y108-L164 PolarHBondContact N-O 2.8Å; Y108-L166 PolarHBondContact O-N 2.85Å; Y108-A269 HydrophobicContact CE1-CB 4.29Å
109V86.6Confident91.8Very high14 Ų1424.7 Ų24.79%0.08511%0.111CC..EExtended strand (participates in β ladder)trans-125131.5170.4-178.10000108.7L101 L103 V111 F130 L166 I171L101-V109 PolarHBondContact N-O 2.85Å; L101-V109 PolarHBondContact O-N 3.18Å; L103-V109 HydrophobicContact CD1-CG2 3.76Å; L103-V109 HydrophobicContact CG-CG2 4.18Å; V109-V111 HydrophobicContact CG1-CG1 3.98Å; V109-F130 HydrophobicContact CB-CZ 4.33Å; V109-F130 HydrophobicContact CG1-CE1 4.22Å; V109-F130 HydrophobicContact CG1-CZ 4Å; V109-L166 HydrophobicContact CG2-CD1 3.73Å; V109-I171 HydrophobicContact CG1-CD1 3.73Å
110K87.4Confident92Very high89 Ų8925 Ų2539%0.38711%0.113SC..EExtended strand (participates in β ladder)trans-84.2122.1171.7-75.6174.5-177.9153.60109.1R100 E165 L170R100-K110 HydrophobicContact CG-CG 3.94Å; K110-E165 VanDerWaalsContact CE-CD 3.43Å; K110-E165 WeakPolarHBondContact CE-OE1 3.32Å; K110-E165 WeakPolarHBondContact CE-OE2 3.45Å; K110-E165 IonicContact NZ-OE1 3.96Å; K110-E165 PolarHBondContact NZ-OE1 3.18Å; K110-E165 IonicContact NZ-OE2 3.96Å; K110-E165 PolarHBondContact NZ-OE2 2.84Å; K110-L170 HydrophobicContact CB-CD1 4.14Å
111V87.9Confident92.1Very high0 Ų026.9 Ų26.90%012%0.122CC..EExtended strand (participates in β ladder)trans-126.1145.6176.6-59.40000109.7L98 L99 L101 V109 V113 F130 I171 P173L98-V111 CarbonylContact C-O 3.59Å; L99-V111 HydrophobicContact CB-CG2 4.11Å; L99-V111 PolarHBondContact N-O 3.46Å; L99-V111 PolarHBondContact O-N 3.42Å; L99-V111 VanDerWaalsContact O-O 3.13Å; L101-V111 HydrophobicContact CD1-CB 4.49Å; L101-V111 HydrophobicContact CD1-CG1 4.12Å; L101-V111 HydrophobicContact CD1-CG2 3.52Å; L101-V111 HydrophobicContact CG-CG2 3.74Å; V109-V111 HydrophobicContact CG1-CG1 3.98Å; V111-V113 HydrophobicContact CB-CG1 4.1Å; V111-V113 HydrophobicContact CG2-CG1 3.58Å; V111-F130 HydrophobicContact CG1-CE1 4.46Å; V111-F130 HydrophobicContact CG1-CZ 3.9Å; V111-I171 CarbonylContact C-O 3.51Å; V111-I171 VanDerWaalsContact CA-O 3.26Å; V111-I171 WeakPolarHBondContact CA-O 3.26Å; V111-I171 HydrophobicContact CG1-CB 4.2Å; V111-P173 HydrophobicContact CB-CG 4.43Å
112K90.4Very high92.2Very high69 Ų6927.1 Ų27.130%0.312%0.123SC..EExtended strand (participates in β ladder)trans-102.6101.5172-161-169.3178.7-172.40108.3H96 K97 L98 L170 I171 T172 P173H96-K112 HydrophobicContact CB-CD 4.13Å; H96-K112 HydrophobicContact CB-CG 4.06Å; H96-K112 WeakPolarHBondContact O-CE 3.47Å; K97-K112 WeakPolarHBondContact O-CA 3.46Å; L98-K112 HydrophobicContact CD2-CB 4.21Å; L98-K112 HydrophobicContact CD2-CG 4.32Å; K112-L170 HydrophobicContact CB-CD2 4.4Å; K112-I171 PolarHBondContact N-O 3.06Å; K112-T172 HydrophobicContact CB-CG2 4.25Å; K112-T172 WeakPolarHBondContact O-CA 3.43Å; K112-T172 WeakPolarHBondContact O-CG2 3.48Å; K112-P173 WeakPolarHBondContact O-CD 3.38Å
113V93.4Very high92.3Very high3 Ų326.5 Ų26.52%0.01812%0.121CC..EExtended strand (participates in β ladder)trans-111.4154.5-171.9-66.60000111.1H96 K97 L99 V111 F115 I126 P173 L259H96-V113 VanDerWaalsContact CA-O 3.3Å; H96-V113 WeakPolarHBondContact CA-O 3.04Å; K97-V113 PolarHBondContact N-O 3.35Å; K97-V113 PolarHBondContact O-N 3.35Å; L99-V113 HydrophobicContact CB-CG2 3.84Å; L99-V113 HydrophobicContact CD2-CG2 3.77Å; L99-V113 HydrophobicContact CG-CG2 4.43Å; V111-V113 HydrophobicContact CB-CG1 4.1Å; V111-V113 HydrophobicContact CG2-CG1 3.58Å; V113-F115 HydrophobicContact CG2-CD2 3.97Å; V113-F115 HydrophobicContact CG2-CE2 3.67Å; V113-F115 WeakPolarHBondContact O-CD2 3.28Å; V113-F115 PolarHBondContact O-N 3.45Å; V113-I126 HydrophobicContact CG1-CD1 4Å; V113-I126 HydrophobicContact CG1-CG1 3.88Å; V113-P173 HydrophobicContact CG1-CG 3.95Å; V113-L259 HydrophobicContact CG2-CD1 3.75Å
114N94.6Very high92.3Very high22 Ų2226.5 Ų26.512%0.11812%0.121CC..EExtended strand (participates in β ladder)trans-73.2113.5175.6-171.5-11.2000111S116 D117N114-S116 VanDerWaalsContact C-N 3.26Å; N114-S116 PolarHBondContact ND2-OG 3.21Å; N114-S116 PolarHBondContact O-N 2.92Å; N114-S116 WeakPolarHBondContact OD1-CB 3.3Å; N114-S116 PolarHBondContact OD1-N 3.28Å; N114-S116 PolarHBondContact OD1-OG 2.96Å; N114-D117 HydrophobicContact CB-CB 4.21Å; N114-D117 WeakPolarHBondContact CB-OD2 3.48Å; N114-D117 PolarHBondContact ND2-OD2 2.89Å; N114-D117 PolarHBondContact OD1-N 3.33Å
115F96.9Very high92.1Very high0 Ų027.3 Ų27.30%013%0.125CC..SBendtrans-80.2-6178.8-87.3-130.4000113.4W71 Q95 K97 L99 V113 S258 L259 M260 V264W71-F115 HydrophobicContact CZ2-CB 4.31Å; W71-F115 PolarHBondContact NE1-O 3.1Å; Q95-F115 WeakPolarHBondContact O-CB 3.43Å; Q95-F115 PolarHBondContact O-N 3.38Å; K97-F115 HydrophobicContact CB-CD1 4.48Å; K97-F115 HydrophobicContact CB-CD2 3.7Å; K97-F115 HydrophobicContact CB-CE1 4.41Å; K97-F115 HydrophobicContact CB-CE2 3.63Å; K97-F115 HydrophobicContact CB-CG 4.14Å; K97-F115 HydrophobicContact CB-CZ 4Å; K97-F115 HydrophobicContact CD-CB 4.36Å; K97-F115 HydrophobicContact CD-CD1 3.86Å; K97-F115 HydrophobicContact CD-CD2 4.4Å; K97-F115 HydrophobicContact CD-CE1 4.2Å; K97-F115 HydrophobicContact CD-CG 3.96Å; K97-F115 HydrophobicContact CG-CD2 4.21Å; K97-F115 HydrophobicContact CG-CG 4.2Å; L99-F115 HydrophobicContact CB-CE2 4.37Å; L99-F115 HydrophobicContact CD1-CZ 4.17Å; V113-F115 HydrophobicContact CG2-CD2 3.97Å; V113-F115 HydrophobicContact CG2-CE2 3.67Å; V113-F115 WeakPolarHBondContact O-CD2 3.28Å; V113-F115 PolarHBondContact O-N 3.45Å; F115-S258 WeakPolarHBondContact O-CB 3.48Å; F115-S258 PolarHBondContact O-OG 2.95Å; F115-L259 HydrophobicContact CB-CB 4.36Å; F115-L259 HydrophobicContact CD1-CB 3.82Å; F115-L259 HydrophobicContact CD2-CB 4.35Å; F115-L259 HydrophobicContact CD2-CD1 3.74Å; F115-L259 HydrophobicContact CE1-CB 4.2Å; F115-L259 HydrophobicContact CE2-CD1 3.81Å; F115-L259 HydrophobicContact CG-CB 3.91Å; F115-L259 HydrophobicContact CG-CD1 4.16Å; F115-L259 HydrophobicContact CZ-CD1 4.3Å; F115-M260 HydrophobicContact CB-CB 4.43Å; F115-M260 HydrophobicContact CD1-SD 4.4Å; F115-M260 PolarHBondContact O-N 3.47Å; F115-V264 HydrophobicContact CE1-CB 4.29Å; F115-V264 HydrophobicContact CE1-CG1 3.92Å; F115-V264 HydrophobicContact CZ-CG1 4.1Å
116S95.9Very high92.3Very high13 Ų1326.4 Ų26.49%0.09112%0.12CC..SBendtrans-93-24.4175.179.10000113.6Q95 N114 S258Q95-S116 PolarHBondContact OE1-OG 3.4Å; Q95-S116 VanDerWaalsContact OE1-OG 3.06Å; N114-S116 VanDerWaalsContact C-N 3.26Å; N114-S116 PolarHBondContact ND2-OG 3.21Å; N114-S116 PolarHBondContact O-N 2.92Å; N114-S116 WeakPolarHBondContact OD1-CB 3.3Å; N114-S116 PolarHBondContact OD1-N 3.28Å; N114-S116 PolarHBondContact OD1-OG 2.96Å; S116-S258 WeakPolarHBondContact O-CB 2.92Å
117D95.8Very high92.5Very high39 Ų3925 Ų2521%0.20911%0.114CC..SBendtrans-68.2149174.8-79.4-31.6000111.2N114 K121 S258N114-D117 HydrophobicContact CB-CB 4.21Å; N114-D117 WeakPolarHBondContact CB-OD2 3.48Å; N114-D117 PolarHBondContact ND2-OD2 2.89Å; N114-D117 PolarHBondContact OD1-N 3.33Å; D117-K121 HydrophobicContact CB-CD 4.43Å; D117-K121 HydrophobicContact CB-CG 4.44Å; D117-S258 VanDerWaalsContact O-CA 3.25Å; D117-S258 WeakPolarHBondContact O-CA 3.48Å; D117-S258 WeakPolarHBondContact O-CB 3.38Å
118R95.9Very high92.5Very high122 Ų12229.7 Ų29.746%0.4613%0.134SC..BIsolated β-bridgetrans-60.4143.3170.1-63.8-178.6-176.3168.91.6109.5F120 K121 A122 S256 Y688R118-F120 PolarHBondContact O-N 2.85Å; R118-K121 PolarHBondContact O-N 2.78Å; R118-A122 PolarHBondContact O-N 3.45Å; R118-S256 WeakPolarHBondContact CD-O 3.49Å; R118-Y688 HydrophobicContact CB-CE1 4.37Å; R118-Y688 VanDerWaalsContact CD-CE1 3.46Å; R118-Y688 VanDerWaalsContact NH1-CG 3.33Å
119V97.3Very high92.5Very high0 Ų030.6 Ų30.60%014%0.14CC..Hα-helixtrans-56.2-37.1-176.8164.50000112.2K121 A122 V123 L140 L253 S255 R257 L259V119-K121 PolarHBondContact O-N 2.86Å; V119-A122 PolarHBondContact O-N 2.8Å; V119-V123 HydrophobicContact CG1-CG2 4.11Å; V119-V123 WeakPolarHBondContact O-CB 3.43Å; V119-V123 VanDerWaalsContact O-CG2 3.25Å; V119-V123 WeakPolarHBondContact O-CG2 2.9Å; V119-V123 PolarHBondContact O-N 2.95Å; V119-L140 HydrophobicContact CG1-CD1 4.38Å; V119-L253 HydrophobicContact CG1-CB 4.13Å; V119-L253 HydrophobicContact CG2-CB 4.29Å; V119-L253 HydrophobicContact CG2-CD1 4.06Å; V119-S255 PolarHBondContact N-O 3.34Å; V119-R257 WeakPolarHBondContact CG2-O 3.4Å; V119-R257 PolarHBondContact N-O 3.19Å; V119-L259 HydrophobicContact CG2-CD2 3.77Å; V119-L259 HydrophobicContact CG2-CG 4.18Å
120F96.3Very high92.4Very high9 Ų930.1 Ų30.14%0.03914%0.137CC..Hα-helixtrans-56.9-48.3175.8-168.5-106.6000112.6R118 V123 S124 E136 S255 L682 E684 F687 Y688R118-F120 PolarHBondContact O-N 2.85Å; F120-V123 PolarHBondContact O-N 3.49Å; F120-S124 PolarHBondContact O-N 3.02Å; F120-E136 HydrophobicContact CE2-CB 3.99Å; F120-E136 HydrophobicContact CZ-CB 3.93Å; F120-S255 WeakPolarHBondContact CB-O 3.35Å; F120-S255 PolarHBondContact N-O 3.01Å; F120-L682 HydrophobicContact CE1-CD2 3.67Å; F120-L682 HydrophobicContact CE1-CG 4.35Å; F120-L682 HydrophobicContact CZ-CD2 3.68Å; F120-L682 HydrophobicContact CZ-CG 4.31Å; F120-E684 HydrophobicContact CD1-CG 4.39Å; F120-E684 HydrophobicContact CE1-CB 4.29Å; F120-E684 HydrophobicContact CE1-CG 4.02Å; F120-F687 HydrophobicContact CB-CD1 4.5Å; F120-F687 HydrophobicContact CB-CE1 4.13Å; F120-F687 HydrophobicContact CD1-CD1 4.13Å; F120-F687 HydrophobicContact CD1-CE1 4.49Å; F120-F687 AromaticContact CD2-CD1 3.74Å; F120-F687 HydrophobicContact CD2-CD1 3.74Å; F120-F687 HydrophobicContact CD2-CD2 4.45Å; F120-F687 AromaticContact CD2-CE1 3.41Å; F120-F687 HydrophobicContact CD2-CE1 3.41Å; F120-F687 VanDerWaalsContact CD2-CE1 3.41Å; F120-F687 HydrophobicContact CD2-CE2 4.16Å; F120-F687 HydrophobicContact CD2-CG 4.26Å; F120-F687 AromaticContact CD2-CZ 3.64Å; F120-F687 HydrophobicContact CD2-CZ 3.64Å; F120-F687 HydrophobicContact CE1-CB 4.5Å; F120-F687 HydrophobicContact CE1-CD1 4.23Å; F120-F687 HydrophobicContact CE1-CG 4.34Å; F120-F687 AromaticContact CE2-CD1 3.86Å; F120-F687 HydrophobicContact CE2-CD1 3.86Å; F120-F687 AromaticContact CE2-CD2 3.88Å; F120-F687 HydrophobicContact CE2-CD2 3.88Å; F120-F687 AromaticContact CE2-CE1 3.83Å; F120-F687 HydrophobicContact CE2-CE1 3.83Å; F120-F687 AromaticContact CE2-CE2 3.85Å; F120-F687 HydrophobicContact CE2-CE2 3.85Å; F120-F687 AromaticContact CE2-CG 3.88Å; F120-F687 HydrophobicContact CE2-CG 3.88Å; F120-F687 AromaticContact CE2-CZ 3.82Å; F120-F687 HydrophobicContact CE2-CZ 3.82Å; F120-F687 AromaticContact CG-CD1 3.87Å; F120-F687 HydrophobicContact CG-CD1 3.87Å; F120-F687 AromaticContact CG-CE1 3.77Å; F120-F687 HydrophobicContact CG-CE1 3.77Å; F120-F687 HydrophobicContact CG-CZ 4.44Å; F120-F687 HydrophobicContact CZ-CB 4.29Å; F120-F687 HydrophobicContact CZ-CD1 4.08Å; F120-F687 HydrophobicContact CZ-CD2 4.19Å; F120-F687 AromaticContact CZ-CG 3.91Å; F120-F687 HydrophobicContact CZ-CG 3.91Å; F120-Y688 HydrophobicContact CB-CE1 4.14Å
121K94.4Very high92.2Very high69 Ų6929.9 Ų29.930%0.314%0.14SC..Hα-helixtrans-64.9-45.8176.3172.1169.2167.845.40111.5D117 R118 V119 V123 S124 D125D117-K121 HydrophobicContact CB-CD 4.43Å; D117-K121 HydrophobicContact CB-CG 4.44Å; R118-K121 PolarHBondContact O-N 2.78Å; V119-K121 PolarHBondContact O-N 2.86Å; K121-V123 VanDerWaalsContact C-N 3.28Å; K121-V123 PolarHBondContact O-N 3.25Å; K121-S124 WeakPolarHBondContact O-CB 3.49Å; K121-S124 PolarHBondContact O-N 3.14Å; K121-S124 VanDerWaalsContact O-N 3.13Å; K121-D125 IonicContact NZ-OD1 2.76Å; K121-D125 IonicContact NZ-OD2 2.62Å; K121-D125 PolarHBondContact NZ-OD2 2.92Å; K121-D125 PolarHBondContact O-N 2.81Å
122A94.8Very high92.2Very high4 Ų430.3 Ų30.33%0.03314%0.142CC..Hα-helixtrans-58.1-42.1177.800000111.5R118 V119 D125 I126R118-A122 PolarHBondContact O-N 3.45Å; V119-A122 PolarHBondContact O-N 2.8Å; A122-D125 PolarHBondContact O-N 2.97Å; A122-I126 WeakPolarHBondContact O-CB 3.31Å; A122-I126 VanDerWaalsContact O-CD1 3.3Å; A122-I126 WeakPolarHBondContact O-CD1 3.17Å; A122-I126 WeakPolarHBondContact O-CG1 3.41Å; A122-I126 PolarHBondContact O-N 3.08Å
123V96.4Very high92.1Very high2 Ų229.8 Ų29.81%0.01214%0.138CC..Hα-helixtrans-65.4-43174.8171.40000111.6V119 F120 K121 D125 I126 C127 L138 L140V119-V123 HydrophobicContact CG1-CG2 4.11Å; V119-V123 WeakPolarHBondContact O-CB 3.43Å; V119-V123 VanDerWaalsContact O-CG2 3.25Å; V119-V123 WeakPolarHBondContact O-CG2 2.9Å; V119-V123 PolarHBondContact O-N 2.95Å; F120-V123 PolarHBondContact O-N 3.49Å; K121-V123 VanDerWaalsContact C-N 3.28Å; K121-V123 PolarHBondContact O-N 3.25Å; V123-D125 VanDerWaalsContact C-N 3.31Å; V123-D125 PolarHBondContact O-N 3.16Å; V123-I126 PolarHBondContact O-N 3.29Å; V123-C127 WeakPolarHBondContact O-CB 3.37Å; V123-C127 PolarHBondContact O-N 2.9Å; V123-C127 PolarHBondContact O-SG 3.47Å; V123-L138 HydrophobicContact CG1-CB 4.23Å; V123-L140 HydrophobicContact CG2-CD1 4.15Å; V123-L140 HydrophobicContact CG2-CD2 4.38Å; V123-L140 HydrophobicContact CG2-CG 3.72Å
124S93.1Very high92.1Very high3 Ų331.5 Ų31.52%0.02115%0.146CC..Hα-helixtrans-55.6-47.2173.3153.50000111.4F120 K121 C127 K128F120-S124 PolarHBondContact O-N 3.02Å; K121-S124 WeakPolarHBondContact O-CB 3.49Å; K121-S124 PolarHBondContact O-N 3.14Å; K121-S124 VanDerWaalsContact O-N 3.13Å; S124-C127 PolarHBondContact O-N 2.93Å; S124-K128 WeakPolarHBondContact O-CB 3.29Å; S124-K128 VanDerWaalsContact O-CG 3.27Å; S124-K128 WeakPolarHBondContact O-CG 3.36Å; S124-K128 PolarHBondContact O-N 2.95Å; S124-K128 WeakPolarHBondContact OG-CE 3.39Å; S124-K128 PolarHBondContact OG-NZ 3.12Å
125D90.1Very high92.1Very high19 Ų1931.3 Ų31.310%0.10215%0.146CC..Hα-helixtrans-68.8-40.2-178.6-64.2-20.9000111.5K121 A122 V123 C127 K128 T129 P173K121-D125 IonicContact NZ-OD1 2.76Å; K121-D125 IonicContact NZ-OD2 2.62Å; K121-D125 PolarHBondContact NZ-OD2 2.92Å; K121-D125 PolarHBondContact O-N 2.81Å; A122-D125 PolarHBondContact O-N 2.97Å; V123-D125 VanDerWaalsContact C-N 3.31Å; V123-D125 PolarHBondContact O-N 3.16Å; D125-C127 PolarHBondContact O-N 3.46Å; D125-K128 PolarHBondContact O-N 2.74Å; D125-K128 IonicContact OD1-NZ 3.38Å; D125-T129 PolarHBondContact O-N 3.48Å; D125-T129 PolarHBondContact O-OG1 2.84Å; D125-T129 VanDerWaalsContact O-OG1 3.09Å; D125-P173 HydrophobicContact CB-CB 4.18Å
126I91.3Very high92Very high1 Ų131.7 Ų31.71%0.00515%0.148CC..Hα-helixtrans-57.8-48.9171.7-69.3158.4000110.9L101 V113 A122 V123 T129 F130 P173 L272L101-I126 HydrophobicContact CD1-CD1 3.88Å; L101-I126 HydrophobicContact CD1-CG1 4.2Å; L101-I126 HydrophobicContact CD1-CG2 3.71Å; V113-I126 HydrophobicContact CG1-CD1 4Å; V113-I126 HydrophobicContact CG1-CG1 3.88Å; A122-I126 WeakPolarHBondContact O-CB 3.31Å; A122-I126 VanDerWaalsContact O-CD1 3.3Å; A122-I126 WeakPolarHBondContact O-CD1 3.17Å; A122-I126 WeakPolarHBondContact O-CG1 3.41Å; A122-I126 PolarHBondContact O-N 3.08Å; V123-I126 PolarHBondContact O-N 3.29Å; I126-T129 PolarHBondContact O-N 3.03Å; I126-F130 HydrophobicContact CG2-CD2 3.72Å; I126-F130 HydrophobicContact CG2-CE2 3.48Å; I126-F130 VanDerWaalsContact CG2-CE2 3.48Å; I126-F130 HydrophobicContact CG2-CZ 4.25Å; I126-F130 WeakPolarHBondContact O-CG 3.49Å; I126-F130 PolarHBondContact O-N 3.03Å; I126-P173 HydrophobicContact CG1-CB 4.47Å; I126-P173 HydrophobicContact CG1-CG 4.1Å; I126-L272 HydrophobicContact CG2-CD2 4.25Å
127C90.7Very high92Very high1 Ų131.1 Ų31.11%0.00714%0.144CC..Hα-helixtrans-65.9-39.4-178.1-68.70000111.8V123 S124 D125 T129 F130 N131 I132 P135V123-C127 WeakPolarHBondContact O-CB 3.37Å; V123-C127 PolarHBondContact O-N 2.9Å; V123-C127 PolarHBondContact O-SG 3.47Å; S124-C127 PolarHBondContact O-N 2.93Å; D125-C127 PolarHBondContact O-N 3.46Å; C127-T129 VanDerWaalsContact C-N 3.33Å; C127-T129 PolarHBondContact O-N 2.84Å; C127-F130 CarbonylContact O-C 3.55Å; C127-F130 PolarHBondContact O-N 2.91Å; C127-N131 PolarHBondContact O-N 3.25Å; C127-I132 HydrophobicContact CB-CB 4.07Å; C127-I132 HydrophobicContact CB-CG2 4.46Å; C127-I132 PolarHBondContact O-N 3.38Å; C127-P135 HydrophobicContact CB-CB 3.76Å
128K87.5Confident92.1Very high138 Ų13829.5 Ų29.560%0.614%0.135SC*.Hα-helixtrans-57.9-46.1173.1-75.7171.2-172.4170.90111S124 D125 F130 N131S124-K128 WeakPolarHBondContact O-CB 3.29Å; S124-K128 VanDerWaalsContact O-CG 3.27Å; S124-K128 WeakPolarHBondContact O-CG 3.36Å; S124-K128 PolarHBondContact O-N 2.95Å; S124-K128 WeakPolarHBondContact OG-CE 3.39Å; S124-K128 PolarHBondContact OG-NZ 3.12Å; D125-K128 PolarHBondContact O-N 2.74Å; D125-K128 IonicContact OD1-NZ 3.38Å; K128-F130 VanDerWaalsContact C-N 3.32Å; K128-F130 PolarHBondContact O-N 2.65Å; K128-N131 PolarHBondContact O-N 2.89Å; K128-N131 VanDerWaalsContact O-N 3.12Å
129T85.3Confident92.3Very high26 Ų2623.8 Ų23.816%0.1611%0.114CC..Hα-helixtrans-64.2-36177.4-55.20000112.7D125 I126 C127 N131 I171 S211D125-T129 PolarHBondContact O-N 3.48Å; D125-T129 PolarHBondContact O-OG1 2.84Å; D125-T129 VanDerWaalsContact O-OG1 3.09Å; I126-T129 PolarHBondContact O-N 3.03Å; C127-T129 VanDerWaalsContact C-N 3.33Å; C127-T129 PolarHBondContact O-N 2.84Å; T129-N131 VanDerWaalsContact C-N 3.27Å; T129-N131 PolarHBondContact O-N 2.94Å; T129-I171 HydrophobicContact CG2-CG2 3.36Å; T129-S211 PolarHBondContact O-OG 2.85Å
130F84.6Confident92.3Very high3 Ų323.8 Ų23.81%0.01311%0.114CC..THydrogen-bonded Turntrans-83.54.1175.3-63.2-22.4000114.4L101 L103 V109 V111 I126 C127 K128 I132 I171 L213 L221 L272 I289L101-F130 HydrophobicContact CD1-CE2 4.3Å; L103-F130 HydrophobicContact CD2-CD2 4.19Å; L103-F130 HydrophobicContact CD2-CE2 3.73Å; L103-F130 HydrophobicContact CD2-CZ 4.5Å; V109-F130 HydrophobicContact CB-CZ 4.33Å; V109-F130 HydrophobicContact CG1-CE1 4.22Å; V109-F130 HydrophobicContact CG1-CZ 4Å; V111-F130 HydrophobicContact CG1-CE1 4.46Å; V111-F130 HydrophobicContact CG1-CZ 3.9Å; I126-F130 HydrophobicContact CG2-CD2 3.72Å; I126-F130 HydrophobicContact CG2-CE2 3.48Å; I126-F130 VanDerWaalsContact CG2-CE2 3.48Å; I126-F130 HydrophobicContact CG2-CZ 4.25Å; I126-F130 WeakPolarHBondContact O-CG 3.49Å; I126-F130 PolarHBondContact O-N 3.03Å; C127-F130 CarbonylContact O-C 3.55Å; C127-F130 PolarHBondContact O-N 2.91Å; K128-F130 VanDerWaalsContact C-N 3.32Å; K128-F130 PolarHBondContact O-N 2.65Å; F130-I132 VanDerWaalsContact C-N 3.3Å; F130-I132 HydrophobicContact CB-CD1 4.03Å; F130-I132 HydrophobicContact CB-CG1 4.12Å; F130-I132 PolarHBondContact O-N 2.86Å; F130-I171 HydrophobicContact CE1-CD1 3.78Å; F130-L213 HydrophobicContact CD1-CD1 4.15Å; F130-L221 HydrophobicContact CB-CD1 4.45Å; F130-L221 HydrophobicContact CD1-CD1 4.02Å; F130-L221 HydrophobicContact CG-CD1 4.23Å; F130-L272 HydrophobicContact CD2-CD2 4.27Å; F130-L272 HydrophobicContact CE2-CD2 4.33Å; F130-I289 WeakPolarHBondContact O-CD1 3.46Å
131N82.7Confident92.3Very high85 Ų8523.8 Ų23.846%0.45511%0.114SC..THydrogen-bonded Turntrans52.346.8-175.7-170.730.2000112.8C127 K128 T129 I289C127-N131 PolarHBondContact O-N 3.25Å; K128-N131 PolarHBondContact O-N 2.89Å; K128-N131 VanDerWaalsContact O-N 3.12Å; T129-N131 VanDerWaalsContact C-N 3.27Å; T129-N131 PolarHBondContact O-N 2.94Å; N131-I289 HydrophobicContact CB-CD1 4.03Å
132I88.3Confident92.3Very high8 Ų823.3 Ų23.34%0.04111%0.112CC..  trans-105.9110.1172.7-62.4174.3000107.6C127 F130 L138 I289 R290C127-I132 HydrophobicContact CB-CB 4.07Å; C127-I132 HydrophobicContact CB-CG2 4.46Å; C127-I132 PolarHBondContact O-N 3.38Å; F130-I132 VanDerWaalsContact C-N 3.3Å; F130-I132 HydrophobicContact CB-CD1 4.03Å; F130-I132 HydrophobicContact CB-CG1 4.12Å; F130-I132 PolarHBondContact O-N 2.86Å; I132-L138 HydrophobicContact CG2-CD1 3.92Å; I132-L138 HydrophobicContact CG2-CD2 4.29Å; I132-I289 HydrophobicContact CD1-CG2 4.38Å; I132-I289 HydrophobicContact CG1-CG2 3.92Å; I132-R290 HydrophobicContact CG2-CB 4.07Å; I132-R290 HydrophobicContact CG2-CG 4.1Å
133R89.5Confident91.9Very high58 Ų5825.7 Ų25.722%0.21912%0.122CC..SBendtrans-69162.5172.3-62.9-164.6-56.91381.7111.4D281 D287 R290R133-D281 IonicContact CZ-OD2 3.45Å; R133-D281 IonicContact NH1-OD2 2.73Å; R133-D281 PolarHBondContact NH1-OD2 2.81Å; R133-D281 PolarHBondContact NH2-O 3.41Å; R133-D281 IonicContact NH2-OD2 3.36Å; R133-D281 PolarHBondContact NH2-OD2 2.83Å; R133-D287 IonicContact CZ-OD1 2.64Å; R133-D287 IonicContact CZ-OD2 2.73Å; R133-D287 IonicContact NE-OD1 3.66Å; R133-D287 PolarHBondContact NE-OD1 3.07Å; R133-D287 IonicContact NE-OD2 3.41Å; R133-D287 VanDerWaalsContact NH2-CG 3.28Å; R133-D287 IonicContact NH2-OD1 3.44Å; R133-D287 PolarHBondContact NH2-OD1 2.66Å; R133-D287 IonicContact NH2-OD2 2.66Å; R133-D287 PolarHBondContact NH2-OD2 3.15Å; R133-R290 WeakPolarHBondContact O-CD 3.28Å; R133-R290 PolarHBondContact O-NE 2.86Å
134H92.4Very high91Very high39 Ų3929.6 Ų29.618%0.18115%0.147CC..  trans55.358.8178.3-62.3-70.3000113.6E136 E137 F280 R290H134-E136 WeakPolarHBondContact CA-OE2 3.48Å; H134-E136 WeakPolarHBondContact CB-OE1 3.26Å; H134-E136 IonicContact CG-OE1 3.64Å; H134-E136 IonicContact ND1-OE1 2.73Å; H134-E136 PolarHBondContact ND1-OE1 3.4Å; H134-E136 PolarHBondContact O-N 3.47Å; H134-E136 VanDerWaalsContact O-N 3.12Å; H134-E137 HydrophobicContact CB-CG 4.39Å; H134-E137 PolarHBondContact O-N 3.37Å; H134-F280 AromaticContact CE1-CD1 3.69Å; H134-F280 AromaticContact NE2-CD1 3.94Å; H134-R290 PolarHBondContact CD2-NH1 3.49Å
135P94.8Very high89.3Confident19 Ų1937.7 Ų37.712%0.12318%0.177CC..G310 helixtrans-60.8-21.3-177.727.6-36.4000113.8C127 E137 L138 L682C127-P135 HydrophobicContact CB-CB 3.76Å; P135-E137 PolarHBondContact O-N 3.36Å; P135-E137 VanDerWaalsContact O-N 3.13Å; P135-L138 PolarHBondContact O-N 3.15Å; P135-L682 HydrophobicContact CG-CD2 4.15Å
136E94.9Very high87.3Confident8 Ų840.7 Ų40.74%0.03719%0.193CC..G310 helixtrans-62.3-16.3178.369.7-82-173.600114.1F120 H134 Y276 F670 L671 R674 L682F120-E136 HydrophobicContact CE2-CB 3.99Å; F120-E136 HydrophobicContact CZ-CB 3.93Å; H134-E136 WeakPolarHBondContact CA-OE2 3.48Å; H134-E136 WeakPolarHBondContact CB-OE1 3.26Å; H134-E136 IonicContact CG-OE1 3.64Å; H134-E136 IonicContact ND1-OE1 2.73Å; H134-E136 PolarHBondContact ND1-OE1 3.4Å; H134-E136 PolarHBondContact O-N 3.47Å; H134-E136 VanDerWaalsContact O-N 3.12Å; E136-Y276 VanDerWaalsContact O-CD2 3.27Å; E136-Y276 WeakPolarHBondContact O-CD2 3.42Å; E136-F670 HydrophobicContact CB-CE1 3.97Å; E136-F670 HydrophobicContact CG-CE1 4.09Å; E136-L671 HydrophobicContact CB-CD2 4.13Å; E136-L671 HydrophobicContact CG-CD2 3.35Å; E136-R674 WeakPolarHBondContact OE1-CD 3.3Å; E136-R674 IonicContact OE1-CZ 3.49Å; E136-R674 IonicContact OE1-NH1 2.84Å; E136-R674 PolarHBondContact OE1-NH1 3.19Å; E136-L682 HydrophobicContact CB-CD1 3.92Å; E136-L682 HydrophobicContact CB-CD2 4.47Å; E136-L682 HydrophobicContact CG-CD1 3.99Å
137E96.7Very high85Confident0 Ų045.3 Ų45.30%022%0.223CC..G310 helixtrans-83.5-15.6175.5-61.4175.4179.200112.6H134 P135 F274 K275 Y276 F279 F280 R290 L671 R674H134-E137 HydrophobicContact CB-CG 4.39Å; H134-E137 PolarHBondContact O-N 3.37Å; P135-E137 PolarHBondContact O-N 3.36Å; P135-E137 VanDerWaalsContact O-N 3.13Å; E137-F274 CarbonylContact O-C 3.53Å; E137-K275 PolarHBondContact O-N 3.29Å; E137-Y276 PolarHBondContact O-N 3.34Å; E137-Y276 VanDerWaalsContact O-N 3.16Å; E137-F279 WeakPolarHBondContact OE1-CA 3.46Å; E137-F280 PolarHBondContact OE1-N 3.05Å; E137-R290 IonicContact OE1-NH2 2.78Å; E137-R290 PolarHBondContact OE1-NH2 2.93Å; E137-R290 IonicContact OE2-CZ 3.52Å; E137-R290 IonicContact OE2-NE 3.83Å; E137-R290 IonicContact OE2-NH2 2.72Å; E137-R290 PolarHBondContact OE2-NH2 2.91Å; E137-L671 HydrophobicContact CG-CD2 4.39Å; E137-R674 IonicContact OE1-CZ 2.65Å; E137-R674 IonicContact OE1-NH1 2.74Å; E137-R674 PolarHBondContact OE1-NH1 3.35Å; E137-R674 IonicContact OE1-NH2 2.91Å
138L98Very high82.7Confident6 Ų650.8 Ų50.83%0.03126%0.257CS..EExtended strand (participates in β ladder)trans-108.1156.3-176.9-6292000111V123 I132 P135 L272 R273 F274V123-L138 HydrophobicContact CG1-CB 4.23Å; I132-L138 HydrophobicContact CG2-CD1 3.92Å; I132-L138 HydrophobicContact CG2-CD2 4.29Å; P135-L138 PolarHBondContact O-N 3.15Å; L138-L272 HydrophobicContact CB-CD1 4.18Å; L138-L272 HydrophobicContact CD2-CD1 4.18Å; L138-L272 HydrophobicContact CD2-CD2 4.45Å; L138-L272 HydrophobicContact CD2-CG 4.19Å; L138-R273 WeakPolarHBondContact CA-O 3.2Å; L138-F274 HydrophobicContact CD1-CD1 4.04Å; L138-F274 HydrophobicContact CD1-CE1 3.86Å; L138-F274 HydrophobicContact CD2-CD1 4.36Å; L138-F274 HydrophobicContact CD2-CE1 4.17Å; L138-F274 HydrophobicContact CD2-CE2 4.37Å; L138-F274 HydrophobicContact CD2-CZ 4.18Å; L138-F274 HydrophobicContact CG-CD1 3.88Å; L138-F274 HydrophobicContact CG-CE1 4.02Å; L138-F274 HydrophobicContact CG-CG 4.28Å
139S98.3Very high80.8Confident1 Ų148.2 Ų48.21%0.00725%0.245CC..EExtended strand (participates in β ladder)trans-157.4179.5169.4-165.60000110.6R273S139-R273 PolarHBondContact N-O 2.79Å; S139-R273 PolarHBondContact O-N 3.03Å
140L97.9Very high78.8Confident0 Ų055.2 Ų55.20%027%0.274CS..EExtended strand (participates in β ladder)trans-99.2133.9178.7-61.5176.6000110.9L101 V119 V123 L253 L259 L270 L271 L272L101-L140 HydrophobicContact CD2-CD2 3.69Å; V119-L140 HydrophobicContact CG1-CD1 4.38Å; V123-L140 HydrophobicContact CG2-CD1 4.15Å; V123-L140 HydrophobicContact CG2-CD2 4.38Å; V123-L140 HydrophobicContact CG2-CG 3.72Å; L140-L253 HydrophobicContact CB-CD1 3.8Å; L140-L253 HydrophobicContact CB-CG 4.14Å; L140-L253 HydrophobicContact CD1-CD1 4.29Å; L140-L253 PolarHBondContact O-N 2.81Å; L140-L259 HydrophobicContact CD1-CD2 3.93Å; L140-L270 HydrophobicContact CB-CD1 4.33Å; L140-L270 HydrophobicContact CD1-CD1 4.04Å; L140-L271 WeakPolarHBondContact CA-O 3.44Å; L140-L272 HydrophobicContact CD2-CB 4.4Å; L140-L272 HydrophobicContact CD2-CD1 4.1Å
141L96.3Very high76.6Confident9 Ų964.6 Ų64.65%0.04732%0.315CS..EExtended strand (participates in β ladder)trans-121.2129.7179.1168.465.2000109.4I248 W252 L271L141-I248 WeakPolarHBondContact CD1-O 3.26Å; L141-I248 HydrophobicContact CD2-CG2 4.04Å; L141-W252 HydrophobicContact CB-CD2 4.17Å; L141-W252 HydrophobicContact CB-CE3 3.81Å; L141-W252 HydrophobicContact CB-CH2 4.29Å; L141-W252 HydrophobicContact CB-CZ3 3.87Å; L141-W252 HydrophobicContact CD1-CD2 4.13Å; L141-W252 HydrophobicContact CD1-CG 4.19Å; L141-W252 HydrophobicContact CD2-CZ2 4.35Å; L141-L271 HydrophobicContact CB-CB 4.07Å; L141-L271 HydrophobicContact CD2-CD1 3.88Å; L141-L271 HydrophobicContact CG-CB 4.44Å; L141-L271 HydrophobicContact CG-CD1 4.05Å; L141-L271 PolarHBondContact N-O 2.92Å; L141-L271 WeakPolarHBondContact O-CB 3.44Å; L141-L271 PolarHBondContact O-N 3.08Å
142K93.7Very high74.4Confident59 Ų5970.1 Ų70.126%0.25734%0.335SS..EExtended strand (participates in β ladder)trans-65.4137.8172.7-69-179.2177.7-178.30110.2G251 L253 Q262 L270K142-G251 PolarHBondContact N-O 3.02Å; K142-L253 HydrophobicContact CD-CD2 4.06Å; K142-L253 HydrophobicContact CG-CD2 3.75Å; K142-Q262 WeakPolarHBondContact CE-O 3.18Å; K142-Q262 PolarHBondContact NZ-O 3.34Å; K142-L270 HydrophobicContact CB-CD2 4.47Å; K142-L270 HydrophobicContact CG-CD2 3.98Å
143K86.8Confident72.3Confident54 Ų5472.5 Ų72.524%0.23535%0.345CS..PPolyproline II helixtrans-59.7133.4170.5-82.6-174.3174.2177.70110.4Y108 R145 D161 A269 L271Y108-K143 VanDerWaalsContact CZ-NZ 3.3Å; Y108-K143 WeakPolarHBondContact OH-CE 3.45Å; Y108-K143 PolarHBondContact OH-NZ 3.31Å; K143-R145 PolarHBondContact O-N 3.43Å; K143-D161 IonicContact NZ-OD1 3.56Å; K143-D161 PolarHBondContact NZ-OD1 2.95Å; K143-D161 IonicContact NZ-OD2 2.94Å; K143-D161 PolarHBondContact NZ-OD2 3.28Å; K143-A269 HydrophobicContact CD-CB 4.01Å; K143-L271 HydrophobicContact CG-CD1 4.48Å; K143-L271 HydrophobicContact CG-CD2 3.73Å; K143-L271 HydrophobicContact CG-CG 4.02Å
144P77.2Confident70Confident85 Ų8577.3 Ų77.355%0.55237%0.367SS*.PPolyproline II helixtrans-56.8121.9173.2-23.633.1000110.6D146 I248P144-D146 PolarHBondContact O-N 3.3Å; P144-I248 HydrophobicContact CG-CG1 4.08Å; P144-I248 HydrophobicContact CG-CG2 4.26Å
145R58.2Low67.4Low173 Ų17382 Ų8265%0.65339%0.393SS*.  trans-83.8114177-69.6-178.7-179.8169.91.3108.9K143 P147 E268K143-R145 PolarHBondContact O-N 3.43Å; R145-P147 WeakPolarHBondContact O-CD 3.41Å; R145-E268 IonicContact NH2-OE1 3.44Å; R145-E268 PolarHBondContact NH2-OE1 2.87Å
146D49.3Very low65Low82 Ų8285.3 Ų85.344%0.43941%0.41SS..  trans-71.8107176.9-143.1-4.2000109.1P144 T148 K149P144-D146 PolarHBondContact O-N 3.3Å; D146-T148 PolarHBondContact O-N 2.87Å; D146-K149 IonicContact OD2-NZ 3.63Å; D146-K149 PolarHBondContact OD2-NZ 3.25Å
147P41.3Very low62.8Low97 Ų9788.1 Ų88.163%0.6343%0.425SS*.THydrogen-bonded Turntrans-70.8-15.7-167.825.3-31.1000114R145R145-P147 WeakPolarHBondContact O-CD 3.41Å
148T44Very low60.7Low116 Ų11692.5 Ų92.571%0.71245%0.445SS*.THydrogen-bonded Turntrans-86.4-5.2-175.453.50000114.5D146D146-T148 PolarHBondContact O-N 2.87Å
149K46.3Very low58.4Low84 Ų8494.9 Ų94.937%0.36546%0.463SS..  trans-12338.2-168.3-65.7175.8179.7151.50114.6D146 K151 K153D146-K149 IonicContact OD2-NZ 3.63Å; D146-K149 PolarHBondContact OD2-NZ 3.25Å; K149-K151 VanDerWaalsContact C-N 3.33Å; K149-K151 PolarHBondContact O-N 3.26Å; K149-K151 VanDerWaalsContact O-N 3.08Å; K149-K153 HydrophobicContact CB-CB 4.38Å; K149-K153 HydrophobicContact CD-CD 3.6Å
150K42.9Very low56.3Low173 Ų17398.2 Ų98.275%0.75248%0.478SS*.THydrogen-bonded Turntrans-67.5-7.4-165.3-83.7-178.2176.5175.60118.3
151K39Very low54.5Low201 Ų20199.4 Ų99.487%0.87448%0.484SS*.THydrogen-bonded Turntrans-138.6-29.1-178.7-85.4-175.6174.9177.30118.7K149K149-K151 VanDerWaalsContact C-N 3.33Å; K149-K151 PolarHBondContact O-N 3.26Å; K149-K151 VanDerWaalsContact O-N 3.08Å
152K35.6Very low52.6Low201 Ų201104.6 Ų104.687%0.87451%0.508SS*.THydrogen-bonded Turntrans-97-17.8-173.6-130175.3-177.7-1800115.3
153K45.2Very low50.9Low57 Ų57105.8 Ų105.825%0.24853%0.529CS..SBendtrans-103.7-7.1-172.8-148.4172.1-174.6-85.90115.9K149 L155 D156 D157K149-K153 HydrophobicContact CB-CB 4.38Å; K149-K153 HydrophobicContact CD-CD 3.6Å; K153-L155 PolarHBondContact O-N 2.72Å; K153-D156 HydrophobicContact CG-CB 3.96Å; K153-D156 PolarHBondContact O-N 3.49Å; K153-D157 IonicContact NZ-OD1 2.8Å; K153-D157 PolarHBondContact NZ-OD1 3.18Å; K153-D157 IonicContact NZ-OD2 3Å; K153-D157 WeakPolarHBondContact O-CB 3.36Å; K153-D157 PolarHBondContact O-N 2.96Å
154K41.4Very low49.6Very low159 Ų159105.4 Ų105.469%0.69153%0.529SS*.Hα-helixtrans-61.3-33.4176.9-96.4-169.2175-171.30113Q158K154-Q158 WeakPolarHBondContact O-CB 3.35Å; K154-Q158 VanDerWaalsContact O-CG 3.26Å; K154-Q158 WeakPolarHBondContact O-CG 3.48Å; K154-Q158 PolarHBondContact O-N 3.26Å
155L38.1Very low49Very low138 Ų138103.4 Ų103.472%0.72351%0.513SS*.Hα-helixtrans-72.9-44.2175.3-81.1136.6000111.5K153 Q158 S159K153-L155 PolarHBondContact O-N 2.72Å; L155-Q158 PolarHBondContact O-N 3.39Å; L155-S159 PolarHBondContact O-N 3.32Å; L155-S159 PolarHBondContact O-OG 3.16Å
156D45.1Very low49.2Very low89 Ų8997 Ų9748%0.47649%0.491SS..Hα-helixtrans-64.3-44.9178.9-122.415.3000112.3K153 Q158 S159 E160K153-D156 HydrophobicContact CG-CB 3.96Å; K153-D156 PolarHBondContact O-N 3.49Å; D156-Q158 VanDerWaalsContact C-N 3.33Å; D156-Q158 PolarHBondContact O-N 3.3Å; D156-S159 WeakPolarHBondContact CA-OG 3.45Å; D156-S159 PolarHBondContact O-N 3.11Å; D156-S159 PolarHBondContact O-OG 2.9Å; D156-E160 PolarHBondContact O-N 3.35Å
157D48.6Very low49.4Very low66 Ų66103 Ų10335%0.35352%0.516SS..Hα-helixtrans-70.3-29178.7-71.5-22.5000111.8K153 D161K153-D157 IonicContact NZ-OD1 2.8Å; K153-D157 PolarHBondContact NZ-OD1 3.18Å; K153-D157 IonicContact NZ-OD2 3Å; K153-D157 WeakPolarHBondContact O-CB 3.36Å; K153-D157 PolarHBondContact O-N 2.96Å; D157-D161 WeakPolarHBondContact O-CB 3.2Å; D157-D161 VanDerWaalsContact O-CG 3.28Å; D157-D161 PolarHBondContact O-N 2.94Å; D157-D161 VanDerWaalsContact O-N 3.08Å
158Q51.5Low50Low92 Ų92100.9 Ų100.943%0.4351%0.513SS..Hα-helixtrans-69.6-42.5172.2-82.8176-1800111.5K154 L155 D156 E160 D161 E162K154-Q158 WeakPolarHBondContact O-CB 3.35Å; K154-Q158 VanDerWaalsContact O-CG 3.26Å; K154-Q158 WeakPolarHBondContact O-CG 3.48Å; K154-Q158 PolarHBondContact O-N 3.26Å; L155-Q158 PolarHBondContact O-N 3.39Å; D156-Q158 VanDerWaalsContact C-N 3.33Å; D156-Q158 PolarHBondContact O-N 3.3Å; Q158-E160 PolarHBondContact O-N 3Å; Q158-D161 PolarHBondContact O-N 3.48Å; Q158-E162 WeakPolarHBondContact O-CB 3.29Å; Q158-E162 WeakPolarHBondContact O-CG 3.22Å; Q158-E162 PolarHBondContact O-N 3.33Å
159S49.3Very low50.5Low57 Ų5797.6 Ų97.640%0.39949%0.494SS..Hα-helixtrans-66.4-33.2176.754.90000113.7L155 D156 A163L155-S159 PolarHBondContact O-N 3.32Å; L155-S159 PolarHBondContact O-OG 3.16Å; D156-S159 WeakPolarHBondContact CA-OG 3.45Å; D156-S159 PolarHBondContact O-N 3.11Å; D156-S159 PolarHBondContact O-OG 2.9Å; S159-A163 PolarHBondContact O-N 2.99Å
160E55.3Low51.3Low71 Ų7198 Ų9833%0.33250%0.499SS..Hα-helixtrans-74.2-37.5174.7-73.4-179.4-151.900112.5D156 Q158 A163 L164 K235D156-E160 PolarHBondContact O-N 3.35Å; Q158-E160 PolarHBondContact O-N 3Å; E160-A163 PolarHBondContact O-N 3.4Å; E160-L164 PolarHBondContact O-N 2.92Å; E160-K235 IonicContact OE1-NZ 2.87Å; E160-K235 PolarHBondContact OE1-NZ 3.04Å; E160-K235 IonicContact OE2-NZ 2.69Å; E160-K235 PolarHBondContact OE2-NZ 3.5Å
161D58.9Low52.7Low24 Ų2489.9 Ų89.913%0.12846%0.464CS..Hα-helixtrans-65.1-41.5173.7-78.7-10.8000110.6R100 Y108 K143 D157 Q158 A163 L164 E165R100-D161 IonicContact NH1-OD2 3.98Å; Y108-D161 HydrophobicContact CD2-CB 4.27Å; Y108-D161 WeakPolarHBondContact CD2-O 3.4Å; Y108-D161 HydrophobicContact CE2-CB 3.94Å; Y108-D161 VanDerWaalsContact CE2-OD1 3.24Å; Y108-D161 WeakPolarHBondContact CE2-OD1 3.3Å; Y108-D161 PolarHBondContact OH-OD1 3.48Å; K143-D161 IonicContact NZ-OD1 3.56Å; K143-D161 PolarHBondContact NZ-OD1 2.95Å; K143-D161 IonicContact NZ-OD2 2.94Å; K143-D161 PolarHBondContact NZ-OD2 3.28Å; D157-D161 WeakPolarHBondContact O-CB 3.2Å; D157-D161 VanDerWaalsContact O-CG 3.28Å; D157-D161 PolarHBondContact O-N 2.94Å; D157-D161 VanDerWaalsContact O-N 3.08Å; Q158-D161 PolarHBondContact O-N 3.48Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 3.29Å; D161-L164 CarbonylContact O-C 3.54Å; D161-L164 PolarHBondContact O-N 2.88Å; D161-L164 VanDerWaalsContact O-N 3.09Å; D161-E165 WeakPolarHBondContact O-CG 3.35Å; D161-E165 PolarHBondContact O-N 3.39Å; D161-E165 VanDerWaalsContact O-N 3.14Å
162E58.1Low54.2Low118 Ų11882.6 Ų82.655%0.55144%0.436SS*.Hα-helixtrans-60.8-37.3175.5-78.8175-177.800112.5Q158 L164 E165Q158-E162 WeakPolarHBondContact O-CB 3.29Å; Q158-E162 WeakPolarHBondContact O-CG 3.22Å; Q158-E162 PolarHBondContact O-N 3.33Å; E162-L164 PolarHBondContact O-N 3.3Å; E162-E165 WeakPolarHBondContact O-CB 3.48Å; E162-E165 PolarHBondContact O-N 3.31Å
163A57.9Low55.8Low84 Ų8473.4 Ų73.469%0.69440%0.397SS*.THydrogen-bonded Turntrans-68.6-17.1175.600000113.9S159 E160 D161S159-A163 PolarHBondContact O-N 2.99Å; E160-A163 PolarHBondContact O-N 3.4Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 3.29Å
164L59.4Low56.1Low46 Ų4673.5 Ų73.524%0.24142%0.415CS..THydrogen-bonded Turntrans-106.73.7178-66173.3000112.6Y108 E160 D161 E162Y108-L164 HydrophobicContact CD2-CB 3.89Å; Y108-L164 HydrophobicContact CE2-CB 4.17Å; Y108-L164 HydrophobicContact CE2-CD1 4.48Å; Y108-L164 PolarHBondContact N-O 2.8Å; E160-L164 PolarHBondContact O-N 2.92Å; D161-L164 CarbonylContact O-C 3.54Å; D161-L164 PolarHBondContact O-N 2.88Å; D161-L164 VanDerWaalsContact O-N 3.09Å; E162-L164 PolarHBondContact O-N 3.3Å
165E64.8Low56.4Low43 Ų4369.9 Ų69.920%0.20141%0.409CS..BIsolated β-bridgetrans-69.5133.1172.2-77.6179.6174.300110.1R100 K110 D161 E162R100-E165 WeakPolarHBondContact CD-OE1 3.42Å; K110-E165 VanDerWaalsContact CE-CD 3.43Å; K110-E165 WeakPolarHBondContact CE-OE1 3.32Å; K110-E165 WeakPolarHBondContact CE-OE2 3.45Å; K110-E165 IonicContact NZ-OE1 3.96Å; K110-E165 PolarHBondContact NZ-OE1 3.18Å; K110-E165 IonicContact NZ-OE2 3.96Å; K110-E165 PolarHBondContact NZ-OE2 2.84Å; D161-E165 WeakPolarHBondContact O-CG 3.35Å; D161-E165 PolarHBondContact O-N 3.39Å; D161-E165 VanDerWaalsContact O-N 3.14Å; E162-E165 WeakPolarHBondContact O-CB 3.48Å; E162-E165 PolarHBondContact O-N 3.31Å
166L61.8Low56.4Low40 Ų4066.2 Ų66.221%0.20941%0.405CS..PPolyproline II helixtrans-75.6122.5170.1-73.9158.3000108.1K107 Y108 V109 G168 I220 L221K107-L166 HydrophobicContact CB-CD1 3.71Å; K107-L166 HydrophobicContact CB-CG 3.97Å; K107-L166 HydrophobicContact CG-CD1 4.33Å; K107-L166 HydrophobicContact CG-CG 4.37Å; Y108-L166 PolarHBondContact O-N 2.85Å; V109-L166 HydrophobicContact CG2-CD1 3.73Å; L166-G168 PolarHBondContact O-N 3.2Å; L166-I220 HydrophobicContact CD2-CD1 3.55Å; L166-I220 HydrophobicContact CD2-CG1 4.01Å; L166-I220 HydrophobicContact CD2-CG2 4.47Å; L166-L221 HydrophobicContact CD1-CD2 3.87Å
167E52.3Low55.5Low206 Ų20665.3 Ų65.396%0.96341%0.405SS*.PPolyproline II helixtrans-66.4122.9169.6-70.8-167.7160.300109.3
168G54.3Low54.6Low54 Ų5470.1 Ų70.156%0.55743%0.43SS*.  trans-177.3165.3-179.500000112.2L166L166-G168 PolarHBondContact O-N 3.2Å
169P54Low53.7Low47 Ų4773.2 Ų73.231%0.30544%0.438SS..PPolyproline II helixtrans-61.3151.4177.626-33.9000111.5I171 A212 E215P169-I171 WeakPolarHBondContact O-CG1 3.46Å; P169-I171 PolarHBondContact O-N 3.22Å; P169-A212 WeakPolarHBondContact CG-O 3.44Å; P169-E215 HydrophobicContact CG-CB 4.43Å
170L63Low52.8Low93 Ų9374 Ų7449%0.48744%0.444SS..PPolyproline II helixtrans-67.7117.5178.317968000110.3L98 K110 K112L98-L170 HydrophobicContact CD2-CD1 3.4Å; L98-L170 HydrophobicContact CD2-CD2 3.76Å; L98-L170 HydrophobicContact CD2-CG 4.2Å; K110-L170 HydrophobicContact CB-CD1 4.14Å; K112-L170 HydrophobicContact CB-CD2 4.4Å
171I72.7Confident51.4Low2 Ų274.5 Ų74.51%0.0146%0.455CS..BIsolated β-bridgetrans-87.4127.9-176.1-55.5172.4000109.5V109 V111 K112 T129 F130 P169 P173 L213V109-I171 HydrophobicContact CG1-CD1 3.73Å; V111-I171 CarbonylContact C-O 3.51Å; V111-I171 VanDerWaalsContact CA-O 3.26Å; V111-I171 WeakPolarHBondContact CA-O 3.26Å; V111-I171 HydrophobicContact CG1-CB 4.2Å; K112-I171 PolarHBondContact N-O 3.06Å; T129-I171 HydrophobicContact CG2-CG2 3.36Å; F130-I171 HydrophobicContact CE1-CD1 3.78Å; P169-I171 WeakPolarHBondContact O-CG1 3.46Å; P169-I171 PolarHBondContact O-N 3.22Å; I171-P173 HydrophobicContact CG2-CG 4.35Å; I171-P173 WeakPolarHBondContact O-CD 3.36Å; I171-L213 HydrophobicContact CD1-CD2 3.5Å; I171-L213 VanDerWaalsContact CD1-CD2 3.5Å; I171-L213 HydrophobicContact CD1-CG 3.99Å; I171-L213 HydrophobicContact CG1-CD2 4.33Å
172T71.9Confident50Low48 Ų4878.6 Ų78.629%0.29448%0.483SS..  trans-115.592.3174.5-54.30000110K112 G174 S175K112-T172 HydrophobicContact CB-CG2 4.25Å; K112-T172 WeakPolarHBondContact O-CA 3.43Å; K112-T172 WeakPolarHBondContact O-CG2 3.48Å; T172-G174 PolarHBondContact O-N 3.38Å; T172-S175 PolarHBondContact O-N 2.9Å
173P68Low48.9Very low7 Ų776.2 Ų76.25%0.04549%0.49CS..THydrogen-bonded Turntrans-60.5135.3179.3-24.336.4000111.7V111 K112 V113 D125 I126 I171 S175V111-P173 HydrophobicContact CB-CG 4.43Å; K112-P173 WeakPolarHBondContact O-CD 3.38Å; V113-P173 HydrophobicContact CG1-CG 3.95Å; D125-P173 HydrophobicContact CB-CB 4.18Å; I126-P173 HydrophobicContact CG1-CB 4.47Å; I126-P173 HydrophobicContact CG1-CG 4.1Å; I171-P173 HydrophobicContact CG2-CG 4.35Å; I171-P173 WeakPolarHBondContact O-CD 3.36Å; P173-S175 PolarHBondContact O-N 2.95Å
174G51.4Low47.6Very low60 Ų6078.3 Ų78.362%0.61949%0.489SS*.THydrogen-bonded Turntrans85.1-7.2176.400000116.3T172 G176T172-G174 PolarHBondContact O-N 3.38Å; G174-G176 PolarHBondContact O-N 3Å
175S47.6Very low46.7Very low82 Ų8285.4 Ų85.457%0.57351%0.514SS*.  trans-75.7111.4169.2-1780000109T172 P173 S177T172-S175 PolarHBondContact O-N 2.9Å; P173-S175 PolarHBondContact O-N 2.95Å; S175-S177 PolarHBondContact O-N 3.4Å
176G38.6Very low45Very low62 Ų6286.7 Ų86.764%0.63953%0.528SS*.  trans-60.598.5173.200000110.3G174G174-G176 PolarHBondContact O-N 3Å
177S26.5Very low43.6Very low69 Ų6995.3 Ų95.348%0.48356%0.564SS.*  trans-61.1138.8155.3175.80000106.7S175 Y179 S180S175-S177 PolarHBondContact O-N 3.4Å; S177-Y179 PolarHBondContact O-N 3.26Å; S177-S180 VanDerWaalsContact O-CB 3.23Å; S177-S180 WeakPolarHBondContact O-CB 3.28Å; S177-S180 PolarHBondContact O-N 2.89Å; S177-S180 PolarHBondContact O-OG 3.44Å; S177-S180 VanDerWaalsContact O-OG 3.07Å
178I30Very low42.7Very low168 Ų16890.1 Ų90.186%0.86255%0.546SS*.THydrogen-bonded Turntrans-64.6-3.6-178.8-66.1169000111.8
179Y32.7Very low41.6Very low157 Ų15795.6 Ų95.662%0.61656%0.559SS**THydrogen-bonded Turntrans-105.18.5169.3-63.6-75.7000114.5S177 S181S177-Y179 PolarHBondContact O-N 3.26Å; Y179-S181 VanDerWaalsContact C-N 3.27Å; Y179-S181 PolarHBondContact O-N 3.46Å
180S29.4Very low40.8Very low74 Ų7498.2 Ų98.252%0.51757%0.574SS.*  trans-71.686168.1-59.40000109.1S177S177-S180 VanDerWaalsContact O-CB 3.23Å; S177-S180 WeakPolarHBondContact O-CB 3.28Å; S177-S180 PolarHBondContact O-N 2.89Å; S177-S180 PolarHBondContact O-OG 3.44Å; S177-S180 VanDerWaalsContact O-OG 3.07Å
181S26.5Very low39.5Very low80 Ų8098 Ų9856%0.55958%0.578SS**  trans-51.4135.6166.7-71.10000108.7Y179 G183Y179-S181 VanDerWaalsContact C-N 3.27Å; Y179-S181 PolarHBondContact O-N 3.46Å; S181-G183 PolarHBondContact O-N 2.89Å
182P28.8Very low38.1Very low111 Ų111101.7 Ų101.772%0.72160%0.601SS**  trans-51.1135.4168.9-17.128000107.5L184P182-L184 PolarHBondContact O-N 3.36Å
183G34.4Very low36.9Very low68 Ų68106 Ų10670%0.70161%0.613SS**  trans-43.5111.5176.900000109.9S181 Y185S181-G183 PolarHBondContact O-N 2.89Å; G183-Y185 PolarHBondContact O-N 3.27Å
184L32.4Very low35.8Very low127 Ų127108.7 Ų108.767%0.66563%0.627SS**  trans-76.870.8-175.4-78.9163.3000109P182 S186P182-L184 PolarHBondContact O-N 3.36Å; L184-S186 PolarHBondContact O-N 3.31Å
185Y40.1Very low35.3Very low195 Ų195110.4 Ų110.477%0.76564%0.636SS**  trans-86.270.8150.6-71.8-83.6000107.3G183G183-Y185 PolarHBondContact O-N 3.27Å
186S29.2Very low35.1Very low70 Ų70115 Ų11549%0.4965%0.647SS.*  trans-119.7124.7164.5176.40000107.6L184 T188L184-S186 PolarHBondContact O-N 3.31Å; S186-T188 PolarHBondContact O-N 3.44Å; S186-T188 PolarHBondContact OG-N 3.18Å
187K31.1Very low36Very low222 Ų222117.8 Ų117.897%0.96565%0.648SS**SBendtrans-65.68.6174.3-114.3172.5-179.6167.30113.6
188T34.3Very low36.8Very low96 Ų96116.7 Ų116.759%0.58965%0.647SS**SBendtrans-128.9111.6-178.7-35.60000108.5S186 T190S186-T188 PolarHBondContact O-N 3.44Å; S186-T188 PolarHBondContact OG-N 3.18Å; T188-T190 PolarHBondContact O-N 3.15Å; T188-T190 VanDerWaalsContact O-N 3.14Å
189M31.5Very low37.5Very low169 Ų169111 Ų11183%0.83362%0.622SS**  trans-66109.5171.4-65-151.18600108.9
190T36.7Very low37.8Very low103 Ų103107.8 Ų107.863%0.63262%0.621SS**PPolyproline II helixtrans-99.9121.2160.842.80000107.6T188 T192T188-T190 PolarHBondContact O-N 3.15Å; T188-T190 VanDerWaalsContact O-N 3.14Å; T190-T192 PolarHBondContact O-N 3.09Å
191P35.8Very low38.2Very low87 Ų87108.5 Ų108.557%0.56562%0.618SS**PPolyproline II helixtrans-64.6131.1176.79.4-6.3000110.2Y193P191-Y193 HydrophobicContact CB-CE2 4.08Å; P191-Y193 HydrophobicContact CG-CE2 4.31Å
192T43Very low38.6Very low80 Ų80106.2 Ų106.249%0.49160%0.602SS.*PPolyproline II helixtrans-95.9133.3173.4-15.10000108.7T190 L201T190-T192 PolarHBondContact O-N 3.09Å; T192-L201 PolarHBondContact O-N 3.14Å
193Y47.8Very low38.9Very low140 Ų140104.9 Ų104.955%0.54959%0.594SS.*BIsolated β-bridgetrans-109.7147.3-176.3-64.9-87.6000110.8P191 A195 G198 S199 P200P191-Y193 HydrophobicContact CB-CE2 4.08Å; P191-Y193 HydrophobicContact CG-CE2 4.31Å; Y193-A195 PolarHBondContact O-N 3.48Å; Y193-G198 WeakPolarHBondContact CD1-O 3.24Å; Y193-S199 CarbonylContact C-O 3.55Å; Y193-S199 VanDerWaalsContact CA-O 3.26Å; Y193-S199 WeakPolarHBondContact CA-O 3.08Å; Y193-P200 HydrophobicContact CD1-CB 4.09Å; Y193-P200 HydrophobicContact CE1-CB 3.85Å; Y193-P200 HydrophobicContact CE1-CG 4.41Å
194D44.5Very low38.9Very low62 Ų62105.3 Ų105.333%0.33258%0.583SS.*  trans-60.9130.8171.8-168.8-32.6000110.1H196 G198 S199D194-H196 VanDerWaalsContact C-N 3.28Å; D194-H196 PolarHBondContact O-N 3.21Å; D194-H196 PolarHBondContact OD1-N 3.37Å; D194-G198 VanDerWaalsContact O-CA 3.22Å; D194-G198 WeakPolarHBondContact O-CA 3.42Å; D194-G198 PolarHBondContact O-N 2.77Å; D194-S199 PolarHBondContact N-O 2.88Å
195A40.2Very low39.1Very low97 Ų97101.8 Ų101.880%0.80257%0.569SS**THydrogen-bonded Turntrans-73-18.1-179.100000113.6Y193Y193-A195 PolarHBondContact O-N 3.48Å
196H44.4Very low38.8Very low178 Ų17895.6 Ų95.682%0.82456%0.558SS**THydrogen-bonded Turntrans-90.3-32.7-179.3-77-65.5000113.7D194D194-H196 VanDerWaalsContact C-N 3.28Å; D194-H196 PolarHBondContact O-N 3.21Å; D194-H196 PolarHBondContact OD1-N 3.37Å
197D57.1Low39.3Very low120 Ų120101.3 Ų101.364%0.64257%0.569SS**THydrogen-bonded Turntrans-131.7-12.5-176.6113.7-28.7000115.2S199D197-S199 WeakPolarHBondContact OD1-CB 3.49Å; D197-S199 PolarHBondContact OD1-N 3.02Å; D197-S199 PolarHBondContact OD1-OG 3.44Å
198G42.1Very low39.5Very low46 Ų4697 Ų9747%0.47455%0.55SS.*  trans80.313.3176.400000115.6Y193 D194Y193-G198 WeakPolarHBondContact CD1-O 3.24Å; D194-G198 VanDerWaalsContact O-CA 3.22Å; D194-G198 WeakPolarHBondContact O-CA 3.42Å; D194-G198 PolarHBondContact O-N 2.77Å
199S44.9Very low39.2Very low48 Ų4893.8 Ų93.834%0.33654%0.537SS..PPolyproline II helixtrans-77.5147.3174.855.10000113.2Y193 D194 D197Y193-S199 CarbonylContact C-O 3.55Å; Y193-S199 VanDerWaalsContact CA-O 3.26Å; Y193-S199 WeakPolarHBondContact CA-O 3.08Å; D194-S199 PolarHBondContact N-O 2.88Å; D197-S199 WeakPolarHBondContact OD1-CB 3.49Å; D197-S199 PolarHBondContact OD1-N 3.02Å; D197-S199 PolarHBondContact OD1-OG 3.44Å
200P38.8Very low39.5Very low91 Ų9191.1 Ų91.159%0.59153%0.526SS*.BIsolated β-bridgetrans-73.4127.6178.926.9-30.9000111.5Y193Y193-P200 HydrophobicContact CD1-CB 4.09Å; Y193-P200 HydrophobicContact CE1-CB 3.85Å; Y193-P200 HydrophobicContact CE1-CG 4.41Å
201L38Very low39.5Very low88 Ų8888.3 Ų88.346%0.46151%0.51SS..PPolyproline II helixtrans-76131.8177.3-71.6160.7000111.2T192T192-L201 PolarHBondContact O-N 3.14Å
202S36.3Very low39.6Very low32 Ų3286.7 Ų86.722%0.22450%0.504CS..PPolyproline II helixtrans-60.1141.4176.7177.30000111.7T204 S205 A206 E345S202-T204 PolarHBondContact O-N 2.85Å; S202-T204 PolarHBondContact OG-N 2.68Å; S202-S205 PolarHBondContact N-OG 2.95Å; S202-S205 PolarHBondContact O-N 3.24Å; S202-S205 PolarHBondContact O-OG 2.79Å; S202-A206 PolarHBondContact O-N 2.93Å; S202-E345 PolarHBondContact OG-OE2 2.86Å
203P34.5Very low39.5Very low83 Ų8384.3 Ų84.354%0.53949%0.488SS..THydrogen-bonded Turntrans-60-12.9174.8-19.530.3000113.1W207P203-W207 PolarHBondContact O-NE1 3Å; P203-W207 VanDerWaalsContact O-NE1 3.1Å
204T34.9Very low39Very low78 Ų7880.2 Ų80.248%0.47948%0.48SS..THydrogen-bonded Turntrans-89.8-33.2175.4-27.30000111.4S202 W207 F208S202-T204 PolarHBondContact O-N 2.85Å; S202-T204 PolarHBondContact OG-N 2.68Å; T204-W207 PolarHBondContact O-N 3.32Å; T204-F208 HydrophobicContact CG2-CD2 4.32Å; T204-F208 HydrophobicContact CG2-CE2 4.22Å; T204-F208 WeakPolarHBondContact O-CD2 3.44Å; T204-F208 PolarHBondContact O-N 3.37Å
205S35.3Very low38.8Very low53 Ų5385.9 Ų85.937%0.37150%0.504SS..Hα-helixtrans-74.5-28.2177.857.10000112.6S202 W207 G209S202-S205 PolarHBondContact N-OG 2.95Å; S202-S205 PolarHBondContact O-N 3.24Å; S202-S205 PolarHBondContact O-OG 2.79Å; S205-W207 PolarHBondContact O-N 3.42Å; S205-G209 WeakPolarHBondContact O-CA 3.29Å; S205-G209 PolarHBondContact O-N 3.11Å
206A35.3Very low38.8Very low64 Ų6482.2 Ų82.253%0.52948%0.476SS..Hα-helixtrans-69.6-17173.100000114.2S202S202-A206 PolarHBondContact O-N 2.93Å
207W38.8Very low38.9Very low191 Ų19179.6 Ų79.672%0.72347%0.468SS*.Hα-helixtrans-101.1-25-175.5-66.657000112.7P203 T204 S205P203-W207 PolarHBondContact O-NE1 3Å; P203-W207 VanDerWaalsContact O-NE1 3.1Å; T204-W207 PolarHBondContact O-N 3.32Å; S205-W207 PolarHBondContact O-N 3.42Å
208F35.7Very low38.1Very low131 Ų13176.6 Ų76.658%0.57546%0.456SS*.Hα-helixtrans-99.4-10.9169.5-68.8-76.2000113T204 D210T204-F208 HydrophobicContact CG2-CD2 4.32Å; T204-F208 HydrophobicContact CG2-CE2 4.22Å; T204-F208 WeakPolarHBondContact O-CD2 3.44Å; T204-F208 PolarHBondContact O-N 3.37Å; F208-D210 PolarHBondContact O-N 3.38Å
209G28.1Very low38.6Very low29 Ų2975.9 Ų75.930%0.29945%0.448SS..THydrogen-bonded Turntrans-71.2-28.1-165.700000116.2S205 S214S205-G209 WeakPolarHBondContact O-CA 3.29Å; S205-G209 PolarHBondContact O-N 3.11Å; G209-S214 PolarHBondContact O-OG 2.84Å
210D36.5Very low39.8Very low113 Ų11376 Ų7660%0.60444%0.444SS*.THydrogen-bonded Turntrans-14031.8-165.2-82.4-41.5000114.9F208F208-D210 PolarHBondContact O-N 3.38Å
211S38.4Very low41.5Very low44 Ų4472 Ų7231%0.30842%0.418SS..SBendtrans-81.1143.1156-174.20000108.1T129 L213 S214T129-S211 PolarHBondContact O-OG 2.85Å; S211-L213 PolarHBondContact O-N 3.4Å; S211-S214 WeakPolarHBondContact O-CB 3.35Å; S211-S214 PolarHBondContact O-N 2.87Å
212A37.3Very low43.2Very low53 Ų5369 Ų6944%0.43841%0.406SS..THydrogen-bonded Turntrans-58.6-6.1173.300000113.7P169P169-A212 WeakPolarHBondContact CG-O 3.44Å
213L40.5Very low45.1Very low30 Ų3070 Ų7016%0.15741%0.411CS..THydrogen-bonded Turntrans-85.2-1.8168.7-66.5170.7000113.7F130 I171 S211 E215 G216 L221F130-L213 HydrophobicContact CD1-CD1 4.15Å; I171-L213 HydrophobicContact CD1-CD2 3.5Å; I171-L213 VanDerWaalsContact CD1-CD2 3.5Å; I171-L213 HydrophobicContact CD1-CG 3.99Å; I171-L213 HydrophobicContact CG1-CD2 4.33Å; S211-L213 PolarHBondContact O-N 3.4Å; L213-E215 VanDerWaalsContact C-N 3.33Å; L213-E215 PolarHBondContact O-N 3.36Å; L213-G216 CarbonylContact O-C 3.51Å; L213-G216 PolarHBondContact O-N 2.91Å; L213-G216 VanDerWaalsContact O-N 3.1Å; L213-L221 HydrophobicContact CD1-CD1 3.93Å
214S37Very low47.3Very low53 Ų5366.2 Ų66.237%0.37139%0.386SS..THydrogen-bonded Turntrans-65.8-35.1179.2-174.30000111.6G209 S211 G216G209-S214 PolarHBondContact O-OG 2.84Å; S211-S214 WeakPolarHBondContact O-CB 3.35Å; S211-S214 PolarHBondContact O-N 2.87Å; S214-G216 VanDerWaalsContact C-N 3.28Å; S214-G216 PolarHBondContact O-N 2.87Å
215E40.3Very low49.2Very low181 Ų18166.1 Ų66.185%0.84638%0.38SS*.THydrogen-bonded Turntrans-75.2-11.8172.2-68-173.2164.300113.8P169 L213P169-E215 HydrophobicContact CG-CB 4.43Å; L213-E215 VanDerWaalsContact C-N 3.33Å; L213-E215 PolarHBondContact O-N 3.36Å
216G40.4Very low51.1Low21 Ų2166.6 Ų66.622%0.21638%0.382CS..SBendtrans-133.494.8-177.800000112.5L213 S214L213-G216 CarbonylContact O-C 3.51Å; L213-G216 PolarHBondContact O-N 2.91Å; L213-G216 VanDerWaalsContact O-N 3.1Å; S214-G216 VanDerWaalsContact C-N 3.28Å; S214-G216 PolarHBondContact O-N 2.87Å
217N45.8Very low52.9Low122 Ų12264.4 Ų64.465%0.65236%0.361SS*.  trans26.978.1175.9-154.5-5.4000114.7G219 I220N217-G219 PolarHBondContact O-N 2.78Å; N217-I220 PolarHBondContact O-N 2.92Å; N217-I220 VanDerWaalsContact O-N 3.11Å
218P40.3Very low54.1Low58 Ų5861.1 Ų61.138%0.37736%0.362SS..THydrogen-bonded Turntrans-57.4-16.1-164-12.312.5000115.9
219G54.3Low55.8Low30 Ų3056.3 Ų56.331%0.30935%0.345SS..THydrogen-bonded Turntrans-95.6-6.7-177.100000115.7N217 L221 A222 V223N217-G219 PolarHBondContact O-N 2.78Å; G219-L221 PolarHBondContact O-N 2.89Å; G219-L221 VanDerWaalsContact O-N 3.09Å; G219-A222 WeakPolarHBondContact O-CB 3.12Å; G219-A222 PolarHBondContact O-N 3.41Å; G219-V223 WeakPolarHBondContact O-CG2 3.39Å; G219-V223 PolarHBondContact O-N 2.98Å
220I68.4Low58Low52 Ų5256.6 Ų56.627%0.26734%0.341SS..THydrogen-bonded Turntrans-61.6-29.5-166.9-162.8158.6000113.7L166 N217L166-I220 HydrophobicContact CD2-CD1 3.55Å; L166-I220 HydrophobicContact CD2-CG1 4.01Å; L166-I220 HydrophobicContact CD2-CG2 4.47Å; N217-I220 PolarHBondContact O-N 2.92Å; N217-I220 VanDerWaalsContact O-N 3.11Å
221L76.4Confident59.9Low7 Ų758.6 Ų58.64%0.03735%0.347CS..THydrogen-bonded Turntrans-78.9-17.3177.2-60.3-173.4000113.8L103 F130 L166 L213 G219 I289 N292 Q293L103-L221 HydrophobicContact CD1-CD1 4.26Å; L103-L221 HydrophobicContact CD1-CD2 3.38Å; L103-L221 HydrophobicContact CD1-CG 4.44Å; F130-L221 HydrophobicContact CB-CD1 4.45Å; F130-L221 HydrophobicContact CD1-CD1 4.02Å; F130-L221 HydrophobicContact CG-CD1 4.23Å; L166-L221 HydrophobicContact CD1-CD2 3.87Å; L213-L221 HydrophobicContact CD1-CD1 3.93Å; G219-L221 PolarHBondContact O-N 2.89Å; G219-L221 VanDerWaalsContact O-N 3.09Å; L221-I289 HydrophobicContact CB-CG2 4.05Å; L221-N292 PolarHBondContact O-ND2 2.87Å; L221-Q293 PolarHBondContact O-NE2 2.62Å
222A72Confident61.8Low24 Ų2459.5 Ų59.520%0.19835%0.348CS..THydrogen-bonded Turntrans-89.5-17.9174.700000112.7G219 I289 N292 K570G219-A222 WeakPolarHBondContact O-CB 3.12Å; G219-A222 PolarHBondContact O-N 3.41Å; A222-I289 HydrophobicContact CB-CG1 3.79Å; A222-N292 PolarHBondContact O-ND2 2.94Å; A222-N292 PolarHBondContact O-OD1 2.92Å; A222-K570 PolarHBondContact O-NZ 3.42Å
223V76.7Confident63.8Low54 Ų5457 Ų5733%0.32733%0.327SS..SBendtrans-89.5131.6-179-179.70000110.3G219 N292G219-V223 WeakPolarHBondContact O-CG2 3.39Å; G219-V223 PolarHBondContact O-N 2.98Å; V223-N292 PolarHBondContact O-ND2 2.79Å
224S79.8Confident65.6Low2 Ų258.5 Ų58.51%0.01434%0.343CS..PPolyproline II helixtrans-82.4131.9172.3166.90000108.7Y295 E296 N325S224-Y295 WeakPolarHBondContact OG-CE1 3.25Å; S224-E296 PolarHBondContact OG-OE1 3Å; S224-N325 PolarHBondContact OG-OD1 2.99Å
225Q75.5Confident67.6Low77 Ų7761.6 Ų61.636%0.3635%0.35SS..PPolyproline II helixtrans-101.4137.5175.4-68.1-173.1-8.700110.7
226P74.5Confident69.3Low63 Ų6356 Ų5641%0.40933%0.325SS..PPolyproline II helixtrans-65.2151.6170.328.7-33.3000110.2T228P226-T228 PolarHBondContact O-N 3.33Å
227I74.3Confident71.2Confident17 Ų1756.4 Ų56.49%0.08732%0.321CS..PPolyproline II helixtrans-69.8119.8176.1-56177.7000108S229 W300 L303 C520I227-S229 VanDerWaalsContact C-N 3.3Å; I227-S229 WeakPolarHBondContact CG2-O 3.42Å; I227-S229 PolarHBondContact O-N 3.4Å; I227-W300 HydrophobicContact CD1-CH2 3.96Å; I227-W300 HydrophobicContact CD1-CZ2 4.43Å; I227-W300 HydrophobicContact CD1-CZ3 4.27Å; I227-W300 HydrophobicContact CG1-CH2 4.09Å; I227-W300 HydrophobicContact CG1-CZ2 4.29Å; I227-W300 HydrophobicContact CG2-CH2 4.48Å; I227-L303 HydrophobicContact CD1-CD1 3.5Å; I227-C520 HydrophobicContact CB-CB 4.25Å
228T64.3Low72.7Confident122 Ų12256.2 Ų56.275%0.74831%0.314SS*.SBendtrans-60.7-35.2-171-40.90000113P226P226-T228 PolarHBondContact O-N 3.33Å
229S71.1Confident74.1Confident30 Ų3058.7 Ų58.721%0.2133%0.33CS..  trans-151.6148.8173.372.40000113.3I227 E231 I232I227-S229 VanDerWaalsContact C-N 3.3Å; I227-S229 WeakPolarHBondContact CG2-O 3.42Å; I227-S229 PolarHBondContact O-N 3.4Å; S229-E231 PolarHBondContact O-N 2.87Å; S229-I232 PolarHBondContact O-N 3.27Å; S229-I232 WeakPolarHBondContact OG-CG1 3.36Å; S229-I232 PolarHBondContact OG-N 2.92Å
230P74Confident75.3Confident36 Ų3661.2 Ų61.223%0.23433%0.334CS..Hα-helixtrans-59.9-26.4172-22.232.2000113.3L233 A234 E519P230-L233 PolarHBondContact O-N 3.22Å; P230-A234 WeakPolarHBondContact O-CB 3.48Å; P230-A234 PolarHBondContact O-N 3.31Å; P230-E519 HydrophobicContact CB-CB 3.95Å; P230-E519 HydrophobicContact CG-CB 3.74Å
231E77.1Confident76.2Confident155 Ų15561.4 Ų61.472%0.72434%0.343SS*.Hα-helixtrans-64.3-38.9178.9-63.1178.1172.100112.1S229 A234 K235S229-E231 PolarHBondContact O-N 2.87Å; E231-A234 PolarHBondContact O-N 3.46Å; E231-K235 VanDerWaalsContact O-CB 3.28Å; E231-K235 WeakPolarHBondContact O-CB 3.42Å; E231-K235 PolarHBondContact O-N 3.43Å
232I77.8Confident76.6Confident63 Ų6363.1 Ų63.132%0.32335%0.352SS..Hα-helixtrans-62.3-47.1175.3-66.6163.8000109.6S229 A234 K235 M236S229-I232 PolarHBondContact O-N 3.27Å; S229-I232 WeakPolarHBondContact OG-CG1 3.36Å; S229-I232 PolarHBondContact OG-N 2.92Å; I232-A234 PolarHBondContact O-N 3.5Å; I232-K235 PolarHBondContact O-N 3.08Å; I232-M236 HydrophobicContact CG2-CG 4.5Å; I232-M236 HydrophobicContact CG2-SD 4.03Å; I232-M236 WeakPolarHBondContact O-CB 3.41Å; I232-M236 WeakPolarHBondContact O-CG 3.3Å; I232-M236 PolarHBondContact O-N 3.32Å
233L78.4Confident77.3Confident1 Ų164.2 Ų64.21%0.00536%0.355CS..Hα-helixtrans-61.6-43.9177.9-179.361.3000111.3P230 K235 M236 F237 W300 L303 L304 P524P230-L233 PolarHBondContact O-N 3.22Å; L233-K235 VanDerWaalsContact C-N 3.33Å; L233-K235 PolarHBondContact O-N 3.46Å; L233-M236 PolarHBondContact O-N 2.82Å; L233-F237 WeakPolarHBondContact O-CB 3.33Å; L233-F237 PolarHBondContact O-N 3.19Å; L233-W300 HydrophobicContact CD1-CZ3 4.03Å; L233-L303 HydrophobicContact CD1-CB 4Å; L233-L304 HydrophobicContact CD1-CD2 3.94Å; L233-P524 HydrophobicContact CG-CG 4.35Å
234A78.6Confident77.7Confident60 Ų6065 Ų6550%0.49636%0.357SS..Hα-helixtrans-65.5-34177.900000113.2P230 E231 I232P230-A234 WeakPolarHBondContact O-CB 3.48Å; P230-A234 PolarHBondContact O-N 3.31Å; E231-A234 PolarHBondContact O-N 3.46Å; I232-A234 PolarHBondContact O-N 3.5Å
235K79.2Confident78Confident119 Ų11967 Ų6752%0.51737%0.365SS..Hα-helixtrans-73.3-37.7177.5-172.8-176.3-177.5-169.50112.3E160 E231 I232 L233E160-K235 IonicContact OE1-NZ 2.87Å; E160-K235 PolarHBondContact OE1-NZ 3.04Å; E160-K235 IonicContact OE2-NZ 2.69Å; E160-K235 PolarHBondContact OE2-NZ 3.5Å; E231-K235 VanDerWaalsContact O-CB 3.28Å; E231-K235 WeakPolarHBondContact O-CB 3.42Å; E231-K235 PolarHBondContact O-N 3.43Å; I232-K235 PolarHBondContact O-N 3.08Å; L233-K235 VanDerWaalsContact C-N 3.33Å; L233-K235 PolarHBondContact O-N 3.46Å
236M77.2Confident78.6Confident64 Ų6463.3 Ų63.332%0.31535%0.348SS..Hα-helixtrans-75.2-35.1176.6-72.4-175.5149.700112M106 I232 L233 K238 W300 L304M106-M236 HydrophobicContact CE-CE 3.7Å; M106-M236 HydrophobicContact CE-SD 4.03Å; I232-M236 HydrophobicContact CG2-CG 4.5Å; I232-M236 HydrophobicContact CG2-SD 4.03Å; I232-M236 WeakPolarHBondContact O-CB 3.41Å; I232-M236 WeakPolarHBondContact O-CG 3.3Å; I232-M236 PolarHBondContact O-N 3.32Å; L233-M236 PolarHBondContact O-N 2.82Å; M236-K238 PolarHBondContact O-N 2.98Å; M236-K238 VanDerWaalsContact O-N 3.1Å; M236-W300 HydrophobicContact SD-CH2 4.48Å; M236-W300 HydrophobicContact SD-CZ3 4.26Å; M236-L304 HydrophobicContact CB-CD2 3.97Å
237F79.6Confident79.3Confident29 Ų2964.1 Ų64.113%0.12735%0.345CS..  trans-64.1110.2178.9179.8-105000111.4L233 P239 L304 E305 P524L233-F237 WeakPolarHBondContact O-CB 3.33Å; L233-F237 PolarHBondContact O-N 3.19Å; F237-P239 HydrophobicContact CE1-CG 4.45Å; F237-P239 HydrophobicContact CZ-CB 4.37Å; F237-L304 HydrophobicContact CB-CD2 4.38Å; F237-E305 HydrophobicContact CE2-CB 3.96Å; F237-E305 HydrophobicContact CE2-CG 3.7Å; F237-E305 HydrophobicContact CZ-CG 4.36Å; F237-E305 WeakPolarHBondContact CZ-OE2 3.25Å; F237-P524 HydrophobicContact CB-CG 3.95Å; F237-P524 HydrophobicContact CD1-CB 4.04Å; F237-P524 HydrophobicContact CD1-CG 3.97Å; F237-P524 HydrophobicContact CD2-CG 4.28Å; F237-P524 HydrophobicContact CE1-CB 4.31Å; F237-P524 HydrophobicContact CG-CB 4.36Å; F237-P524 HydrophobicContact CG-CG 3.79Å
238K76.8Confident80Confident118 Ų11865.5 Ų65.551%0.51335%0.352SS..  trans-127.6110.3171.9-68178.8-173.8167.60107.9M236 Q240M236-K238 PolarHBondContact O-N 2.98Å; M236-K238 VanDerWaalsContact O-N 3.1Å; K238-Q240 PolarHBondContact O-N 3.3Å
239P71Confident81.3Confident110 Ų11060.9 Ų60.971%0.71432%0.323SS*.  trans-62.8116.1176.226.1-32.1000108.3F237F237-P239 HydrophobicContact CE1-CG 4.45Å; F237-P239 HydrophobicContact CZ-CB 4.37Å
240Q79.6Confident82.1Confident82 Ų8262.7 Ų62.738%0.38333%0.328SS..  trans-110.1136.6-179.8-76.3-179.5-18.700109.7K238 D244 K245K238-Q240 PolarHBondContact O-N 3.3Å; Q240-D244 HydrophobicContact CB-CB 4.17Å; Q240-D244 HydrophobicContact CG-CB 4.4Å; Q240-K245 HydrophobicContact CB-CG 3.94Å
241A85.7Confident83Confident56 Ų5661.6 Ų61.646%0.46332%0.324SS..  trans-63.9156.2168.900000110.1L243 D244 K245A241-L243 PolarHBondContact O-N 2.78Å; A241-D244 PolarHBondContact O-N 2.96Å; A241-K245 PolarHBondContact O-N 2.74Å
242L84.9Confident83.9Confident43 Ų4355.2 Ų55.223%0.22529%0.293CS..Hα-helixtrans-55.3-37.6179.5-82.9165000113D244 K245 A246 L600 G616L242-D244 VanDerWaalsContact C-N 3.34Å; L242-D244 PolarHBondContact O-N 3.05Å; L242-K245 PolarHBondContact O-N 2.72Å; L242-A246 WeakPolarHBondContact O-CB 3.27Å; L242-A246 PolarHBondContact O-N 3.49Å; L242-L600 HydrophobicContact CB-CD1 4Å; L242-G616 VanDerWaalsContact CD1-CA 3.44Å
243L87.3Confident84.8Confident48 Ų4852.3 Ų52.325%0.25128%0.278SS..Hα-helixtrans-60.3-42.1173.6-77.4111.4000112.4A241 A246 K247 I589 A613A241-L243 PolarHBondContact O-N 2.78Å; L243-A246 PolarHBondContact O-N 3.47Å; L243-K247 WeakPolarHBondContact O-CG 3.3Å; L243-K247 PolarHBondContact O-N 3.14Å; L243-K247 VanDerWaalsContact O-N 3.15Å; L243-I589 HydrophobicContact CD2-CD1 4.29Å; L243-A613 HydrophobicContact CD1-CB 3.75Å; L243-A613 WeakPolarHBondContact CD1-O 3.44Å; L243-A613 HydrophobicContact CD2-CB 4.43Å; L243-A613 HydrophobicContact CG-CB 4.06Å
244D85.9Confident85.6Confident70 Ų7053.6 Ų53.637%0.37429%0.285SS..Hα-helixtrans-70.7-35.6179.8-64.5-40.2000111.4Q240 A241 L242 A246 K247Q240-D244 HydrophobicContact CB-CB 4.17Å; Q240-D244 HydrophobicContact CG-CB 4.4Å; A241-D244 PolarHBondContact O-N 2.96Å; L242-D244 VanDerWaalsContact C-N 3.34Å; L242-D244 PolarHBondContact O-N 3.05Å; D244-A246 VanDerWaalsContact C-N 3.34Å; D244-K247 WeakPolarHBondContact O-CB 3.48Å; D244-K247 PolarHBondContact O-N 3.45Å; D244-K247 IonicContact OD1-NZ 2.65Å; D244-K247 PolarHBondContact OD1-NZ 2.89Å
245K85Confident86.4Confident43 Ų4351 Ų5119%0.18726%0.263CS..Hα-helixtrans-61.6-42.6170.4-67-178177.5-178.80111.3Q240 A241 L242 K247 I248 E305 E306Q240-K245 HydrophobicContact CB-CG 3.94Å; A241-K245 PolarHBondContact O-N 2.74Å; L242-K245 PolarHBondContact O-N 2.72Å; K245-K247 PolarHBondContact O-N 3.38Å; K245-I248 WeakPolarHBondContact O-CB 3.29Å; K245-I248 PolarHBondContact O-N 3.27Å; K245-E305 PolarHBondContact NZ-O 3.3Å; K245-E306 PolarHBondContact NZ-O 3.31Å
246A89.1Confident87.2Confident1 Ų146 Ų461%0.00824%0.243CC..Hα-helixtrans-63.7-28.7178.200000113L242 L243 D244 I248 N249 H587 I589 L600L242-A246 WeakPolarHBondContact O-CB 3.27Å; L242-A246 PolarHBondContact O-N 3.49Å; L243-A246 PolarHBondContact O-N 3.47Å; D244-A246 VanDerWaalsContact C-N 3.34Å; A246-I248 VanDerWaalsContact C-N 3.3Å; A246-I248 PolarHBondContact O-N 3Å; A246-N249 PolarHBondContact O-N 3.01Å; A246-H587 WeakPolarHBondContact CA-O 3.41Å; A246-H587 HydrophobicContact CB-CB 3.93Å; A246-H587 WeakPolarHBondContact CB-O 3.26Å; A246-I589 HydrophobicContact CB-CG1 3.95Å; A246-L600 HydrophobicContact CB-CD2 3.88Å
247K88.4Confident88Confident79 Ų7946.2 Ų46.234%0.34324%0.241SC..Hα-helixtrans-65.6-30.6175.6-70.5176.8-176.8162.80113.3L243 D244 K245 N249 Q250 I589 E655L243-K247 WeakPolarHBondContact O-CG 3.3Å; L243-K247 PolarHBondContact O-N 3.14Å; L243-K247 VanDerWaalsContact O-N 3.15Å; D244-K247 WeakPolarHBondContact O-CB 3.48Å; D244-K247 PolarHBondContact O-N 3.45Å; D244-K247 IonicContact OD1-NZ 2.65Å; D244-K247 PolarHBondContact OD1-NZ 2.89Å; K245-K247 PolarHBondContact O-N 3.38Å; K247-N249 PolarHBondContact O-N 3.48Å; K247-Q250 VanDerWaalsContact O-CB 3.26Å; K247-Q250 WeakPolarHBondContact O-CB 3.13Å; K247-Q250 VanDerWaalsContact O-CG 3.28Å; K247-Q250 WeakPolarHBondContact O-CG 3.11Å; K247-Q250 PolarHBondContact O-N 3.37Å; K247-Q250 VanDerWaalsContact O-N 3.08Å; K247-I589 HydrophobicContact CG-CD1 3.92Å; K247-E655 VanDerWaalsContact CE-OE2 3.24Å; K247-E655 WeakPolarHBondContact CE-OE2 3.44Å; K247-E655 WeakPolarHBondContact CG-OE2 3.41Å
248I88.3Confident88.8Confident46 Ų4644.9 Ų44.924%0.23624%0.235CC..Hα-helixtrans-59.4-38.1177.9-62.9169.8000110.2L141 P144 K245 A246 Q250 G251L141-I248 WeakPolarHBondContact CD1-O 3.26Å; L141-I248 HydrophobicContact CD2-CG2 4.04Å; P144-I248 HydrophobicContact CG-CG1 4.08Å; P144-I248 HydrophobicContact CG-CG2 4.26Å; K245-I248 WeakPolarHBondContact O-CB 3.29Å; K245-I248 PolarHBondContact O-N 3.27Å; A246-I248 VanDerWaalsContact C-N 3.3Å; A246-I248 PolarHBondContact O-N 3Å; I248-Q250 PolarHBondContact O-N 3.12Å; I248-G251 PolarHBondContact O-N 3.01Å
249N91.8Very high89.8Confident25 Ų2539.3 Ų39.313%0.13421%0.21CC..G310 helixtrans-67-6.1-179.8-63-45.1000114A246 K247 G251 W252 T586 H587 F588A246-N249 PolarHBondContact O-N 3.01Å; K247-N249 PolarHBondContact O-N 3.48Å; N249-G251 PolarHBondContact O-N 3.23Å; N249-W252 VanDerWaalsContact O-CD1 3.26Å; N249-W252 PolarHBondContact OD1-NE1 2.84Å; N249-T586 HydrophobicContact CB-CG2 4.23Å; N249-T586 WeakPolarHBondContact ND2-CG2 3.36Å; N249-H587 PolarHBondContact ND2-O 2.97Å; N249-F588 HydrophobicContact CB-CD1 4.02Å; N249-F588 HydrophobicContact CB-CE1 3.54Å; N249-F588 HydrophobicContact CB-CZ 4.04Å
250Q89.2Confident90.9Very high69 Ų6935.1 Ų35.132%0.32218%0.181SC..G310 helixtrans-70.7-21.9169.4-61.417212.500112.8K247 I248 W252 E655 V656K247-Q250 VanDerWaalsContact O-CB 3.26Å; K247-Q250 WeakPolarHBondContact O-CB 3.13Å; K247-Q250 VanDerWaalsContact O-CG 3.28Å; K247-Q250 WeakPolarHBondContact O-CG 3.11Å; K247-Q250 PolarHBondContact O-N 3.37Å; K247-Q250 VanDerWaalsContact O-N 3.08Å; I248-Q250 PolarHBondContact O-N 3.12Å; Q250-W252 VanDerWaalsContact C-N 3.32Å; Q250-W252 PolarHBondContact O-N 3.43Å; Q250-E655 PolarHBondContact NE2-OE2 3.44Å; Q250-V656 HydrophobicContact CB-CG2 4.36Å; Q250-V656 HydrophobicContact CG-CB 3.78Å; Q250-V656 HydrophobicContact CG-CG2 3.98Å
251G92.1Very high91.7Very high13 Ų1333 Ų3313%0.13417%0.171CC..G310 helixtrans-81.7-5.9-175.300000114.7K142 I248 N249 L253K142-G251 PolarHBondContact N-O 3.02Å; I248-G251 PolarHBondContact O-N 3.01Å; N249-G251 PolarHBondContact O-N 3.23Å; G251-L253 PolarHBondContact O-N 3.3Å
252W96.1Very high92.1Very high21 Ų2131.2 Ų31.28%0.0815%0.154CC..BIsolated β-bridgetrans-60.8127.6179.3-75.5113000110L141 N249 Q250 R273 K275 V660 F664L141-W252 HydrophobicContact CB-CD2 4.17Å; L141-W252 HydrophobicContact CB-CE3 3.81Å; L141-W252 HydrophobicContact CB-CH2 4.29Å; L141-W252 HydrophobicContact CB-CZ3 3.87Å; L141-W252 HydrophobicContact CD1-CD2 4.13Å; L141-W252 HydrophobicContact CD1-CG 4.19Å; L141-W252 HydrophobicContact CD2-CZ2 4.35Å; N249-W252 VanDerWaalsContact O-CD1 3.26Å; N249-W252 PolarHBondContact OD1-NE1 2.84Å; Q250-W252 VanDerWaalsContact C-N 3.32Å; Q250-W252 PolarHBondContact O-N 3.43Å; W252-R273 HydrophobicContact CH2-CB 3.75Å; W252-R273 HydrophobicContact CZ3-CB 4.42Å; W252-K275 HydrophobicContact CD2-CD 4.17Å; W252-K275 HydrophobicContact CD2-CG 4.23Å; W252-K275 HydrophobicContact CE3-CB 4.37Å; W252-K275 HydrophobicContact CE3-CD 3.87Å; W252-K275 HydrophobicContact CE3-CG 4.11Å; W252-K275 HydrophobicContact CH2-CB 3.59Å; W252-K275 HydrophobicContact CH2-CG 3.95Å; W252-K275 HydrophobicContact CZ2-CB 4.15Å; W252-K275 HydrophobicContact CZ2-CG 4.09Å; W252-K275 HydrophobicContact CZ3-CB 3.74Å; W252-K275 HydrophobicContact CZ3-CD 4.09Å; W252-K275 HydrophobicContact CZ3-CG 3.98Å; W252-V660 HydrophobicContact CB-CG1 3.91Å; W252-V660 HydrophobicContact CG-CG1 4.46Å; W252-F664 AromaticContact CD1-CE2 3.61Å; W252-F664 AromaticContact CD1-CZ 3.82Å; W252-F664 HydrophobicContact CD2-CZ 4.47Å; W252-F664 HydrophobicContact CG-CE2 4.04Å; W252-F664 HydrophobicContact CG-CZ 4.34Å; W252-F664 AromaticContact NE1-CE2 3.99Å; W252-F664 AromaticContact NE1-CZ 3.68Å
253L96.2Very high92.4Very high2 Ų232 Ų321%0.0116%0.158CC..  trans-70.8145.7176.3-62.4-166.5000110.6V119 L140 K142 G251 S255 L259 Q262 V264 L270V119-L253 HydrophobicContact CG1-CB 4.13Å; V119-L253 HydrophobicContact CG2-CB 4.29Å; V119-L253 HydrophobicContact CG2-CD1 4.06Å; L140-L253 HydrophobicContact CB-CD1 3.8Å; L140-L253 HydrophobicContact CB-CG 4.14Å; L140-L253 HydrophobicContact CD1-CD1 4.29Å; L140-L253 PolarHBondContact O-N 2.81Å; K142-L253 HydrophobicContact CD-CD2 4.06Å; K142-L253 HydrophobicContact CG-CD2 3.75Å; G251-L253 PolarHBondContact O-N 3.3Å; L253-S255 PolarHBondContact O-N 3.48Å; L253-L259 HydrophobicContact CD1-CD2 3.55Å; L253-Q262 VanDerWaalsContact CA-OE1 3.29Å; L253-Q262 HydrophobicContact CD2-CB 4.36Å; L253-V264 HydrophobicContact CD1-CG2 4.2Å; L253-V264 HydrophobicContact CD2-CG2 4.42Å; L253-L270 HydrophobicContact CD1-CD1 3.9Å
254D95.3Very high92.7Very high28 Ų2829.7 Ų29.715%0.1515%0.146CC..  trans-68.8113.3169.7179.9-19.8000108.3S256 R257 Q262 E663D254-S256 PolarHBondContact O-N 3.28Å; D254-S256 WeakPolarHBondContact OD1-CA 3.44Å; D254-S256 WeakPolarHBondContact OD1-CB 3.32Å; D254-S256 PolarHBondContact OD1-N 2.98Å; D254-R257 HydrophobicContact CB-CB 4.41Å; D254-R257 HydrophobicContact CB-CG 4.41Å; D254-R257 PolarHBondContact O-N 2.96Å; D254-R257 WeakPolarHBondContact OD2-CD 3.5Å; D254-R257 WeakPolarHBondContact OD2-CG 3.17Å; D254-Q262 PolarHBondContact O-NE2 2.97Å; D254-E663 WeakPolarHBondContact CA-OE2 3.36Å
255S96.7Very high93Very high4 Ų430.8 Ų30.83%0.02815%0.148CC..THydrogen-bonded Turntrans-67.3-18.6-175.6-64.90000112.8V119 F120 L253 E663V119-S255 PolarHBondContact N-O 3.34Å; F120-S255 WeakPolarHBondContact CB-O 3.35Å; F120-S255 PolarHBondContact N-O 3.01Å; L253-S255 PolarHBondContact O-N 3.48Å; S255-E663 VanDerWaalsContact CB-OE1 3.27Å; S255-E663 WeakPolarHBondContact CB-OE1 3.32Å; S255-E663 PolarHBondContact N-OE2 3.07Å; S255-E663 PolarHBondContact OG-OE1 3.45Å
256S94.8Very high93.4Very high16 Ų1633.5 Ų33.511%0.11216%0.161CC..THydrogen-bonded Turntrans-90.9-6-177.7-61.70000113.9R118 D254 S692R118-S256 WeakPolarHBondContact CD-O 3.49Å; D254-S256 PolarHBondContact O-N 3.28Å; D254-S256 WeakPolarHBondContact OD1-CA 3.44Å; D254-S256 WeakPolarHBondContact OD1-CB 3.32Å; D254-S256 PolarHBondContact OD1-N 2.98Å; S256-S692 WeakPolarHBondContact OG-CB 3.26Å; S256-S692 PolarHBondContact OG-OG 2.64Å; S256-S692 VanDerWaalsContact OG-OG 3.05Å
257R94.4Very high93.4Very high68 Ų6836.9 Ų36.926%0.25718%0.179SC..SBendtrans-116.8162.4-180-63.1-175.971.2-167.74.7111.6V119 D254 E261 Q262V119-R257 WeakPolarHBondContact CG2-O 3.4Å; V119-R257 PolarHBondContact N-O 3.19Å; D254-R257 HydrophobicContact CB-CB 4.41Å; D254-R257 HydrophobicContact CB-CG 4.41Å; D254-R257 PolarHBondContact O-N 2.96Å; D254-R257 WeakPolarHBondContact OD2-CD 3.5Å; D254-R257 WeakPolarHBondContact OD2-CG 3.17Å; R257-E261 HydrophobicContact CB-CB 4.33Å; R257-E261 IonicContact CZ-OE2 2.61Å; R257-E261 IonicContact NE-OE2 2.68Å; R257-E261 PolarHBondContact NE-OE2 3.42Å; R257-E261 IonicContact NH2-OE2 3.74Å; R257-E261 PolarHBondContact NH2-OE2 3.31Å; R257-Q262 HydrophobicContact CB-CG 4.34Å; R257-Q262 PolarHBondContact O-NE2 3.49Å
258S96.9Very high93.6Very high0 Ų034.9 Ų34.90%017%0.171CC..BIsolated β-bridgetrans-76.3165.4177.4108.90000113.1W71 F115 S116 D117 M260 E261 Q262W71-S258 PolarHBondContact NE1-OG 3.22Å; F115-S258 WeakPolarHBondContact O-CB 3.48Å; F115-S258 PolarHBondContact O-OG 2.95Å; S116-S258 WeakPolarHBondContact O-CB 2.92Å; D117-S258 VanDerWaalsContact O-CA 3.25Å; D117-S258 WeakPolarHBondContact O-CA 3.48Å; D117-S258 WeakPolarHBondContact O-CB 3.38Å; S258-M260 PolarHBondContact OG-N 2.88Å; S258-E261 WeakPolarHBondContact CB-OE1 3.07Å; S258-E261 PolarHBondContact N-OE1 3Å; S258-E261 PolarHBondContact O-N 3.49Å; S258-E261 PolarHBondContact OG-N 3.28Å; S258-Q262 WeakPolarHBondContact O-CG 3.38Å; S258-Q262 PolarHBondContact O-NE2 3.32Å
259L96.8Very high93.8Very high1 Ų133.1 Ų33.11%0.00516%0.163CC..THydrogen-bonded Turntrans-61.9-43.7174.6-68.9171.8000111.9L99 V113 F115 V119 L140 L253 E261 Q262 V264 L270L99-L259 HydrophobicContact CD2-CD1 4.37Å; V113-L259 HydrophobicContact CG2-CD1 3.75Å; F115-L259 HydrophobicContact CB-CB 4.36Å; F115-L259 HydrophobicContact CD1-CB 3.82Å; F115-L259 HydrophobicContact CD2-CB 4.35Å; F115-L259 HydrophobicContact CD2-CD1 3.74Å; F115-L259 HydrophobicContact CE1-CB 4.2Å; F115-L259 HydrophobicContact CE2-CD1 3.81Å; F115-L259 HydrophobicContact CG-CB 3.91Å; F115-L259 HydrophobicContact CG-CD1 4.16Å; F115-L259 HydrophobicContact CZ-CD1 4.3Å; V119-L259 HydrophobicContact CG2-CD2 3.77Å; V119-L259 HydrophobicContact CG2-CG 4.18Å; L140-L259 HydrophobicContact CD1-CD2 3.93Å; L253-L259 HydrophobicContact CD1-CD2 3.55Å; L259-E261 VanDerWaalsContact C-N 3.29Å; L259-E261 PolarHBondContact O-N 3.45Å; L259-Q262 PolarHBondContact O-N 2.94Å; L259-Q262 VanDerWaalsContact O-N 3.1Å; L259-V264 HydrophobicContact CB-CB 4.24Å; L259-V264 HydrophobicContact CD2-CG2 4.23Å; L259-V264 WeakPolarHBondContact O-CB 3.38Å; L259-V264 PolarHBondContact O-N 2.64Å; L259-L270 HydrophobicContact CD2-CD1 4.06Å
260M95.4Very high94Very high22 Ų2231.9 Ų31.911%0.10816%0.157CC..G310 helixtrans-61.1-38-179.4-163.269.2175.400112.2W64 W71 F115 S258 Q262 D263W64-M260 HydrophobicContact CD2-CE 4.49Å; W64-M260 HydrophobicContact CD2-CG 3.84Å; W64-M260 HydrophobicContact CE3-CG 4.01Å; W64-M260 HydrophobicContact CG-CE 4.29Å; W64-M260 HydrophobicContact CG-CG 4.47Å; W64-M260 HydrophobicContact CH2-CB 4.18Å; W64-M260 HydrophobicContact CH2-CG 3.9Å; W64-M260 HydrophobicContact CZ2-CB 4.48Å; W64-M260 HydrophobicContact CZ2-CG 3.74Å; W64-M260 HydrophobicContact CZ3-CB 4.2Å; W64-M260 HydrophobicContact CZ3-CG 4.04Å; W71-M260 HydrophobicContact CZ2-CB 3.81Å; W71-M260 HydrophobicContact CZ2-CG 3.88Å; F115-M260 HydrophobicContact CB-CB 4.43Å; F115-M260 HydrophobicContact CD1-SD 4.4Å; F115-M260 PolarHBondContact O-N 3.47Å; S258-M260 PolarHBondContact OG-N 2.88Å; M260-Q262 PolarHBondContact O-N 2.93Å; M260-D263 PolarHBondContact O-N 2.9Å
261E94.6Very high94.3Very high37 Ų3729.4 Ų29.417%0.17315%0.145CC..G310 helixtrans-63-22.4177.4-72.5-173.6-105.500114.5W64 R69 R257 S258 L259W64-E261 HydrophobicContact CH2-CB 4.48Å; W64-E261 HydrophobicContact CH2-CG 3.87Å; W64-E261 HydrophobicContact CZ3-CG 4.03Å; R69-E261 PolarHBondContact NH1-O 2.87Å; R69-E261 WeakPolarHBondContact O-CG 3.16Å; R257-E261 HydrophobicContact CB-CB 4.33Å; R257-E261 IonicContact CZ-OE2 2.61Å; R257-E261 IonicContact NE-OE2 2.68Å; R257-E261 PolarHBondContact NE-OE2 3.42Å; R257-E261 IonicContact NH2-OE2 3.74Å; R257-E261 PolarHBondContact NH2-OE2 3.31Å; S258-E261 WeakPolarHBondContact CB-OE1 3.07Å; S258-E261 PolarHBondContact N-OE1 3Å; S258-E261 PolarHBondContact O-N 3.49Å; S258-E261 PolarHBondContact OG-N 3.28Å; L259-E261 VanDerWaalsContact C-N 3.29Å; L259-E261 PolarHBondContact O-N 3.45Å
262Q94.1Very high94.6Very high20 Ų2028.8 Ų28.89%0.09314%0.139CC..G310 helixtrans-105.117.8-172.8-61.6-175.467.300112.6K142 L253 D254 R257 S258 L259 M260 V264K142-Q262 WeakPolarHBondContact CE-O 3.18Å; K142-Q262 PolarHBondContact NZ-O 3.34Å; L253-Q262 VanDerWaalsContact CA-OE1 3.29Å; L253-Q262 HydrophobicContact CD2-CB 4.36Å; D254-Q262 PolarHBondContact O-NE2 2.97Å; R257-Q262 HydrophobicContact CB-CG 4.34Å; R257-Q262 PolarHBondContact O-NE2 3.49Å; S258-Q262 WeakPolarHBondContact O-CG 3.38Å; S258-Q262 PolarHBondContact O-NE2 3.32Å; L259-Q262 PolarHBondContact O-N 2.94Å; L259-Q262 VanDerWaalsContact O-N 3.1Å; M260-Q262 PolarHBondContact O-N 2.93Å; Q262-V264 PolarHBondContact O-N 3.08Å
263D91.8Very high94.7Very high59 Ų5929.3 Ų29.332%0.31614%0.141SC..THydrogen-bonded Turntrans61.728.3178.8-165.145.7000113.5M260 K265M260-D263 PolarHBondContact O-N 2.9Å; D263-K265 WeakPolarHBondContact OD1-CE 3.41Å; D263-K265 IonicContact OD1-NZ 2.81Å; D263-K265 PolarHBondContact OD1-NZ 3.26Å
264V94.2Very high94.8Very high0 Ų029.2 Ų29.20%014%0.141CC..PPolyproline II helixtrans-79.8129169-177.80000108.3L99 F115 L253 L259 Q262 E268 L270L99-V264 HydrophobicContact CD1-CG1 3.94Å; F115-V264 HydrophobicContact CE1-CB 4.29Å; F115-V264 HydrophobicContact CE1-CG1 3.92Å; F115-V264 HydrophobicContact CZ-CG1 4.1Å; L253-V264 HydrophobicContact CD1-CG2 4.2Å; L253-V264 HydrophobicContact CD2-CG2 4.42Å; L259-V264 HydrophobicContact CB-CB 4.24Å; L259-V264 HydrophobicContact CD2-CG2 4.23Å; L259-V264 WeakPolarHBondContact O-CB 3.38Å; L259-V264 PolarHBondContact O-N 2.64Å; Q262-V264 PolarHBondContact O-N 3.08Å; V264-E268 WeakPolarHBondContact CA-OE2 3.37Å; V264-E268 HydrophobicContact CG1-CB 4.34Å; V264-L270 HydrophobicContact CG1-CD1 4Å; V264-L270 HydrophobicContact CG2-CD1 4.26Å
265K92.5Very high94.9Very high93 Ų9328 Ų2840%0.40413%0.134SC..PPolyproline II helixtrans-101.1161.4178.1-54.2-55.8176.2-1630111.8D263 E268D263-K265 WeakPolarHBondContact OD1-CE 3.41Å; D263-K265 IonicContact OD1-NZ 2.81Å; D263-K265 PolarHBondContact OD1-NZ 3.26Å; K265-E268 PolarHBondContact N-OE2 2.77Å; K265-E268 WeakPolarHBondContact O-CB 3.46Å; K265-E268 PolarHBondContact O-N 3.29Å; K265-E268 VanDerWaalsContact O-N 3.14Å
266E91.8Very high94.9Very high99 Ų9927.9 Ų27.946%0.46313%0.133SC..THydrogen-bonded Turntrans-59140.7171.3-176.2159.9-145.200110.8K97 L98 E268K97-E266 HydrophobicContact CB-CB 4.24Å; K97-E266 HydrophobicContact CB-CG 4.09Å; K97-E266 HydrophobicContact CD-CB 4.37Å; L98-E266 HydrophobicContact CB-CG 4.13Å; L98-E266 PolarHBondContact N-OE1 2.78Å; E266-E268 PolarHBondContact O-N 2.57Å; E266-E268 VanDerWaalsContact O-N 3.17Å
267N90.3Very high95Very high72 Ų7229.8 Ų29.839%0.38514%0.138SC..THydrogen-bonded Turntrans60.510.6-172.9-68.4-46.7000115.6L98 R100L98-N267 WeakPolarHBondContact CB-OD1 3.42Å; L98-N267 PolarHBondContact O-N 3.32Å; R100-N267 PolarHBondContact NE-O 3.24Å; R100-N267 PolarHBondContact NH2-O 3.26Å
268E92.5Very high94.9Very high37 Ų3728.2 Ų28.217%0.17314%0.137CC..  trans-66.4149.2170.8-167.8161.4-169.500110.5L99 R100 R145 V264 K265 E266L99-E268 WeakPolarHBondContact CD1-O 3.38Å; R100-E268 PolarHBondContact N-O 3.32Å; R145-E268 IonicContact NH2-OE1 3.44Å; R145-E268 PolarHBondContact NH2-OE1 2.87Å; V264-E268 WeakPolarHBondContact CA-OE2 3.37Å; V264-E268 HydrophobicContact CG1-CB 4.34Å; K265-E268 PolarHBondContact N-OE2 2.77Å; K265-E268 WeakPolarHBondContact O-CB 3.46Å; K265-E268 PolarHBondContact O-N 3.29Å; K265-E268 VanDerWaalsContact O-N 3.14Å; E266-E268 PolarHBondContact O-N 2.57Å; E266-E268 VanDerWaalsContact O-N 3.17Å
269A92.6Very high94.8Very high9 Ų929.6 Ų29.67%0.07414%0.143CC..EExtended strand (participates in β ladder)trans-98121.7178.800000110.5R100 Y108 K143R100-A269 HydrophobicContact CB-CB 4.17Å; R100-A269 CarbonylContact O-C 3.53Å; R100-A269 VanDerWaalsContact O-CA 3.24Å; R100-A269 WeakPolarHBondContact O-CA 3.49Å; Y108-A269 HydrophobicContact CE1-CB 4.29Å; K143-A269 HydrophobicContact CD-CB 4.01Å
270L95.8Very high94.5Very high0 Ų033.6 Ų33.60%016%0.161CC..EExtended strand (participates in β ladder)trans-115.7153.1174.4-64.7-179.2000110.5L99 R100 L101 Q102 L140 K142 L253 L259 V264L99-L270 HydrophobicContact CD1-CD1 3.86Å; L99-L270 HydrophobicContact CD1-CG 4.02Å; L99-L270 HydrophobicContact CD2-CD1 4.07Å; R100-L270 PolarHBondContact O-N 3.05Å; L101-L270 CarbonylContact C-O 3.6Å; L101-L270 WeakPolarHBondContact CA-O 3.48Å; L101-L270 HydrophobicContact CD2-CB 4.23Å; Q102-L270 PolarHBondContact N-O 2.95Å; L140-L270 HydrophobicContact CB-CD1 4.33Å; L140-L270 HydrophobicContact CD1-CD1 4.04Å; K142-L270 HydrophobicContact CB-CD2 4.47Å; K142-L270 HydrophobicContact CG-CD2 3.98Å; L253-L270 HydrophobicContact CD1-CD1 3.9Å; L259-L270 HydrophobicContact CD2-CD1 4.06Å; V264-L270 HydrophobicContact CG1-CD1 4Å; V264-L270 HydrophobicContact CG2-CD1 4.26Å
271L96.3Very high94.1Very high16 Ų1636.1 Ų36.18%0.08418%0.175CC..EExtended strand (participates in β ladder)trans-94.1121.3177-49.5-179.5000108.5Q102 L140 L141 K143 R273Q102-L271 HydrophobicContact CB-CD2 3.62Å; Q102-L271 HydrophobicContact CG-CD2 4.26Å; L140-L271 WeakPolarHBondContact CA-O 3.44Å; L141-L271 HydrophobicContact CB-CB 4.07Å; L141-L271 HydrophobicContact CD2-CD1 3.88Å; L141-L271 HydrophobicContact CG-CB 4.44Å; L141-L271 HydrophobicContact CG-CD1 4.05Å; L141-L271 PolarHBondContact N-O 2.92Å; L141-L271 WeakPolarHBondContact O-CB 3.44Å; L141-L271 PolarHBondContact O-N 3.08Å; K143-L271 HydrophobicContact CG-CD1 4.48Å; K143-L271 HydrophobicContact CG-CD2 3.73Å; K143-L271 HydrophobicContact CG-CG 4.02Å; L271-R273 HydrophobicContact CB-CG 4.11Å
272L97.3Very high93.8Very high1 Ų135.9 Ų35.91%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-85.9118164.9179.864.2000107.6Q102 L103 P104 I126 F130 L138 L140Q102-L272 PolarHBondContact O-N 2.94Å; L103-L272 HydrophobicContact CD2-CB 4.47Å; L103-L272 HydrophobicContact CD2-CD2 3.87Å; P104-L272 VanDerWaalsContact CD-O 3.31Å; P104-L272 WeakPolarHBondContact CD-O 3.4Å; P104-L272 WeakPolarHBondContact CG-O 3.4Å; I126-L272 HydrophobicContact CG2-CD2 4.25Å; F130-L272 HydrophobicContact CD2-CD2 4.27Å; F130-L272 HydrophobicContact CE2-CD2 4.33Å; L138-L272 HydrophobicContact CB-CD1 4.18Å; L138-L272 HydrophobicContact CD2-CD1 4.18Å; L138-L272 HydrophobicContact CD2-CD2 4.45Å; L138-L272 HydrophobicContact CD2-CG 4.19Å; L140-L272 HydrophobicContact CD2-CB 4.4Å; L140-L272 HydrophobicContact CD2-CD1 4.1Å
273R97.8Very high93.2Very high31 Ų3137.1 Ų37.112%0.11718%0.182CC..EExtended strand (participates in β ladder)trans-138.7149.9-176.5-69-66.1179.4-84.66.8110.7Q102 L103 M106 L138 S139 W252 L271 K275Q102-R273 PolarHBondContact O-NH1 2.89Å; L103-R273 PolarHBondContact O-NH1 3.18Å; L103-R273 PolarHBondContact O-NH2 3.24Å; M106-R273 PolarHBondContact SD-NH2 3.46Å; L138-R273 WeakPolarHBondContact CA-O 3.2Å; S139-R273 PolarHBondContact N-O 2.79Å; S139-R273 PolarHBondContact O-N 3.03Å; W252-R273 HydrophobicContact CH2-CB 3.75Å; W252-R273 HydrophobicContact CZ3-CB 4.42Å; L271-R273 HydrophobicContact CB-CG 4.11Å; R273-K275 PolarHBondContact O-N 3.41Å; R273-K275 VanDerWaalsContact O-N 3.14Å
274F98.1Very high92.6Very high1 Ų137.2 Ų37.20%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-66.3111.2164.9-64.5-94.3000107.6P104 E137 L138 F279 R290 Q293 L294 Q297P104-F274 HydrophobicContact CG-CD2 4.41Å; P104-F274 HydrophobicContact CG-CE2 4.27Å; E137-F274 CarbonylContact O-C 3.53Å; L138-F274 HydrophobicContact CD1-CD1 4.04Å; L138-F274 HydrophobicContact CD1-CE1 3.86Å; L138-F274 HydrophobicContact CD2-CD1 4.36Å; L138-F274 HydrophobicContact CD2-CE1 4.17Å; L138-F274 HydrophobicContact CD2-CE2 4.37Å; L138-F274 HydrophobicContact CD2-CZ 4.18Å; L138-F274 HydrophobicContact CG-CD1 3.88Å; L138-F274 HydrophobicContact CG-CE1 4.02Å; L138-F274 HydrophobicContact CG-CG 4.28Å; F274-F279 HydrophobicContact CB-CE1 4.21Å; F274-F279 HydrophobicContact CD1-CD1 4.38Å; F274-F279 HydrophobicContact CD1-CE1 4.09Å; F274-F279 HydrophobicContact CG-CE1 4.4Å; F274-R290 HydrophobicContact CE1-CG 4.25Å; F274-R290 HydrophobicContact CZ-CG 4.29Å; F274-Q293 HydrophobicContact CE2-CB 4.06Å; F274-Q293 HydrophobicContact CZ-CB 4.41Å; F274-L294 HydrophobicContact CB-CD1 4.41Å; F274-L294 HydrophobicContact CD1-CD1 4.11Å; F274-L294 HydrophobicContact CD2-CB 4.45Å; F274-L294 HydrophobicContact CD2-CD1 3.87Å; F274-L294 HydrophobicContact CE1-CB 4.35Å; F274-L294 HydrophobicContact CE1-CD1 4.34Å; F274-L294 HydrophobicContact CE2-CB 3.85Å; F274-L294 HydrophobicContact CE2-CD1 4.13Å; F274-L294 HydrophobicContact CG-CD1 3.87Å; F274-L294 HydrophobicContact CZ-CB 3.79Å; F274-L294 HydrophobicContact CZ-CD1 4.36Å; F274-Q297 HydrophobicContact CD2-CB 4.49Å; F274-Q297 PolarHBondContact O-NE2 3.14Å; F274-Q297 VanDerWaalsContact O-NE2 3.14Å
275K97.9Very high91.8Very high1 Ų144.8 Ų44.80%0.00422%0.219CC..  trans-84.1-40.6-176.7179.4173.5177.3170.40111E137 W252 R273 E663 F664E137-K275 PolarHBondContact O-N 3.29Å; W252-K275 HydrophobicContact CD2-CD 4.17Å; W252-K275 HydrophobicContact CD2-CG 4.23Å; W252-K275 HydrophobicContact CE3-CB 4.37Å; W252-K275 HydrophobicContact CE3-CD 3.87Å; W252-K275 HydrophobicContact CE3-CG 4.11Å; W252-K275 HydrophobicContact CH2-CB 3.59Å; W252-K275 HydrophobicContact CH2-CG 3.95Å; W252-K275 HydrophobicContact CZ2-CB 4.15Å; W252-K275 HydrophobicContact CZ2-CG 4.09Å; W252-K275 HydrophobicContact CZ3-CB 3.74Å; W252-K275 HydrophobicContact CZ3-CD 4.09Å; W252-K275 HydrophobicContact CZ3-CG 3.98Å; R273-K275 PolarHBondContact O-N 3.41Å; R273-K275 VanDerWaalsContact O-N 3.14Å; K275-E663 VanDerWaalsContact NZ-CD 3.33Å; K275-E663 IonicContact NZ-OE1 3.01Å; K275-E663 PolarHBondContact NZ-OE1 2.94Å; K275-F664 HydrophobicContact CD-CE2 4.41Å; K275-F664 HydrophobicContact CD-CZ 4.15Å; K275-F664 HydrophobicContact CG-CE1 3.83Å; K275-F664 HydrophobicContact CG-CE2 4.33Å; K275-F664 HydrophobicContact CG-CZ 3.59Å
276Y97.6Very high91.1Very high3 Ų345.2 Ų45.21%0.01222%0.218CC..  trans-111.4121.2-174.6-58.6-80.7000111.7E136 E137 S278 F279 E663 F664 Y668 L671E136-Y276 VanDerWaalsContact O-CD2 3.27Å; E136-Y276 WeakPolarHBondContact O-CD2 3.42Å; E137-Y276 PolarHBondContact O-N 3.34Å; E137-Y276 VanDerWaalsContact O-N 3.16Å; Y276-S278 PolarHBondContact O-N 3.32Å; Y276-F279 WeakPolarHBondContact O-CE1 3.23Å; Y276-E663 PolarHBondContact OH-O 3.33Å; Y276-F664 HydrophobicContact CD1-CD1 4.36Å; Y276-F664 HydrophobicContact CE1-CD1 4.07Å; Y276-Y668 AromaticContact CD1-CD1 3.91Å; Y276-Y668 HydrophobicContact CD1-CD1 3.91Å; Y276-Y668 HydrophobicContact CD1-CD2 4.11Å; Y276-Y668 AromaticContact CD1-CE1 3.9Å; Y276-Y668 HydrophobicContact CD1-CE1 3.9Å; Y276-Y668 HydrophobicContact CD1-CE2 4.08Å; Y276-Y668 HydrophobicContact CD1-CG 4.04Å; Y276-Y668 AromaticContact CD1-CZ 4Å; Y276-Y668 HydrophobicContact CE1-CD2 4.5Å; Y276-Y668 HydrophobicContact CG-CE1 4.41Å; Y276-L671 HydrophobicContact CD1-CD1 3.88Å; Y276-L671 HydrophobicContact CD2-CD1 3.82Å; Y276-L671 HydrophobicContact CG-CD1 3.36Å
277Y95.9Very high90.8Very high56 Ų5640.5 Ų40.522%0.2220%0.196CC..SBendtrans-83.449.7-177.1-64.5-97.9000113.2F279 W577 F583 G584 Y668Y277-F279 HydrophobicContact CD1-CZ 4.06Å; Y277-W577 AromaticContact CD1-CH2 3.73Å; Y277-W577 HydrophobicContact CD1-CH2 3.73Å; Y277-W577 HydrophobicContact CD1-CZ2 4.06Å; Y277-W577 AromaticContact CE1-CH2 3.46Å; Y277-W577 HydrophobicContact CE1-CH2 3.46Å; Y277-W577 VanDerWaalsContact CE1-CH2 3.46Å; Y277-W577 AromaticContact CE1-CZ2 3.51Å; Y277-W577 HydrophobicContact CE1-CZ2 3.51Å; Y277-F583 HydrophobicContact CD1-CD2 4.43Å; Y277-F583 AromaticContact CD1-CE2 3.67Å; Y277-F583 HydrophobicContact CD1-CE2 3.67Å; Y277-F583 AromaticContact CD1-CZ 3.84Å; Y277-F583 HydrophobicContact CD1-CZ 3.84Å; Y277-F583 HydrophobicContact CE1-CE2 4.41Å; Y277-F583 HydrophobicContact CG-CZ 4.36Å; Y277-G584 VanDerWaalsContact CG-CA 3.49Å; Y277-Y668 PolarHBondContact N-OH 2.96Å
278S93.8Very high90.5Very high35 Ų3539.1 Ų39.125%0.24520%0.195CC..  trans-136.879.7175.9179.50000109.1Y276 F280 R674Y276-S278 PolarHBondContact O-N 3.32Å; S278-F280 PolarHBondContact O-N 3.2Å; S278-R674 PolarHBondContact O-NH2 3.21Å
279F94.1Very high90.3Very high29 Ų2938.4 Ų38.413%0.12719%0.192CC..  trans-80.7117.3-173.4-43-58.7000111E137 F274 Y276 Y277 L282 L294 W577 F583E137-F279 WeakPolarHBondContact OE1-CA 3.46Å; F274-F279 HydrophobicContact CB-CE1 4.21Å; F274-F279 HydrophobicContact CD1-CD1 4.38Å; F274-F279 HydrophobicContact CD1-CE1 4.09Å; F274-F279 HydrophobicContact CG-CE1 4.4Å; Y276-F279 WeakPolarHBondContact O-CE1 3.23Å; Y277-F279 HydrophobicContact CD1-CZ 4.06Å; F279-L282 HydrophobicContact CB-CD1 3.78Å; F279-L282 HydrophobicContact CB-CD2 4.31Å; F279-L282 HydrophobicContact CB-CG 3.92Å; F279-L282 HydrophobicContact CD2-CD1 4.43Å; F279-L282 HydrophobicContact CG-CD1 4.38Å; F279-L294 HydrophobicContact CD1-CD1 4.32Å; F279-L294 HydrophobicContact CD1-CD2 4.06Å; F279-L294 HydrophobicContact CD2-CD2 3.77Å; F279-L294 HydrophobicContact CE1-CD1 3.71Å; F279-L294 HydrophobicContact CE1-CD2 4.25Å; F279-L294 HydrophobicContact CE2-CD1 3.96Å; F279-L294 HydrophobicContact CE2-CD2 3.98Å; F279-L294 HydrophobicContact CG-CD2 3.83Å; F279-L294 HydrophobicContact CZ-CD1 3.52Å; F279-L294 HydrophobicContact CZ-CD2 4.23Å; F279-L294 HydrophobicContact CZ-CG 4.49Å; F279-W577 HydrophobicContact CE2-CH2 4.42Å; F279-W577 AromaticContact CE2-CZ3 3.79Å; F279-W577 HydrophobicContact CE2-CZ3 3.79Å; F279-W577 HydrophobicContact CZ-CH2 4.17Å; F279-W577 AromaticContact CZ-CZ3 3.96Å; F279-W577 HydrophobicContact CZ-CZ3 3.96Å; F279-F583 HydrophobicContact CE2-CE2 4.42Å; F279-F583 AromaticContact CE2-CZ 3.95Å; F279-F583 HydrophobicContact CE2-CZ 3.95Å
280F89.9Confident90.3Very high84 Ų8438 Ų3837%0.36819%0.188SC..  trans-93.4139.1179.6-172.9-98.3000111.3H134 E137 S278 L282 R290H134-F280 AromaticContact CE1-CD1 3.69Å; H134-F280 AromaticContact NE2-CD1 3.94Å; E137-F280 PolarHBondContact OE1-N 3.05Å; S278-F280 PolarHBondContact O-N 3.2Å; F280-L282 PolarHBondContact O-N 3.44Å; F280-R290 PolarHBondContact O-NH1 3.22Å; F280-R290 PolarHBondContact O-NH2 3.17Å
281D88.2Confident90.1Very high75 Ų7538 Ų3840%0.40119%0.189SC..  trans44.455.4173.5-177.148.2000113.8R133 N283 R290R133-D281 IonicContact CZ-OD2 3.45Å; R133-D281 IonicContact NH1-OD2 2.73Å; R133-D281 PolarHBondContact NH1-OD2 2.81Å; R133-D281 PolarHBondContact NH2-O 3.41Å; R133-D281 IonicContact NH2-OD2 3.36Å; R133-D281 PolarHBondContact NH2-OD2 2.83Å; D281-N283 PolarHBondContact O-N 2.78Å; D281-R290 PolarHBondContact O-NH1 2.93Å
282L87.7Confident90Very high33 Ų3337.3 Ų37.317%0.17319%0.185CC..  trans-68.498.2172-74.4175.4000109.2F279 F280 R290 I291 L294 M571F279-L282 HydrophobicContact CB-CD1 3.78Å; F279-L282 HydrophobicContact CB-CD2 4.31Å; F279-L282 HydrophobicContact CB-CG 3.92Å; F279-L282 HydrophobicContact CD2-CD1 4.43Å; F279-L282 HydrophobicContact CG-CD1 4.38Å; F280-L282 PolarHBondContact O-N 3.44Å; L282-R290 HydrophobicContact CD2-CG 4.48Å; L282-I291 HydrophobicContact CD2-CG1 4.32Å; L282-L294 HydrophobicContact CD1-CD2 3.9Å; L282-L294 HydrophobicContact CD2-CD2 4.1Å; L282-M571 HydrophobicContact CB-CE 3.72Å; L282-M571 HydrophobicContact CB-SD 4.28Å; L282-M571 HydrophobicContact CD1-CE 4.33Å
283N81.9Confident89.9Confident45 Ų4537.3 Ų37.324%0.24119%0.185CC..  trans-109.2110.2-172.8-168.8-33000111.6D281 K285 Y286 D287D281-N283 PolarHBondContact O-N 2.78Å; N283-K285 PolarHBondContact O-N 3.09Å; N283-K285 WeakPolarHBondContact OD1-CB 3.38Å; N283-K285 PolarHBondContact OD1-N 3.29Å; N283-Y286 HydrophobicContact CB-CD2 4.1Å; N283-Y286 WeakPolarHBondContact ND2-CD2 3.47Å; N283-Y286 PolarHBondContact O-N 3.04Å; N283-D287 PolarHBondContact N-OD2 3.16Å; N283-D287 WeakPolarHBondContact O-CB 3.33Å; N283-D287 PolarHBondContact O-N 2.87Å
284P79.3Confident89.9Confident61 Ų6135.9 Ų35.940%0.39618%0.179SC..THydrogen-bonded Turntrans-50.5-26.8178.9-32.639000115.7I567 M571P284-I567 HydrophobicContact CB-CG2 3.64Å; P284-I567 HydrophobicContact CG-CG2 4.18Å; P284-M571 HydrophobicContact CG-CG 4.42Å
285K77.5Confident89.8Confident160 Ų16035.8 Ų35.870%0.69618%0.179SC*.THydrogen-bonded Turntrans-75.1-34.8-178.5-172.4175.2177.6-1770113.1N283N283-K285 PolarHBondContact O-N 3.09Å; N283-K285 WeakPolarHBondContact OD1-CB 3.38Å; N283-K285 PolarHBondContact OD1-N 3.29Å
286Y76.8Confident89.7Confident102 Ų10236 Ų3640%0.418%0.18SC..THydrogen-bonded Turntrans-112.2-23.9-171.8-54.5-68.4000113N283N283-Y286 HydrophobicContact CB-CD2 4.1Å; N283-Y286 WeakPolarHBondContact ND2-CD2 3.47Å; N283-Y286 PolarHBondContact O-N 3.04Å
287D84.7Confident89.6Confident0 Ų036.6 Ų36.60%018%0.183CC..  trans-106.331.8-167.7-74.7-22.9000114.1R133 N283 I289 R290 I291R133-D287 IonicContact CZ-OD1 2.64Å; R133-D287 IonicContact CZ-OD2 2.73Å; R133-D287 IonicContact NE-OD1 3.66Å; R133-D287 PolarHBondContact NE-OD1 3.07Å; R133-D287 IonicContact NE-OD2 3.41Å; R133-D287 VanDerWaalsContact NH2-CG 3.28Å; R133-D287 IonicContact NH2-OD1 3.44Å; R133-D287 PolarHBondContact NH2-OD1 2.66Å; R133-D287 IonicContact NH2-OD2 2.66Å; R133-D287 PolarHBondContact NH2-OD2 3.15Å; N283-D287 PolarHBondContact N-OD2 3.16Å; N283-D287 WeakPolarHBondContact O-CB 3.33Å; N283-D287 PolarHBondContact O-N 2.87Å; D287-I289 VanDerWaalsContact C-N 3.27Å; D287-I289 PolarHBondContact O-N 3.41Å; D287-R290 HydrophobicContact CB-CB 4.03Å; D287-R290 PolarHBondContact O-N 3.15Å; D287-R290 IonicContact OD2-CZ 2.64Å; D287-R290 IonicContact OD2-NH1 2.78Å; D287-R290 PolarHBondContact OD2-NH1 2.99Å; D287-I291 HydrophobicContact CB-CD1 3.86Å; D287-I291 HydrophobicContact CB-CG1 3.9Å; D287-I291 VanDerWaalsContact O-CB 3.26Å; D287-I291 WeakPolarHBondContact O-CB 3.27Å; D287-I291 VanDerWaalsContact O-CG1 3.27Å; D287-I291 WeakPolarHBondContact O-CG1 3.28Å; D287-I291 PolarHBondContact O-N 2.74Å
288A85Confident89.7Confident42 Ų4233.9 Ų33.935%0.34717%0.172SC..Hα-helixtrans-53-43.5-177.300000112.9N292A288-N292 VanDerWaalsContact O-CB 3.3Å; A288-N292 WeakPolarHBondContact O-CB 3.49Å; A288-N292 PolarHBondContact O-N 2.8Å; A288-N292 VanDerWaalsContact O-N 3.1Å
289I87.4Confident89.7Confident23 Ų2332.3 Ų32.312%0.11816%0.161CC..Hα-helixtrans-73.9-48.1178.2-63.7164.5000111.2F130 N131 I132 L221 A222 D287 I291 N292 Q293F130-I289 WeakPolarHBondContact O-CD1 3.46Å; N131-I289 HydrophobicContact CB-CD1 4.03Å; I132-I289 HydrophobicContact CD1-CG2 4.38Å; I132-I289 HydrophobicContact CG1-CG2 3.92Å; L221-I289 HydrophobicContact CB-CG2 4.05Å; A222-I289 HydrophobicContact CB-CG1 3.79Å; D287-I289 VanDerWaalsContact C-N 3.27Å; D287-I289 PolarHBondContact O-N 3.41Å; I289-I291 PolarHBondContact O-N 3.35Å; I289-N292 PolarHBondContact O-N 3.46Å; I289-N292 VanDerWaalsContact O-N 3.15Å; I289-Q293 HydrophobicContact CG2-CG 4.25Å; I289-Q293 WeakPolarHBondContact O-CG 3.4Å; I289-Q293 PolarHBondContact O-N 3.41Å
290R93.3Very high89.7Confident0 Ų032.1 Ų32.10%016%0.159CC..Hα-helixtrans-57.5-46.6178.3177.8-176.1178.3-145.14.6111.7I132 R133 H134 E137 F274 F280 D281 L282 D287 Q293 L294I132-R290 HydrophobicContact CG2-CB 4.07Å; I132-R290 HydrophobicContact CG2-CG 4.1Å; R133-R290 WeakPolarHBondContact O-CD 3.28Å; R133-R290 PolarHBondContact O-NE 2.86Å; H134-R290 PolarHBondContact CD2-NH1 3.49Å; E137-R290 IonicContact OE1-NH2 2.78Å; E137-R290 PolarHBondContact OE1-NH2 2.93Å; E137-R290 IonicContact OE2-CZ 3.52Å; E137-R290 IonicContact OE2-NE 3.83Å; E137-R290 IonicContact OE2-NH2 2.72Å; E137-R290 PolarHBondContact OE2-NH2 2.91Å; F274-R290 HydrophobicContact CE1-CG 4.25Å; F274-R290 HydrophobicContact CZ-CG 4.29Å; F280-R290 PolarHBondContact O-NH1 3.22Å; F280-R290 PolarHBondContact O-NH2 3.17Å; D281-R290 PolarHBondContact O-NH1 2.93Å; L282-R290 HydrophobicContact CD2-CG 4.48Å; D287-R290 HydrophobicContact CB-CB 4.03Å; D287-R290 PolarHBondContact O-N 3.15Å; D287-R290 IonicContact OD2-CZ 2.64Å; D287-R290 IonicContact OD2-NH1 2.78Å; D287-R290 PolarHBondContact OD2-NH1 2.99Å; R290-Q293 PolarHBondContact O-N 3.44Å; R290-L294 VanDerWaalsContact O-CB 3.29Å; R290-L294 WeakPolarHBondContact O-CB 3.49Å; R290-L294 PolarHBondContact O-N 3.43Å
291I92.7Very high89.8Confident1 Ų128.6 Ų28.61%0.00515%0.146CC..Hα-helixtrans-62.8-43.1176.1-68.7165.5000110.4L282 D287 I289 L294 Y295 I567 K570 M571 I574L282-I291 HydrophobicContact CD2-CG1 4.32Å; D287-I291 HydrophobicContact CB-CD1 3.86Å; D287-I291 HydrophobicContact CB-CG1 3.9Å; D287-I291 VanDerWaalsContact O-CB 3.26Å; D287-I291 WeakPolarHBondContact O-CB 3.27Å; D287-I291 VanDerWaalsContact O-CG1 3.27Å; D287-I291 WeakPolarHBondContact O-CG1 3.28Å; D287-I291 PolarHBondContact O-N 2.74Å; I289-I291 PolarHBondContact O-N 3.35Å; I291-L294 PolarHBondContact O-N 3.33Å; I291-Y295 VanDerWaalsContact O-CB 3.31Å; I291-Y295 WeakPolarHBondContact O-CB 3.35Å; I291-Y295 PolarHBondContact O-N 2.8Å; I291-I567 HydrophobicContact CD1-CG2 4.02Å; I291-I567 HydrophobicContact CG2-CG2 4.42Å; I291-K570 HydrophobicContact CG2-CB 3.87Å; I291-K570 HydrophobicContact CG2-CD 4.45Å; I291-M571 HydrophobicContact CD1-CG 4.39Å; I291-M571 HydrophobicContact CD1-SD 3.8Å; I291-M571 HydrophobicContact CG1-SD 3.89Å; I291-M571 HydrophobicContact CG2-CG 4.3Å; I291-M571 HydrophobicContact CG2-SD 3.98Å; I291-I574 HydrophobicContact CG2-CD1 4.09Å
292N93.5Very high90.1Very high0 Ų025.1 Ų25.10%013%0.127CC..Hα-helixtrans-61.3-49.4177.8-171.957.6000112L221 A222 V223 A288 I289 L294 Y295 E296 K570L221-N292 PolarHBondContact O-ND2 2.87Å; A222-N292 PolarHBondContact O-ND2 2.94Å; A222-N292 PolarHBondContact O-OD1 2.92Å; V223-N292 PolarHBondContact O-ND2 2.79Å; A288-N292 VanDerWaalsContact O-CB 3.3Å; A288-N292 WeakPolarHBondContact O-CB 3.49Å; A288-N292 PolarHBondContact O-N 2.8Å; A288-N292 VanDerWaalsContact O-N 3.1Å; I289-N292 PolarHBondContact O-N 3.46Å; I289-N292 VanDerWaalsContact O-N 3.15Å; N292-L294 VanDerWaalsContact C-N 3.31Å; N292-L294 PolarHBondContact O-N 3.16Å; N292-Y295 PolarHBondContact O-N 2.97Å; N292-E296 WeakPolarHBondContact O-CB 3.34Å; N292-E296 WeakPolarHBondContact O-CG 3.43Å; N292-E296 PolarHBondContact O-N 3.46Å; N292-K570 WeakPolarHBondContact OD1-CE 3.43Å; N292-K570 PolarHBondContact OD1-NZ 2.9Å
293Q94.8Very high90.3Very high2 Ų223.7 Ų23.71%0.00912%0.12CC..Hα-helixtrans-65.9-34.9180-64.3-59.9-31.600111.8P104 N105 L221 F274 I289 R290 E296 Q297P104-Q293 HydrophobicContact CB-CB 4.3Å; P104-Q293 VanDerWaalsContact CB-O 3.23Å; P104-Q293 WeakPolarHBondContact CB-O 3.45Å; P104-Q293 HydrophobicContact CG-CB 4.14Å; N105-Q293 PolarHBondContact ND2-NE2 2.6Å; L221-Q293 PolarHBondContact O-NE2 2.62Å; F274-Q293 HydrophobicContact CE2-CB 4.06Å; F274-Q293 HydrophobicContact CZ-CB 4.41Å; I289-Q293 HydrophobicContact CG2-CG 4.25Å; I289-Q293 WeakPolarHBondContact O-CG 3.4Å; I289-Q293 PolarHBondContact O-N 3.41Å; R290-Q293 PolarHBondContact O-N 3.44Å; Q293-E296 PolarHBondContact O-N 2.91Å; Q293-Q297 PolarHBondContact O-N 3.14Å
294L97.2Very high90.6Very high0 Ų022.7 Ų22.70%011%0.114CC..Hα-helixtrans-68.4-43.9175.5-176.957.8000112F274 F279 L282 R290 I291 N292 E296 Q297 A298 I574 W577F274-L294 HydrophobicContact CB-CD1 4.41Å; F274-L294 HydrophobicContact CD1-CD1 4.11Å; F274-L294 HydrophobicContact CD2-CB 4.45Å; F274-L294 HydrophobicContact CD2-CD1 3.87Å; F274-L294 HydrophobicContact CE1-CB 4.35Å; F274-L294 HydrophobicContact CE1-CD1 4.34Å; F274-L294 HydrophobicContact CE2-CB 3.85Å; F274-L294 HydrophobicContact CE2-CD1 4.13Å; F274-L294 HydrophobicContact CG-CD1 3.87Å; F274-L294 HydrophobicContact CZ-CB 3.79Å; F274-L294 HydrophobicContact CZ-CD1 4.36Å; F279-L294 HydrophobicContact CD1-CD1 4.32Å; F279-L294 HydrophobicContact CD1-CD2 4.06Å; F279-L294 HydrophobicContact CD2-CD2 3.77Å; F279-L294 HydrophobicContact CE1-CD1 3.71Å; F279-L294 HydrophobicContact CE1-CD2 4.25Å; F279-L294 HydrophobicContact CE2-CD1 3.96Å; F279-L294 HydrophobicContact CE2-CD2 3.98Å; F279-L294 HydrophobicContact CG-CD2 3.83Å; F279-L294 HydrophobicContact CZ-CD1 3.52Å; F279-L294 HydrophobicContact CZ-CD2 4.23Å; F279-L294 HydrophobicContact CZ-CG 4.49Å; L282-L294 HydrophobicContact CD1-CD2 3.9Å; L282-L294 HydrophobicContact CD2-CD2 4.1Å; R290-L294 VanDerWaalsContact O-CB 3.29Å; R290-L294 WeakPolarHBondContact O-CB 3.49Å; R290-L294 PolarHBondContact O-N 3.43Å; I291-L294 PolarHBondContact O-N 3.33Å; N292-L294 VanDerWaalsContact C-N 3.31Å; N292-L294 PolarHBondContact O-N 3.16Å; L294-E296 VanDerWaalsContact C-N 3.33Å; L294-E296 PolarHBondContact O-N 3.32Å; L294-Q297 PolarHBondContact O-N 3.05Å; L294-A298 PolarHBondContact O-N 3.42Å; L294-I574 HydrophobicContact CB-CD1 4.16Å; L294-I574 HydrophobicContact CD2-CD1 4.03Å; L294-I574 HydrophobicContact CD2-CG2 4.08Å; L294-I574 HydrophobicContact CG-CD1 3.98Å; L294-I574 HydrophobicContact CG-CG1 4.27Å; L294-I574 HydrophobicContact CG-CG2 4.45Å; L294-W577 HydrophobicContact CD1-CH2 4.3Å; L294-W577 HydrophobicContact CD1-CZ3 3.94Å
295Y96.9Very high91.1Very high0 Ų021.6 Ų21.60%010%0.104CC..Hα-helixtrans-58-45.9172153.9-102.4000111.2S224 I291 N292 Q297 A298 K299 I324 K570 F573S224-Y295 WeakPolarHBondContact OG-CE1 3.25Å; I291-Y295 VanDerWaalsContact O-CB 3.31Å; I291-Y295 WeakPolarHBondContact O-CB 3.35Å; I291-Y295 PolarHBondContact O-N 2.8Å; N292-Y295 PolarHBondContact O-N 2.97Å; Y295-Q297 PolarHBondContact O-N 2.82Å; Y295-A298 PolarHBondContact O-N 3.46Å; Y295-K299 HydrophobicContact CE1-CD 4.38Å; Y295-K299 HydrophobicContact CE2-CB 4.37Å; Y295-K299 WeakPolarHBondContact O-CB 3.42Å; Y295-K299 PolarHBondContact O-N 3.08Å; Y295-I324 HydrophobicContact CD2-CD1 4.02Å; Y295-I324 HydrophobicContact CE1-CD1 4.46Å; Y295-I324 HydrophobicContact CE1-CG2 4.04Å; Y295-I324 HydrophobicContact CE2-CD1 3.46Å; Y295-I324 VanDerWaalsContact CE2-CD1 3.46Å; Y295-K570 HydrophobicContact CD1-CD 4.34Å; Y295-K570 HydrophobicContact CD1-CG 4.14Å; Y295-K570 HydrophobicContact CD2-CG 4.45Å; Y295-K570 HydrophobicContact CG-CB 4.31Å; Y295-K570 HydrophobicContact CG-CG 4.02Å; Y295-F573 HydrophobicContact CD2-CB 3.93Å; Y295-F573 AromaticContact CD2-CD1 3.74Å; Y295-F573 HydrophobicContact CD2-CD1 3.74Å; Y295-F573 HydrophobicContact CD2-CD2 4.12Å; Y295-F573 HydrophobicContact CD2-CE1 4.28Å; Y295-F573 AromaticContact CD2-CG 3.67Å; Y295-F573 HydrophobicContact CD2-CG 3.67Å; Y295-F573 HydrophobicContact CE2-CB 4.26Å; Y295-F573 HydrophobicContact CE2-CD1 4.08Å; Y295-F573 AromaticContact CE2-CD2 3.7Å; Y295-F573 HydrophobicContact CE2-CD2 3.7Å; Y295-F573 HydrophobicContact CE2-CE1 4.36Å; Y295-F573 HydrophobicContact CE2-CE2 4Å; Y295-F573 AromaticContact CE2-CG 3.75Å; Y295-F573 HydrophobicContact CE2-CG 3.75Å; Y295-F573 HydrophobicContact CE2-CZ 4.34Å
296E95.4Very high91.6Very high4 Ų419.3 Ų19.32%0.01910%0.096CC..Hα-helixtrans-61.2-43.6177.5-77.4-71.9156.500111.6N105 S224 N292 Q293 L294 A298 K299 W300N105-E296 HydrophobicContact CB-CB 3.97Å; N105-E296 HydrophobicContact CB-CG 3.72Å; S224-E296 PolarHBondContact OG-OE1 3Å; N292-E296 WeakPolarHBondContact O-CB 3.34Å; N292-E296 WeakPolarHBondContact O-CG 3.43Å; N292-E296 PolarHBondContact O-N 3.46Å; Q293-E296 PolarHBondContact O-N 2.91Å; L294-E296 VanDerWaalsContact C-N 3.33Å; L294-E296 PolarHBondContact O-N 3.32Å; E296-A298 VanDerWaalsContact C-N 3.34Å; E296-A298 PolarHBondContact O-N 2.88Å; E296-K299 PolarHBondContact O-N 3.34Å; E296-K299 IonicContact OE1-NZ 3.6Å; E296-K299 PolarHBondContact OE1-NZ 2.86Å; E296-K299 WeakPolarHBondContact OE2-CE 3.32Å; E296-K299 IonicContact OE2-NZ 3.69Å; E296-K299 PolarHBondContact OE2-NZ 3.19Å; E296-W300 PolarHBondContact O-N 2.72Å; E296-W300 PolarHBondContact OE2-NE1 2.81Å
297Q96.2Very high92.2Very high16 Ų1615.4 Ų15.48%0.0758%0.081CC..Hα-helixtrans-58.8-45.5174.7-163.2167-69.700111.7P104 F274 Q293 L294 Y295 A301P104-Q297 HydrophobicContact CB-CB 3.99Å; F274-Q297 HydrophobicContact CD2-CB 4.49Å; F274-Q297 PolarHBondContact O-NE2 3.14Å; F274-Q297 VanDerWaalsContact O-NE2 3.14Å; Q293-Q297 PolarHBondContact O-N 3.14Å; L294-Q297 PolarHBondContact O-N 3.05Å; Y295-Q297 PolarHBondContact O-N 2.82Å; Q297-A301 WeakPolarHBondContact O-CB 3.28Å; Q297-A301 PolarHBondContact O-N 2.93Å
298A96.4Very high92.4Very high0 Ų021.8 Ų21.80%011%0.111CC..Hα-helixtrans-64.3-43.8178.200000111.8L294 Y295 E296 A301 I302 F573 W577L294-A298 PolarHBondContact O-N 3.42Å; Y295-A298 PolarHBondContact O-N 3.46Å; E296-A298 VanDerWaalsContact C-N 3.34Å; E296-A298 PolarHBondContact O-N 2.88Å; A298-A301 PolarHBondContact O-N 3.17Å; A298-I302 WeakPolarHBondContact O-CG1 3.47Å; A298-I302 PolarHBondContact O-N 3.32Å; A298-F573 HydrophobicContact CB-CD1 4.23Å; A298-F573 HydrophobicContact CB-CE1 3.94Å; A298-W577 HydrophobicContact CB-CB 4.22Å; A298-W577 HydrophobicContact CB-CD2 3.49Å; A298-W577 VanDerWaalsContact CB-CD2 3.49Å; A298-W577 HydrophobicContact CB-CE3 3.65Å; A298-W577 HydrophobicContact CB-CG 3.76Å; A298-W577 HydrophobicContact CB-CH2 4.36Å; A298-W577 HydrophobicContact CB-CZ2 4.24Å; A298-W577 HydrophobicContact CB-CZ3 4.09Å
299K95.2Very high92.7Very high2 Ų220.5 Ų20.51%0.00910%0.1CC..Hα-helixtrans-58.2-50.9177.6-176.3-170.175.4-1760111.1Y295 E296 A301 I302 L303 Q321 F573Y295-K299 HydrophobicContact CE1-CD 4.38Å; Y295-K299 HydrophobicContact CE2-CB 4.37Å; Y295-K299 WeakPolarHBondContact O-CB 3.42Å; Y295-K299 PolarHBondContact O-N 3.08Å; E296-K299 PolarHBondContact O-N 3.34Å; E296-K299 IonicContact OE1-NZ 3.6Å; E296-K299 PolarHBondContact OE1-NZ 2.86Å; E296-K299 WeakPolarHBondContact OE2-CE 3.32Å; E296-K299 IonicContact OE2-NZ 3.69Å; E296-K299 PolarHBondContact OE2-NZ 3.19Å; K299-A301 PolarHBondContact O-N 2.87Å; K299-I302 PolarHBondContact O-N 3.45Å; K299-L303 HydrophobicContact CD-CD1 4.46Å; K299-L303 HydrophobicContact CG-CD1 3.86Å; K299-L303 HydrophobicContact CG-CG 4.44Å; K299-L303 WeakPolarHBondContact O-CB 3.43Å; K299-L303 VanDerWaalsContact O-CG 3.3Å; K299-L303 WeakPolarHBondContact O-CG 3.48Å; K299-L303 PolarHBondContact O-N 3.34Å; K299-Q321 HydrophobicContact CD-CG 4.12Å; K299-F573 HydrophobicContact CB-CE1 4.3Å; K299-F573 HydrophobicContact CB-CZ 4.09Å; K299-F573 HydrophobicContact CG-CZ 4.44Å
300W93.3Very high92.9Very high24 Ų2423.1 Ų23.19%0.09112%0.117CC..Hα-helixtrans-64.9-39.4178.5-75.2110.4000112.2M106 I227 L233 M236 E296 I302 L303 L304M106-W300 HydrophobicContact CB-CZ2 4.37Å; M106-W300 HydrophobicContact CG-CD2 3.73Å; M106-W300 VanDerWaalsContact CG-CE2 3.41Å; M106-W300 HydrophobicContact CG-CE3 4.45Å; M106-W300 HydrophobicContact CG-CG 3.91Å; M106-W300 HydrophobicContact CG-CZ2 3.89Å; M106-W300 HydrophobicContact SD-CG 4.5Å; I227-W300 HydrophobicContact CD1-CH2 3.96Å; I227-W300 HydrophobicContact CD1-CZ2 4.43Å; I227-W300 HydrophobicContact CD1-CZ3 4.27Å; I227-W300 HydrophobicContact CG1-CH2 4.09Å; I227-W300 HydrophobicContact CG1-CZ2 4.29Å; I227-W300 HydrophobicContact CG2-CH2 4.48Å; L233-W300 HydrophobicContact CD1-CZ3 4.03Å; M236-W300 HydrophobicContact SD-CH2 4.48Å; M236-W300 HydrophobicContact SD-CZ3 4.26Å; E296-W300 PolarHBondContact O-N 2.72Å; E296-W300 PolarHBondContact OE2-NE1 2.81Å; W300-I302 VanDerWaalsContact C-N 3.31Å; W300-I302 PolarHBondContact O-N 3.5Å; W300-L303 PolarHBondContact O-N 2.88Å; W300-L304 HydrophobicContact CE3-CD1 4.14Å; W300-L304 HydrophobicContact CE3-CG 4.19Å; W300-L304 VanDerWaalsContact O-CB 3.22Å; W300-L304 WeakPolarHBondContact O-CB 3.27Å; W300-L304 VanDerWaalsContact O-CG 3.29Å; W300-L304 WeakPolarHBondContact O-CG 3.27Å; W300-L304 PolarHBondContact O-N 3.43Å
301A92.9Very high92.6Very high10 Ų1025 Ų258%0.08313%0.126CC..Hα-helixtrans-60.8-39175.600000112.6Q297 A298 K299 E305 E306 I307Q297-A301 WeakPolarHBondContact O-CB 3.28Å; Q297-A301 PolarHBondContact O-N 2.93Å; A298-A301 PolarHBondContact O-N 3.17Å; K299-A301 PolarHBondContact O-N 2.87Å; A301-E305 PolarHBondContact O-N 2.95Å; A301-E306 HydrophobicContact CB-CB 4.19Å; A301-E306 PolarHBondContact O-N 3.49Å; A301-I307 HydrophobicContact CB-CG2 4.2Å; A301-I307 PolarHBondContact O-N 3.26Å
302I93.5Very high92.3Very high3 Ų330.9 Ų30.92%0.01515%0.153CC..Hα-helixtrans-72.8-46.7177.5-69.7163.3000111.2A298 K299 W300 L304 E305 I307 M314 F317 F573 W577A298-I302 WeakPolarHBondContact O-CG1 3.47Å; A298-I302 PolarHBondContact O-N 3.32Å; K299-I302 PolarHBondContact O-N 3.45Å; W300-I302 VanDerWaalsContact C-N 3.31Å; W300-I302 PolarHBondContact O-N 3.5Å; I302-L304 PolarHBondContact O-N 2.88Å; I302-E305 PolarHBondContact O-N 3.41Å; I302-I307 HydrophobicContact CG1-CG2 3.84Å; I302-M314 HydrophobicContact CG2-CE 3.59Å; I302-M314 HydrophobicContact CG2-SD 4.07Å; I302-F317 HydrophobicContact CD1-CD1 3.77Å; I302-F317 HydrophobicContact CD1-CD2 3.88Å; I302-F317 HydrophobicContact CD1-CE1 3.6Å; I302-F317 HydrophobicContact CD1-CE2 3.73Å; I302-F317 HydrophobicContact CD1-CG 3.92Å; I302-F317 HydrophobicContact CD1-CZ 3.6Å; I302-F317 HydrophobicContact CG1-CE2 4.5Å; I302-F317 HydrophobicContact CG2-CD2 4.16Å; I302-F573 HydrophobicContact CD1-CE1 3.68Å; I302-F573 HydrophobicContact CD1-CZ 3.79Å; I302-W577 HydrophobicContact CD1-CB 4.4Å
303L91.5Very high92.2Very high3 Ų333.7 Ų33.72%0.01617%0.166CC..Hα-helixtrans-68.2-34.5-177.5-69.7176.4000112.9I227 L233 K299 W300 E305 S523I227-L303 HydrophobicContact CD1-CD1 3.5Å; L233-L303 HydrophobicContact CD1-CB 4Å; K299-L303 HydrophobicContact CD-CD1 4.46Å; K299-L303 HydrophobicContact CG-CD1 3.86Å; K299-L303 HydrophobicContact CG-CG 4.44Å; K299-L303 WeakPolarHBondContact O-CB 3.43Å; K299-L303 VanDerWaalsContact O-CG 3.3Å; K299-L303 WeakPolarHBondContact O-CG 3.48Å; K299-L303 PolarHBondContact O-N 3.34Å; W300-L303 PolarHBondContact O-N 2.88Å; L303-E305 VanDerWaalsContact C-N 3.29Å; L303-S523 VanDerWaalsContact O-CB 3.32Å; L303-S523 WeakPolarHBondContact O-CB 3.21Å
304L89.6Confident92.1Very high24 Ų2433.7 Ų33.713%0.12617%0.166CC..THydrogen-bonded Turntrans-85.90.6177-61.4175.5000113.3L233 M236 F237 W300 I302 E306L233-L304 HydrophobicContact CD1-CD2 3.94Å; M236-L304 HydrophobicContact CB-CD2 3.97Å; F237-L304 HydrophobicContact CB-CD2 4.38Å; W300-L304 HydrophobicContact CE3-CD1 4.14Å; W300-L304 HydrophobicContact CE3-CG 4.19Å; W300-L304 VanDerWaalsContact O-CB 3.22Å; W300-L304 WeakPolarHBondContact O-CB 3.27Å; W300-L304 VanDerWaalsContact O-CG 3.29Å; W300-L304 WeakPolarHBondContact O-CG 3.27Å; W300-L304 PolarHBondContact O-N 3.43Å; I302-L304 PolarHBondContact O-N 2.88Å; L304-E306 HydrophobicContact CB-CG 4.23Å; L304-E306 PolarHBondContact O-N 2.89Å
305E88.4Confident91.7Very high38 Ų3833.9 Ų33.918%0.17817%0.167CC..THydrogen-bonded Turntrans55.236.6-176.8-51.1-171150.200113F237 K245 A301 I302 L303 I307 S523 R525F237-E305 HydrophobicContact CE2-CB 3.96Å; F237-E305 HydrophobicContact CE2-CG 3.7Å; F237-E305 HydrophobicContact CZ-CG 4.36Å; F237-E305 WeakPolarHBondContact CZ-OE2 3.25Å; K245-E305 PolarHBondContact NZ-O 3.3Å; A301-E305 PolarHBondContact O-N 2.95Å; I302-E305 PolarHBondContact O-N 3.41Å; L303-E305 VanDerWaalsContact C-N 3.29Å; E305-I307 VanDerWaalsContact C-N 3.3Å; E305-S523 WeakPolarHBondContact OE1-CB 3.44Å; E305-S523 PolarHBondContact OE1-OG 3.25Å; E305-R525 WeakPolarHBondContact OE1-CB 3.43Å; E305-R525 WeakPolarHBondContact OE1-CD 3.43Å; E305-R525 IonicContact OE1-NE 3.84Å; E305-R525 PolarHBondContact OE1-NE 3.21Å
306E88.4Confident91.4Very high112 Ų11236.8 Ų36.852%0.52318%0.182SC..SBendtrans-67.5-38.6167.4-64.6-176.6173.200110K245 A301 L304K245-E306 PolarHBondContact NZ-O 3.31Å; A301-E306 HydrophobicContact CB-CB 4.19Å; A301-E306 PolarHBondContact O-N 3.49Å; L304-E306 HydrophobicContact CB-CG 4.23Å; L304-E306 PolarHBondContact O-N 2.89Å
307I90.1Very high91.3Very high19 Ų1936.9 Ų36.910%0.09718%0.182CC..SBendtrans-116.3139.9170.8-167.3164.5000110.4A301 I302 E305 L580 E582 F583A301-I307 HydrophobicContact CB-CG2 4.2Å; A301-I307 PolarHBondContact O-N 3.26Å; I302-I307 HydrophobicContact CG1-CG2 3.84Å; E305-I307 VanDerWaalsContact C-N 3.3Å; I307-L580 HydrophobicContact CD1-CB 3.99Å; I307-L580 HydrophobicContact CD1-CD1 3.85Å; I307-L580 HydrophobicContact CG1-CD1 4.02Å; I307-L580 HydrophobicContact CG2-CD1 4.15Å; I307-E582 HydrophobicContact CG1-CB 4.34Å; I307-F583 HydrophobicContact CD1-CB 4.31Å
308E88.5Confident91.1Very high134 Ų13436.1 Ų36.163%0.62618%0.178SC*.  trans-86.6143.2178.1-62.6-164.4174.600111.8
309C91.1Very high90.8Very high16 Ų1636.1 Ų36.111%0.10818%0.178CC..  trans-139161169.767.40000110.5E313 F317 Y526 L580C309-E313 HydrophobicContact CB-CB 4.12Å; C309-F317 HydrophobicContact CB-CE2 4.08Å; C309-Y526 PolarHBondContact O-OH 3.38Å; C309-L580 HydrophobicContact CB-CD1 4.17Å; C309-L580 HydrophobicContact CB-CD2 3.67Å
310T91.4Very high90.6Very high77 Ų7736 Ų3647%0.47218%0.178SC..  trans-72.6168.7176.766.50000111.9E313 M314 Y526T310-E313 WeakPolarHBondContact CB-OE2 3.31Å; T310-E313 WeakPolarHBondContact CG2-OE2 3.36Å; T310-E313 PolarHBondContact N-OE2 2.75Å; T310-E313 PolarHBondContact O-N 2.81Å; T310-E313 WeakPolarHBondContact OG1-CB 3.29Å; T310-E313 WeakPolarHBondContact OG1-CG 3.35Å; T310-E313 PolarHBondContact OG1-N 3.04Å; T310-E313 PolarHBondContact OG1-OE2 3.16Å; T310-M314 WeakPolarHBondContact O-CB 3.35Å; T310-M314 PolarHBondContact O-N 2.9Å; T310-Y526 PolarHBondContact O-OH 3.21Å
311E87.3Confident90.6Very high40 Ų4035 Ų3519%0.18717%0.174CC..Hα-helixtrans-64.2-40.5179.1-171.1172.7138.800112.4M314 M315 Y526 K529 Y530 R553E311-M314 PolarHBondContact O-N 3.34Å; E311-M315 WeakPolarHBondContact O-CG 3.48Å; E311-M315 PolarHBondContact O-N 3.32Å; E311-Y526 HydrophobicContact CB-CE1 3.97Å; E311-Y526 HydrophobicContact CG-CD1 4.35Å; E311-Y526 HydrophobicContact CG-CE1 3.99Å; E311-K529 IonicContact OE2-NZ 2.72Å; E311-K529 PolarHBondContact OE2-NZ 2.9Å; E311-Y530 WeakPolarHBondContact CG-OH 3.18Å; E311-Y530 PolarHBondContact OE1-OH 2.99Å; E311-R553 IonicContact OE1-CZ 2.75Å; E311-R553 IonicContact OE1-NH1 3.3Å; E311-R553 PolarHBondContact OE1-NH1 3.43Å
312E87.5Confident90.4Very high124 Ų12436.3 Ų36.358%0.57918%0.177SC*.Hα-helixtrans-68-43.8177.8-58.7-53145.500111.7M314 M315 M316 R553E312-M314 VanDerWaalsContact C-N 3.31Å; E312-M314 PolarHBondContact O-N 3.47Å; E312-M315 PolarHBondContact O-N 3.48Å; E312-M316 PolarHBondContact O-N 3.03Å; E312-M316 VanDerWaalsContact O-N 3.09Å; E312-R553 IonicContact OE1-CZ 3.65Å; E312-R553 IonicContact OE1-NH2 2.91Å; E312-R553 PolarHBondContact OE1-NH2 2.91Å; E312-R553 IonicContact OE2-NH2 3.88Å; E312-R553 PolarHBondContact OE2-NH2 2.96Å
313E91.4Very high90.1Very high59 Ų5936.6 Ų36.628%0.27618%0.178SC..Hα-helixtrans-60.8-41.6176.1-71.2163.6153.700111.1C309 T310 M315 M316 F317C309-E313 HydrophobicContact CB-CB 4.12Å; T310-E313 WeakPolarHBondContact CB-OE2 3.31Å; T310-E313 WeakPolarHBondContact CG2-OE2 3.36Å; T310-E313 PolarHBondContact N-OE2 2.75Å; T310-E313 PolarHBondContact O-N 2.81Å; T310-E313 WeakPolarHBondContact OG1-CB 3.29Å; T310-E313 WeakPolarHBondContact OG1-CG 3.35Å; T310-E313 PolarHBondContact OG1-N 3.04Å; T310-E313 PolarHBondContact OG1-OE2 3.16Å; E313-M315 VanDerWaalsContact C-N 3.35Å; E313-M315 PolarHBondContact O-N 3.19Å; E313-M316 WeakPolarHBondContact O-CB 3.49Å; E313-M316 PolarHBondContact O-N 3.24Å; E313-F317 HydrophobicContact CB-CD2 4.36Å; E313-F317 HydrophobicContact CB-CE2 4.03Å; E313-F317 WeakPolarHBondContact O-CD2 3.44Å; E313-F317 WeakPolarHBondContact O-CG 3.44Å; E313-F317 PolarHBondContact O-N 2.66Å
314M91.6Very high90Very high3 Ų336.4 Ų36.42%0.01518%0.178CC..Hα-helixtrans-60.4-41.3175.6-179.160.476.700112.5I302 T310 E311 E312 M316 F317 A318 V522 Y526I302-M314 HydrophobicContact CG2-CE 3.59Å; I302-M314 HydrophobicContact CG2-SD 4.07Å; T310-M314 WeakPolarHBondContact O-CB 3.35Å; T310-M314 PolarHBondContact O-N 2.9Å; E311-M314 PolarHBondContact O-N 3.34Å; E312-M314 VanDerWaalsContact C-N 3.31Å; E312-M314 PolarHBondContact O-N 3.47Å; M314-M316 VanDerWaalsContact C-N 3.3Å; M314-M316 PolarHBondContact O-N 2.98Å; M314-F317 PolarHBondContact O-N 3.32Å; M314-A318 WeakPolarHBondContact O-CB 3.23Å; M314-A318 PolarHBondContact O-N 3.45Å; M314-V522 HydrophobicContact CG-CB 4.24Å; M314-V522 HydrophobicContact CG-CG1 4.11Å; M314-V522 HydrophobicContact SD-CB 4.25Å; M314-V522 HydrophobicContact SD-CG1 4.4Å; M314-Y526 HydrophobicContact CB-CD2 4.42Å; M314-Y526 HydrophobicContact CB-CE1 4.48Å; M314-Y526 HydrophobicContact CB-CE2 3.94Å; M314-Y526 HydrophobicContact CE-CD2 3.87Å; M314-Y526 HydrophobicContact CE-CE2 3.54Å; M314-Y526 HydrophobicContact CG-CD2 3.74Å; M314-Y526 HydrophobicContact CG-CE2 3.71Å; M314-Y526 HydrophobicContact CG-CG 4.27Å; M314-Y526 HydrophobicContact SD-CD2 4.48Å; M314-Y526 HydrophobicContact SD-CE2 4.45Å
315M89.4Confident89.9Confident4 Ų436 Ų362%0.0218%0.176CC..Hα-helixtrans-64-38.4176.4-61.9-55.2106.900111.3E311 E312 E313 A318 A319 V522 Y530 I550 R553 I554E311-M315 WeakPolarHBondContact O-CG 3.48Å; E311-M315 PolarHBondContact O-N 3.32Å; E312-M315 PolarHBondContact O-N 3.48Å; E313-M315 VanDerWaalsContact C-N 3.35Å; E313-M315 PolarHBondContact O-N 3.19Å; M315-A318 PolarHBondContact O-N 3.28Å; M315-A319 WeakPolarHBondContact O-CB 3.31Å; M315-A319 PolarHBondContact O-N 2.75Å; M315-V522 HydrophobicContact CE-CG1 4.22Å; M315-Y530 HydrophobicContact CE-CE2 4.38Å; M315-I550 HydrophobicContact SD-CG2 4.4Å; M315-R553 HydrophobicContact CG-CB 4.17Å; M315-R553 HydrophobicContact SD-CB 3.93Å; M315-I554 HydrophobicContact SD-CG1 4.36Å
316M89.3Confident89.7Confident61 Ų6138.2 Ų38.230%0.319%0.185SC..Hα-helixtrans-66.3-43.2175.1-174.462.8-178.300112.2E312 E313 M314 A318 A319 L320 V561E312-M316 PolarHBondContact O-N 3.03Å; E312-M316 VanDerWaalsContact O-N 3.09Å; E313-M316 WeakPolarHBondContact O-CB 3.49Å; E313-M316 PolarHBondContact O-N 3.24Å; M314-M316 VanDerWaalsContact C-N 3.3Å; M314-M316 PolarHBondContact O-N 2.98Å; M316-A318 VanDerWaalsContact C-N 3.34Å; M316-A318 PolarHBondContact O-N 3.18Å; M316-A319 PolarHBondContact O-N 3.13Å; M316-L320 HydrophobicContact CE-CD1 4.11Å; M316-L320 HydrophobicContact CE-CD2 4.43Å; M316-L320 HydrophobicContact CE-CG 4.15Å; M316-L320 HydrophobicContact CG-CD1 4.34Å; M316-L320 WeakPolarHBondContact O-CG 3.38Å; M316-L320 PolarHBondContact O-N 2.91Å; M316-V561 HydrophobicContact CE-CG1 3.27Å; M316-V561 HydrophobicContact SD-CG1 4.16Å
317F94.8Very high89.4Confident5 Ų534.9 Ų34.92%0.02217%0.17CC..Hα-helixtrans-60.2-44.1174.4-72.5-55.6000111.6I302 C309 E313 M314 A319 L320 Q321 F573 A576 W577 L580I302-F317 HydrophobicContact CD1-CD1 3.77Å; I302-F317 HydrophobicContact CD1-CD2 3.88Å; I302-F317 HydrophobicContact CD1-CE1 3.6Å; I302-F317 HydrophobicContact CD1-CE2 3.73Å; I302-F317 HydrophobicContact CD1-CG 3.92Å; I302-F317 HydrophobicContact CD1-CZ 3.6Å; I302-F317 HydrophobicContact CG1-CE2 4.5Å; I302-F317 HydrophobicContact CG2-CD2 4.16Å; C309-F317 HydrophobicContact CB-CE2 4.08Å; E313-F317 HydrophobicContact CB-CD2 4.36Å; E313-F317 HydrophobicContact CB-CE2 4.03Å; E313-F317 WeakPolarHBondContact O-CD2 3.44Å; E313-F317 WeakPolarHBondContact O-CG 3.44Å; E313-F317 PolarHBondContact O-N 2.66Å; M314-F317 PolarHBondContact O-N 3.32Å; F317-A319 PolarHBondContact O-N 3.3Å; F317-L320 PolarHBondContact O-N 2.71Å; F317-Q321 WeakPolarHBondContact O-CB 3.33Å; F317-Q321 PolarHBondContact O-N 2.65Å; F317-F573 HydrophobicContact CB-CE2 3.81Å; F317-F573 HydrophobicContact CB-CZ 4.15Å; F317-F573 HydrophobicContact CD1-CD1 4.14Å; F317-F573 AromaticContact CD1-CD2 3.83Å; F317-F573 HydrophobicContact CD1-CD2 3.83Å; F317-F573 AromaticContact CD1-CE1 3.89Å; F317-F573 HydrophobicContact CD1-CE1 3.89Å; F317-F573 AromaticContact CD1-CE2 3.56Å; F317-F573 HydrophobicContact CD1-CE2 3.56Å; F317-F573 HydrophobicContact CD1-CG 4.1Å; F317-F573 AromaticContact CD1-CZ 3.58Å; F317-F573 HydrophobicContact CD1-CZ 3.58Å; F317-F573 HydrophobicContact CE1-CD1 4.29Å; F317-F573 HydrophobicContact CE1-CE1 4.18Å; F317-F573 HydrophobicContact CE1-CZ 4.31Å; F317-F573 HydrophobicContact CG-CE2 4.11Å; F317-F573 HydrophobicContact CG-CZ 4.14Å; F317-F573 WeakPolarHBondContact O-CE2 3.47Å; F317-A576 HydrophobicContact CE1-CB 3.63Å; F317-A576 HydrophobicContact CZ-CB 3.94Å; F317-W577 HydrophobicContact CE1-CB 4.29Å; F317-W577 HydrophobicContact CZ-CB 4.4Å; F317-L580 HydrophobicContact CE2-CD1 4.39Å; F317-L580 HydrophobicContact CE2-CD2 4.44Å; F317-L580 HydrophobicContact CZ-CD1 4.3Å
318A91.8Very high88.9Confident0 Ų034.1 Ų34.10%017%0.167CC..Hα-helixtrans-62.6-40.5176.400000112.3M314 M315 M316 Q321 Y322 L521 V522 I554M314-A318 WeakPolarHBondContact O-CB 3.23Å; M314-A318 PolarHBondContact O-N 3.45Å; M315-A318 PolarHBondContact O-N 3.28Å; M316-A318 VanDerWaalsContact C-N 3.34Å; M316-A318 PolarHBondContact O-N 3.18Å; A318-Q321 PolarHBondContact O-N 3.37Å; A318-Y322 WeakPolarHBondContact O-CB 3.45Å; A318-Y322 PolarHBondContact O-N 3.24Å; A318-L521 HydrophobicContact CB-CB 3.89Å; A318-L521 WeakPolarHBondContact CB-O 3.44Å; A318-V522 HydrophobicContact CB-CG1 3.89Å; A318-I554 HydrophobicContact CB-CD1 3.81Å; A318-I554 HydrophobicContact CB-CG1 3.85Å
319A89.3Confident88.3Confident0 Ų031.8 Ų31.80%016%0.157CC..Hα-helixtrans-65.5-43.9176.400000112.5M315 M316 F317 Y322 H323 I554 A557 H558 V561M315-A319 WeakPolarHBondContact O-CB 3.31Å; M315-A319 PolarHBondContact O-N 2.75Å; M316-A319 PolarHBondContact O-N 3.13Å; F317-A319 PolarHBondContact O-N 3.3Å; A319-Y322 PolarHBondContact O-N 3.11Å; A319-H323 PolarHBondContact O-N 3.3Å; A319-I554 HydrophobicContact CB-CG2 4.28Å; A319-A557 HydrophobicContact CB-CB 3.79Å; A319-H558 HydrophobicContact CB-CB 4.22Å; A319-V561 HydrophobicContact CB-CG2 4.47Å
320L91.5Very high87.1Confident1 Ų136 Ų361%0.00518%0.177CC..Hα-helixtrans-62.8-45.6174-76167.6000111.5M316 F317 Y322 H323 I324 V561 M564 A569 R572 F573M316-L320 HydrophobicContact CE-CD1 4.11Å; M316-L320 HydrophobicContact CE-CD2 4.43Å; M316-L320 HydrophobicContact CE-CG 4.15Å; M316-L320 HydrophobicContact CG-CD1 4.34Å; M316-L320 WeakPolarHBondContact O-CG 3.38Å; M316-L320 PolarHBondContact O-N 2.91Å; F317-L320 PolarHBondContact O-N 2.71Å; L320-Y322 VanDerWaalsContact C-N 3.34Å; L320-Y322 PolarHBondContact O-N 2.8Å; L320-H323 PolarHBondContact O-N 3.32Å; L320-I324 WeakPolarHBondContact O-CB 3.4Å; L320-I324 WeakPolarHBondContact O-CD1 3.47Å; L320-I324 WeakPolarHBondContact O-CG1 3.47Å; L320-I324 PolarHBondContact O-N 3.47Å; L320-V561 HydrophobicContact CD2-CB 4.03Å; L320-V561 HydrophobicContact CD2-CG1 3.59Å; L320-V561 HydrophobicContact CG-CG1 4.13Å; L320-M564 HydrophobicContact CD2-SD 4.3Å; L320-A569 HydrophobicContact CD2-CB 4.32Å; L320-R572 HydrophobicContact CD2-CB 4.24Å; L320-F573 HydrophobicContact CB-CD2 3.84Å; L320-F573 HydrophobicContact CD1-CB 4.11Å; L320-F573 HydrophobicContact CD1-CD2 4.27Å
321Q92.4Very high85.6Confident3 Ų335.7 Ų35.71%0.01418%0.175CC..Hα-helixtrans-60.9-42.8177.2-177.3-175.2-0.900111.4K299 F317 A318 I324 N325 C520 L521K299-Q321 HydrophobicContact CD-CG 4.12Å; F317-Q321 WeakPolarHBondContact O-CB 3.33Å; F317-Q321 PolarHBondContact O-N 2.65Å; A318-Q321 PolarHBondContact O-N 3.37Å; Q321-I324 PolarHBondContact O-N 3.32Å; Q321-N325 WeakPolarHBondContact O-CB 3.24Å; Q321-N325 PolarHBondContact O-N 3.08Å; Q321-N325 PolarHBondContact O-ND2 2.66Å; Q321-C520 PolarHBondContact NE2-O 3.22Å; Q321-L521 HydrophobicContact CB-CD2 4.11Å; Q321-L521 VanDerWaalsContact CD-CD2 3.5Å; Q321-L521 HydrophobicContact CG-CD2 3.69Å; Q321-L521 PolarHBondContact OE1-O 3.36Å
322Y89.8Confident83.9Confident36 Ų3636.8 Ų36.814%0.14119%0.187CC..Hα-helixtrans-59.5-48.9175.1172.4-108000111.7A318 A319 L320 N325 K326 I516 H558A318-Y322 WeakPolarHBondContact O-CB 3.45Å; A318-Y322 PolarHBondContact O-N 3.24Å; A319-Y322 PolarHBondContact O-N 3.11Å; L320-Y322 VanDerWaalsContact C-N 3.34Å; L320-Y322 PolarHBondContact O-N 2.8Å; Y322-N325 PolarHBondContact O-N 3.37Å; Y322-K326 WeakPolarHBondContact O-CB 3.14Å; Y322-K326 PolarHBondContact O-N 3.43Å; Y322-I516 HydrophobicContact CD2-CG1 3.97Å; Y322-I516 HydrophobicContact CE1-CD1 4.24Å; Y322-I516 HydrophobicContact CE1-CG1 4.41Å; Y322-I516 HydrophobicContact CE2-CD1 4.22Å; Y322-I516 HydrophobicContact CE2-CG1 3.51Å; Y322-H558 AromaticContact CD1-CD2 3.64Å; Y322-H558 AromaticContact CD1-NE2 3.88Å; Y322-H558 AromaticContact CE1-NE2 3.93Å
323H87.4Confident81.8Confident9 Ų937.3 Ų37.34%0.04219%0.189CC..Hα-helixtrans-61.3-45.6178.4-172.159000112.2A319 L320 N325 K326 L327 H558 V561 A562 M564A319-H323 PolarHBondContact O-N 3.3Å; L320-H323 PolarHBondContact O-N 3.32Å; H323-N325 PolarHBondContact O-N 3.48Å; H323-K326 PolarHBondContact O-N 2.94Å; H323-L327 WeakPolarHBondContact NE2-CD1 3.27Å; H323-L327 WeakPolarHBondContact O-CG 3.36Å; H323-L327 PolarHBondContact O-N 2.79Å; H323-H558 AromaticContact ND1-NE2 3.55Å; H323-V561 HydrophobicContact CB-CG2 4.34Å; H323-V561 PolarHBondContact NE2-O 2.65Å; H323-A562 PolarHBondContact CE1-O 2.75Å; H323-A562 VanDerWaalsContact CE1-O 3.28Å; H323-M564 PolarHBondContact NE2-O 2.9Å
324I89.4Confident79.5Confident0 Ų039.6 Ų39.60%020%0.203CC..Hα-helixtrans-59.7-45.8177-70162000111Y295 L320 Q321 S328 L566 A569 K570Y295-I324 HydrophobicContact CD2-CD1 4.02Å; Y295-I324 HydrophobicContact CE1-CD1 4.46Å; Y295-I324 HydrophobicContact CE1-CG2 4.04Å; Y295-I324 HydrophobicContact CE2-CD1 3.46Å; Y295-I324 VanDerWaalsContact CE2-CD1 3.46Å; L320-I324 WeakPolarHBondContact O-CB 3.4Å; L320-I324 WeakPolarHBondContact O-CD1 3.47Å; L320-I324 WeakPolarHBondContact O-CG1 3.47Å; L320-I324 PolarHBondContact O-N 3.47Å; Q321-I324 PolarHBondContact O-N 3.32Å; I324-S328 VanDerWaalsContact O-CB 3.29Å; I324-S328 WeakPolarHBondContact O-CB 3.29Å; I324-S328 PolarHBondContact O-N 3.34Å; I324-S328 PolarHBondContact O-OG 3.03Å; I324-L566 HydrophobicContact CB-CD1 4.35Å; I324-L566 HydrophobicContact CG2-CD1 3.86Å; I324-A569 HydrophobicContact CD1-CB 4.2Å; I324-A569 HydrophobicContact CG1-CB 3.66Å; I324-K570 HydrophobicContact CD1-CB 4.48Å; I324-K570 HydrophobicContact CD1-CG 3.85Å; I324-K570 HydrophobicContact CG1-CG 4.13Å; I324-K570 HydrophobicContact CG2-CG 4.21Å
325N87.7Confident77.1Confident15 Ų1546.5 Ų46.58%0.0824%0.236CC..Hα-helixtrans-65.2-43.1179.2-70.5-17.5000111.5S224 Q321 Y322 H323 S328 I329S224-N325 PolarHBondContact OG-OD1 2.99Å; Q321-N325 WeakPolarHBondContact O-CB 3.24Å; Q321-N325 PolarHBondContact O-N 3.08Å; Q321-N325 PolarHBondContact O-ND2 2.66Å; Y322-N325 PolarHBondContact O-N 3.37Å; H323-N325 PolarHBondContact O-N 3.48Å; N325-S328 PolarHBondContact O-N 3.06Å; N325-I329 WeakPolarHBondContact O-CG1 3.26Å; N325-I329 PolarHBondContact O-N 3.06Å; N325-I329 VanDerWaalsContact O-N 3.11Å
326K84Confident74.3Confident85 Ų8553.7 Ų53.737%0.3727%0.273SS..Hα-helixtrans-58.3-51176.9-174.7-177.4178-176.80111.2Y322 H323 S328 I329 M330Y322-K326 WeakPolarHBondContact O-CB 3.14Å; Y322-K326 PolarHBondContact O-N 3.43Å; H323-K326 PolarHBondContact O-N 2.94Å; K326-S328 VanDerWaalsContact C-N 3.35Å; K326-S328 PolarHBondContact O-N 3.43Å; K326-I329 PolarHBondContact O-N 2.65Å; K326-M330 HydrophobicContact CG-SD 4.26Å; K326-M330 WeakPolarHBondContact O-CG 3.41Å; K326-M330 PolarHBondContact O-N 2.95Å
327L81.3Confident71.4Confident41 Ų4156.8 Ų56.822%0.21529%0.291CS..Hα-helixtrans-65.7-35.7178.4-69.9-177.7000112.9H323 M330 T331 L566H323-L327 WeakPolarHBondContact NE2-CD1 3.27Å; H323-L327 WeakPolarHBondContact O-CG 3.36Å; H323-L327 PolarHBondContact O-N 2.79Å; L327-M330 PolarHBondContact O-N 3.22Å; L327-T331 WeakPolarHBondContact O-CB 3.38Å; L327-T331 PolarHBondContact O-N 3Å; L327-T331 PolarHBondContact O-OG1 3.18Å; L327-L566 HydrophobicContact CB-CB 4.32Å; L327-L566 HydrophobicContact CB-CD1 4.06Å; L327-L566 HydrophobicContact CD1-CB 4.16Å
328S80.6Confident68.5Low4 Ų460.8 Ų60.83%0.02831%0.313CS..Hα-helixtrans-64.2-41.3179.2-61.60000111.9I324 N325 K326 T331 S332 L566I324-S328 VanDerWaalsContact O-CB 3.29Å; I324-S328 WeakPolarHBondContact O-CB 3.29Å; I324-S328 PolarHBondContact O-N 3.34Å; I324-S328 PolarHBondContact O-OG 3.03Å; N325-S328 PolarHBondContact O-N 3.06Å; K326-S328 VanDerWaalsContact C-N 3.35Å; K326-S328 PolarHBondContact O-N 3.43Å; S328-T331 PolarHBondContact O-N 3Å; S328-S332 PolarHBondContact O-N 2.98Å; S328-S332 PolarHBondContact O-OG 2.98Å; S328-L566 WeakPolarHBondContact OG-CD1 3.45Å
329I74.7Confident65.5Low84 Ų8466.4 Ų66.443%0.43135%0.352SS..Hα-helixtrans-66.8-45.8177.1-65.1163.6000110.9N325 K326 T331 S332 E333N325-I329 WeakPolarHBondContact O-CG1 3.26Å; N325-I329 PolarHBondContact O-N 3.06Å; N325-I329 VanDerWaalsContact O-N 3.11Å; K326-I329 PolarHBondContact O-N 2.65Å; I329-T331 VanDerWaalsContact C-N 3.25Å; I329-T331 PolarHBondContact O-N 3.14Å; I329-S332 WeakPolarHBondContact CA-OG 3.47Å; I329-S332 PolarHBondContact O-N 2.91Å; I329-S332 PolarHBondContact O-OG 3.33Å; I329-E333 PolarHBondContact O-N 3.28Å
330M66.6Low62.8Low106 Ų10672.1 Ų72.152%0.52238%0.382SS..Hα-helixtrans-63.1-32.2178.5-66.1177.580.300112.5K326 L327K326-M330 HydrophobicContact CG-SD 4.26Å; K326-M330 WeakPolarHBondContact O-CG 3.41Å; K326-M330 PolarHBondContact O-N 2.95Å; L327-M330 PolarHBondContact O-N 3.22Å
331T59.5Low60.4Low69 Ų6978.2 Ų78.242%0.42341%0.409SS..Hα-helixtrans-74-35.1178.4-50.90000111.6L327 S328 I329 H335L327-T331 WeakPolarHBondContact O-CB 3.38Å; L327-T331 PolarHBondContact O-N 3Å; L327-T331 PolarHBondContact O-OG1 3.18Å; S328-T331 PolarHBondContact O-N 3Å; I329-T331 VanDerWaalsContact C-N 3.25Å; I329-T331 PolarHBondContact O-N 3.14Å; T331-H335 PolarHBondContact O-CD2 2.99Å
332S52Low57.7Low63 Ų6386 Ų8644%0.44145%0.445SS..Hα-helixtrans-69.1-31179.641.60000114.5S328 I329 N334S328-S332 PolarHBondContact O-N 2.98Å; S328-S332 PolarHBondContact O-OG 2.98Å; I329-S332 WeakPolarHBondContact CA-OG 3.47Å; I329-S332 PolarHBondContact O-N 2.91Å; I329-S332 PolarHBondContact O-OG 3.33Å; S332-N334 VanDerWaalsContact C-N 3.35Å
333E44.3Very low55.2Low135 Ų13588.3 Ų88.363%0.63146%0.463SS*.Hα-helixtrans-73.9-25.4-179.9-68-172.7167.900113.1I329 H335I329-E333 PolarHBondContact O-N 3.28Å; E333-H335 VanDerWaalsContact C-N 3.28Å; E333-H335 PolarHBondContact O-N 3.42Å
334N42.6Very low53.1Low107 Ų10793.4 Ų93.457%0.57249%0.49SS*.G310 helixtrans-76.2-9.9179.9-73.1-22.7000114.3S332 L336S332-N334 VanDerWaalsContact C-N 3.35Å; N334-L336 VanDerWaalsContact C-N 3.29Å; N334-L336 PolarHBondContact O-N 2.98Å
335H41.1Very low51.1Low149 Ų14998.4 Ų98.469%0.6951%0.514SS*.G310 helixtrans-75.7-13.2177.4-82.6-81.8000114T331 E333T331-H335 PolarHBondContact O-CD2 2.99Å; E333-H335 VanDerWaalsContact C-N 3.28Å; E333-H335 PolarHBondContact O-N 3.42Å
336L30.5Very low49Very low155 Ų155101.9 Ų101.981%0.81254%0.535SS*.G310 helixtrans-92.2-11.5-179.7-72.5163.5000114.2N334N334-L336 VanDerWaalsContact C-N 3.29Å; N334-L336 PolarHBondContact O-N 2.98Å
337N29Very low47.1Very low126 Ų126102 Ų10267%0.67454%0.54SS*.SBendtrans-111.67.1-173.5-70.8-16.8000114.5S339N337-S339 PolarHBondContact O-N 3.05Å; N337-S339 VanDerWaalsContact O-N 3.1Å
338N33.1Very low45.5Very low89 Ų89102.7 Ų102.748%0.47655%0.552SS.*  trans-85.979.7178.2-88.6-19.2000111.8K341N338-K341 WeakPolarHBondContact ND2-CD 3.34Å; N338-K341 WeakPolarHBondContact ND2-CE 3.47Å
339S28.2Very low43.7Very low117 Ų117105.1 Ų105.182%0.81857%0.572SS**SBendtrans-98.613.9151.862.40000112.2N337N337-S339 PolarHBondContact O-N 3.05Å; N337-S339 VanDerWaalsContact O-N 3.1Å
340D33.4Very low42.1Very low121 Ų121105.7 Ų105.765%0.64758%0.575SS**SBendtrans-12819-168.7-136.513000114
341K41.7Very low41.2Very low128 Ų128103.5 Ų103.556%0.55757%0.57SS**SBendtrans-103.3-2.7177.3-82.7-164.9-179.6-174.20115.5N338 V343N338-K341 WeakPolarHBondContact ND2-CD 3.34Å; N338-K341 WeakPolarHBondContact ND2-CE 3.47Å; K341-V343 VanDerWaalsContact C-N 3.29Å
342E34.3Very low40.4Very low168 Ų168105.6 Ų105.679%0.78558%0.579SS**Hα-helixtrans-74.3-21.9173.8-70.8-166.6165.500112.5V346E342-V346 WeakPolarHBondContact O-CG2 3.3Å
343V37.9Very low39.8Very low83 Ų83107.7 Ų107.750%0.50359%0.585SS.*Hα-helixtrans-76.5-38.4-176.1-174.50000112K341 V346 D347K341-V343 VanDerWaalsContact C-N 3.29Å; V343-V346 PolarHBondContact O-N 2.75Å; V343-D347 PolarHBondContact O-N 2.99Å; V343-D347 VanDerWaalsContact O-N 3.13Å
344D43.8Very low39.7Very low116 Ų116107.2 Ų107.262%0.6258%0.582SS**Hα-helixtrans-72.5-30.6-176.8-79.4-17.7000113.7A348D344-A348 VanDerWaalsContact O-CB 3.26Å; D344-A348 WeakPolarHBondContact O-CB 3.48Å; D344-A348 PolarHBondContact O-N 2.95Å; D344-A348 VanDerWaalsContact O-N 3.11Å
345E47.8Very low39.8Very low106 Ų106108 Ų10850%0.49559%0.585SS.*Hα-helixtrans-77.3-31.9178.3-67.8-169.7-170.500111.8S202 A349S202-E345 PolarHBondContact OG-OE2 2.86Å; E345-A349 VanDerWaalsContact O-CB 3.3Å; E345-A349 WeakPolarHBondContact O-CB 3.25Å; E345-A349 PolarHBondContact O-N 3.35Å
346V42.3Very low39.8Very low87 Ų87106.2 Ų106.253%0.52759%0.585SS.*Hα-helixtrans-71.8-41.6175.3174.60000110.9E342 V343 A349 L350E342-V346 WeakPolarHBondContact O-CG2 3.3Å; V343-V346 PolarHBondContact O-N 2.75Å; V346-A349 PolarHBondContact O-N 3.22Å; V346-L350 HydrophobicContact CG1-CD1 3.8Å; V346-L350 WeakPolarHBondContact O-CB 3.35Å; V346-L350 WeakPolarHBondContact O-CD1 3.19Å; V346-L350 WeakPolarHBondContact O-CG 3.38Å; V346-L350 PolarHBondContact O-N 3.01Å
347D44.2Very low40.3Very low88 Ų88105.8 Ų105.847%0.47158%0.583SS.*Hα-helixtrans-70.6-33.8177-80.2-16.4000112.7V343 S351V343-D347 PolarHBondContact O-N 2.99Å; V343-D347 VanDerWaalsContact O-N 3.13Å; D347-S351 WeakPolarHBondContact O-CB 3.47Å; D347-S351 PolarHBondContact O-N 3.27Å; D347-S351 PolarHBondContact O-OG 3.46Å
348A48.2Very low40.8Very low56 Ų56106.7 Ų106.746%0.46358%0.583SS.*Hα-helixtrans-68.3-39.8172.400000112.2D344 S351 D352D344-A348 VanDerWaalsContact O-CB 3.26Å; D344-A348 WeakPolarHBondContact O-CB 3.48Å; D344-A348 PolarHBondContact O-N 2.95Å; D344-A348 VanDerWaalsContact O-N 3.11Å; A348-S351 PolarHBondContact O-N 2.81Å; A348-D352 PolarHBondContact O-N 2.88Å
349A43.5Very low41.1Very low54 Ų54106.4 Ų106.445%0.44660%0.601SS.*Hα-helixtrans-72-33.6176.400000113E345 V346 L353E345-A349 VanDerWaalsContact O-CB 3.3Å; E345-A349 WeakPolarHBondContact O-CB 3.25Å; E345-A349 PolarHBondContact O-N 3.35Å; V346-A349 PolarHBondContact O-N 3.22Å; A349-L353 PolarHBondContact O-N 3.29Å
350L39.8Very low41.5Very low97 Ų97103.3 Ų103.351%0.50859%0.588SS.*Hα-helixtrans-66.9-38.6172.3-81.4162.3000111.6V346 L353 E354V346-L350 HydrophobicContact CG1-CD1 3.8Å; V346-L350 WeakPolarHBondContact O-CB 3.35Å; V346-L350 WeakPolarHBondContact O-CD1 3.19Å; V346-L350 WeakPolarHBondContact O-CG 3.38Å; V346-L350 PolarHBondContact O-N 3.01Å; L350-L353 PolarHBondContact O-N 2.95Å; L350-E354 WeakPolarHBondContact O-CB 3.47Å; L350-E354 PolarHBondContact O-N 3.35Å
351S47.1Very low41.5Very low60 Ų60106.7 Ų106.742%0.4260%0.597SS.*Hα-helixtrans-63.8-39.9176.1-60.50000112.3D347 A348 I355D347-S351 WeakPolarHBondContact O-CB 3.47Å; D347-S351 PolarHBondContact O-N 3.27Å; D347-S351 PolarHBondContact O-OG 3.46Å; A348-S351 PolarHBondContact O-N 2.81Å; S351-I355 VanDerWaalsContact O-CD1 3.31Å; S351-I355 WeakPolarHBondContact O-CD1 3.46Å; S351-I355 WeakPolarHBondContact O-CG1 3.44Å; S351-I355 PolarHBondContact O-N 2.96Å
352D43.5Very low40.9Very low112 Ų112107.5 Ų107.560%0.59961%0.612SS**Hα-helixtrans-72.1-30.8177.9-84.6-6.8000113A348 T356A348-D352 PolarHBondContact O-N 2.88Å; D352-T356 PolarHBondContact O-N 3.5Å; D352-T356 PolarHBondContact O-OG1 3.23Å
353L39.1Very low40.7Very low108 Ų108104.8 Ų104.857%0.56561%0.612SS**Hα-helixtrans-75.4-34.5175.1-83.9162.7000112.7A349 L350 T356 L357A349-L353 PolarHBondContact O-N 3.29Å; L350-L353 PolarHBondContact O-N 2.95Å; L353-T356 PolarHBondContact O-N 2.71Å; L353-L357 PolarHBondContact O-N 2.79Å
354E42.2Very low40.4Very low124 Ų124106.8 Ų106.858%0.57963%0.625SS**Hα-helixtrans-65.9-39.1175.4-162.7167.2-153.900111.1L350 T356 L357 E358L350-E354 WeakPolarHBondContact O-CB 3.47Å; L350-E354 PolarHBondContact O-N 3.35Å; E354-T356 VanDerWaalsContact C-N 3.29Å; E354-T356 PolarHBondContact O-N 3.29Å; E354-L357 PolarHBondContact O-N 3.13Å; E354-E358 WeakPolarHBondContact O-CG 3.47Å; E354-E358 PolarHBondContact O-N 2.99Å
355I44.8Very low39.9Very low124 Ų124109.1 Ų109.164%0.63664%0.635SS**Hα-helixtrans-66.6-28.3176.8-66.8165.3000112.6S351S351-I355 VanDerWaalsContact O-CD1 3.31Å; S351-I355 WeakPolarHBondContact O-CD1 3.46Å; S351-I355 WeakPolarHBondContact O-CG1 3.44Å; S351-I355 PolarHBondContact O-N 2.96Å
356T41.8Very low39.4Very low111 Ų111112.8 Ų112.868%0.68166%0.657SS**Hα-helixtrans-83.8-22.7-178.4-50.20000112.6D352 L353 E354D352-T356 PolarHBondContact O-N 3.5Å; D352-T356 PolarHBondContact O-OG1 3.23Å; L353-T356 PolarHBondContact O-N 2.71Å; E354-T356 VanDerWaalsContact C-N 3.29Å; E354-T356 PolarHBondContact O-N 3.29Å
357L39.9Very low39Very low146 Ų146111.7 Ų111.776%0.76466%0.664SS**Hα-helixtrans-100.4-13.1-178.3-83.2157.4000114.4L353 E354 G359L353-L357 PolarHBondContact O-N 2.79Å; E354-L357 PolarHBondContact O-N 3.13Å; L357-G359 VanDerWaalsContact C-N 3.27Å; L357-G359 PolarHBondContact O-N 2.82Å
358E40.2Very low38.4Very low145 Ų145114 Ų11468%0.67868%0.676SS**  trans-82.46.4175.3-75.5-163.114900115.1E354 G360E354-E358 WeakPolarHBondContact O-CG 3.47Å; E354-E358 PolarHBondContact O-N 2.99Å; E358-G360 PolarHBondContact O-N 3.05Å
359G38.5Very low38.1Very low83 Ų83119.6 Ų119.686%0.85670%0.697SS**SBendtrans-64.111.3171.600000115.8L357L357-G359 VanDerWaalsContact C-N 3.27Å; L357-G359 PolarHBondContact O-N 2.82Å
360G37.4Very low38.3Very low53 Ų53123 Ų12355%0.54671%0.712SS.*SBendtrans-16068.2-176.800000114.2E358E358-G360 PolarHBondContact O-N 3.05Å
361K34.1Very low38.8Very low192 Ų192122.9 Ų122.984%0.83572%0.72SS**  trans171.5113.5142-94.5157.2-170.2-179.50110.1
362T28.4Very low39.4Very low144 Ų144124.4 Ų124.488%0.88372%0.722SS**  -179.6104.1122.131.30000108.6
363S29.5Very low40.9Very low111 Ų111121.5 Ų121.578%0.77671%0.709SS**  trans-61.7142.4155.241.70000110.2
364T32.1Very low43Very low125 Ų125121.1 Ų121.177%0.76771%0.705SS**  trans115.984.8150.7-32.70000114.4
365I33Very low45.2Very low165 Ų165116.6 Ų116.685%0.84668%0.684SS**  -167.8103.2118.6-84.4147.7000106
366L38.8Very low47.4Very low183 Ų183112.4 Ų112.496%0.95867%0.668SS**  trans-73.5120.7167.5-90139.1000108.4
367G32.7Very low49.7Very low65 Ų65109.7 Ų109.767%0.6765%0.649SS**  trans-152.8102.5169.400000111.1
368D32.9Very low52.1Low135 Ų135106.7 Ų106.772%0.72263%0.628SS**  trans42.586.3161.7-80.6-25.1000120.9T370D368-T370 PolarHBondContact O-N 2.91Å
369I41.5Very low54.5Low174 Ų17499.8 Ų99.889%0.89260%0.596SS**THydrogen-bonded Turntrans-81.343.1167.7-49.9171.7000111.3
370T46.8Very low57Low127 Ų12798.9 Ų98.978%0.77957%0.569SS**THydrogen-bonded Turntrans-1380.7173.859.40000115.4D368D368-T370 PolarHBondContact O-N 2.91Å
371S50.6Low59.4Low94 Ų9496.8 Ų96.866%0.65755%0.546SS*.PPolyproline II helixtrans-92.9124173.860.60000110.9P373S371-P373 WeakPolarHBondContact O-CD 3.31Å
372I60.2Low61.9Low92 Ų9289.6 Ų89.647%0.47251%0.514SS..PPolyproline II helixtrans-68.4119.3171.5-62169.1000106.7E374 K400 D401I372-E374 PolarHBondContact O-N 2.8Å; I372-K400 HydrophobicContact CG2-CG 4.05Å; I372-D401 WeakPolarHBondContact CG2-OD1 3.33Å
373P74.7Confident64.4Low51 Ų5186.8 Ų86.833%0.33149%0.49SS..PPolyproline II helixtrans-63.6132.3-18023.1-30.6000110.4S371 M480 A481S371-P373 WeakPolarHBondContact O-CD 3.31Å; P373-M480 HydrophobicContact CB-CB 4.41Å; P373-M480 HydrophobicContact CG-CB 4.13Å; P373-M480 WeakPolarHBondContact O-CE 3.39Å; P373-A481 HydrophobicContact CG-CB 3.91Å
374E83.8Confident66.3Low100 Ų10084.2 Ų84.247%0.46747%0.47SS..EExtended strand (participates in β ladder)trans-127.3133.8-178.6-178.3175.1168.600109.5I372 T398 F399I372-E374 PolarHBondContact O-N 2.8Å; E374-T398 WeakPolarHBondContact OE1-CB 3.46Å; E374-T398 WeakPolarHBondContact OE1-CG2 3.46Å; E374-F399 WeakPolarHBondContact CA-O 3.45Å
375L88.4Confident67.7Low28 Ų2885.3 Ų85.315%0.14746%0.464CS..EExtended strand (participates in β ladder)trans-100133.9166.6-64.7170000108.5T398 F399 H466 W467 A470 M480L375-T398 CarbonylContact O-C 3.57Å; L375-T398 VanDerWaalsContact O-CA 3.25Å; L375-T398 WeakPolarHBondContact O-CA 3.36Å; L375-F399 HydrophobicContact CB-CB 4Å; L375-F399 PolarHBondContact N-O 3.02Å; L375-F399 VanDerWaalsContact N-O 3.13Å; L375-F399 PolarHBondContact O-N 3.23Å; L375-H466 HydrophobicContact CD1-CB 4.35Å; L375-H466 HydrophobicContact CD2-CB 4.37Å; L375-W467 HydrophobicContact CB-CZ2 4.16Å; L375-A470 HydrophobicContact CD1-CB 3.86Å; L375-M480 HydrophobicContact CD1-CE 4.39Å; L375-M480 HydrophobicContact CD1-SD 3.37Å; L375-M480 WeakPolarHBondContact CD1-SD 3.46Å; L375-M480 HydrophobicContact CG-CE 4Å; L375-M480 HydrophobicContact CG-SD 3.53Å; L375-M480 VanDerWaalsContact CG-SD 3.53Å
376A89.3Confident68.5Low37 Ų3787.7 Ų87.731%0.30647%0.469SS..EExtended strand (participates in β ladder)trans-140.7115.7179.600000110.6W396 C397 T398A376-W396 HydrophobicContact CB-CH2 4.23Å; A376-W396 HydrophobicContact CB-CZ2 3.6Å; A376-C397 WeakPolarHBondContact CA-O 3.08Å; A376-T398 HydrophobicContact CB-CG2 3.97Å
377D90.8Very high68.7Low53 Ų5386.8 Ų86.828%0.28346%0.464SS..EExtended strand (participates in β ladder)trans-150.4159.5-173.5-80.5-54.8000112.2I379 C397 W467D377-I379 HydrophobicContact CB-CG1 4.36Å; D377-C397 PolarHBondContact N-O 2.86Å; D377-C397 PolarHBondContact O-N 2.9Å; D377-W467 HydrophobicContact CB-CZ2 3.94Å; D377-W467 PolarHBondContact OD2-NE1 3.25Å
378Y90.6Very high69.2Low83 Ų8388.1 Ų88.133%0.32546%0.459SS..EExtended strand (participates in β ladder)trans-77.1121.4165.3-75.9-73.5000110.6Q394 Y395 W396 Q463Y378-Q394 HydrophobicContact CD1-CG 4.19Å; Y378-Y395 WeakPolarHBondContact CA-O 3.14Å; Y378-W396 HydrophobicContact CD1-CB 4.31Å; Y378-W396 HydrophobicContact CD1-CE3 4Å; Y378-W396 AromaticContact CD2-CE3 3.59Å; Y378-W396 HydrophobicContact CD2-CE3 3.59Å; Y378-W396 AromaticContact CD2-CZ3 3.69Å; Y378-W396 HydrophobicContact CD2-CZ3 3.69Å; Y378-W396 HydrophobicContact CE1-CB 4Å; Y378-W396 AromaticContact CE1-CE3 3.91Å; Y378-W396 HydrophobicContact CE1-CE3 3.91Å; Y378-W396 AromaticContact CE2-CE3 3.48Å; Y378-W396 HydrophobicContact CE2-CE3 3.48Å; Y378-W396 VanDerWaalsContact CE2-CE3 3.48Å; Y378-W396 AromaticContact CE2-CZ3 3.67Å; Y378-W396 HydrophobicContact CE2-CZ3 3.67Å; Y378-W396 AromaticContact CG-CE3 3.85Å; Y378-W396 HydrophobicContact CG-CE3 3.85Å; Y378-W396 HydrophobicContact CG-CZ3 4.32Å; Y378-W396 AromaticContact CZ-CE3 3.65Å; Y378-Q463 PolarHBondContact O-NE2 3.05Å
379I90.6Very high69.8Low1 Ų190.3 Ų90.31%0.00547%0.47CS..EExtended strand (participates in β ladder)trans-130.4140.6-179.6-67-174.8000110.5D377 V381 Y395 C397 L456 W467D377-I379 HydrophobicContact CB-CG1 4.36Å; I379-V381 HydrophobicContact CG2-CG2 4.32Å; I379-Y395 PolarHBondContact N-O 3.32Å; I379-Y395 PolarHBondContact O-N 2.9Å; I379-C397 HydrophobicContact CB-CB 4.31Å; I379-C397 HydrophobicContact CD1-CB 4.41Å; I379-L456 HydrophobicContact CG2-CB 3.97Å; I379-L456 HydrophobicContact CG2-CD2 4.19Å; I379-W467 HydrophobicContact CD1-CD2 3.24Å; I379-W467 HydrophobicContact CD1-CE3 3.44Å; I379-W467 VanDerWaalsContact CD1-CE3 3.44Å; I379-W467 HydrophobicContact CD1-CG 3.86Å; I379-W467 HydrophobicContact CD1-CH2 3.7Å; I379-W467 HydrophobicContact CD1-CZ2 3.5Å; I379-W467 HydrophobicContact CD1-CZ3 3.66Å; I379-W467 HydrophobicContact CG1-CZ2 4.44Å
380K90.8Very high70.4Confident63 Ų6388.8 Ų88.827%0.27446%0.457SS..EExtended strand (participates in β ladder)trans-83.8114.6174-71.9165.2-171139.70109.2Y392 K393 Q394 R457 D459K380-Y392 HydrophobicContact CB-CD1 4.06Å; K380-K393 CarbonylContact C-O 3.26Å; K380-K393 WeakPolarHBondContact CA-O 3.37Å; K380-Q394 HydrophobicContact CG-CB 4.35Å; K380-R457 HydrophobicContact CB-CB 4.03Å; K380-R457 PolarHBondContact N-O 2.81Å; K380-R457 PolarHBondContact O-N 3.41Å; K380-D459 IonicContact NZ-OD1 3.31Å; K380-D459 PolarHBondContact NZ-OD1 3.46Å
381V88.5Confident71.4Confident10 Ų1085.2 Ų85.26%0.06145%0.446CS..EExtended strand (participates in β ladder)trans-106.5134-178.7-173.10000110.1I379 K393 Y395 I454 W455 L456I379-V381 HydrophobicContact CG2-CG2 4.32Å; V381-K393 PolarHBondContact N-O 3.46Å; V381-K393 PolarHBondContact O-N 3.45Å; V381-Y395 HydrophobicContact CB-CD2 3.81Å; V381-Y395 HydrophobicContact CB-CE2 4.14Å; V381-Y395 HydrophobicContact CG2-CD2 3.86Å; V381-I454 HydrophobicContact CG1-CG2 3.77Å; V381-W455 WeakPolarHBondContact CA-O 3.49Å; V381-L456 HydrophobicContact CB-CD2 4.41Å; V381-L456 HydrophobicContact CG1-CD2 4.12Å; V381-L456 HydrophobicContact CG2-CD2 3.79Å
382F86.8Confident72.9Confident40 Ų4084.5 Ų84.518%0.17543%0.429CS..EExtended strand (participates in β ladder)trans-126.1135.8174.3174.7-102000110.7P384 K390 Y392 W455F382-P384 HydrophobicContact CE1-CB 4.06Å; F382-P384 HydrophobicContact CE1-CG 4.35Å; F382-P384 HydrophobicContact CZ-CB 4.36Å; F382-K390 WeakPolarHBondContact CD2-O 3.33Å; F382-K390 WeakPolarHBondContact CE2-O 3.48Å; F382-Y392 HydrophobicContact CB-CD1 3.54Å; F382-Y392 HydrophobicContact CB-CD2 4.31Å; F382-Y392 HydrophobicContact CB-CE1 3.57Å; F382-Y392 HydrophobicContact CB-CE2 4.33Å; F382-Y392 HydrophobicContact CB-CG 3.94Å; F382-W455 HydrophobicContact CB-CB 4.29Å; F382-W455 HydrophobicContact CD1-CB 4.38Å; F382-W455 AromaticContact CD1-CD2 3.91Å; F382-W455 HydrophobicContact CD1-CD2 3.91Å; F382-W455 AromaticContact CD1-CE3 3.7Å; F382-W455 HydrophobicContact CD1-CE3 3.7Å; F382-W455 HydrophobicContact CD1-CG 4.22Å; F382-W455 HydrophobicContact CD1-CZ3 4.33Å; F382-W455 HydrophobicContact CE1-CD2 4.4Å; F382-W455 HydrophobicContact CE1-CE3 4.1Å; F382-W455 HydrophobicContact CE1-CZ3 4.29Å; F382-W455 PolarHBondContact N-O 3.27Å; F382-W455 PolarHBondContact O-N 2.89Å
383K79.9Confident74.1Confident86 Ų8684.8 Ų84.837%0.37443%0.427SS..  trans-130.7107.5179-172.7174.7-173.61670109.5K385 N452K383-K385 PolarHBondContact O-N 3.41Å; K383-N452 WeakPolarHBondContact CE-OD1 3.34Å; K383-N452 PolarHBondContact NZ-ND2 3.02Å; K383-N452 PolarHBondContact NZ-OD1 3.38Å; K383-N452 VanDerWaalsContact NZ-OD1 3.14Å
384P68.8Low74.8Confident56 Ų5687.5 Ų87.536%0.36444%0.435SS..  trans-67.3121.8178.925.2-30.7000110.5F382 E453F382-P384 HydrophobicContact CE1-CB 4.06Å; F382-P384 HydrophobicContact CE1-CG 4.35Å; F382-P384 HydrophobicContact CZ-CB 4.36Å; P384-E453 WeakPolarHBondContact CD-O 3.33Å; P384-E453 HydrophobicContact CG-CB 4.24Å; P384-E453 HydrophobicContact CG-CG 4.29Å
385K61.3Low75.1Confident148 Ų14884.3 Ų84.364%0.64342%0.419SS*.  trans-112.6138.7169.6-73.9-169177.9-172.10109.7K383 L387K383-K385 PolarHBondContact O-N 3.41Å; K385-L387 PolarHBondContact O-N 3.42Å
386K50.2Low75.2Confident215 Ų21584.4 Ų84.494%0.93542%0.417SS*.THydrogen-bonded Turntrans-56.6-8.7-175.5-73.6-175.9176.4178.60116.4
387L42.8Very low75.3Confident165 Ų16582.6 Ų82.686%0.86440%0.403SS*.THydrogen-bonded Turntrans-144.18.9-173.8-106.1126.9000117.3K385K385-L387 PolarHBondContact O-N 3.42Å
388T44.3Very low75.3Confident93 Ų9380.6 Ų80.657%0.57139%0.393SS*.  trans-151.7120.7171.154.40000111.6K390T388-K390 PolarHBondContact O-N 3Å
389L45.8Very low75.3Confident181 Ų18176.7 Ų76.795%0.94838%0.377SS*.  trans-69.6103.4169.4-85.3144000109.8
390K53.4Low75.1Confident141 Ų14181.1 Ų81.161%0.61340%0.396SS*.  trans-120.5118.9158.5-73.8-170.7179178.70108F382 T388F382-K390 WeakPolarHBondContact CD2-O 3.33Å; F382-K390 WeakPolarHBondContact CE2-O 3.48Å; T388-K390 PolarHBondContact O-N 3Å
391G68.9Low74.8Confident53 Ų5381.6 Ų81.655%0.54640%0.402SS..  trans-65.2-176.1177.700000113.5K393G391-K393 PolarHBondContact O-N 2.8Å
392Y81.3Confident74.8Confident78 Ų7881.5 Ų81.531%0.30640%0.401SS..  trans-52136.1179.4-73.3-91.6000112.4K380 F382 N440 W455 R457K380-Y392 HydrophobicContact CB-CD1 4.06Å; F382-Y392 HydrophobicContact CB-CD1 3.54Å; F382-Y392 HydrophobicContact CB-CD2 4.31Å; F382-Y392 HydrophobicContact CB-CE1 3.57Å; F382-Y392 HydrophobicContact CB-CE2 4.33Å; F382-Y392 HydrophobicContact CB-CG 3.94Å; Y392-N440 PolarHBondContact OH-ND2 3.41Å; Y392-W455 HydrophobicContact CE1-CB 4.46Å; Y392-R457 HydrophobicContact CD1-CB 4.17Å; Y392-R457 HydrophobicContact CE1-CB 3.83Å
393K85.5Confident74.8Confident98 Ų9880.9 Ų80.943%0.42640%0.402SS..EExtended strand (participates in β ladder)trans-122.2137.2172.6-70.6-174.4173.8-164.90110K380 V381 G391 Y395K380-K393 CarbonylContact C-O 3.26Å; K380-K393 WeakPolarHBondContact CA-O 3.37Å; V381-K393 PolarHBondContact N-O 3.46Å; V381-K393 PolarHBondContact O-N 3.45Å; G391-K393 PolarHBondContact O-N 2.8Å; K393-Y395 HydrophobicContact CB-CD2 4.31Å; K393-Y395 HydrophobicContact CB-CE2 3.59Å; K393-Y395 VanDerWaalsContact O-CD2 3.29Å; K393-Y395 WeakPolarHBondContact O-CD2 3.47Å
394Q89.7Confident75.4Confident108 Ų10876.8 Ų76.851%0.50539%0.385SS..EExtended strand (participates in β ladder)trans-80.4132.3177.6-171.4169.1-11.200110.1Y378 K380Y378-Q394 HydrophobicContact CD1-CG 4.19Å; K380-Q394 HydrophobicContact CG-CB 4.35Å
395Y89.3Confident76.4Confident34 Ų3474.8 Ų74.813%0.13337%0.372CS..EExtended strand (participates in β ladder)trans-131.8155.4176.1-67.1-83000109.4Y378 I379 V381 K393 C406 Y407 A418Y378-Y395 WeakPolarHBondContact CA-O 3.14Å; I379-Y395 PolarHBondContact N-O 3.32Å; I379-Y395 PolarHBondContact O-N 2.9Å; V381-Y395 HydrophobicContact CB-CD2 3.81Å; V381-Y395 HydrophobicContact CB-CE2 4.14Å; V381-Y395 HydrophobicContact CG2-CD2 3.86Å; K393-Y395 HydrophobicContact CB-CD2 4.31Å; K393-Y395 HydrophobicContact CB-CE2 3.59Å; K393-Y395 VanDerWaalsContact O-CD2 3.29Å; K393-Y395 WeakPolarHBondContact O-CD2 3.47Å; Y395-C406 HydrophobicContact CG-CB 4.31Å; Y395-Y407 CarbonylContact C-O 3.55Å; Y395-Y407 WeakPolarHBondContact CA-O 3.4Å; Y395-Y407 WeakPolarHBondContact CB-O 3.5Å; Y395-Y407 WeakPolarHBondContact CD1-O 3.45Å; Y395-A418 HydrophobicContact CE1-CB 4.43Å
396W90.5Very high77.8Confident29 Ų2967.8 Ų67.811%0.1134%0.341CS..EExtended strand (participates in β ladder)trans-81.3110.3164.1-179.6-103.5000108.1A376 Y378 C406 Y407 K410A376-W396 HydrophobicContact CB-CH2 4.23Å; A376-W396 HydrophobicContact CB-CZ2 3.6Å; Y378-W396 HydrophobicContact CD1-CB 4.31Å; Y378-W396 HydrophobicContact CD1-CE3 4Å; Y378-W396 AromaticContact CD2-CE3 3.59Å; Y378-W396 HydrophobicContact CD2-CE3 3.59Å; Y378-W396 AromaticContact CD2-CZ3 3.69Å; Y378-W396 HydrophobicContact CD2-CZ3 3.69Å; Y378-W396 HydrophobicContact CE1-CB 4Å; Y378-W396 AromaticContact CE1-CE3 3.91Å; Y378-W396 HydrophobicContact CE1-CE3 3.91Å; Y378-W396 AromaticContact CE2-CE3 3.48Å; Y378-W396 HydrophobicContact CE2-CE3 3.48Å; Y378-W396 VanDerWaalsContact CE2-CE3 3.48Å; Y378-W396 AromaticContact CE2-CZ3 3.67Å; Y378-W396 HydrophobicContact CE2-CZ3 3.67Å; Y378-W396 AromaticContact CG-CE3 3.85Å; Y378-W396 HydrophobicContact CG-CE3 3.85Å; Y378-W396 HydrophobicContact CG-CZ3 4.32Å; Y378-W396 AromaticContact CZ-CE3 3.65Å; W396-C406 CarbonylContact O-C 3.44Å; W396-C406 WeakPolarHBondContact O-CA 3.4Å; W396-Y407 PolarHBondContact N-O 2.85Å; W396-Y407 WeakPolarHBondContact O-CD2 3.41Å; W396-Y407 PolarHBondContact O-N 3.01Å; W396-K410 HydrophobicContact CD2-CB 3.9Å; W396-K410 HydrophobicContact CD2-CD 4.5Å; W396-K410 HydrophobicContact CD2-CG 4.06Å; W396-K410 HydrophobicContact CE3-CB 4.19Å; W396-K410 HydrophobicContact CE3-CD 4.45Å; W396-K410 HydrophobicContact CE3-CG 4.45Å; W396-K410 HydrophobicContact CG-CB 4.13Å; W396-K410 HydrophobicContact CH2-CD 3.88Å; W396-K410 HydrophobicContact CH2-CG 4.37Å; W396-K410 HydrophobicContact CZ2-CD 3.88Å; W396-K410 HydrophobicContact CZ2-CG 3.94Å; W396-K410 HydrophobicContact CZ3-CD 4.16Å
397C91.3Very high79.6Confident0 Ų058.8 Ų58.80%030%0.302CS..EExtended strand (participates in β ladder)trans-107.2131-175.3-65.40000110.2A376 D377 I379 I404 S405 C406 W467A376-C397 WeakPolarHBondContact CA-O 3.08Å; D377-C397 PolarHBondContact N-O 2.86Å; D377-C397 PolarHBondContact O-N 2.9Å; I379-C397 HydrophobicContact CB-CB 4.31Å; I379-C397 HydrophobicContact CD1-CB 4.41Å; C397-I404 HydrophobicContact CB-CG2 4.44Å; C397-S405 CarbonylContact C-O 3.59Å; C397-S405 WeakPolarHBondContact CA-O 3.43Å; C397-C406 PolarHBondContact SG-SG 2.69Å; C397-W467 HydrophobicContact CB-CH2 3.59Å; C397-W467 HydrophobicContact CB-CZ2 4.32Å; C397-W467 HydrophobicContact CB-CZ3 4.2Å; C397-W467 WeakPolarHBondContact O-CH2 3.25Å
398T90.2Very high81.6Confident11 Ų1157.9 Ų57.97%0.06729%0.291CS..EExtended strand (participates in β ladder)trans-114.2129.9172.2640000110E374 L375 A376 I404 S405 Y407E374-T398 WeakPolarHBondContact OE1-CB 3.46Å; E374-T398 WeakPolarHBondContact OE1-CG2 3.46Å; L375-T398 CarbonylContact O-C 3.57Å; L375-T398 VanDerWaalsContact O-CA 3.25Å; L375-T398 WeakPolarHBondContact O-CA 3.36Å; A376-T398 HydrophobicContact CB-CG2 3.97Å; T398-I404 WeakPolarHBondContact O-CA 3.15Å; T398-S405 PolarHBondContact N-O 3.12Å; T398-S405 PolarHBondContact O-N 3.22Å; T398-Y407 HydrophobicContact CG2-CE2 4.14Å
399F90.4Very high83.5Confident1 Ų154.9 Ų54.90%0.00427%0.274CS..EExtended strand (participates in β ladder)trans-104.8116.8174.4-164.6-69.6000108.8E374 L375 I404 L423 W467 A470 A474 M480E374-F399 WeakPolarHBondContact CA-O 3.45Å; L375-F399 HydrophobicContact CB-CB 4Å; L375-F399 PolarHBondContact N-O 3.02Å; L375-F399 VanDerWaalsContact N-O 3.13Å; L375-F399 PolarHBondContact O-N 3.23Å; F399-I404 HydrophobicContact CD2-CD1 3.88Å; F399-I404 HydrophobicContact CD2-CG1 3.42Å; F399-I404 VanDerWaalsContact CD2-CG1 3.42Å; F399-I404 HydrophobicContact CE2-CD1 4.06Å; F399-I404 HydrophobicContact CE2-CG1 3.79Å; F399-I404 HydrophobicContact CG-CG1 4.29Å; F399-L423 HydrophobicContact CE2-CD1 3.61Å; F399-L423 HydrophobicContact CZ-CD1 4.08Å; F399-W467 HydrophobicContact CB-CH2 4.08Å; F399-W467 HydrophobicContact CB-CZ3 4.04Å; F399-W467 HydrophobicContact CD2-CE3 4.33Å; F399-W467 HydrophobicContact CD2-CZ3 4.16Å; F399-A470 HydrophobicContact CD1-CB 4.24Å; F399-A470 HydrophobicContact CD2-CB 4.09Å; F399-A470 HydrophobicContact CE1-CB 4Å; F399-A470 HydrophobicContact CE2-CB 3.84Å; F399-A470 HydrophobicContact CG-CB 4.3Å; F399-A470 HydrophobicContact CZ-CB 3.79Å; F399-A470 WeakPolarHBondContact CZ-O 3.4Å; F399-A474 HydrophobicContact CE1-CB 4.35Å; F399-A474 HydrophobicContact CZ-CB 3.62Å; F399-M480 HydrophobicContact CB-CE 4.49Å; F399-M480 HydrophobicContact CD1-CE 3.65Å; F399-M480 HydrophobicContact CD1-CG 4.48Å; F399-M480 HydrophobicContact CD1-SD 3.84Å; F399-M480 HydrophobicContact CE1-CE 4.37Å; F399-M480 HydrophobicContact CE1-CG 4.35Å; F399-M480 HydrophobicContact CE1-SD 4.25Å; F399-M480 HydrophobicContact CG-CE 4.44Å; F399-M480 HydrophobicContact CG-SD 4.47Å; F399-M480 WeakPolarHBondContact O-CE 3.38Å
400K87.1Confident85.2Confident93 Ų9351.5 Ų51.540%0.40425%0.251SS..EExtended strand (participates in β ladder)trans-136.2133.3178.7-167.5171.8-178.2169.40110.2I372 T402 S403I372-K400 HydrophobicContact CG2-CG 4.05Å; K400-T402 PolarHBondContact O-N 3.46Å; K400-S403 PolarHBondContact N-O 3.13Å; K400-S403 PolarHBondContact O-N 2.99Å
401D85.3Confident86.5Confident73 Ų7351.6 Ų51.639%0.3925%0.254SS..THydrogen-bonded Turntrans55.9-93-174.2-56.7-48.5000113.3I372I372-D401 WeakPolarHBondContact CG2-OD1 3.33Å
402T87.2Confident86.8Confident8 Ų853.8 Ų53.85%0.04925%0.25CC..THydrogen-bonded Turntrans-133.814.3-179.951.50000112.4K400 L423 R424 A474 T479K400-T402 PolarHBondContact O-N 3.46Å; T402-L423 PolarHBondContact O-N 3.21Å; T402-R424 HydrophobicContact CG2-CG 4.45Å; T402-A474 HydrophobicContact CG2-CB 4.08Å; T402-T479 HydrophobicContact CG2-CG2 4.38Å
403S88.4Confident86.2Confident28 Ų2852.4 Ų52.420%0.19625%0.252CS..EExtended strand (participates in β ladder)trans-126.8146.3-174.7-62.80000112.4K400 M421K400-S403 PolarHBondContact N-O 3.13Å; K400-S403 PolarHBondContact O-N 2.99Å; S403-M421 CarbonylContact C-O 3.56Å; S403-M421 WeakPolarHBondContact CA-O 3.39Å; S403-M421 WeakPolarHBondContact CB-O 3.3Å
404I91.6Very high85.3Confident0 Ų053.3 Ų53.30%027%0.27CS..EExtended strand (participates in β ladder)trans-106.8128172-60.5176.5000108.5C397 T398 F399 Q420 M421 L423 L443 L456 W467C397-I404 HydrophobicContact CB-CG2 4.44Å; T398-I404 WeakPolarHBondContact O-CA 3.15Å; F399-I404 HydrophobicContact CD2-CD1 3.88Å; F399-I404 HydrophobicContact CD2-CG1 3.42Å; F399-I404 VanDerWaalsContact CD2-CG1 3.42Å; F399-I404 HydrophobicContact CE2-CD1 4.06Å; F399-I404 HydrophobicContact CE2-CG1 3.79Å; F399-I404 HydrophobicContact CG-CG1 4.29Å; I404-Q420 WeakPolarHBondContact O-CA 3.42Å; I404-M421 HydrophobicContact CB-CG 3.84Å; I404-M421 HydrophobicContact CB-SD 4.33Å; I404-M421 PolarHBondContact N-O 2.75Å; I404-M421 PolarHBondContact O-N 3.35Å; I404-L423 HydrophobicContact CD1-CD1 3.76Å; I404-L423 HydrophobicContact CG1-CD1 3.97Å; I404-L443 HydrophobicContact CD1-CD1 4.3Å; I404-L456 HydrophobicContact CD1-CD1 3.77Å; I404-W467 HydrophobicContact CD1-CZ3 4.19Å; I404-W467 HydrophobicContact CG1-CZ3 4.37Å; I404-W467 HydrophobicContact CG2-CZ3 4.32Å
405S90.4Very high84.3Confident14 Ų1450.2 Ų50.210%0.09827%0.267CS..EExtended strand (participates in β ladder)trans-114.2126.7172.1-65.30000109.6C397 T398 H419C397-S405 CarbonylContact C-O 3.59Å; C397-S405 WeakPolarHBondContact CA-O 3.43Å; T398-S405 PolarHBondContact N-O 3.12Å; T398-S405 PolarHBondContact O-N 3.22Å; S405-H419 CarbonylContact C-O 3.58Å; S405-H419 WeakPolarHBondContact CA-O 3.43Å
406C89.4Confident83.5Confident0 Ų055 Ų550%030%0.301CS..EExtended strand (participates in β ladder)trans-112.9128.3-179.3-49.60000110.5Y395 W396 C397 P417 A418 H419Y395-C406 HydrophobicContact CG-CB 4.31Å; W396-C406 CarbonylContact O-C 3.44Å; W396-C406 WeakPolarHBondContact O-CA 3.4Å; C397-C406 PolarHBondContact SG-SG 2.69Å; C406-P417 CarbonylContact O-C 3.49Å; C406-A418 WeakPolarHBondContact O-CA 3.44Å; C406-A418 WeakPolarHBondContact O-CB 3.05Å; C406-A418 PolarHBondContact O-N 2.89Å; C406-H419 HydrophobicContact CB-CB 4.11Å; C406-H419 PolarHBondContact N-O 3.41Å; C406-H419 PolarHBondContact O-N 2.95Å
407Y88.8Confident83.1Confident27 Ų2755.6 Ų55.611%0.10631%0.308CS..EExtended strand (participates in β ladder)trans-116.8156178.7-52.2-90.1000110.3Y395 W396 T398 S409 E412 G415 P417Y395-Y407 CarbonylContact C-O 3.55Å; Y395-Y407 WeakPolarHBondContact CA-O 3.4Å; Y395-Y407 WeakPolarHBondContact CB-O 3.5Å; Y395-Y407 WeakPolarHBondContact CD1-O 3.45Å; W396-Y407 PolarHBondContact N-O 2.85Å; W396-Y407 WeakPolarHBondContact O-CD2 3.41Å; W396-Y407 PolarHBondContact O-N 3.01Å; T398-Y407 HydrophobicContact CG2-CE2 4.14Å; Y407-S409 VanDerWaalsContact C-N 3.34Å; Y407-E412 WeakPolarHBondContact CD1-O 3.27Å; Y407-G415 WeakPolarHBondContact CE1-O 3.33Å; Y407-P417 HydrophobicContact CD1-CB 4.17Å; Y407-P417 HydrophobicContact CE1-CB 3.68Å; Y407-P417 HydrophobicContact CE1-CG 4.44Å
408K83.9Confident82.5Confident146 Ų14657.7 Ų57.764%0.63533%0.325SS*.SBendtrans-69.8-33.8-178.9-66.6176.8-177.8167.60112.4
409S84.3Confident82Confident30 Ų3060.8 Ų60.821%0.2134%0.339CS..SBendtrans-147.1168174.279.90000110.7Y407 E411 E412Y407-S409 VanDerWaalsContact C-N 3.34Å; S409-E411 VanDerWaalsContact C-N 3.28Å; S409-E411 WeakPolarHBondContact CB-OE2 3.25Å; S409-E411 PolarHBondContact O-N 3.47Å; S409-E411 PolarHBondContact OG-OE2 3.4Å; S409-E412 PolarHBondContact O-N 2.94Å
410K82.8Confident81.8Confident110 Ų11067.4 Ų67.448%0.47837%0.37SS..G310 helixtrans-65.6-32.1179.9-177174179.8178.10112.1W396 E412 S413W396-K410 HydrophobicContact CD2-CB 3.9Å; W396-K410 HydrophobicContact CD2-CD 4.5Å; W396-K410 HydrophobicContact CD2-CG 4.06Å; W396-K410 HydrophobicContact CE3-CB 4.19Å; W396-K410 HydrophobicContact CE3-CD 4.45Å; W396-K410 HydrophobicContact CE3-CG 4.45Å; W396-K410 HydrophobicContact CG-CB 4.13Å; W396-K410 HydrophobicContact CH2-CD 3.88Å; W396-K410 HydrophobicContact CH2-CG 4.37Å; W396-K410 HydrophobicContact CZ2-CD 3.88Å; W396-K410 HydrophobicContact CZ2-CG 3.94Å; W396-K410 HydrophobicContact CZ3-CD 4.16Å; K410-E412 VanDerWaalsContact C-N 3.27Å; K410-E412 PolarHBondContact O-N 3.37Å; K410-S413 VanDerWaalsContact O-CB 3.23Å; K410-S413 WeakPolarHBondContact O-CB 3.26Å; K410-S413 PolarHBondContact O-N 2.73Å; K410-S413 PolarHBondContact O-OG 3.27Å
411E79.8Confident81.8Confident142 Ų14263.7 Ų63.766%0.66435%0.354SS*.G310 helixtrans-69.2-25.1179.7-55.171.7-149.200112.3S409S409-E411 VanDerWaalsContact C-N 3.28Å; S409-E411 WeakPolarHBondContact CB-OE2 3.25Å; S409-E411 PolarHBondContact O-N 3.47Å; S409-E411 PolarHBondContact OG-OE2 3.4Å
412E75.1Confident81.8Confident100 Ų10064 Ų6447%0.46736%0.355SS..G310 helixtrans-89.74.6176.4-66.9-177-175.200113.5Y407 S409 K410 S414 G415Y407-E412 WeakPolarHBondContact CD1-O 3.27Å; S409-E412 PolarHBondContact O-N 2.94Å; K410-E412 VanDerWaalsContact C-N 3.27Å; K410-E412 PolarHBondContact O-N 3.37Å; E412-S414 PolarHBondContact O-N 2.89Å; E412-G415 PolarHBondContact O-N 3.26Å
413S69.1Low81.8Confident49 Ų4963.6 Ų63.634%0.34335%0.353SS..THydrogen-bonded Turntrans-66.4-15.2-176.260.20000114.9K410K410-S413 VanDerWaalsContact O-CB 3.23Å; K410-S413 WeakPolarHBondContact O-CB 3.26Å; K410-S413 PolarHBondContact O-N 2.73Å; K410-S413 PolarHBondContact O-OG 3.27Å
414S65.8Low81.6Confident117 Ų11769.7 Ų69.782%0.81837%0.372SS*.THydrogen-bonded Turntrans-89.4-5.1171.9570000113.6E412E412-S414 PolarHBondContact O-N 2.89Å
415G69.3Low81.1Confident43 Ų4372.3 Ų72.344%0.44340%0.399SS..SBendtrans-95.2-166.5179.100000113.8Y407 E412Y407-G415 WeakPolarHBondContact CE1-O 3.33Å; E412-G415 PolarHBondContact O-N 3.26Å
416T72.4Confident80.9Confident135 Ų13572.1 Ų72.183%0.82840%0.398SS*.  trans-73.3127.8176.350.50000111
417P82.4Confident80.8Confident41 Ų4178 Ų7827%0.26643%0.425SS..  trans-65.1140.8-179.625.8-33.4000111.6C406 Y407 H419 Q420C406-P417 CarbonylContact O-C 3.49Å; Y407-P417 HydrophobicContact CD1-CB 4.17Å; Y407-P417 HydrophobicContact CE1-CB 3.68Å; Y407-P417 HydrophobicContact CE1-CG 4.44Å; P417-H419 VanDerWaalsContact C-N 3.3Å; P417-Q420 HydrophobicContact CG-CB 4.1Å
418A78.9Confident80.8Confident44 Ų4478 Ų7836%0.36443%0.428SS..SBendtrans-66.3-36.2174.900000111.4Y395 C406Y395-A418 HydrophobicContact CE1-CB 4.43Å; C406-A418 WeakPolarHBondContact O-CA 3.44Å; C406-A418 WeakPolarHBondContact O-CB 3.05Å; C406-A418 PolarHBondContact O-N 2.89Å
419H80.3Confident81Confident75 Ų7573.6 Ų73.635%0.34741%0.413SS..EExtended strand (participates in β ladder)trans-138133.7172.7-58.7-44000109.7S405 C406 P417 M421S405-H419 CarbonylContact C-O 3.58Å; S405-H419 WeakPolarHBondContact CA-O 3.43Å; C406-H419 HydrophobicContact CB-CB 4.11Å; C406-H419 PolarHBondContact N-O 3.41Å; C406-H419 PolarHBondContact O-N 2.95Å; P417-H419 VanDerWaalsContact C-N 3.3Å; H419-M421 HydrophobicContact CB-CE 4.38Å
420Q85.1Confident81.3Confident140 Ų14075.2 Ų75.265%0.65442%0.423SS*.EExtended strand (participates in β ladder)trans-128.7132.6170.8-171.51761300108.4I404 P417I404-Q420 WeakPolarHBondContact O-CA 3.42Å; P417-Q420 HydrophobicContact CG-CB 4.1Å
421M86.3Confident81.4Confident15 Ų1572.8 Ų72.87%0.07442%0.415CS..EExtended strand (participates in β ladder)trans-140.7134.5-177.763.6-166.481.400111.5S403 I404 H419 L423 L443 I445 I454S403-M421 CarbonylContact C-O 3.56Å; S403-M421 WeakPolarHBondContact CA-O 3.39Å; S403-M421 WeakPolarHBondContact CB-O 3.3Å; I404-M421 HydrophobicContact CB-CG 3.84Å; I404-M421 HydrophobicContact CB-SD 4.33Å; I404-M421 PolarHBondContact N-O 2.75Å; I404-M421 PolarHBondContact O-N 3.35Å; H419-M421 HydrophobicContact CB-CE 4.38Å; M421-L423 HydrophobicContact CG-CD2 4.22Å; M421-L443 HydrophobicContact SD-CD1 4.5Å; M421-I445 HydrophobicContact CB-CD1 3.89Å; M421-I445 HydrophobicContact CG-CD1 4.14Å; M421-I445 HydrophobicContact SD-CD1 3.79Å; M421-I454 HydrophobicContact CE-CD1 3.52Å; M421-I454 HydrophobicContact CE-CG2 4.27Å; M421-I454 HydrophobicContact SD-CD1 3.63Å; M421-I454 HydrophobicContact SD-CG2 4.34Å
422N87.2Confident81.6Confident79 Ų7968.1 Ų68.142%0.42240%0.396SS..EExtended strand (participates in β ladder)trans-95.4130.8172.9-172.8-21.4000108.8R424 I445N422-R424 WeakPolarHBondContact OD1-CG 3.43Å; N422-R424 PolarHBondContact OD1-N 2.61Å; N422-I445 WeakPolarHBondContact O-CG2 3.49Å
423L86.9Confident81.8Confident0 Ų066.9 Ų66.90%039%0.393CS..  trans-95.7-1.7-174.2-59.2-177000113.6F399 T402 I404 M421 G425 C426 L443 I445 C471 A474 S475F399-L423 HydrophobicContact CE2-CD1 3.61Å; F399-L423 HydrophobicContact CZ-CD1 4.08Å; T402-L423 PolarHBondContact O-N 3.21Å; I404-L423 HydrophobicContact CD1-CD1 3.76Å; I404-L423 HydrophobicContact CG1-CD1 3.97Å; M421-L423 HydrophobicContact CG-CD2 4.22Å; L423-G425 PolarHBondContact O-N 3.12Å; L423-C426 VanDerWaalsContact O-CB 3.28Å; L423-C426 WeakPolarHBondContact O-CB 3.17Å; L423-C426 PolarHBondContact O-N 3.1Å; L423-C426 PolarHBondContact O-SG 3.19Å; L423-L443 HydrophobicContact CD2-CD1 3.97Å; L423-I445 HydrophobicContact CD2-CD1 4Å; L423-I445 HydrophobicContact CD2-CG1 4.11Å; L423-C471 HydrophobicContact CD1-CB 4.33Å; L423-A474 HydrophobicContact CB-CB 3.94Å; L423-A474 HydrophobicContact CD1-CB 4.24Å; L423-S475 VanDerWaalsContact O-CA 3.3Å; L423-S475 WeakPolarHBondContact O-CA 3.26Å
424R84.2Confident82.2Confident156 Ų15665.6 Ų65.659%0.58938%0.382SS*.THydrogen-bonded Turntrans-58.4124.1178.9-72.6-172-174.7-167.8-1.3111.5T402 N422 C426T402-R424 HydrophobicContact CG2-CG 4.45Å; N422-R424 WeakPolarHBondContact OD1-CG 3.43Å; N422-R424 PolarHBondContact OD1-N 2.61Å; R424-C426 VanDerWaalsContact C-N 3.26Å; R424-C426 PolarHBondContact O-N 3.26Å
425G79.8Confident82.4Confident56 Ų5665.5 Ų65.558%0.57738%0.381SS*.THydrogen-bonded Turntrans71.715.4-178.400000114.5L423 S475L423-G425 PolarHBondContact O-N 3.12Å; G425-S475 PolarHBondContact N-O 3.2Å
426C87.4Confident82.6Confident10 Ų1065.6 Ų65.67%0.06838%0.382CS..  trans-78.6152.5172.880.30000111.8L423 R424 V428 L444 I445 S475L423-C426 VanDerWaalsContact O-CB 3.28Å; L423-C426 WeakPolarHBondContact O-CB 3.17Å; L423-C426 PolarHBondContact O-N 3.1Å; L423-C426 PolarHBondContact O-SG 3.19Å; R424-C426 VanDerWaalsContact C-N 3.26Å; R424-C426 PolarHBondContact O-N 3.26Å; C426-V428 VanDerWaalsContact SG-CG2 3.51Å; C426-L444 VanDerWaalsContact CA-O 3.27Å; C426-L444 WeakPolarHBondContact CA-O 3.48Å; C426-L444 WeakPolarHBondContact CB-O 3.35Å; C426-I445 HydrophobicContact CB-CG1 4.03Å; C426-S475 WeakPolarHBondContact O-CB 3.24Å
427E86.9Confident82.8Confident123 Ų12366 Ų6658%0.57538%0.375SS*.EExtended strand (participates in β ladder)trans-92.3128169.2-168.1-177.317200109.3L444E427-L444 HydrophobicContact CB-CB 4.15Å; E427-L444 HydrophobicContact CB-CD1 4.47Å; E427-L444 PolarHBondContact N-O 3.49Å; E427-L444 PolarHBondContact O-N 2.81Å
428V89.7Confident82.9Confident26 Ų2667.3 Ų67.316%0.15838%0.376CS..EExtended strand (participates in β ladder)trans-115.7111.7-175-174.20000109.1C426 I441 L443 M468 C471 R472C426-V428 VanDerWaalsContact SG-CG2 3.51Å; V428-I441 HydrophobicContact CG1-CG2 3.84Å; V428-L443 HydrophobicContact CB-CD2 4.29Å; V428-L443 HydrophobicContact CG1-CD2 3.95Å; V428-L443 HydrophobicContact CG2-CD2 3.82Å; V428-M468 HydrophobicContact CG1-CE 4.13Å; V428-M468 HydrophobicContact CG1-SD 3.58Å; V428-M468 VanDerWaalsContact CG1-SD 3.58Å; V428-C471 HydrophobicContact CG1-CB 3.94Å; V428-C471 HydrophobicContact CG2-CB 4.24Å; V428-R472 HydrophobicContact CG1-CG 4.36Å
429T87.7Confident83.5Confident54 Ų5465.5 Ų65.533%0.33136%0.36SS..EExtended strand (participates in β ladder)trans-114.7129.6-178-41.90000111K442T429-K442 PolarHBondContact N-O 2.87Å; T429-K442 PolarHBondContact O-N 2.79Å
430P89.4Confident83.9Confident64 Ų6462.1 Ų62.142%0.41635%0.345SS..EExtended strand (participates in β ladder)trans-73.2140.5171.728.3-31.5000111.8Y464 M468P430-Y464 WeakPolarHBondContact CB-OH 3.36Å; P430-M468 HydrophobicContact CB-CE 3.5Å; P430-M468 VanDerWaalsContact CB-CE 3.5Å; P430-M468 HydrophobicContact CG-CE 4.02Å
431D84.9Confident84.2Confident60 Ų6055.5 Ų55.532%0.32131%0.314SS..EExtended strand (participates in β ladder)trans-133.277.8166.3168.531.4000108.1K438 N440D431-K438 IonicContact OD1-NZ 3.34Å; D431-K438 PolarHBondContact OD1-NZ 3.42Å; D431-K438 WeakPolarHBondContact OD2-CE 3.33Å; D431-K438 IonicContact OD2-NZ 3.3Å; D431-K438 PolarHBondContact OD2-NZ 3.15Å; D431-N440 HydrophobicContact CB-CB 3.84Å; D431-N440 PolarHBondContact N-O 2.89Å; D431-N440 WeakPolarHBondContact O-CB 3.32Å; D431-N440 PolarHBondContact O-N 3.1Å; D431-N440 PolarHBondContact OD2-ND2 3.14Å
432V84.3Confident84.5Confident43 Ų4358 Ų5826%0.26132%0.324SS..EExtended strand (participates in β ladder)trans-110.7131.9-174.5-177.20000111.1I434 K438 F439 Y464 L496V432-I434 HydrophobicContact CG1-CG1 4.07Å; V432-K438 CarbonylContact C-O 3.51Å; V432-K438 VanDerWaalsContact CA-O 3.25Å; V432-K438 WeakPolarHBondContact CA-O 3.36Å; V432-F439 HydrophobicContact CG1-CD1 3.72Å; V432-F439 HydrophobicContact CG1-CE1 3.96Å; V432-Y464 HydrophobicContact CG2-CD1 4.36Å; V432-Y464 HydrophobicContact CG2-CD2 4.2Å; V432-Y464 HydrophobicContact CG2-CE1 3.64Å; V432-Y464 HydrophobicContact CG2-CE2 3.44Å; V432-Y464 VanDerWaalsContact CG2-CE2 3.44Å; V432-Y464 WeakPolarHBondContact CG2-OH 3.34Å; V432-L496 HydrophobicContact CG1-CD2 4.09Å
433N79.4Confident84.6Confident74 Ų7454.2 Ų54.240%0.39630%0.304SS..EExtended strand (participates in β ladder)trans-132107.5164.3176.5-8.2000108.1S435 G436 Q437 K438N433-S435 PolarHBondContact OD1-N 2.68Å; N433-S435 PolarHBondContact OD1-OG 3.35Å; N433-G436 CarbonylContact O-C 3.58Å; N433-G436 PolarHBondContact O-N 3.45Å; N433-G436 PolarHBondContact OD1-N 3.19Å; N433-Q437 PolarHBondContact O-N 2.94Å; N433-K438 HydrophobicContact CB-CB 4.11Å; N433-K438 PolarHBondContact N-O 2.89Å; N433-K438 PolarHBondContact O-N 3.24Å
434I77.2Confident84.7Confident22 Ų2256 Ų5611%0.11331%0.313CS..THydrogen-bonded Turntrans-66.5-45.9-176.2-59.4-175000111.2V432 G436 Q437 F439 L496 Q499 H500V432-I434 HydrophobicContact CG1-CG1 4.07Å; I434-G436 VanDerWaalsContact C-N 3.26Å; I434-G436 PolarHBondContact O-N 2.73Å; I434-Q437 PolarHBondContact O-N 2.95Å; I434-Q437 VanDerWaalsContact O-N 3.08Å; I434-F439 HydrophobicContact CG1-CE1 4.44Å; I434-L496 HydrophobicContact CD1-CB 4.28Å; I434-L496 HydrophobicContact CD1-CD2 3.7Å; I434-L496 WeakPolarHBondContact CD1-O 3.43Å; I434-L496 HydrophobicContact CG1-CD2 4.06Å; I434-Q499 HydrophobicContact CD1-CB 3.42Å; I434-Q499 VanDerWaalsContact CD1-CB 3.42Å; I434-Q499 HydrophobicContact CD1-CG 4.28Å; I434-H500 WeakPolarHBondContact CG2-NE2 3.45Å
435S71.5Confident84.8Confident115 Ų11549 Ų4980%0.80429%0.288SS*.THydrogen-bonded Turntrans-65.5-30.4-18061.30000112.6N433N433-S435 PolarHBondContact OD1-N 2.68Å; N433-S435 PolarHBondContact OD1-OG 3.35Å
436G72.5Confident84.9Confident45 Ų4549.3 Ų49.346%0.46428%0.28SS..THydrogen-bonded Turntrans-89.36174.100000115.7N433 I434 K438N433-G436 CarbonylContact O-C 3.58Å; N433-G436 PolarHBondContact O-N 3.45Å; N433-G436 PolarHBondContact OD1-N 3.19Å; I434-G436 VanDerWaalsContact C-N 3.26Å; I434-G436 PolarHBondContact O-N 2.73Å; G436-K438 PolarHBondContact O-N 3.38Å; G436-K438 VanDerWaalsContact O-N 3.12Å
437Q77.6Confident84.4Confident144 Ų14452.3 Ų52.367%0.67330%0.297SS*.THydrogen-bonded Turntrans44.741.8-172.8-63.8-172.8-600113.3N433 I434 F439N433-Q437 PolarHBondContact O-N 2.94Å; I434-Q437 PolarHBondContact O-N 2.95Å; I434-Q437 VanDerWaalsContact O-N 3.08Å; Q437-F439 HydrophobicContact CB-CE2 4.38Å
438K84.3Confident83.8Confident69 Ų6951.9 Ų51.930%0.332%0.315SS..EExtended strand (participates in β ladder)trans-106.9106.6-179.4-172.3-170.5175.7-154.90108D431 V432 N433 G436 N440D431-K438 IonicContact OD1-NZ 3.34Å; D431-K438 PolarHBondContact OD1-NZ 3.42Å; D431-K438 WeakPolarHBondContact OD2-CE 3.33Å; D431-K438 IonicContact OD2-NZ 3.3Å; D431-K438 PolarHBondContact OD2-NZ 3.15Å; V432-K438 CarbonylContact C-O 3.51Å; V432-K438 VanDerWaalsContact CA-O 3.25Å; V432-K438 WeakPolarHBondContact CA-O 3.36Å; N433-K438 HydrophobicContact CB-CB 4.11Å; N433-K438 PolarHBondContact N-O 2.89Å; N433-K438 PolarHBondContact O-N 3.24Å; G436-K438 PolarHBondContact O-N 3.38Å; G436-K438 VanDerWaalsContact O-N 3.12Å; K438-N440 WeakPolarHBondContact CE-ND2 3.4Å
439F90.1Very high82.6Confident5 Ų560.2 Ų60.22%0.02235%0.352CS..EExtended strand (participates in β ladder)trans-117.679.7179.3-56.9-72.6000110.1V432 I434 Q437 R457 C458 E461 Y464V432-F439 HydrophobicContact CG1-CD1 3.72Å; V432-F439 HydrophobicContact CG1-CE1 3.96Å; I434-F439 HydrophobicContact CG1-CE1 4.44Å; Q437-F439 HydrophobicContact CB-CE2 4.38Å; F439-R457 WeakPolarHBondContact O-CA 3.41Å; F439-C458 HydrophobicContact CB-CB 4.05Å; F439-C458 PolarHBondContact O-N 3.45Å; F439-E461 HydrophobicContact CD1-CG 4.4Å; F439-E461 HydrophobicContact CE1-CB 4.46Å; F439-E461 HydrophobicContact CE1-CG 3.42Å; F439-E461 VanDerWaalsContact CE1-CG 3.42Å; F439-E461 HydrophobicContact CE2-CG 4.3Å; F439-E461 HydrophobicContact CZ-CG 3.37Å; F439-Y464 HydrophobicContact CB-CD2 3.83Å; F439-Y464 HydrophobicContact CB-CG 3.98Å; F439-Y464 HydrophobicContact CD1-CG 4.21Å; F439-Y464 HydrophobicContact CG-CG 4.46Å
440N89.8Confident82Confident4 Ų459.5 Ų59.52%0.02136%0.356CS..EExtended strand (participates in β ladder)trans-102.3143.7-178.2-66.9-9.3000112Y392 D431 K438 L456 R457Y392-N440 PolarHBondContact OH-ND2 3.41Å; D431-N440 HydrophobicContact CB-CB 3.84Å; D431-N440 PolarHBondContact N-O 2.89Å; D431-N440 WeakPolarHBondContact O-CB 3.32Å; D431-N440 PolarHBondContact O-N 3.1Å; D431-N440 PolarHBondContact OD2-ND2 3.14Å; K438-N440 WeakPolarHBondContact CE-ND2 3.4Å; N440-L456 CarbonylContact C-O 3.57Å; N440-L456 VanDerWaalsContact CA-O 3.28Å; N440-L456 WeakPolarHBondContact CA-O 3.32Å; N440-R457 VanDerWaalsContact OD1-CB 3.26Å; N440-R457 WeakPolarHBondContact OD1-CB 3.35Å; N440-R457 WeakPolarHBondContact OD1-CD 3.32Å; N440-R457 WeakPolarHBondContact OD1-CG 3.09Å
441I92.1Very high81.4Confident1 Ų162.8 Ų62.81%0.00537%0.367CS..EExtended strand (participates in β ladder)trans-120.8117.9171.7-54.3168000107.1V428 L443 W455 L456 Y464 W467 M468V428-I441 HydrophobicContact CG1-CG2 3.84Å; I441-L443 HydrophobicContact CG2-CD2 3.92Å; I441-L443 HydrophobicContact CG2-CG 4.3Å; I441-W455 WeakPolarHBondContact O-CA 3.42Å; I441-L456 HydrophobicContact CB-CB 4.32Å; I441-L456 PolarHBondContact N-O 3.17Å; I441-L456 PolarHBondContact O-N 2.81Å; I441-Y464 HydrophobicContact CD1-CD2 4.17Å; I441-Y464 HydrophobicContact CD1-CE2 4.22Å; I441-Y464 HydrophobicContact CG1-CD2 3.87Å; I441-Y464 HydrophobicContact CG1-CE2 3.56Å; I441-W467 HydrophobicContact CD1-CB 4.01Å; I441-M468 HydrophobicContact CD1-CB 4.01Å; I441-M468 HydrophobicContact CG1-CB 4.47Å; I441-M468 HydrophobicContact CG1-SD 4.28Å; I441-M468 HydrophobicContact CG2-SD 4Å
442K90.9Very high81.2Confident67 Ų6761.7 Ų61.729%0.29136%0.361SS..EExtended strand (participates in β ladder)trans-96.3125.3176173.1168.6163158.70109.5T429 E453T429-K442 PolarHBondContact N-O 2.87Å; T429-K442 PolarHBondContact O-N 2.79Å; K442-E453 WeakPolarHBondContact CD-OE1 3.49Å; K442-E453 WeakPolarHBondContact CE-OE1 3.47Å; K442-E453 IonicContact NZ-OE1 3.05Å; K442-E453 PolarHBondContact NZ-OE1 3.07Å
443L90.3Very high81.4Confident0 Ų062 Ų620%036%0.36CS..EExtended strand (participates in β ladder)trans-116124.3-178.5-58.4174.9000109.8I404 M421 L423 V428 I441 I445 E453 I454 L456 C471I404-L443 HydrophobicContact CD1-CD1 4.3Å; M421-L443 HydrophobicContact SD-CD1 4.5Å; L423-L443 HydrophobicContact CD2-CD1 3.97Å; V428-L443 HydrophobicContact CB-CD2 4.29Å; V428-L443 HydrophobicContact CG1-CD2 3.95Å; V428-L443 HydrophobicContact CG2-CD2 3.82Å; I441-L443 HydrophobicContact CG2-CD2 3.92Å; I441-L443 HydrophobicContact CG2-CG 4.3Å; L443-I445 HydrophobicContact CB-CD1 4.39Å; L443-I445 HydrophobicContact CB-CG1 4.41Å; L443-E453 WeakPolarHBondContact O-CA 3.45Å; L443-I454 PolarHBondContact N-O 3.37Å; L443-I454 PolarHBondContact O-N 2.99Å; L443-L456 HydrophobicContact CD1-CD1 3.68Å; L443-L456 HydrophobicContact CD1-CG 4.04Å; L443-C471 HydrophobicContact CD2-CB 4.2Å
444L88.4Confident81.8Confident38 Ų3858.9 Ų58.920%0.19934%0.343CS..EExtended strand (participates in β ladder)trans-109.6102.8171.6-77.1155.3000108.6C426 E427 M451 E453C426-L444 VanDerWaalsContact CA-O 3.27Å; C426-L444 WeakPolarHBondContact CA-O 3.48Å; C426-L444 WeakPolarHBondContact CB-O 3.35Å; E427-L444 HydrophobicContact CB-CB 4.15Å; E427-L444 HydrophobicContact CB-CD1 4.47Å; E427-L444 PolarHBondContact N-O 3.49Å; E427-L444 PolarHBondContact O-N 2.81Å; L444-M451 HydrophobicContact CD2-CB 4.49Å; L444-E453 HydrophobicContact CD2-CB 4.14Å; L444-E453 HydrophobicContact CD2-CG 4.3Å
445I86.6Confident82.4Confident10 Ų1061.4 Ų61.45%0.05135%0.351CS..EExtended strand (participates in β ladder)trans-102122.8-172.4-61.3154.6000109.5M421 N422 L423 C426 L443 V447 N452 I454M421-I445 HydrophobicContact CB-CD1 3.89Å; M421-I445 HydrophobicContact CG-CD1 4.14Å; M421-I445 HydrophobicContact SD-CD1 3.79Å; N422-I445 WeakPolarHBondContact O-CG2 3.49Å; L423-I445 HydrophobicContact CD2-CD1 4Å; L423-I445 HydrophobicContact CD2-CG1 4.11Å; C426-I445 HydrophobicContact CB-CG1 4.03Å; L443-I445 HydrophobicContact CB-CD1 4.39Å; L443-I445 HydrophobicContact CB-CG1 4.41Å; I445-V447 PolarHBondContact O-N 3.47Å; I445-N452 PolarHBondContact N-O 3.05Å; I445-N452 PolarHBondContact O-N 2.9Å; I445-I454 HydrophobicContact CD1-CD1 4.02Å
446P81.3Confident83.3Confident62 Ų6256 Ų5640%0.40331%0.313SS..EExtended strand (participates in β ladder)trans-68.8127.5176.427.3-32.6000110.9M451P446-M451 HydrophobicContact CB-SD 3.96Å
447V78.3Confident84.2Confident73 Ų7357.7 Ų57.744%0.44231%0.306SS..EExtended strand (participates in β ladder)trans-128.8161.7175.2-65.40000110I445 E449 G450 N452I445-V447 PolarHBondContact O-N 3.47Å; V447-E449 PolarHBondContact O-N 2.85Å; V447-G450 CarbonylContact C-O 3.52Å; V447-G450 VanDerWaalsContact CG2-O 3.24Å; V447-G450 WeakPolarHBondContact CG2-O 3.44Å; V447-G450 PolarHBondContact N-O 3.33Å; V447-G450 PolarHBondContact O-N 2.84Å; V447-N452 HydrophobicContact CG1-CB 4.09Å; V447-N452 HydrophobicContact CG2-CB 4.08Å
448A73Confident84.9Confident114 Ų11450.9 Ų50.994%0.94227%0.274SS*.THydrogen-bonded Turntrans-57.5-23.8-174.900000114.6
449E64.8Low85Confident200 Ų20051.1 Ų51.194%0.93528%0.278SS*.THydrogen-bonded Turntrans-104.613.8179.4-63.4-173.8165.600114V447V447-E449 PolarHBondContact O-N 2.85Å
450G75.3Confident84.9Confident40 Ų4054.6 Ų54.641%0.41230%0.297SS..EExtended strand (participates in β ladder)trans134.5-146.617700000114V447V447-G450 CarbonylContact C-O 3.52Å; V447-G450 VanDerWaalsContact CG2-O 3.24Å; V447-G450 WeakPolarHBondContact CG2-O 3.44Å; V447-G450 PolarHBondContact N-O 3.33Å; V447-G450 PolarHBondContact O-N 2.84Å
451M77.4Confident84.6Confident133 Ų13356.8 Ų56.866%0.65531%0.307SS*.EExtended strand (participates in β ladder)trans-104.5130.7175-67.7-65.7-156.300110.3L444 P446L444-M451 HydrophobicContact CD2-CB 4.49Å; P446-M451 HydrophobicContact CB-SD 3.96Å
452N81.3Confident84.5Confident37 Ų3763.8 Ų63.820%0.19834%0.338CS..EExtended strand (participates in β ladder)trans-102.2116175.3-175.334.5000110.1K383 I445 V447K383-N452 WeakPolarHBondContact CE-OD1 3.34Å; K383-N452 PolarHBondContact NZ-ND2 3.02Å; K383-N452 PolarHBondContact NZ-OD1 3.38Å; K383-N452 VanDerWaalsContact NZ-OD1 3.14Å; I445-N452 PolarHBondContact N-O 3.05Å; I445-N452 PolarHBondContact O-N 2.9Å; V447-N452 HydrophobicContact CG1-CB 4.09Å; V447-N452 HydrophobicContact CG2-CB 4.08Å
453E87.2Confident84.5Confident50 Ų5061.5 Ų61.523%0.23433%0.328CS..EExtended strand (participates in β ladder)trans-91.7128.8-179.1-173.9177.5-167.500111.3P384 K442 L443 L444 W455P384-E453 WeakPolarHBondContact CD-O 3.33Å; P384-E453 HydrophobicContact CG-CB 4.24Å; P384-E453 HydrophobicContact CG-CG 4.29Å; K442-E453 WeakPolarHBondContact CD-OE1 3.49Å; K442-E453 WeakPolarHBondContact CE-OE1 3.47Å; K442-E453 IonicContact NZ-OE1 3.05Å; K442-E453 PolarHBondContact NZ-OE1 3.07Å; L443-E453 WeakPolarHBondContact O-CA 3.45Å; L444-E453 HydrophobicContact CD2-CB 4.14Å; L444-E453 HydrophobicContact CD2-CG 4.3Å; E453-W455 VanDerWaalsContact CD-NE1 3.34Å; E453-W455 PolarHBondContact OE1-NE1 2.74Å
454I88.2Confident84.6Confident8 Ų861.9 Ų61.94%0.04133%0.33CS..EExtended strand (participates in β ladder)trans-137134.4178.2-61-178.6000109.3V381 M421 L443 I445 L456V381-I454 HydrophobicContact CG1-CG2 3.77Å; M421-I454 HydrophobicContact CE-CD1 3.52Å; M421-I454 HydrophobicContact CE-CG2 4.27Å; M421-I454 HydrophobicContact SD-CD1 3.63Å; M421-I454 HydrophobicContact SD-CG2 4.34Å; L443-I454 PolarHBondContact N-O 3.37Å; L443-I454 PolarHBondContact O-N 2.99Å; I445-I454 HydrophobicContact CD1-CD1 4.02Å; I454-L456 HydrophobicContact CG2-CD2 4.24Å
455W90Very high84.7Confident75 Ų7560.1 Ų60.128%0.28432%0.32SS..EExtended strand (participates in β ladder)trans-113.1126.8177.9-58.3-1.1000109.7V381 F382 Y392 I441 E453V381-W455 WeakPolarHBondContact CA-O 3.49Å; F382-W455 HydrophobicContact CB-CB 4.29Å; F382-W455 HydrophobicContact CD1-CB 4.38Å; F382-W455 AromaticContact CD1-CD2 3.91Å; F382-W455 HydrophobicContact CD1-CD2 3.91Å; F382-W455 AromaticContact CD1-CE3 3.7Å; F382-W455 HydrophobicContact CD1-CE3 3.7Å; F382-W455 HydrophobicContact CD1-CG 4.22Å; F382-W455 HydrophobicContact CD1-CZ3 4.33Å; F382-W455 HydrophobicContact CE1-CD2 4.4Å; F382-W455 HydrophobicContact CE1-CE3 4.1Å; F382-W455 HydrophobicContact CE1-CZ3 4.29Å; F382-W455 PolarHBondContact N-O 3.27Å; F382-W455 PolarHBondContact O-N 2.89Å; Y392-W455 HydrophobicContact CE1-CB 4.46Å; I441-W455 WeakPolarHBondContact O-CA 3.42Å; E453-W455 VanDerWaalsContact CD-NE1 3.34Å; E453-W455 PolarHBondContact OE1-NE1 2.74Å
456L91.1Very high84.9Confident1 Ų162.7 Ų62.71%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-104.4133.8173.4-54.1180000108.6I379 V381 I404 N440 I441 L443 I454I379-L456 HydrophobicContact CG2-CB 3.97Å; I379-L456 HydrophobicContact CG2-CD2 4.19Å; V381-L456 HydrophobicContact CB-CD2 4.41Å; V381-L456 HydrophobicContact CG1-CD2 4.12Å; V381-L456 HydrophobicContact CG2-CD2 3.79Å; I404-L456 HydrophobicContact CD1-CD1 3.77Å; N440-L456 CarbonylContact C-O 3.57Å; N440-L456 VanDerWaalsContact CA-O 3.28Å; N440-L456 WeakPolarHBondContact CA-O 3.32Å; I441-L456 HydrophobicContact CB-CB 4.32Å; I441-L456 PolarHBondContact N-O 3.17Å; I441-L456 PolarHBondContact O-N 2.81Å; L443-L456 HydrophobicContact CD1-CD1 3.68Å; L443-L456 HydrophobicContact CD1-CG 4.04Å; I454-L456 HydrophobicContact CG2-CD2 4.24Å
457R90.9Very high85.5Confident81 Ų8159.8 Ų59.831%0.30631%0.313SS..EExtended strand (participates in β ladder)trans-119.5118.6174.2177.5171.2-174.3175.55.5110K380 Y392 F439 N440K380-R457 HydrophobicContact CB-CB 4.03Å; K380-R457 PolarHBondContact N-O 2.81Å; K380-R457 PolarHBondContact O-N 3.41Å; Y392-R457 HydrophobicContact CD1-CB 4.17Å; Y392-R457 HydrophobicContact CE1-CB 3.83Å; F439-R457 WeakPolarHBondContact O-CA 3.41Å; N440-R457 VanDerWaalsContact OD1-CB 3.26Å; N440-R457 WeakPolarHBondContact OD1-CB 3.35Å; N440-R457 WeakPolarHBondContact OD1-CD 3.32Å; N440-R457 WeakPolarHBondContact OD1-CG 3.09Å
458C91.9Very high86.2Confident1 Ų156.3 Ų56.31%0.00729%0.292CS..EExtended strand (participates in β ladder)trans-88157.5174.5-57.70000110.2F439 Q463F439-C458 HydrophobicContact CB-CB 4.05Å; F439-C458 PolarHBondContact O-N 3.45Å; C458-Q463 HydrophobicContact CB-CB 4.47Å; C458-Q463 HydrophobicContact CB-CG 4.29Å
459D86.8Confident87.1Confident73 Ų7350.9 Ų50.939%0.3925%0.247SC..SBendtrans-93.7-26.3-177.6-71-33000112.8K380K380-D459 IonicContact NZ-OD1 3.31Å; K380-D459 PolarHBondContact NZ-OD1 3.46Å
460N86.8Confident88.3Confident78 Ų7841.3 Ų41.342%0.41720%0.202SC..SBendtrans-142.5164.3-179.56762.5000113.2K462 Q463 Y464N460-K462 VanDerWaalsContact C-N 3.35Å; N460-K462 PolarHBondContact O-N 3.23Å; N460-K462 PolarHBondContact OD1-N 2.7Å; N460-Q463 PolarHBondContact O-N 2.96Å; N460-Q463 VanDerWaalsContact OD1-CB 3.25Å; N460-Q463 WeakPolarHBondContact OD1-CB 3.35Å; N460-Q463 PolarHBondContact OD1-N 3.05Å; N460-Y464 WeakPolarHBondContact O-CB 3.38Å; N460-Y464 PolarHBondContact O-N 3.21Å
461E85.4Confident89.1Confident51 Ų5139.4 Ų39.424%0.23818%0.183CC..Hα-helixtrans-61-39.4-177.2-72165.4-150.900113.6F439 Y464 A465 L496 H500F439-E461 HydrophobicContact CD1-CG 4.4Å; F439-E461 HydrophobicContact CE1-CB 4.46Å; F439-E461 HydrophobicContact CE1-CG 3.42Å; F439-E461 VanDerWaalsContact CE1-CG 3.42Å; F439-E461 HydrophobicContact CE2-CG 4.3Å; F439-E461 HydrophobicContact CZ-CG 3.37Å; E461-Y464 PolarHBondContact O-N 3.45Å; E461-A465 WeakPolarHBondContact O-CB 3.2Å; E461-A465 PolarHBondContact O-N 3Å; E461-L496 HydrophobicContact CB-CD1 4.04Å; E461-L496 HydrophobicContact CG-CD1 4.28Å; E461-H500 IonicContact OE1-CD2 2.96Å; E461-H500 IonicContact OE1-CE1 3.8Å; E461-H500 IonicContact OE1-NE2 2.87Å; E461-H500 PolarHBondContact OE1-NE2 2.96Å; E461-H500 IonicContact OE2-CD2 3.84Å; E461-H500 IonicContact OE2-NE2 2.73Å; E461-H500 PolarHBondContact OE2-NE2 3Å
462K88.4Confident89.6Confident147 Ų14737 Ų3764%0.63917%0.167SC*.Hα-helixtrans-65.3-49.3178.7-66.6-174.8-179.1-178.70110.3N460 Y464 A465 H466 L493N460-K462 VanDerWaalsContact C-N 3.35Å; N460-K462 PolarHBondContact O-N 3.23Å; N460-K462 PolarHBondContact OD1-N 2.7Å; K462-Y464 VanDerWaalsContact C-N 3.34Å; K462-Y464 PolarHBondContact O-N 3.16Å; K462-A465 PolarHBondContact O-N 2.58Å; K462-H466 PolarHBondContact O-N 3.48Å; K462-H466 VanDerWaalsContact O-N 3.15Å; K462-H466 PolarHBondContact O-ND1 3.44Å; K462-L493 HydrophobicContact CG-CD2 4.29Å
463Q91Very high90Very high19 Ų1935.8 Ų35.89%0.08916%0.16CC..Hα-helixtrans-59.4-46.6176.7-171.1-173.951.200110.3Y378 C458 N460 A465 H466 W467Y378-Q463 PolarHBondContact O-NE2 3.05Å; C458-Q463 HydrophobicContact CB-CB 4.47Å; C458-Q463 HydrophobicContact CB-CG 4.29Å; N460-Q463 PolarHBondContact O-N 2.96Å; N460-Q463 VanDerWaalsContact OD1-CB 3.25Å; N460-Q463 WeakPolarHBondContact OD1-CB 3.35Å; N460-Q463 PolarHBondContact OD1-N 3.05Å; Q463-A465 PolarHBondContact O-N 3.45Å; Q463-H466 PolarHBondContact O-N 3.22Å; Q463-W467 WeakPolarHBondContact O-CB 3.47Å; Q463-W467 PolarHBondContact O-N 3.46Å
464Y92.8Very high90.1Very high9 Ų933.4 Ų33.44%0.03515%0.149CC..Hα-helixtrans-57.9-45.4175.8172.2-94.8000112.7P430 V432 F439 I441 N460 E461 K462 H466 W467 M468 I492 L496P430-Y464 WeakPolarHBondContact CB-OH 3.36Å; V432-Y464 HydrophobicContact CG2-CD1 4.36Å; V432-Y464 HydrophobicContact CG2-CD2 4.2Å; V432-Y464 HydrophobicContact CG2-CE1 3.64Å; V432-Y464 HydrophobicContact CG2-CE2 3.44Å; V432-Y464 VanDerWaalsContact CG2-CE2 3.44Å; V432-Y464 WeakPolarHBondContact CG2-OH 3.34Å; F439-Y464 HydrophobicContact CB-CD2 3.83Å; F439-Y464 HydrophobicContact CB-CG 3.98Å; F439-Y464 HydrophobicContact CD1-CG 4.21Å; F439-Y464 HydrophobicContact CG-CG 4.46Å; I441-Y464 HydrophobicContact CD1-CD2 4.17Å; I441-Y464 HydrophobicContact CD1-CE2 4.22Å; I441-Y464 HydrophobicContact CG1-CD2 3.87Å; I441-Y464 HydrophobicContact CG1-CE2 3.56Å; N460-Y464 WeakPolarHBondContact O-CB 3.38Å; N460-Y464 PolarHBondContact O-N 3.21Å; E461-Y464 PolarHBondContact O-N 3.45Å; K462-Y464 VanDerWaalsContact C-N 3.34Å; K462-Y464 PolarHBondContact O-N 3.16Å; Y464-H466 PolarHBondContact O-N 3.47Å; Y464-W467 PolarHBondContact O-N 2.7Å; Y464-M468 HydrophobicContact CE1-CB 4.22Å; Y464-M468 HydrophobicContact CE1-CG 4.36Å; Y464-M468 HydrophobicContact CE2-CB 4.24Å; Y464-M468 HydrophobicContact CE2-CG 4.47Å; Y464-M468 WeakPolarHBondContact O-CB 3.37Å; Y464-M468 PolarHBondContact O-N 3.27Å; Y464-I492 HydrophobicContact CD1-CG2 4.28Å; Y464-I492 HydrophobicContact CE1-CG2 3.98Å; Y464-L496 HydrophobicContact CD1-CD1 3.96Å; Y464-L496 HydrophobicContact CE1-CD1 4.42Å
465A90.9Very high90.1Very high0 Ų034.3 Ų34.30%016%0.155CC..Hα-helixtrans-61.3-44.5-179.200000112.6E461 K462 Q463 A469 V489 I492 L493E461-A465 WeakPolarHBondContact O-CB 3.2Å; E461-A465 PolarHBondContact O-N 3Å; K462-A465 PolarHBondContact O-N 2.58Å; Q463-A465 PolarHBondContact O-N 3.45Å; A465-A469 VanDerWaalsContact O-CB 3.26Å; A465-A469 WeakPolarHBondContact O-CB 3.42Å; A465-A469 PolarHBondContact O-N 3.14Å; A465-V489 HydrophobicContact CB-CG1 4.36Å; A465-I492 HydrophobicContact CB-CB 4.12Å; A465-I492 HydrophobicContact CB-CG2 3.76Å; A465-L493 HydrophobicContact CB-CD2 3.71Å; A465-L493 HydrophobicContact CB-CG 3.7Å
466H91.2Very high89.9Confident65 Ų6538.6 Ų38.630%0.30118%0.176SC..Hα-helixtrans-65.3-47.6177.9-68.877.9000111.5L375 K462 Q463 Y464 A470 Y485L375-H466 HydrophobicContact CD1-CB 4.35Å; L375-H466 HydrophobicContact CD2-CB 4.37Å; K462-H466 PolarHBondContact O-N 3.48Å; K462-H466 VanDerWaalsContact O-N 3.15Å; K462-H466 PolarHBondContact O-ND1 3.44Å; Q463-H466 PolarHBondContact O-N 3.22Å; Y464-H466 PolarHBondContact O-N 3.47Å; H466-A470 WeakPolarHBondContact O-CB 2.92Å; H466-A470 PolarHBondContact O-N 3.09Å; H466-Y485 PolarHBondContact O-OH 2.93Å
467W93.4Very high89.5Confident0 Ų040.1 Ų40.10%019%0.192CC..Hα-helixtrans-69.4-35.9-178.7-79.782.1000112.9L375 D377 I379 C397 F399 I404 I441 Q463 Y464 C471L375-W467 HydrophobicContact CB-CZ2 4.16Å; D377-W467 HydrophobicContact CB-CZ2 3.94Å; D377-W467 PolarHBondContact OD2-NE1 3.25Å; I379-W467 HydrophobicContact CD1-CD2 3.24Å; I379-W467 HydrophobicContact CD1-CE3 3.44Å; I379-W467 VanDerWaalsContact CD1-CE3 3.44Å; I379-W467 HydrophobicContact CD1-CG 3.86Å; I379-W467 HydrophobicContact CD1-CH2 3.7Å; I379-W467 HydrophobicContact CD1-CZ2 3.5Å; I379-W467 HydrophobicContact CD1-CZ3 3.66Å; I379-W467 HydrophobicContact CG1-CZ2 4.44Å; C397-W467 HydrophobicContact CB-CH2 3.59Å; C397-W467 HydrophobicContact CB-CZ2 4.32Å; C397-W467 HydrophobicContact CB-CZ3 4.2Å; C397-W467 WeakPolarHBondContact O-CH2 3.25Å; F399-W467 HydrophobicContact CB-CH2 4.08Å; F399-W467 HydrophobicContact CB-CZ3 4.04Å; F399-W467 HydrophobicContact CD2-CE3 4.33Å; F399-W467 HydrophobicContact CD2-CZ3 4.16Å; I404-W467 HydrophobicContact CD1-CZ3 4.19Å; I404-W467 HydrophobicContact CG1-CZ3 4.37Å; I404-W467 HydrophobicContact CG2-CZ3 4.32Å; I441-W467 HydrophobicContact CD1-CB 4.01Å; Q463-W467 WeakPolarHBondContact O-CB 3.47Å; Q463-W467 PolarHBondContact O-N 3.46Å; Y464-W467 PolarHBondContact O-N 2.7Å; W467-C471 WeakPolarHBondContact O-CB 3.44Å; W467-C471 PolarHBondContact O-N 3.21Å; W467-C471 PolarHBondContact O-SG 2.66Å
468M92.8Very high89.3Confident0 Ų040.8 Ų40.80%020%0.197CC..Hα-helixtrans-70.3-44.1177.1-177.751.9142.500111.9V428 P430 I441 Y464 A470 C471 R472 I492V428-M468 HydrophobicContact CG1-CE 4.13Å; V428-M468 HydrophobicContact CG1-SD 3.58Å; V428-M468 VanDerWaalsContact CG1-SD 3.58Å; P430-M468 HydrophobicContact CB-CE 3.5Å; P430-M468 VanDerWaalsContact CB-CE 3.5Å; P430-M468 HydrophobicContact CG-CE 4.02Å; I441-M468 HydrophobicContact CD1-CB 4.01Å; I441-M468 HydrophobicContact CG1-CB 4.47Å; I441-M468 HydrophobicContact CG1-SD 4.28Å; I441-M468 HydrophobicContact CG2-SD 4Å; Y464-M468 HydrophobicContact CE1-CB 4.22Å; Y464-M468 HydrophobicContact CE1-CG 4.36Å; Y464-M468 HydrophobicContact CE2-CB 4.24Å; Y464-M468 HydrophobicContact CE2-CG 4.47Å; Y464-M468 WeakPolarHBondContact O-CB 3.37Å; Y464-M468 PolarHBondContact O-N 3.27Å; M468-A470 VanDerWaalsContact C-N 3.33Å; M468-A470 PolarHBondContact O-N 3.4Å; M468-C471 PolarHBondContact O-N 2.97Å; M468-R472 WeakPolarHBondContact O-CB 3.47Å; M468-R472 WeakPolarHBondContact O-CG 3.34Å; M468-R472 PolarHBondContact O-N 2.97Å; M468-R472 HydrophobicContact SD-CG 4.17Å; M468-I492 HydrophobicContact CB-CD1 4.16Å; M468-I492 HydrophobicContact CG-CD1 4.02Å
469A91.4Very high89Confident0 Ų043.1 Ų43.10%021%0.211CC..Hα-helixtrans-58.9-45.6173.600000111.1A465 C471 R472 L473 Y485 E488 V489 I492A465-A469 VanDerWaalsContact O-CB 3.26Å; A465-A469 WeakPolarHBondContact O-CB 3.42Å; A465-A469 PolarHBondContact O-N 3.14Å; A469-C471 PolarHBondContact O-N 3.2Å; A469-R472 PolarHBondContact O-N 3.46Å; A469-L473 WeakPolarHBondContact O-CG 3.48Å; A469-L473 PolarHBondContact O-N 3.38Å; A469-Y485 HydrophobicContact CB-CD2 4.04Å; A469-Y485 HydrophobicContact CB-CE2 3.82Å; A469-E488 HydrophobicContact CB-CB 4.09Å; A469-E488 HydrophobicContact CB-CG 3.79Å; A469-V489 HydrophobicContact CB-CG2 3.52Å; A469-I492 HydrophobicContact CB-CD1 4.01Å
470A91.1Very high88.9Confident0 Ų040.2 Ų40.20%020%0.196CC..Hα-helixtrans-60.9-46177.900000112.1L375 F399 H466 M468 L473 A474 M480 Y485L375-A470 HydrophobicContact CD1-CB 3.86Å; F399-A470 HydrophobicContact CD1-CB 4.24Å; F399-A470 HydrophobicContact CD2-CB 4.09Å; F399-A470 HydrophobicContact CE1-CB 4Å; F399-A470 HydrophobicContact CE2-CB 3.84Å; F399-A470 HydrophobicContact CG-CB 4.3Å; F399-A470 HydrophobicContact CZ-CB 3.79Å; F399-A470 WeakPolarHBondContact CZ-O 3.4Å; H466-A470 WeakPolarHBondContact O-CB 2.92Å; H466-A470 PolarHBondContact O-N 3.09Å; M468-A470 VanDerWaalsContact C-N 3.33Å; M468-A470 PolarHBondContact O-N 3.4Å; A470-L473 PolarHBondContact O-N 2.73Å; A470-A474 WeakPolarHBondContact O-CB 3.24Å; A470-A474 PolarHBondContact O-N 3.1Å; A470-M480 HydrophobicContact CB-CG 3.95Å; A470-M480 HydrophobicContact CB-SD 3.63Å; A470-Y485 HydrophobicContact CB-CE2 4.07Å
471C90.8Very high88.5Confident0 Ų039.9 Ų39.90%020%0.204CC..Hα-helixtrans-63.8-41.9177.5-67.50000112.5L423 V428 L443 W467 M468 A469 A474 S475L423-C471 HydrophobicContact CD1-CB 4.33Å; V428-C471 HydrophobicContact CG1-CB 3.94Å; V428-C471 HydrophobicContact CG2-CB 4.24Å; L443-C471 HydrophobicContact CD2-CB 4.2Å; W467-C471 WeakPolarHBondContact O-CB 3.44Å; W467-C471 PolarHBondContact O-N 3.21Å; W467-C471 PolarHBondContact O-SG 2.66Å; M468-C471 PolarHBondContact O-N 2.97Å; A469-C471 PolarHBondContact O-N 3.2Å; C471-A474 PolarHBondContact O-N 3.46Å; C471-S475 PolarHBondContact O-N 2.9Å
472R89.3Confident88.4Confident83 Ų8339.8 Ų39.831%0.31321%0.205SC..Hα-helixtrans-65.3-34.9177.6-79.1-178.9175.1-177.50.5113.4V428 M468 A469 S475 E488V428-R472 HydrophobicContact CG1-CG 4.36Å; M468-R472 WeakPolarHBondContact O-CB 3.47Å; M468-R472 WeakPolarHBondContact O-CG 3.34Å; M468-R472 PolarHBondContact O-N 2.97Å; M468-R472 HydrophobicContact SD-CG 4.17Å; A469-R472 PolarHBondContact O-N 3.46Å; R472-S475 PolarHBondContact O-OG 2.96Å; R472-E488 VanDerWaalsContact CD-OE1 3.31Å; R472-E488 WeakPolarHBondContact CD-OE1 3.2Å; R472-E488 IonicContact CZ-OE1 3.61Å; R472-E488 IonicContact NH1-OE1 3.21Å; R472-E488 PolarHBondContact NH1-OE1 3.15Å
473L88.8Confident87.9Confident11 Ų1138.2 Ų38.26%0.05821%0.213CC..Hα-helixtrans-74.5-43.2175.2-72.8-174.9000111.4A469 A470 S475 K476 G477 K478 Y485A469-L473 WeakPolarHBondContact O-CG 3.48Å; A469-L473 PolarHBondContact O-N 3.38Å; A470-L473 PolarHBondContact O-N 2.73Å; L473-S475 VanDerWaalsContact C-N 3.31Å; L473-S475 PolarHBondContact O-N 3.34Å; L473-K476 CarbonylContact O-C 3.47Å; L473-K476 PolarHBondContact O-N 3.4Å; L473-K476 VanDerWaalsContact O-N 3.1Å; L473-G477 PolarHBondContact O-N 2.88Å; L473-K478 CarbonylContact C-O 3.45Å; L473-K478 VanDerWaalsContact C-O 3.26Å; L473-K478 HydrophobicContact CB-CB 4.15Å; L473-K478 HydrophobicContact CD2-CB 4.37Å; L473-K478 HydrophobicContact CD2-CD 4.24Å; L473-K478 PolarHBondContact O-N 3.32Å; L473-Y485 HydrophobicContact CD1-CD2 3.93Å; L473-Y485 HydrophobicContact CD1-CG 4.28Å
474A88.5Confident87.4Confident0 Ų039 Ų390%022%0.22CC..Hα-helixtrans-66.2-30.9179.400000113.4F399 T402 L423 A470 C471 K476 G477 K478F399-A474 HydrophobicContact CE1-CB 4.35Å; F399-A474 HydrophobicContact CZ-CB 3.62Å; T402-A474 HydrophobicContact CG2-CB 4.08Å; L423-A474 HydrophobicContact CB-CB 3.94Å; L423-A474 HydrophobicContact CD1-CB 4.24Å; A470-A474 WeakPolarHBondContact O-CB 3.24Å; A470-A474 PolarHBondContact O-N 3.1Å; C471-A474 PolarHBondContact O-N 3.46Å; A474-K476 VanDerWaalsContact C-N 3.25Å; A474-K476 PolarHBondContact O-N 3.13Å; A474-G477 WeakPolarHBondContact O-CA 3.44Å; A474-G477 PolarHBondContact O-N 3.4Å; A474-K478 WeakPolarHBondContact CA-O 3.31Å; A474-K478 PolarHBondContact N-O 3.38Å
475S89.1Confident87Confident26 Ų2639.4 Ų39.418%0.18222%0.222CC..Hα-helixtrans-61.1-35.9172.1680000112.9L423 G425 C426 C471 R472 L473 G477L423-S475 VanDerWaalsContact O-CA 3.3Å; L423-S475 WeakPolarHBondContact O-CA 3.26Å; G425-S475 PolarHBondContact N-O 3.2Å; C426-S475 WeakPolarHBondContact O-CB 3.24Å; C471-S475 PolarHBondContact O-N 2.9Å; R472-S475 PolarHBondContact O-OG 2.96Å; L473-S475 VanDerWaalsContact C-N 3.31Å; L473-S475 PolarHBondContact O-N 3.34Å; S475-G477 VanDerWaalsContact C-N 3.25Å; S475-G477 PolarHBondContact O-N 3.15Å
476K86.4Confident86.6Confident166 Ų16644.7 Ų44.772%0.72225%0.25SC*.THydrogen-bonded Turntrans-82.83173.6-61.4176.7-177.4175.50113.3L473 A474 K478L473-K476 CarbonylContact O-C 3.47Å; L473-K476 PolarHBondContact O-N 3.4Å; L473-K476 VanDerWaalsContact O-N 3.1Å; A474-K476 VanDerWaalsContact C-N 3.25Å; A474-K476 PolarHBondContact O-N 3.13Å; K476-K478 VanDerWaalsContact C-N 3.32Å
477G82.8Confident86.2Confident33 Ų3346.7 Ų46.734%0.3426%0.262SS..THydrogen-bonded Turntrans78.110.1-179.500000115.3L473 A474 S475L473-G477 PolarHBondContact O-N 2.88Å; A474-G477 WeakPolarHBondContact O-CA 3.44Å; A474-G477 PolarHBondContact O-N 3.4Å; S475-G477 VanDerWaalsContact C-N 3.25Å; S475-G477 PolarHBondContact O-N 3.15Å
478K84.8Confident85.8Confident94 Ų9449.1 Ų49.141%0.40927%0.274SS..  trans-92.5153.6176.5-61.6-173.4170.2-1580111.2L473 A474 K476 D482L473-K478 CarbonylContact C-O 3.45Å; L473-K478 VanDerWaalsContact C-O 3.26Å; L473-K478 HydrophobicContact CB-CB 4.15Å; L473-K478 HydrophobicContact CD2-CB 4.37Å; L473-K478 HydrophobicContact CD2-CD 4.24Å; L473-K478 PolarHBondContact O-N 3.32Å; A474-K478 WeakPolarHBondContact CA-O 3.31Å; A474-K478 PolarHBondContact N-O 3.38Å; K476-K478 VanDerWaalsContact C-N 3.32Å; K478-D482 IonicContact NZ-OD2 3.65Å
479T86.2Confident85.5Confident50 Ų5049.3 Ų49.331%0.30728%0.275SS..  trans-103.4169.2179.2700000111.2T402 A481 D482T402-T479 HydrophobicContact CG2-CG2 4.38Å; T479-A481 PolarHBondContact O-N 3.01Å; T479-A481 PolarHBondContact OG1-N 3.31Å; T479-D482 VanDerWaalsContact O-CB 3.31Å; T479-D482 WeakPolarHBondContact O-CB 3.5Å; T479-D482 PolarHBondContact O-N 3.24Å; T479-D482 VanDerWaalsContact O-N 3.14Å
480M84.5Confident85Confident13 Ų1354.7 Ų54.76%0.06430%0.3CS..THydrogen-bonded Turntrans-68.2-7.6175.2-60.6-179.2-60.900113.9P373 L375 F399 A470 D482 Y485P373-M480 HydrophobicContact CB-CB 4.41Å; P373-M480 HydrophobicContact CG-CB 4.13Å; P373-M480 WeakPolarHBondContact O-CE 3.39Å; L375-M480 HydrophobicContact CD1-CE 4.39Å; L375-M480 HydrophobicContact CD1-SD 3.37Å; L375-M480 WeakPolarHBondContact CD1-SD 3.46Å; L375-M480 HydrophobicContact CG-CE 4Å; L375-M480 HydrophobicContact CG-SD 3.53Å; L375-M480 VanDerWaalsContact CG-SD 3.53Å; F399-M480 HydrophobicContact CB-CE 4.49Å; F399-M480 HydrophobicContact CD1-CE 3.65Å; F399-M480 HydrophobicContact CD1-CG 4.48Å; F399-M480 HydrophobicContact CD1-SD 3.84Å; F399-M480 HydrophobicContact CE1-CE 4.37Å; F399-M480 HydrophobicContact CE1-CG 4.35Å; F399-M480 HydrophobicContact CE1-SD 4.25Å; F399-M480 HydrophobicContact CG-CE 4.44Å; F399-M480 HydrophobicContact CG-SD 4.47Å; F399-M480 WeakPolarHBondContact O-CE 3.38Å; A470-M480 HydrophobicContact CB-CG 3.95Å; A470-M480 HydrophobicContact CB-SD 3.63Å; M480-D482 VanDerWaalsContact C-N 3.28Å; M480-Y485 HydrophobicContact CB-CD1 4.18Å; M480-Y485 HydrophobicContact CB-CD2 4.22Å; M480-Y485 HydrophobicContact CB-CE1 4.35Å; M480-Y485 HydrophobicContact CB-CE2 4.39Å; M480-Y485 HydrophobicContact CB-CG 4.11Å; M480-Y485 HydrophobicContact CG-CD2 4.01Å; M480-Y485 HydrophobicContact CG-CE2 3.89Å; M480-Y485 HydrophobicContact CG-CG 4.41Å; M480-Y485 HydrophobicContact SD-CE2 4.2Å
481A79.4Confident84.6Confident71 Ų7158.5 Ų58.559%0.58732%0.321SS*.THydrogen-bonded Turntrans-81.4-7.6172.800000112.8P373 T479P373-A481 HydrophobicContact CG-CB 3.91Å; T479-A481 PolarHBondContact O-N 3.01Å; T479-A481 PolarHBondContact OG1-N 3.31Å
482D81.8Confident84.3Confident48 Ų4859.1 Ų59.126%0.25732%0.323SS..SBendtrans-69.8138.2174.4-171.2-73.3000110K478 T479 M480 S484 Y485K478-D482 IonicContact NZ-OD2 3.65Å; T479-D482 VanDerWaalsContact O-CB 3.31Å; T479-D482 WeakPolarHBondContact O-CB 3.5Å; T479-D482 PolarHBondContact O-N 3.24Å; T479-D482 VanDerWaalsContact O-N 3.14Å; M480-D482 VanDerWaalsContact C-N 3.28Å; D482-S484 PolarHBondContact O-N 3Å; D482-S484 VanDerWaalsContact OD1-CB 3.24Å; D482-S484 WeakPolarHBondContact OD1-CB 3.34Å; D482-S484 PolarHBondContact OD1-N 2.95Å; D482-S484 PolarHBondContact OD1-OG 3.48Å; D482-Y485 WeakPolarHBondContact O-CB 3.44Å; D482-Y485 PolarHBondContact O-N 3.35Å
483S78Confident84.1Confident115 Ų11556.2 Ų56.280%0.80431%0.314SS*.THydrogen-bonded Turntrans-59-22.5-178.353.60000113.2Y485S483-Y485 VanDerWaalsContact C-N 3.32Å; S483-Y485 PolarHBondContact O-N 3.01Å
484S82Confident83.7Confident35 Ų3558.3 Ų58.325%0.24533%0.33CS..Hα-helixtrans-74.7-13.8176.465.10000114.7D482 L487 E488D482-S484 PolarHBondContact O-N 3Å; D482-S484 VanDerWaalsContact OD1-CB 3.24Å; D482-S484 WeakPolarHBondContact OD1-CB 3.34Å; D482-S484 PolarHBondContact OD1-N 2.95Å; D482-S484 PolarHBondContact OD1-OG 3.48Å; S484-L487 PolarHBondContact O-N 3.36Å; S484-E488 WeakPolarHBondContact O-CB 3.22Å; S484-E488 PolarHBondContact O-N 3.47Å
485Y84.8Confident83.2Confident17 Ų1764.1 Ų64.17%0.06736%0.355CS..Hα-helixtrans-61.8-51.5-178.4174.1-110.1000112.6H466 A469 A470 L473 M480 D482 S483 L487 E488 V489H466-Y485 PolarHBondContact O-OH 2.93Å; A469-Y485 HydrophobicContact CB-CD2 4.04Å; A469-Y485 HydrophobicContact CB-CE2 3.82Å; A470-Y485 HydrophobicContact CB-CE2 4.07Å; L473-Y485 HydrophobicContact CD1-CD2 3.93Å; L473-Y485 HydrophobicContact CD1-CG 4.28Å; M480-Y485 HydrophobicContact CB-CD1 4.18Å; M480-Y485 HydrophobicContact CB-CD2 4.22Å; M480-Y485 HydrophobicContact CB-CE1 4.35Å; M480-Y485 HydrophobicContact CB-CE2 4.39Å; M480-Y485 HydrophobicContact CB-CG 4.11Å; M480-Y485 HydrophobicContact CG-CD2 4.01Å; M480-Y485 HydrophobicContact CG-CE2 3.89Å; M480-Y485 HydrophobicContact CG-CG 4.41Å; M480-Y485 HydrophobicContact SD-CE2 4.2Å; D482-Y485 WeakPolarHBondContact O-CB 3.44Å; D482-Y485 PolarHBondContact O-N 3.35Å; S483-Y485 VanDerWaalsContact C-N 3.32Å; S483-Y485 PolarHBondContact O-N 3.01Å; Y485-L487 VanDerWaalsContact C-N 3.27Å; Y485-L487 PolarHBondContact O-N 3.48Å; Y485-E488 PolarHBondContact O-N 2.96Å; Y485-V489 HydrophobicContact CD2-CG2 4.3Å; Y485-V489 HydrophobicContact CE1-CG2 4.22Å; Y485-V489 HydrophobicContact CE2-CG2 3.85Å; Y485-V489 WeakPolarHBondContact O-CG2 3.37Å; Y485-V489 PolarHBondContact O-N 2.87Å
486N81.9Confident82.7Confident111 Ų11163.1 Ų63.159%0.59435%0.348SS*.Hα-helixtrans-64.3-35.5-180-69.6-44.9000111.8V489 Q490N486-V489 PolarHBondContact O-N 3.24Å; N486-Q490 WeakPolarHBondContact O-CG 3.37Å; N486-Q490 PolarHBondContact O-N 3.24Å
487L82.1Confident82.1Confident108 Ų10861.3 Ų61.357%0.56534%0.34SS*.Hα-helixtrans-65.3-44.9175.7-176.462000111.5S484 Y485 V489 Q490 N491S484-L487 PolarHBondContact O-N 3.36Å; Y485-L487 VanDerWaalsContact C-N 3.27Å; Y485-L487 PolarHBondContact O-N 3.48Å; L487-V489 VanDerWaalsContact C-N 3.34Å; L487-V489 PolarHBondContact O-N 2.88Å; L487-Q490 PolarHBondContact O-N 2.86Å; L487-N491 WeakPolarHBondContact O-CB 3.37Å; L487-N491 PolarHBondContact O-N 2.81Å; L487-N491 PolarHBondContact O-ND2 2.94Å
488E84.4Confident81.1Confident50 Ų5066.5 Ų66.523%0.23436%0.357CS..Hα-helixtrans-63-39.7176.6-172.272.2-174.100111.4A469 R472 S484 Y485 N491 I492A469-E488 HydrophobicContact CB-CB 4.09Å; A469-E488 HydrophobicContact CB-CG 3.79Å; R472-E488 VanDerWaalsContact CD-OE1 3.31Å; R472-E488 WeakPolarHBondContact CD-OE1 3.2Å; R472-E488 IonicContact CZ-OE1 3.61Å; R472-E488 IonicContact NH1-OE1 3.21Å; R472-E488 PolarHBondContact NH1-OE1 3.15Å; S484-E488 WeakPolarHBondContact O-CB 3.22Å; S484-E488 PolarHBondContact O-N 3.47Å; Y485-E488 PolarHBondContact O-N 2.96Å; E488-N491 PolarHBondContact O-N 3.01Å; E488-I492 HydrophobicContact CG-CD1 4.09Å; E488-I492 VanDerWaalsContact O-CG1 3.24Å; E488-I492 WeakPolarHBondContact O-CG1 3.41Å; E488-I492 PolarHBondContact O-N 2.71Å
489V86.6Confident79.9Confident4 Ų466.1 Ų66.12%0.02436%0.357CS..Hα-helixtrans-61.4-45.8174.2173.40000111.1A465 A469 Y485 N486 L487 I492 L493A465-V489 HydrophobicContact CB-CG1 4.36Å; A469-V489 HydrophobicContact CB-CG2 3.52Å; Y485-V489 HydrophobicContact CD2-CG2 4.3Å; Y485-V489 HydrophobicContact CE1-CG2 4.22Å; Y485-V489 HydrophobicContact CE2-CG2 3.85Å; Y485-V489 WeakPolarHBondContact O-CG2 3.37Å; Y485-V489 PolarHBondContact O-N 2.87Å; N486-V489 PolarHBondContact O-N 3.24Å; L487-V489 VanDerWaalsContact C-N 3.34Å; L487-V489 PolarHBondContact O-N 2.88Å; V489-I492 PolarHBondContact O-N 3.41Å; V489-L493 HydrophobicContact CG1-CD1 3.96Å; V489-L493 HydrophobicContact CG1-CG 4.48Å; V489-L493 WeakPolarHBondContact O-CB 3.25Å; V489-L493 WeakPolarHBondContact O-CG 3.43Å; V489-L493 PolarHBondContact O-N 3.45Å
490Q81.5Confident78.3Confident113 Ų11368.5 Ų68.553%0.52836%0.364SS..Hα-helixtrans-65.1-40.3177.8-69-61.1-18.700112N486 L487 I492 L493 S494N486-Q490 WeakPolarHBondContact O-CG 3.37Å; N486-Q490 PolarHBondContact O-N 3.24Å; L487-Q490 PolarHBondContact O-N 2.86Å; Q490-I492 VanDerWaalsContact C-N 3.33Å; Q490-I492 PolarHBondContact O-N 3.36Å; Q490-L493 PolarHBondContact O-N 2.95Å; Q490-S494 WeakPolarHBondContact O-CB 3.36Å; Q490-S494 PolarHBondContact O-N 3.04Å; Q490-S494 PolarHBondContact O-OG 3.44Å; Q490-S494 VanDerWaalsContact O-OG 3.14Å
491N82.9Confident76.1Confident81 Ų8174.7 Ų74.743%0.43340%0.397SS..Hα-helixtrans-62.2-39.6175.8-70.9-17.1000112.2L487 E488 S494 F495L487-N491 WeakPolarHBondContact O-CB 3.37Å; L487-N491 PolarHBondContact O-N 2.81Å; L487-N491 PolarHBondContact O-ND2 2.94Å; E488-N491 PolarHBondContact O-N 3.01Å; N491-S494 WeakPolarHBondContact CA-OG 3.3Å; N491-S494 PolarHBondContact O-OG 3.17Å; N491-F495 VanDerWaalsContact O-CB 3.27Å; N491-F495 WeakPolarHBondContact O-CB 3.17Å; N491-F495 PolarHBondContact O-N 2.97Å
492I85.4Confident74.2Confident12 Ų1277.5 Ų77.56%0.06240%0.402CS..Hα-helixtrans-69.9-41.1176.1-64.9164.7000110.2Y464 A465 M468 A469 E488 V489 Q490 F495 L496Y464-I492 HydrophobicContact CD1-CG2 4.28Å; Y464-I492 HydrophobicContact CE1-CG2 3.98Å; A465-I492 HydrophobicContact CB-CB 4.12Å; A465-I492 HydrophobicContact CB-CG2 3.76Å; M468-I492 HydrophobicContact CB-CD1 4.16Å; M468-I492 HydrophobicContact CG-CD1 4.02Å; A469-I492 HydrophobicContact CB-CD1 4.01Å; E488-I492 HydrophobicContact CG-CD1 4.09Å; E488-I492 VanDerWaalsContact O-CG1 3.24Å; E488-I492 WeakPolarHBondContact O-CG1 3.41Å; E488-I492 PolarHBondContact O-N 2.71Å; V489-I492 PolarHBondContact O-N 3.41Å; Q490-I492 VanDerWaalsContact C-N 3.33Å; Q490-I492 PolarHBondContact O-N 3.36Å; I492-F495 PolarHBondContact O-N 2.73Å; I492-L496 HydrophobicContact CG2-CD1 3.99Å; I492-L496 HydrophobicContact CG2-CG 4.42Å; I492-L496 WeakPolarHBondContact O-CG 3.49Å; I492-L496 PolarHBondContact O-N 3.02Å
493L84.4Confident72.2Confident22 Ų2280.3 Ų80.312%0.11542%0.423CS..Hα-helixtrans-66.3-39.6177-74.2172.9000112.9K462 A465 V489 Q490 L496 K497K462-L493 HydrophobicContact CG-CD2 4.29Å; A465-L493 HydrophobicContact CB-CD2 3.71Å; A465-L493 HydrophobicContact CB-CG 3.7Å; V489-L493 HydrophobicContact CG1-CD1 3.96Å; V489-L493 HydrophobicContact CG1-CG 4.48Å; V489-L493 WeakPolarHBondContact O-CB 3.25Å; V489-L493 WeakPolarHBondContact O-CG 3.43Å; V489-L493 PolarHBondContact O-N 3.45Å; Q490-L493 PolarHBondContact O-N 2.95Å; L493-L496 PolarHBondContact O-N 3.36Å; L493-K497 WeakPolarHBondContact O-CB 3.39Å; L493-K497 VanDerWaalsContact O-CG 3.28Å; L493-K497 WeakPolarHBondContact O-CG 3.5Å; L493-K497 PolarHBondContact O-N 3.19Å
494S79.9Confident69.9Low55 Ų5581.6 Ų81.639%0.38542%0.421SS..Hα-helixtrans-66.6-41.4176.161.40000110.8Q490 N491 L496 K497 M498Q490-S494 WeakPolarHBondContact O-CB 3.36Å; Q490-S494 PolarHBondContact O-N 3.04Å; Q490-S494 PolarHBondContact O-OG 3.44Å; Q490-S494 VanDerWaalsContact O-OG 3.14Å; N491-S494 WeakPolarHBondContact CA-OG 3.3Å; N491-S494 PolarHBondContact O-OG 3.17Å; S494-L496 PolarHBondContact O-N 3.47Å; S494-K497 PolarHBondContact O-N 3.28Å; S494-M498 WeakPolarHBondContact O-CG 3.49Å; S494-M498 PolarHBondContact O-N 3.34Å
495F77.3Confident67.9Low123 Ų12385.4 Ų85.454%0.53945%0.445SS..Hα-helixtrans-60.1-44.1172.8-178.3-98.9000112.5N491 I492 M498 Q499N491-F495 VanDerWaalsContact O-CB 3.27Å; N491-F495 WeakPolarHBondContact O-CB 3.17Å; N491-F495 PolarHBondContact O-N 2.97Å; I492-F495 PolarHBondContact O-N 2.73Å; F495-M498 PolarHBondContact O-N 3.35Å; F495-Q499 VanDerWaalsContact CZ-NE2 3.26Å; F495-Q499 PolarHBondContact O-N 2.86Å
496L79.7Confident65.3Low4 Ų492.4 Ų92.42%0.02148%0.478CS..Hα-helixtrans-65.7-37.8175.9-68.5168.9000112V432 I434 E461 Y464 I492 L493 S494 Q499 H500V432-L496 HydrophobicContact CG1-CD2 4.09Å; I434-L496 HydrophobicContact CD1-CB 4.28Å; I434-L496 HydrophobicContact CD1-CD2 3.7Å; I434-L496 WeakPolarHBondContact CD1-O 3.43Å; I434-L496 HydrophobicContact CG1-CD2 4.06Å; E461-L496 HydrophobicContact CB-CD1 4.04Å; E461-L496 HydrophobicContact CG-CD1 4.28Å; Y464-L496 HydrophobicContact CD1-CD1 3.96Å; Y464-L496 HydrophobicContact CE1-CD1 4.42Å; I492-L496 HydrophobicContact CG2-CD1 3.99Å; I492-L496 HydrophobicContact CG2-CG 4.42Å; I492-L496 WeakPolarHBondContact O-CG 3.49Å; I492-L496 PolarHBondContact O-N 3.02Å; L493-L496 PolarHBondContact O-N 3.36Å; S494-L496 PolarHBondContact O-N 3.47Å; L496-Q499 PolarHBondContact O-N 3.25Å; L496-H500 PolarHBondContact O-CD2 2.65Å; L496-H500 PolarHBondContact O-N 3.42Å
497K74.4Confident63Low128 Ų12893.8 Ų93.856%0.55748%0.484SS*.Hα-helixtrans-70-36.2176-75.4175.7-178.3179.70113.3L493 S494 Q499 H500 L501L493-K497 WeakPolarHBondContact O-CB 3.39Å; L493-K497 VanDerWaalsContact O-CG 3.28Å; L493-K497 WeakPolarHBondContact O-CG 3.5Å; L493-K497 PolarHBondContact O-N 3.19Å; S494-K497 PolarHBondContact O-N 3.28Å; K497-Q499 PolarHBondContact O-N 3.36Å; K497-H500 WeakPolarHBondContact O-CA 3.36Å; K497-H500 WeakPolarHBondContact O-CB 3.48Å; K497-H500 PolarHBondContact O-N 3.43Å; K497-L501 PolarHBondContact O-N 3.29Å; K497-L501 VanDerWaalsContact O-N 3.12Å
498M61.7Low60.7Low142 Ų14294.5 Ų94.570%0.749%0.487SS*.Hα-helixtrans-63.2-31.6172.6-77.2-172.117300111.5S494 F495 H500 L501S494-M498 WeakPolarHBondContact O-CG 3.49Å; S494-M498 PolarHBondContact O-N 3.34Å; F495-M498 PolarHBondContact O-N 3.35Å; M498-H500 VanDerWaalsContact C-N 3.34Å; M498-L501 PolarHBondContact O-N 2.85Å
499Q58.1Low58.1Low86 Ų8696.4 Ų96.440%0.40250%0.504SS..Hα-helixtrans-74.8-19.5172-69.6-172.2-600113.8I434 F495 L496 K497I434-Q499 HydrophobicContact CD1-CB 3.42Å; I434-Q499 VanDerWaalsContact CD1-CB 3.42Å; I434-Q499 HydrophobicContact CD1-CG 4.28Å; F495-Q499 VanDerWaalsContact CZ-NE2 3.26Å; F495-Q499 PolarHBondContact O-N 2.86Å; L496-Q499 PolarHBondContact O-N 3.25Å; K497-Q499 PolarHBondContact O-N 3.36Å
500H52.9Low55.5Low101 Ų101105 Ų10547%0.46854%0.544SS..Hα-helixtrans-80.1-20.9168.8-87.4-79.7000113.7I434 E461 L496 K497 M498 N502I434-H500 WeakPolarHBondContact CG2-NE2 3.45Å; E461-H500 IonicContact OE1-CD2 2.96Å; E461-H500 IonicContact OE1-CE1 3.8Å; E461-H500 IonicContact OE1-NE2 2.87Å; E461-H500 PolarHBondContact OE1-NE2 2.96Å; E461-H500 IonicContact OE2-CD2 3.84Å; E461-H500 IonicContact OE2-NE2 2.73Å; E461-H500 PolarHBondContact OE2-NE2 3Å; L496-H500 PolarHBondContact O-CD2 2.65Å; L496-H500 PolarHBondContact O-N 3.42Å; K497-H500 WeakPolarHBondContact O-CA 3.36Å; K497-H500 WeakPolarHBondContact O-CB 3.48Å; K497-H500 PolarHBondContact O-N 3.43Å; M498-H500 VanDerWaalsContact C-N 3.34Å; H500-N502 VanDerWaalsContact C-N 3.25Å; H500-N502 PolarHBondContact O-N 3.15Å
501L38.2Very low53.2Low142 Ų142107.9 Ų107.974%0.74356%0.558SS**  trans-87.915.6178.7-81.7164.1000113.6K497 M498 P503K497-L501 PolarHBondContact O-N 3.29Å; K497-L501 VanDerWaalsContact O-N 3.12Å; M498-L501 PolarHBondContact O-N 2.85Å; L501-P503 WeakPolarHBondContact O-CD 3.43Å
502N40.3Very low51Low130 Ų130110.8 Ų110.870%0.69557%0.572SS**SBendtrans-77.2117.8151.1-88.3-22.6000107H500H500-N502 VanDerWaalsContact C-N 3.25Å; H500-N502 PolarHBondContact O-N 3.15Å
503P39.9Very low48.7Very low107 Ų107115.1 Ų115.170%0.69560%0.599SS**  trans-54.8155.8168.618.8-20.1000108.7L501L501-P503 WeakPolarHBondContact O-CD 3.43Å
504D29.9Very low46.9Very low143 Ų143118.3 Ų118.377%0.76562%0.62SS**SBendtrans-27.3152171.8-100.4-37.1000113.2Q506D504-Q506 PolarHBondContact O-N 2.94Å
505P38.7Very low45.8Very low115 Ų115122 Ų12275%0.74764%0.635SS**  trans-58.191.6168.128.1-31.5000107.6L507P505-L507 PolarHBondContact O-N 2.85Å
506Q31.3Very low45.3Very low164 Ų164116.5 Ų116.577%0.76661%0.611SS**  trans-54.7100.1142.1-67.9-163.3-5.900101.9D504 I508D504-Q506 PolarHBondContact O-N 2.94Å; Q506-I508 PolarHBondContact O-N 3.37Å
507L34.3Very low45Very low139 Ų139118.7 Ų118.773%0.72862%0.623SS**  trans-23.1102.5135.9-85.6144.5000105.4P505 P509P505-L507 PolarHBondContact O-N 2.85Å; L507-P509 VanDerWaalsContact O-CD 3.27Å; L507-P509 WeakPolarHBondContact O-CD 3.43Å
508I32Very low45.1Very low123 Ų123112.6 Ų112.663%0.63160%0.596SS**  trans-40117157.2-61.2166.1000102.2Q506 E510Q506-I508 PolarHBondContact O-N 3.37Å; I508-E510 PolarHBondContact O-N 3.49Å
509P30.5Very low45.8Very low91 Ų91109.1 Ų109.159%0.59158%0.578SS**  trans-47.2123.8175.1-26.333.1000105.7L507 Q511L507-P509 VanDerWaalsContact O-CD 3.27Å; L507-P509 WeakPolarHBondContact O-CD 3.43Å; P509-Q511 PolarHBondContact O-N 3.33Å
510E33Very low47Very low183 Ų183105.6 Ų105.686%0.85556%0.563SS**SBendtrans-6442.5178.8-82.2-176.9144.300111.4I508I508-E510 PolarHBondContact O-N 3.49Å
511Q32.3Very low48.6Very low175 Ų175101.2 Ų101.282%0.81854%0.543SS*.  trans-142.933.5-171.9-67.2-172-17.400111.8P509P509-Q511 PolarHBondContact O-N 3.33Å
512I37.3Very low51Low142 Ų14294.4 Ų94.473%0.72851%0.507SS*.SBendtrans-105.8102139-54.5175.5000104.2T514I512-T514 PolarHBondContact O-N 2.85Å
513T35.9Very low53.2Low103 Ų10388.2 Ų88.263%0.63247%0.474SS*.  trans-44.1119.9167.138.20000107.7D515T513-D515 PolarHBondContact O-N 3.38Å; T513-D515 PolarHBondContact OG1-OD2 2.98Å
514T47.8Very low55.4Low89 Ų8983.9 Ų83.955%0.54645%0.446SS..  trans-71.175.517437.60000107.6I512 I516I512-T514 PolarHBondContact O-N 2.85Å; T514-I516 PolarHBondContact O-N 3.47Å
515D57.3Low58Low132 Ų13281.7 Ų81.771%0.70643%0.427SS*.  trans-74.763.5173.9-76.2-37.6000109T513 N517T513-D515 PolarHBondContact O-N 3.38Å; T513-D515 PolarHBondContact OG1-OD2 2.98Å; D515-N517 PolarHBondContact O-N 2.89Å; D515-N517 VanDerWaalsContact O-N 3.14Å
516I66.8Low60Low7 Ų776.4 Ų76.44%0.03639%0.392CS..  trans-64.6114.2166.6-65174.1000105.8Y322 T514 P518 L521 R547 T551 L555Y322-I516 HydrophobicContact CD2-CG1 3.97Å; Y322-I516 HydrophobicContact CE1-CD1 4.24Å; Y322-I516 HydrophobicContact CE1-CG1 4.41Å; Y322-I516 HydrophobicContact CE2-CD1 4.22Å; Y322-I516 HydrophobicContact CE2-CG1 3.51Å; T514-I516 PolarHBondContact O-N 3.47Å; I516-P518 WeakPolarHBondContact O-CD 3.09Å; I516-L521 HydrophobicContact CG2-CD1 3.97Å; I516-R547 PolarHBondContact O-NH2 3.22Å; I516-T551 HydrophobicContact CB-CG2 3.98Å; I516-T551 HydrophobicContact CD1-CG2 4.06Å; I516-T551 HydrophobicContact CG2-CG2 4.12Å; I516-L555 HydrophobicContact CD1-CD1 4.15Å; I516-L555 HydrophobicContact CD1-CD2 3.38Å; I516-L555 HydrophobicContact CD1-CG 3.61Å
517N73.3Confident62.3Low50 Ų5070.3 Ų70.327%0.26737%0.365SS..  trans-95.790.2167.6-169.29.5000109.1D515 E519 C520 R547D515-N517 PolarHBondContact O-N 2.89Å; D515-N517 VanDerWaalsContact O-N 3.14Å; N517-E519 PolarHBondContact O-N 3.06Å; N517-E519 VanDerWaalsContact O-N 3.09Å; N517-E519 WeakPolarHBondContact OD1-CB 3.14Å; N517-C520 PolarHBondContact O-N 3.24Å; N517-C520 VanDerWaalsContact O-N 3.15Å; N517-R547 PolarHBondContact OD1-NH1 3.25Å; N517-R547 PolarHBondContact OD1-NH2 2.88Å
518P75.3Confident64.5Low0 Ų070.2 Ų70.20%036%0.358CS..G310 helixtrans-61.8-22.5-177.127.8-36.2000111.8I516 C520 L521 V522 R547 I550 I554I516-P518 WeakPolarHBondContact O-CD 3.09Å; P518-C520 PolarHBondContact O-N 2.92Å; P518-L521 PolarHBondContact O-N 3.3Å; P518-V522 WeakPolarHBondContact O-CG2 3.11Å; P518-V522 PolarHBondContact O-N 3.48Å; P518-R547 HydrophobicContact CG-CB 4.46Å; P518-R547 HydrophobicContact CG-CG 3.48Å; P518-R547 VanDerWaalsContact CG-CG 3.48Å; P518-I550 HydrophobicContact CB-CB 4.3Å; P518-I550 HydrophobicContact CB-CG2 3.73Å; P518-I554 HydrophobicContact CB-CD1 3.99Å
519E76.3Confident66.8Low69 Ų6969 Ų6932%0.32235%0.348SS..G310 helixtrans-64.7-18.8179.9-56.5178.2-172.800113.6P230 N517 L527 R547P230-E519 HydrophobicContact CB-CB 3.95Å; P230-E519 HydrophobicContact CG-CB 3.74Å; N517-E519 PolarHBondContact O-N 3.06Å; N517-E519 VanDerWaalsContact O-N 3.09Å; N517-E519 WeakPolarHBondContact OD1-CB 3.14Å; E519-L527 HydrophobicContact CB-CD1 4.17Å; E519-L527 HydrophobicContact CG-CD1 4.25Å; E519-L527 HydrophobicContact CG-CD2 4.21Å; E519-R547 IonicContact OE1-NH1 2.8Å; E519-R547 PolarHBondContact OE1-NH1 2.96Å
520C83.1Confident68.9Low12 Ų1265.1 Ų65.18%0.08132%0.322CS..G310 helixtrans-99.9-3.4173.9-68.40000113.7I227 Q321 N517 P518I227-C520 HydrophobicContact CB-CB 4.25Å; Q321-C520 PolarHBondContact NE2-O 3.22Å; N517-C520 PolarHBondContact O-N 3.24Å; N517-C520 VanDerWaalsContact O-N 3.15Å; P518-C520 PolarHBondContact O-N 2.92Å
521L86.3Confident70.6Confident9 Ų962.3 Ų62.35%0.04731%0.307CS..THydrogen-bonded Turntrans-112-17.6-173-59.7176.2000113.5A318 Q321 I516 P518 I554A318-L521 HydrophobicContact CB-CB 3.89Å; A318-L521 WeakPolarHBondContact CB-O 3.44Å; Q321-L521 HydrophobicContact CB-CD2 4.11Å; Q321-L521 VanDerWaalsContact CD-CD2 3.5Å; Q321-L521 HydrophobicContact CG-CD2 3.69Å; Q321-L521 PolarHBondContact OE1-O 3.36Å; I516-L521 HydrophobicContact CG2-CD1 3.97Å; P518-L521 PolarHBondContact O-N 3.3Å; L521-I554 HydrophobicContact CD1-CD1 4.34Å
522V88.6Confident72Confident0 Ų058.3 Ų58.30%029%0.292CS..SBendtrans-123.7155.6178.6-56.90000111.3M314 M315 A318 P518 L527 I550 I554M314-V522 HydrophobicContact CG-CB 4.24Å; M314-V522 HydrophobicContact CG-CG1 4.11Å; M314-V522 HydrophobicContact SD-CB 4.25Å; M314-V522 HydrophobicContact SD-CG1 4.4Å; M315-V522 HydrophobicContact CE-CG1 4.22Å; A318-V522 HydrophobicContact CB-CG1 3.89Å; P518-V522 WeakPolarHBondContact O-CG2 3.11Å; P518-V522 PolarHBondContact O-N 3.48Å; V522-L527 HydrophobicContact CG2-CD2 3.75Å; V522-L527 HydrophobicContact CG2-CG 3.92Å; V522-I550 HydrophobicContact CG1-CG2 4.33Å; V522-I554 HydrophobicContact CG1-CD1 4.42Å
523S88.1Confident73.1Confident0 Ų058.5 Ų58.50%029%0.287CS..  trans-62.9151.9175.882.50000111.7L303 E305 R525 Y526L303-S523 VanDerWaalsContact O-CB 3.32Å; L303-S523 WeakPolarHBondContact O-CB 3.21Å; E305-S523 WeakPolarHBondContact OE1-CB 3.44Å; E305-S523 PolarHBondContact OE1-OG 3.25Å; S523-R525 PolarHBondContact O-N 3.22Å; S523-Y526 PolarHBondContact O-N 2.72Å; S523-Y526 VanDerWaalsContact O-N 3.13Å; S523-Y526 WeakPolarHBondContact OG-CD2 3.31Å
524P85Confident74Confident16 Ų1656.1 Ų56.110%0.10427%0.269CS..Hα-helixtrans-57.8-23.8179.5-28.237.1000115L233 F237 K528L233-P524 HydrophobicContact CG-CG 4.35Å; F237-P524 HydrophobicContact CB-CG 3.95Å; F237-P524 HydrophobicContact CD1-CB 4.04Å; F237-P524 HydrophobicContact CD1-CG 3.97Å; F237-P524 HydrophobicContact CD2-CG 4.28Å; F237-P524 HydrophobicContact CE1-CB 4.31Å; F237-P524 HydrophobicContact CG-CB 4.36Å; F237-P524 HydrophobicContact CG-CG 3.79Å; P524-K528 PolarHBondContact O-N 3.41Å
525R84.4Confident74.2Confident97 Ų9759.5 Ų59.537%0.36628%0.278SS..Hα-helixtrans-64.9-42.1177.2-171.6-179.277.4156.83.3112.1E305 S523 K528 K529E305-R525 WeakPolarHBondContact OE1-CB 3.43Å; E305-R525 WeakPolarHBondContact OE1-CD 3.43Å; E305-R525 IonicContact OE1-NE 3.84Å; E305-R525 PolarHBondContact OE1-NE 3.21Å; S523-R525 PolarHBondContact O-N 3.22Å; R525-K528 PolarHBondContact O-N 3.44Å; R525-K529 WeakPolarHBondContact O-CB 3.41Å; R525-K529 PolarHBondContact O-N 3.38Å
526Y81.4Confident74.2Confident4 Ų462.5 Ų62.52%0.01629%0.285CS..Hα-helixtrans-65.7-41.7-179.6-73.7-79.8000110.6C309 T310 E311 M314 S523 K528 K529 Y530C309-Y526 PolarHBondContact O-OH 3.38Å; T310-Y526 PolarHBondContact O-OH 3.21Å; E311-Y526 HydrophobicContact CB-CE1 3.97Å; E311-Y526 HydrophobicContact CG-CD1 4.35Å; E311-Y526 HydrophobicContact CG-CE1 3.99Å; M314-Y526 HydrophobicContact CB-CD2 4.42Å; M314-Y526 HydrophobicContact CB-CE1 4.48Å; M314-Y526 HydrophobicContact CB-CE2 3.94Å; M314-Y526 HydrophobicContact CE-CD2 3.87Å; M314-Y526 HydrophobicContact CE-CE2 3.54Å; M314-Y526 HydrophobicContact CG-CD2 3.74Å; M314-Y526 HydrophobicContact CG-CE2 3.71Å; M314-Y526 HydrophobicContact CG-CG 4.27Å; M314-Y526 HydrophobicContact SD-CD2 4.48Å; M314-Y526 HydrophobicContact SD-CE2 4.45Å; S523-Y526 PolarHBondContact O-N 2.72Å; S523-Y526 VanDerWaalsContact O-N 3.13Å; S523-Y526 WeakPolarHBondContact OG-CD2 3.31Å; Y526-K528 VanDerWaalsContact C-N 3.29Å; Y526-K528 PolarHBondContact O-N 3.01Å; Y526-K529 PolarHBondContact O-N 3.36Å; Y526-K529 VanDerWaalsContact O-N 3.17Å; Y526-Y530 HydrophobicContact CD1-CE2 4.29Å; Y526-Y530 WeakPolarHBondContact O-CD2 3.35Å; Y526-Y530 PolarHBondContact O-N 2.77Å
527L80.3Confident73.4Confident36 Ų3664 Ų6419%0.18830%0.303CS..Hα-helixtrans-56.3-43173.9-59.7174.1000111.9E519 V522 K531 I550E519-L527 HydrophobicContact CB-CD1 4.17Å; E519-L527 HydrophobicContact CG-CD1 4.25Å; E519-L527 HydrophobicContact CG-CD2 4.21Å; V522-L527 HydrophobicContact CG2-CD2 3.75Å; V522-L527 HydrophobicContact CG2-CG 3.92Å; L527-K531 WeakPolarHBondContact O-CG 3.37Å; L527-K531 PolarHBondContact O-N 2.9Å; L527-I550 HydrophobicContact CD2-CD1 3.94Å
528K80.7Confident71.9Confident136 Ų13668.5 Ų68.559%0.59134%0.336SS*.Hα-helixtrans-68.9-42.1176-69.9177.9-178.3177.50112.7P524 R525 Y526 K531 N532P524-K528 PolarHBondContact O-N 3.41Å; R525-K528 PolarHBondContact O-N 3.44Å; Y526-K528 VanDerWaalsContact C-N 3.29Å; Y526-K528 PolarHBondContact O-N 3.01Å; K528-K531 PolarHBondContact O-N 3.03Å; K528-N532 PolarHBondContact O-N 3.09Å
529K79.8Confident70.5Confident97 Ų9776.8 Ų76.842%0.42237%0.372SS..Hα-helixtrans-62.6-45.3-178.3-172.7-174.1179.6-1670111.8E311 R525 Y526 N532 K533E311-K529 IonicContact OE2-NZ 2.72Å; E311-K529 PolarHBondContact OE2-NZ 2.9Å; R525-K529 WeakPolarHBondContact O-CB 3.41Å; R525-K529 PolarHBondContact O-N 3.38Å; Y526-K529 PolarHBondContact O-N 3.36Å; Y526-K529 VanDerWaalsContact O-N 3.17Å; K529-N532 PolarHBondContact O-N 3.12Å; K529-K533 PolarHBondContact O-N 2.78Å
530Y73.3Confident69Low11 Ų1181.3 Ų81.34%0.04339%0.391CS..Hα-helixtrans-69.6-32.7178.6-74.2-76.7000112.7E311 M315 Y526 Q534 L549 I550 R553E311-Y530 WeakPolarHBondContact CG-OH 3.18Å; E311-Y530 PolarHBondContact OE1-OH 2.99Å; M315-Y530 HydrophobicContact CE-CE2 4.38Å; Y526-Y530 HydrophobicContact CD1-CE2 4.29Å; Y526-Y530 WeakPolarHBondContact O-CD2 3.35Å; Y526-Y530 PolarHBondContact O-N 2.77Å; Y530-Q534 PolarHBondContact O-N 3.36Å; Y530-L549 HydrophobicContact CD1-CD2 4.04Å; Y530-L549 HydrophobicContact CE1-CD2 4.34Å; Y530-I550 HydrophobicContact CD2-CD1 3.66Å; Y530-I550 HydrophobicContact CD2-CG1 3.74Å; Y530-I550 HydrophobicContact CE2-CD1 4.27Å; Y530-I550 HydrophobicContact CE2-CG1 3.99Å; Y530-I550 HydrophobicContact CG-CD1 4.16Å; Y530-I550 HydrophobicContact CG-CG1 4.12Å; Y530-R553 PolarHBondContact OH-NH1 3.45Å
531K69.6Low67.2Low124 Ų12489.8 Ų89.854%0.53943%0.429SS..Hα-helixtrans-61.1-47.4168.3-73.7-179.2-179.3-175.40112L527 K528 K533 Q534 E535 V546L527-K531 WeakPolarHBondContact O-CG 3.37Å; L527-K531 PolarHBondContact O-N 2.9Å; K528-K531 PolarHBondContact O-N 3.03Å; K531-K533 PolarHBondContact O-N 3.44Å; K531-Q534 VanDerWaalsContact O-CB 3.26Å; K531-Q534 WeakPolarHBondContact O-CB 3.46Å; K531-Q534 PolarHBondContact O-N 2.92Å; K531-E535 PolarHBondContact O-N 3.22Å; K531-V546 HydrophobicContact CG-CB 4.44Å; K531-V546 HydrophobicContact CG-CG1 4.18Å; K531-V546 HydrophobicContact CG-CG2 4.12Å
532N60.8Low65.5Low91 Ų9195 Ų9549%0.48745%0.454SS..Hα-helixtrans-67-32.6179.2-72.2-12.8000113.7K528 K529 Q534 E535 K536K528-N532 PolarHBondContact O-N 3.09Å; K529-N532 PolarHBondContact O-N 3.12Å; N532-Q534 VanDerWaalsContact C-N 3.28Å; N532-E535 PolarHBondContact O-N 3.11Å; N532-K536 PolarHBondContact O-N 3.39Å
533K60.3Low63.7Low146 Ų146101.5 Ų101.564%0.63550%0.497SS*.Hα-helixtrans-69.2-29.3175.5-164.1175.4-178.6-179.40111.6K529 K531 G537K529-K533 PolarHBondContact O-N 2.78Å; K531-K533 PolarHBondContact O-N 3.44Å; K533-G537 PolarHBondContact O-N 2.64Å
534Q55.2Low62.4Low53 Ų53103.3 Ų103.325%0.24852%0.516CS..Hα-helixtrans-66.6-43172.8-169.9-176.818.400111.8Y530 K531 N532 K536 G537 K540 V546Y530-Q534 PolarHBondContact O-N 3.36Å; K531-Q534 VanDerWaalsContact O-CB 3.26Å; K531-Q534 WeakPolarHBondContact O-CB 3.46Å; K531-Q534 PolarHBondContact O-N 2.92Å; N532-Q534 VanDerWaalsContact C-N 3.28Å; Q534-K536 VanDerWaalsContact C-N 3.26Å; Q534-K536 PolarHBondContact O-N 3.31Å; Q534-G537 PolarHBondContact O-N 3.44Å; Q534-G537 VanDerWaalsContact O-O 3.05Å; Q534-K540 PolarHBondContact NE2-O 3.39Å; Q534-V546 HydrophobicContact CB-CG2 4.32Å; Q534-V546 VanDerWaalsContact OE1-CG2 3.22Å
535E53.5Low61.6Low159 Ų159107.6 Ų107.674%0.74353%0.53SS*.Hα-helixtrans-65.1-27.4179.6-70.5-177.8169.800113.4K531 N532K531-E535 PolarHBondContact O-N 3.22Å; N532-E535 PolarHBondContact O-N 3.11Å
536K56Low60.8Low195 Ų195103.6 Ų103.685%0.84852%0.517SS*.THydrogen-bonded Turntrans-90.1-9.4-179.1-67.1-174.4179.6-176.30114.7N532 Q534N532-K536 PolarHBondContact O-N 3.39Å; Q534-K536 VanDerWaalsContact C-N 3.26Å; Q534-K536 PolarHBondContact O-N 3.31Å
537G50.9Low60.4Low40 Ų40107.7 Ų107.741%0.41253%0.532SS..SBendtrans-115.4128.3178.300000111.6K533 Q534 K539K533-G537 PolarHBondContact O-N 2.64Å; Q534-G537 PolarHBondContact O-N 3.44Å; Q534-G537 VanDerWaalsContact O-O 3.05Å; G537-K539 PolarHBondContact O-N 2.92Å
538C42.2Very low60.2Low143 Ų143110.5 Ų110.597%0.96655%0.548SS*.SBendtrans-64.535.3-177-71.90000116.7
539K44.8Very low60.2Low174 Ų174107.2 Ų107.276%0.75754%0.536SS*.SBendtrans-121.894.5175.1-72.6-173.3178.7178.80111.9G537G537-K539 PolarHBondContact O-N 2.92Å
540K45.5Very low60.3Low164 Ų164102.6 Ų102.671%0.71352%0.516SS*.  trans60.9114.6153.7-64-174.8177.6-179.10119Q534 M542Q534-K540 PolarHBondContact NE2-O 3.39Å; K540-M542 PolarHBondContact O-N 3.4Å; K540-M542 VanDerWaalsContact O-N 3.11Å
541H45.8Very low60.8Low191 Ų191103.2 Ų103.288%0.88452%0.521SS*.  trans-65.887154.2-76.436.4000110
542M49.1Very low61.5Low117 Ų117100 Ų10058%0.57652%0.518SS*.  trans-120.9130159.8-84.6-156.6-63.800109.2K540 G544 Y545K540-M542 PolarHBondContact O-N 3.4Å; K540-M542 VanDerWaalsContact O-N 3.11Å; M542-G544 PolarHBondContact O-N 3.14Å; M542-Y545 PolarHBondContact O-N 3.18Å
543P51.1Low62.6Low137 Ų13798 Ų9889%0.8950%0.503SS*.THydrogen-bonded Turntrans-56.7130.1168.4-17.429.2000109.4
544G61.4Low63.9Low39 Ų3991 Ų9140%0.40247%0.473SS..THydrogen-bonded Turntrans101.3-20177.400000116.5M542 V546 R547 D548M542-G544 PolarHBondContact O-N 3.14Å; G544-V546 VanDerWaalsContact C-N 3.33Å; G544-V546 PolarHBondContact O-N 3.36Å; G544-V546 VanDerWaalsContact O-N 3.15Å; G544-R547 WeakPolarHBondContact O-CA 3.21Å; G544-R547 WeakPolarHBondContact O-CB 3.4Å; G544-R547 PolarHBondContact O-N 2.97Å; G544-D548 PolarHBondContact O-N 3.35Å
545Y67.1Low65.3Low105 Ų10591.5 Ų91.541%0.41248%0.477SS..Hα-helixtrans-58-37.5-174-177-104.1000115M542 R547 D548 L549M542-Y545 PolarHBondContact O-N 3.18Å; Y545-R547 VanDerWaalsContact C-N 3.32Å; Y545-D548 PolarHBondContact O-N 2.94Å; Y545-L549 WeakPolarHBondContact O-CB 3.41Å; Y545-L549 PolarHBondContact O-N 3.19Å
546V68.9Low66.7Low13 Ų1390.2 Ų90.28%0.07947%0.471CS..Hα-helixtrans-66-37.6176.5169.80000111.6K531 Q534 G544 I550K531-V546 HydrophobicContact CG-CB 4.44Å; K531-V546 HydrophobicContact CG-CG1 4.18Å; K531-V546 HydrophobicContact CG-CG2 4.12Å; Q534-V546 HydrophobicContact CB-CG2 4.32Å; Q534-V546 VanDerWaalsContact OE1-CG2 3.22Å; G544-V546 VanDerWaalsContact C-N 3.33Å; G544-V546 PolarHBondContact O-N 3.36Å; G544-V546 VanDerWaalsContact O-N 3.15Å; V546-I550 HydrophobicContact CG1-CD1 3.97Å; V546-I550 WeakPolarHBondContact O-CG1 3.43Å; V546-I550 PolarHBondContact O-N 3.01Å; V546-I550 VanDerWaalsContact O-N 3.14Å
547R72.8Confident68Low90 Ų9081.7 Ų81.734%0.3444%0.437SS..Hα-helixtrans-62.9-49.5175.4-171.6-172.4174.8113.1-5.4109I516 N517 P518 E519 G544 Y545 L549 I550 T551I516-R547 PolarHBondContact O-NH2 3.22Å; N517-R547 PolarHBondContact OD1-NH1 3.25Å; N517-R547 PolarHBondContact OD1-NH2 2.88Å; P518-R547 HydrophobicContact CG-CB 4.46Å; P518-R547 HydrophobicContact CG-CG 3.48Å; P518-R547 VanDerWaalsContact CG-CG 3.48Å; E519-R547 IonicContact OE1-NH1 2.8Å; E519-R547 PolarHBondContact OE1-NH1 2.96Å; G544-R547 WeakPolarHBondContact O-CA 3.21Å; G544-R547 WeakPolarHBondContact O-CB 3.4Å; G544-R547 PolarHBondContact O-N 2.97Å; Y545-R547 VanDerWaalsContact C-N 3.32Å; R547-L549 VanDerWaalsContact C-N 3.33Å; R547-L549 PolarHBondContact O-N 3.36Å; R547-I550 PolarHBondContact O-N 3.45Å; R547-T551 WeakPolarHBondContact O-CB 3.34Å; R547-T551 PolarHBondContact O-N 3.38Å; R547-T551 PolarHBondContact O-OG1 2.99Å
548D75.3Confident69.6Low96 Ų9681 Ų8151%0.51342%0.423SS..Hα-helixtrans-61.5-39.7-179.3-57-26.1000112.4G544 Y545 T551 A552G544-D548 PolarHBondContact O-N 3.35Å; Y545-D548 PolarHBondContact O-N 2.94Å; D548-T551 PolarHBondContact O-N 3.41Å; D548-A552 WeakPolarHBondContact O-CB 3.41Å; D548-A552 PolarHBondContact O-N 3.06Å
549L80.1Confident71.4Confident67 Ų6781.5 Ų81.535%0.35141%0.411SS..Hα-helixtrans-64.2-45.7177-178.266.3000112.2Y530 Y545 R547 A552 R553Y530-L549 HydrophobicContact CD1-CD2 4.04Å; Y530-L549 HydrophobicContact CE1-CD2 4.34Å; Y545-L549 WeakPolarHBondContact O-CB 3.41Å; Y545-L549 PolarHBondContact O-N 3.19Å; R547-L549 VanDerWaalsContact C-N 3.33Å; R547-L549 PolarHBondContact O-N 3.36Å; L549-A552 PolarHBondContact O-N 3.34Å; L549-R553 WeakPolarHBondContact O-CG 3.42Å; L549-R553 PolarHBondContact O-N 3.25Å
550I82.1Confident73.1Confident0 Ų079 Ų790%041%0.406CS..Hα-helixtrans-66.5-43.8177.7-64.3168.5000109.6M315 P518 V522 L527 Y530 V546 R547 A552 R553 I554M315-I550 HydrophobicContact SD-CG2 4.4Å; P518-I550 HydrophobicContact CB-CB 4.3Å; P518-I550 HydrophobicContact CB-CG2 3.73Å; V522-I550 HydrophobicContact CG1-CG2 4.33Å; L527-I550 HydrophobicContact CD2-CD1 3.94Å; Y530-I550 HydrophobicContact CD2-CD1 3.66Å; Y530-I550 HydrophobicContact CD2-CG1 3.74Å; Y530-I550 HydrophobicContact CE2-CD1 4.27Å; Y530-I550 HydrophobicContact CE2-CG1 3.99Å; Y530-I550 HydrophobicContact CG-CD1 4.16Å; Y530-I550 HydrophobicContact CG-CG1 4.12Å; V546-I550 HydrophobicContact CG1-CD1 3.97Å; V546-I550 WeakPolarHBondContact O-CG1 3.43Å; V546-I550 PolarHBondContact O-N 3.01Å; V546-I550 VanDerWaalsContact O-N 3.14Å; R547-I550 PolarHBondContact O-N 3.45Å; I550-A552 VanDerWaalsContact C-N 3.33Å; I550-A552 PolarHBondContact O-N 3.44Å; I550-R553 PolarHBondContact O-N 2.96Å; I550-I554 HydrophobicContact CG2-CD1 3.74Å; I550-I554 HydrophobicContact CG2-CG1 4.29Å; I550-I554 VanDerWaalsContact O-CG1 3.3Å; I550-I554 WeakPolarHBondContact O-CG1 3.34Å; I550-I554 PolarHBondContact O-N 3.38Å
551T84.4Confident74.8Confident24 Ų2471.2 Ų71.215%0.14737%0.372CS..Hα-helixtrans-57.5-44.4175.7-62.40000111.8I516 R547 D548 R553 I554 L555I516-T551 HydrophobicContact CB-CG2 3.98Å; I516-T551 HydrophobicContact CD1-CG2 4.06Å; I516-T551 HydrophobicContact CG2-CG2 4.12Å; R547-T551 WeakPolarHBondContact O-CB 3.34Å; R547-T551 PolarHBondContact O-N 3.38Å; R547-T551 PolarHBondContact O-OG1 2.99Å; D548-T551 PolarHBondContact O-N 3.41Å; T551-R553 PolarHBondContact O-N 3.09Å; T551-I554 PolarHBondContact O-N 2.73Å; T551-L555 HydrophobicContact CG2-CD1 4.07Å; T551-L555 HydrophobicContact CG2-CG 4.47Å; T551-L555 WeakPolarHBondContact O-CB 3.27Å; T551-L555 WeakPolarHBondContact O-CG 3.27Å; T551-L555 PolarHBondContact O-N 2.89Å
552A83.6Confident76.2Confident57 Ų5764 Ų6447%0.47135%0.345SS..Hα-helixtrans-60.7-43.4177.400000112.2D548 L549 I550 L555 E556D548-A552 WeakPolarHBondContact O-CB 3.41Å; D548-A552 PolarHBondContact O-N 3.06Å; L549-A552 PolarHBondContact O-N 3.34Å; I550-A552 VanDerWaalsContact C-N 3.33Å; I550-A552 PolarHBondContact O-N 3.44Å; A552-L555 PolarHBondContact O-N 3.13Å; A552-E556 PolarHBondContact O-N 3.35Å
553R84.6Confident77.7Confident48 Ų4867 Ų6718%0.18136%0.358CS..Hα-helixtrans-66.5-38.5176.4-69.8-171.269.5168.94.6113E311 E312 M315 Y530 L549 I550 T551 L555 E556 A557E311-R553 IonicContact OE1-CZ 2.75Å; E311-R553 IonicContact OE1-NH1 3.3Å; E311-R553 PolarHBondContact OE1-NH1 3.43Å; E312-R553 IonicContact OE1-CZ 3.65Å; E312-R553 IonicContact OE1-NH2 2.91Å; E312-R553 PolarHBondContact OE1-NH2 2.91Å; E312-R553 IonicContact OE2-NH2 3.88Å; E312-R553 PolarHBondContact OE2-NH2 2.96Å; M315-R553 HydrophobicContact CG-CB 4.17Å; M315-R553 HydrophobicContact SD-CB 3.93Å; Y530-R553 PolarHBondContact OH-NH1 3.45Å; L549-R553 WeakPolarHBondContact O-CG 3.42Å; L549-R553 PolarHBondContact O-N 3.25Å; I550-R553 PolarHBondContact O-N 2.96Å; T551-R553 PolarHBondContact O-N 3.09Å; R553-L555 VanDerWaalsContact C-N 3.35Å; R553-E556 PolarHBondContact O-N 2.89Å; R553-A557 PolarHBondContact O-N 3.45Å
554I86.7Confident79.1Confident0 Ų062 Ų620%032%0.323CS..Hα-helixtrans-63.7-43.5174.6-68.1170000110M315 A318 A319 P518 L521 V522 I550 T551 A557 H558M315-I554 HydrophobicContact SD-CG1 4.36Å; A318-I554 HydrophobicContact CB-CD1 3.81Å; A318-I554 HydrophobicContact CB-CG1 3.85Å; A319-I554 HydrophobicContact CB-CG2 4.28Å; P518-I554 HydrophobicContact CB-CD1 3.99Å; L521-I554 HydrophobicContact CD1-CD1 4.34Å; V522-I554 HydrophobicContact CG1-CD1 4.42Å; I550-I554 HydrophobicContact CG2-CD1 3.74Å; I550-I554 HydrophobicContact CG2-CG1 4.29Å; I550-I554 VanDerWaalsContact O-CG1 3.3Å; I550-I554 WeakPolarHBondContact O-CG1 3.34Å; I550-I554 PolarHBondContact O-N 3.38Å; T551-I554 PolarHBondContact O-N 2.73Å; I554-A557 PolarHBondContact O-N 3.35Å; I554-H558 VanDerWaalsContact O-CB 3.26Å; I554-H558 WeakPolarHBondContact O-CB 3.48Å; I554-H558 PolarHBondContact O-N 3.04Å
555L84.4Confident80.3Confident63 Ų6363.2 Ų63.233%0.3333%0.326SS..Hα-helixtrans-65.1-37.8178.1-78.1173.1000112.8I516 T551 A552 R553 H558 Q559I516-L555 HydrophobicContact CD1-CD1 4.15Å; I516-L555 HydrophobicContact CD1-CD2 3.38Å; I516-L555 HydrophobicContact CD1-CG 3.61Å; T551-L555 HydrophobicContact CG2-CD1 4.07Å; T551-L555 HydrophobicContact CG2-CG 4.47Å; T551-L555 WeakPolarHBondContact O-CB 3.27Å; T551-L555 WeakPolarHBondContact O-CG 3.27Å; T551-L555 PolarHBondContact O-N 2.89Å; A552-L555 PolarHBondContact O-N 3.13Å; R553-L555 VanDerWaalsContact C-N 3.35Å; L555-H558 WeakPolarHBondContact O-CB 3.46Å; L555-H558 PolarHBondContact O-N 2.95Å; L555-Q559 PolarHBondContact O-N 2.79Å
556E84.7Confident81.1Confident131 Ų13160.1 Ų60.161%0.61232%0.316SS*.Hα-helixtrans-61.8-48.9173.4-176178.1-165.200111A552 R553 H558 Q559A552-E556 PolarHBondContact O-N 3.35Å; R553-E556 PolarHBondContact O-N 2.89Å; E556-H558 VanDerWaalsContact C-N 3.28Å; E556-H558 PolarHBondContact O-N 3.24Å; E556-Q559 PolarHBondContact O-N 2.94Å
557A82.8Confident82Confident17 Ų1761.9 Ų61.914%0.1432%0.324CS..Hα-helixtrans-63.4-34.4174.800000112.3A319 R553 I554 Q559 N560A319-A557 HydrophobicContact CB-CB 3.79Å; R553-A557 PolarHBondContact O-N 3.45Å; I554-A557 PolarHBondContact O-N 3.35Å; A557-Q559 VanDerWaalsContact C-N 3.27Å; A557-Q559 PolarHBondContact O-N 2.93Å; A557-N560 WeakPolarHBondContact O-CB 3.37Å; A557-N560 PolarHBondContact O-N 2.82Å; A557-N560 VanDerWaalsContact O-N 3.16Å
558H83.8Confident82.7Confident24 Ų2461.3 Ų61.311%0.11133%0.326CS..Hα-helixtrans-61.9-31.1-180179.5-98.7000113.1A319 Y322 H323 I554 L555 E556 N560 V561 A562A319-H558 HydrophobicContact CB-CB 4.22Å; Y322-H558 AromaticContact CD1-CD2 3.64Å; Y322-H558 AromaticContact CD1-NE2 3.88Å; Y322-H558 AromaticContact CE1-NE2 3.93Å; H323-H558 AromaticContact ND1-NE2 3.55Å; I554-H558 VanDerWaalsContact O-CB 3.26Å; I554-H558 WeakPolarHBondContact O-CB 3.48Å; I554-H558 PolarHBondContact O-N 3.04Å; L555-H558 WeakPolarHBondContact O-CB 3.46Å; L555-H558 PolarHBondContact O-N 2.95Å; E556-H558 VanDerWaalsContact C-N 3.28Å; E556-H558 PolarHBondContact O-N 3.24Å; H558-N560 PolarHBondContact O-N 2.79Å; H558-N560 VanDerWaalsContact O-N 3.11Å; H558-V561 VanDerWaalsContact O-CG2 3.32Å; H558-V561 WeakPolarHBondContact O-CG2 3.36Å; H558-V561 PolarHBondContact O-N 3.49Å; H558-A562 PolarHBondContact O-N 3.14Å
559Q80.4Confident83.3Confident154 Ų15456.8 Ų56.872%0.7230%0.301SS*.THydrogen-bonded Turntrans-56.2-30.4176.9-65.9-179.99.500112.5L555 E556 A557 V561L555-Q559 PolarHBondContact O-N 2.79Å; E556-Q559 PolarHBondContact O-N 2.94Å; A557-Q559 VanDerWaalsContact C-N 3.27Å; A557-Q559 PolarHBondContact O-N 2.93Å; Q559-V561 VanDerWaalsContact C-N 3.33Å
560N80.6Confident83.9Confident123 Ų12353.8 Ų53.866%0.65829%0.285SS*.THydrogen-bonded Turntrans-78.7-14.9179.5-60.2-48.5000113.7A557 H558A557-N560 WeakPolarHBondContact O-CB 3.37Å; A557-N560 PolarHBondContact O-N 2.82Å; A557-N560 VanDerWaalsContact O-N 3.16Å; H558-N560 PolarHBondContact O-N 2.79Å; H558-N560 VanDerWaalsContact O-N 3.11Å
561V80.6Confident84.4Confident0 Ų055.1 Ų55.10%029%0.292CS..THydrogen-bonded Turntrans-119.2-9.4-174.1-58.90000113.9M316 A319 L320 H323 H558 Q559 Q563 M564M316-V561 HydrophobicContact CE-CG1 3.27Å; M316-V561 HydrophobicContact SD-CG1 4.16Å; A319-V561 HydrophobicContact CB-CG2 4.47Å; L320-V561 HydrophobicContact CD2-CB 4.03Å; L320-V561 HydrophobicContact CD2-CG1 3.59Å; L320-V561 HydrophobicContact CG-CG1 4.13Å; H323-V561 HydrophobicContact CB-CG2 4.34Å; H323-V561 PolarHBondContact NE2-O 2.65Å; H558-V561 VanDerWaalsContact O-CG2 3.32Å; H558-V561 WeakPolarHBondContact O-CG2 3.36Å; H558-V561 PolarHBondContact O-N 3.49Å; Q559-V561 VanDerWaalsContact C-N 3.33Å; V561-Q563 PolarHBondContact O-N 3.39Å; V561-M564 HydrophobicContact CB-CE 4.36Å; V561-M564 HydrophobicContact CB-SD 3.92Å; V561-M564 HydrophobicContact CG1-CE 3.99Å; V561-M564 HydrophobicContact CG1-SD 3.95Å; V561-M564 WeakPolarHBondContact O-CB 3.47Å; V561-M564 WeakPolarHBondContact O-CG 3.42Å; V561-M564 PolarHBondContact O-N 3.06Å
562A76.4Confident84.7Confident38 Ų3859.5 Ų59.531%0.31431%0.306SS..THydrogen-bonded Turntrans-57.6-23.2-17300000115.2H323 H558H323-A562 PolarHBondContact CE1-O 2.75Å; H323-A562 VanDerWaalsContact CE1-O 3.28Å; H558-A562 PolarHBondContact O-N 3.14Å
563Q79.9Confident85.3Confident182 Ų18256.9 Ų56.985%0.8528%0.284SS*.THydrogen-bonded Turntrans-94.5-3.8-179.4-60.5-61.2-25.300113.7V561V561-Q563 PolarHBondContact O-N 3.39Å
564M81.6Confident85.8Confident31 Ų3154.6 Ų54.615%0.15328%0.275CS..  trans-75.2144.9-177.5-64.5178-17900111.1L320 H323 V561 E568 A569 R572L320-M564 HydrophobicContact CD2-SD 4.3Å; H323-M564 PolarHBondContact NE2-O 2.9Å; V561-M564 HydrophobicContact CB-CE 4.36Å; V561-M564 HydrophobicContact CB-SD 3.92Å; V561-M564 HydrophobicContact CG1-CE 3.99Å; V561-M564 HydrophobicContact CG1-SD 3.95Å; V561-M564 WeakPolarHBondContact O-CB 3.47Å; V561-M564 WeakPolarHBondContact O-CG 3.42Å; V561-M564 PolarHBondContact O-N 3.06Å; M564-E568 HydrophobicContact CB-CB 4.48Å; M564-E568 HydrophobicContact CB-CG 4.39Å; M564-E568 HydrophobicContact CG-CG 4.48Å; M564-A569 HydrophobicContact CB-CB 4.29Å; M564-R572 HydrophobicContact CE-CG 4.14Å; M564-R572 HydrophobicContact SD-CB 4.41Å; M564-R572 HydrophobicContact SD-CG 3.84Å
565S86.4Confident86.2Confident65 Ų6558.8 Ų58.846%0.45530%0.295SS..  trans-68.9164.9169.371.70000111.7I567 E568 A569S565-I567 PolarHBondContact O-N 3.45Å; S565-E568 PolarHBondContact O-N 2.91Å; S565-E568 WeakPolarHBondContact OG-CB 3.43Å; S565-E568 PolarHBondContact OG-N 3.06Å; S565-A569 WeakPolarHBondContact O-CB 3.28Å; S565-A569 PolarHBondContact O-N 3.41Å
566L84.1Confident86.5Confident39 Ų3957 Ų5720%0.20429%0.289CS..Hα-helixtrans-56.6-47.6-179.817661000112.6I324 L327 S328 K570I324-L566 HydrophobicContact CB-CD1 4.35Å; I324-L566 HydrophobicContact CG2-CD1 3.86Å; L327-L566 HydrophobicContact CB-CB 4.32Å; L327-L566 HydrophobicContact CB-CD1 4.06Å; L327-L566 HydrophobicContact CD1-CB 4.16Å; S328-L566 WeakPolarHBondContact OG-CD1 3.45Å; L566-K570 WeakPolarHBondContact O-CG 3.23Å; L566-K570 PolarHBondContact O-N 3.09Å
567I86.5Confident87.1Confident51 Ų5151 Ų5126%0.26226%0.261SS..Hα-helixtrans-74-37.1-178.1-59.6171.8000110.5P284 I291 S565 A569 K570 M571P284-I567 HydrophobicContact CB-CG2 3.64Å; P284-I567 HydrophobicContact CG-CG2 4.18Å; I291-I567 HydrophobicContact CD1-CG2 4.02Å; I291-I567 HydrophobicContact CG2-CG2 4.42Å; S565-I567 PolarHBondContact O-N 3.45Å; I567-A569 PolarHBondContact O-N 2.89Å; I567-K570 PolarHBondContact O-N 3.12Å; I567-M571 HydrophobicContact CG2-CG 4.41Å; I567-M571 WeakPolarHBondContact O-CG 3.23Å; I567-M571 PolarHBondContact O-N 2.84Å
568E87.9Confident87.6Confident78 Ų7853.7 Ų53.736%0.36427%0.27SS..Hα-helixtrans-61.5-44.1175.1-175.7179-173.700111.6M564 S565 K570 M571 R572M564-E568 HydrophobicContact CB-CB 4.48Å; M564-E568 HydrophobicContact CB-CG 4.39Å; M564-E568 HydrophobicContact CG-CG 4.48Å; S565-E568 PolarHBondContact O-N 2.91Å; S565-E568 WeakPolarHBondContact OG-CB 3.43Å; S565-E568 PolarHBondContact OG-N 3.06Å; E568-K570 VanDerWaalsContact C-N 3.34Å; E568-K570 PolarHBondContact O-N 3.26Å; E568-M571 WeakPolarHBondContact O-CB 3.38Å; E568-M571 PolarHBondContact O-N 2.99Å; E568-M571 VanDerWaalsContact O-N 3.14Å; E568-R572 HydrophobicContact CG-CG 4.41Å; E568-R572 WeakPolarHBondContact O-CG 3.27Å; E568-R572 PolarHBondContact O-N 2.77Å
569A88.1Confident88Confident0 Ų056.6 Ų56.60%029%0.294CS..Hα-helixtrans-60.6-41.9177.100000111.9L320 I324 M564 S565 I567 R572 F573L320-A569 HydrophobicContact CD2-CB 4.32Å; I324-A569 HydrophobicContact CD1-CB 4.2Å; I324-A569 HydrophobicContact CG1-CB 3.66Å; M564-A569 HydrophobicContact CB-CB 4.29Å; S565-A569 WeakPolarHBondContact O-CB 3.28Å; S565-A569 PolarHBondContact O-N 3.41Å; I567-A569 PolarHBondContact O-N 2.89Å; A569-R572 PolarHBondContact O-N 2.8Å; A569-F573 PolarHBondContact O-N 3.33Å
570K92.8Very high88.6Confident5 Ų549.5 Ų49.52%0.02226%0.261CS..Hα-helixtrans-61.2-43.8173-69.3177.7-171.9-177.80111.7A222 I291 N292 Y295 I324 L566 I567 E568 F573 I574A222-K570 PolarHBondContact O-NZ 3.42Å; I291-K570 HydrophobicContact CG2-CB 3.87Å; I291-K570 HydrophobicContact CG2-CD 4.45Å; N292-K570 WeakPolarHBondContact OD1-CE 3.43Å; N292-K570 PolarHBondContact OD1-NZ 2.9Å; Y295-K570 HydrophobicContact CD1-CD 4.34Å; Y295-K570 HydrophobicContact CD1-CG 4.14Å; Y295-K570 HydrophobicContact CD2-CG 4.45Å; Y295-K570 HydrophobicContact CG-CB 4.31Å; Y295-K570 HydrophobicContact CG-CG 4.02Å; I324-K570 HydrophobicContact CD1-CB 4.48Å; I324-K570 HydrophobicContact CD1-CG 3.85Å; I324-K570 HydrophobicContact CG1-CG 4.13Å; I324-K570 HydrophobicContact CG2-CG 4.21Å; L566-K570 WeakPolarHBondContact O-CG 3.23Å; L566-K570 PolarHBondContact O-N 3.09Å; I567-K570 PolarHBondContact O-N 3.12Å; E568-K570 VanDerWaalsContact C-N 3.34Å; E568-K570 PolarHBondContact O-N 3.26Å; K570-F573 WeakPolarHBondContact O-CB 3.3Å; K570-F573 PolarHBondContact O-N 2.98Å; K570-I574 WeakPolarHBondContact O-CG1 3.45Å; K570-I574 PolarHBondContact O-N 3.02Å
571M91.4Very high88.9Confident27 Ų2748.4 Ų48.413%0.13326%0.26CS..Hα-helixtrans-63.6-42.1177.2-73.2-63.6-74.200112.2L282 P284 I291 I567 E568 F573 I574 Q575L282-M571 HydrophobicContact CB-CE 3.72Å; L282-M571 HydrophobicContact CB-SD 4.28Å; L282-M571 HydrophobicContact CD1-CE 4.33Å; P284-M571 HydrophobicContact CG-CG 4.42Å; I291-M571 HydrophobicContact CD1-CG 4.39Å; I291-M571 HydrophobicContact CD1-SD 3.8Å; I291-M571 HydrophobicContact CG1-SD 3.89Å; I291-M571 HydrophobicContact CG2-CG 4.3Å; I291-M571 HydrophobicContact CG2-SD 3.98Å; I567-M571 HydrophobicContact CG2-CG 4.41Å; I567-M571 WeakPolarHBondContact O-CG 3.23Å; I567-M571 PolarHBondContact O-N 2.84Å; E568-M571 WeakPolarHBondContact O-CB 3.38Å; E568-M571 PolarHBondContact O-N 2.99Å; E568-M571 VanDerWaalsContact O-N 3.14Å; M571-F573 VanDerWaalsContact C-N 3.32Å; M571-F573 PolarHBondContact O-N 2.86Å; M571-I574 PolarHBondContact O-N 3.46Å; M571-I574 HydrophobicContact SD-CD1 4.47Å; M571-Q575 WeakPolarHBondContact O-CB 3.21Å; M571-Q575 VanDerWaalsContact O-CG 3.26Å; M571-Q575 WeakPolarHBondContact O-CG 3.45Å; M571-Q575 PolarHBondContact O-N 2.94Å
572R91.6Very high89.3Confident116 Ų11652.2 Ų52.244%0.43828%0.278SS..Hα-helixtrans-63.4-38.2174.8-68.2-60-170.1139.33.9112.1L320 M564 E568 A569 Q575 A576L320-R572 HydrophobicContact CD2-CB 4.24Å; M564-R572 HydrophobicContact CE-CG 4.14Å; M564-R572 HydrophobicContact SD-CB 4.41Å; M564-R572 HydrophobicContact SD-CG 3.84Å; E568-R572 HydrophobicContact CG-CG 4.41Å; E568-R572 WeakPolarHBondContact O-CG 3.27Å; E568-R572 PolarHBondContact O-N 2.77Å; A569-R572 PolarHBondContact O-N 2.8Å; R572-Q575 PolarHBondContact O-N 2.76Å; R572-A576 WeakPolarHBondContact O-CB 3.28Å; R572-A576 PolarHBondContact O-N 3.46Å
573F96.6Very high90.1Very high2 Ų251.8 Ų51.81%0.00927%0.269CS..Hα-helixtrans-60.4-48.5173.4-167.8-71.6000111Y295 A298 K299 I302 F317 L320 A569 K570 M571 Q575 A576 W577Y295-F573 HydrophobicContact CD2-CB 3.93Å; Y295-F573 AromaticContact CD2-CD1 3.74Å; Y295-F573 HydrophobicContact CD2-CD1 3.74Å; Y295-F573 HydrophobicContact CD2-CD2 4.12Å; Y295-F573 HydrophobicContact CD2-CE1 4.28Å; Y295-F573 AromaticContact CD2-CG 3.67Å; Y295-F573 HydrophobicContact CD2-CG 3.67Å; Y295-F573 HydrophobicContact CE2-CB 4.26Å; Y295-F573 HydrophobicContact CE2-CD1 4.08Å; Y295-F573 AromaticContact CE2-CD2 3.7Å; Y295-F573 HydrophobicContact CE2-CD2 3.7Å; Y295-F573 HydrophobicContact CE2-CE1 4.36Å; Y295-F573 HydrophobicContact CE2-CE2 4Å; Y295-F573 AromaticContact CE2-CG 3.75Å; Y295-F573 HydrophobicContact CE2-CG 3.75Å; Y295-F573 HydrophobicContact CE2-CZ 4.34Å; A298-F573 HydrophobicContact CB-CD1 4.23Å; A298-F573 HydrophobicContact CB-CE1 3.94Å; K299-F573 HydrophobicContact CB-CE1 4.3Å; K299-F573 HydrophobicContact CB-CZ 4.09Å; K299-F573 HydrophobicContact CG-CZ 4.44Å; I302-F573 HydrophobicContact CD1-CE1 3.68Å; I302-F573 HydrophobicContact CD1-CZ 3.79Å; F317-F573 HydrophobicContact CB-CE2 3.81Å; F317-F573 HydrophobicContact CB-CZ 4.15Å; F317-F573 HydrophobicContact CD1-CD1 4.14Å; F317-F573 AromaticContact CD1-CD2 3.83Å; F317-F573 HydrophobicContact CD1-CD2 3.83Å; F317-F573 AromaticContact CD1-CE1 3.89Å; F317-F573 HydrophobicContact CD1-CE1 3.89Å; F317-F573 AromaticContact CD1-CE2 3.56Å; F317-F573 HydrophobicContact CD1-CE2 3.56Å; F317-F573 HydrophobicContact CD1-CG 4.1Å; F317-F573 AromaticContact CD1-CZ 3.58Å; F317-F573 HydrophobicContact CD1-CZ 3.58Å; F317-F573 HydrophobicContact CE1-CD1 4.29Å; F317-F573 HydrophobicContact CE1-CE1 4.18Å; F317-F573 HydrophobicContact CE1-CZ 4.31Å; F317-F573 HydrophobicContact CG-CE2 4.11Å; F317-F573 HydrophobicContact CG-CZ 4.14Å; F317-F573 WeakPolarHBondContact O-CE2 3.47Å; L320-F573 HydrophobicContact CB-CD2 3.84Å; L320-F573 HydrophobicContact CD1-CB 4.11Å; L320-F573 HydrophobicContact CD1-CD2 4.27Å; A569-F573 PolarHBondContact O-N 3.33Å; K570-F573 WeakPolarHBondContact O-CB 3.3Å; K570-F573 PolarHBondContact O-N 2.98Å; M571-F573 VanDerWaalsContact C-N 3.32Å; M571-F573 PolarHBondContact O-N 2.86Å; F573-Q575 VanDerWaalsContact C-N 3.34Å; F573-Q575 PolarHBondContact O-N 3.39Å; F573-A576 PolarHBondContact O-N 2.67Å; F573-W577 WeakPolarHBondContact O-CB 3.2Å; F573-W577 PolarHBondContact O-N 2.78Å
574I95.3Very high90.7Very high1 Ų143.3 Ų43.31%0.00523%0.231CC..Hα-helixtrans-61.4-42.6177.7-66.3161.3000110.7I291 L294 K570 M571 W577 Q578I291-I574 HydrophobicContact CG2-CD1 4.09Å; L294-I574 HydrophobicContact CB-CD1 4.16Å; L294-I574 HydrophobicContact CD2-CD1 4.03Å; L294-I574 HydrophobicContact CD2-CG2 4.08Å; L294-I574 HydrophobicContact CG-CD1 3.98Å; L294-I574 HydrophobicContact CG-CG1 4.27Å; L294-I574 HydrophobicContact CG-CG2 4.45Å; K570-I574 WeakPolarHBondContact O-CG1 3.45Å; K570-I574 PolarHBondContact O-N 3.02Å; M571-I574 PolarHBondContact O-N 3.46Å; M571-I574 HydrophobicContact SD-CD1 4.47Å; I574-W577 HydrophobicContact CG2-CE3 4.33Å; I574-W577 WeakPolarHBondContact O-CB 3.43Å; I574-W577 PolarHBondContact O-N 3.28Å; I574-Q578 HydrophobicContact CG2-CG 4.42Å; I574-Q578 VanDerWaalsContact O-CG 3.29Å; I574-Q578 WeakPolarHBondContact O-CG 3.49Å; I574-Q578 PolarHBondContact O-N 3.21Å
575Q93.9Very high91.4Very high88 Ų8842.8 Ų42.841%0.41123%0.228SC..Hα-helixtrans-63-43.5177.8-73.4169.31.400112.5M571 R572 F573 W577 Q578 S579M571-Q575 WeakPolarHBondContact O-CB 3.21Å; M571-Q575 VanDerWaalsContact O-CG 3.26Å; M571-Q575 WeakPolarHBondContact O-CG 3.45Å; M571-Q575 PolarHBondContact O-N 2.94Å; R572-Q575 PolarHBondContact O-N 2.76Å; F573-Q575 VanDerWaalsContact C-N 3.34Å; F573-Q575 PolarHBondContact O-N 3.39Å; Q575-W577 VanDerWaalsContact C-N 3.31Å; Q575-W577 PolarHBondContact O-N 2.75Å; Q575-Q578 WeakPolarHBondContact O-CB 3.26Å; Q575-Q578 PolarHBondContact O-N 2.86Å; Q575-S579 PolarHBondContact O-N 3.46Å; Q575-S579 VanDerWaalsContact O-N 3.15Å
576A92.3Very high91.8Very high26 Ų2640 Ų4022%0.21521%0.209CC..Hα-helixtrans-64.6-37.7175.500000111.6F317 R572 F573 S579F317-A576 HydrophobicContact CE1-CB 3.63Å; F317-A576 HydrophobicContact CZ-CB 3.94Å; R572-A576 WeakPolarHBondContact O-CB 3.28Å; R572-A576 PolarHBondContact O-N 3.46Å; F573-A576 PolarHBondContact O-N 2.67Å; A576-S579 PolarHBondContact O-N 3.35Å; A576-S579 PolarHBondContact O-OG 2.53Å
577W95.8Very high92.3Very high4 Ų439.3 Ų39.32%0.01520%0.204CC..Hα-helixtrans-64.9-39173.3172.263.3000112.6Y277 F279 L294 A298 I302 F317 F573 I574 Q575 S579 L580 F583Y277-W577 AromaticContact CD1-CH2 3.73Å; Y277-W577 HydrophobicContact CD1-CH2 3.73Å; Y277-W577 HydrophobicContact CD1-CZ2 4.06Å; Y277-W577 AromaticContact CE1-CH2 3.46Å; Y277-W577 HydrophobicContact CE1-CH2 3.46Å; Y277-W577 VanDerWaalsContact CE1-CH2 3.46Å; Y277-W577 AromaticContact CE1-CZ2 3.51Å; Y277-W577 HydrophobicContact CE1-CZ2 3.51Å; F279-W577 HydrophobicContact CE2-CH2 4.42Å; F279-W577 AromaticContact CE2-CZ3 3.79Å; F279-W577 HydrophobicContact CE2-CZ3 3.79Å; F279-W577 HydrophobicContact CZ-CH2 4.17Å; F279-W577 AromaticContact CZ-CZ3 3.96Å; F279-W577 HydrophobicContact CZ-CZ3 3.96Å; L294-W577 HydrophobicContact CD1-CH2 4.3Å; L294-W577 HydrophobicContact CD1-CZ3 3.94Å; A298-W577 HydrophobicContact CB-CB 4.22Å; A298-W577 HydrophobicContact CB-CD2 3.49Å; A298-W577 VanDerWaalsContact CB-CD2 3.49Å; A298-W577 HydrophobicContact CB-CE3 3.65Å; A298-W577 HydrophobicContact CB-CG 3.76Å; A298-W577 HydrophobicContact CB-CH2 4.36Å; A298-W577 HydrophobicContact CB-CZ2 4.24Å; A298-W577 HydrophobicContact CB-CZ3 4.09Å; I302-W577 HydrophobicContact CD1-CB 4.4Å; F317-W577 HydrophobicContact CE1-CB 4.29Å; F317-W577 HydrophobicContact CZ-CB 4.4Å; F573-W577 WeakPolarHBondContact O-CB 3.2Å; F573-W577 PolarHBondContact O-N 2.78Å; I574-W577 HydrophobicContact CG2-CE3 4.33Å; I574-W577 WeakPolarHBondContact O-CB 3.43Å; I574-W577 PolarHBondContact O-N 3.28Å; Q575-W577 VanDerWaalsContact C-N 3.31Å; Q575-W577 PolarHBondContact O-N 2.75Å; W577-S579 VanDerWaalsContact C-N 3.25Å; W577-S579 PolarHBondContact O-N 3.46Å; W577-L580 WeakPolarHBondContact O-CB 3.24Å; W577-L580 WeakPolarHBondContact O-CG 3.44Å; W577-L580 PolarHBondContact O-N 2.91Å; W577-F583 AromaticContact CD2-CD2 3.85Å; W577-F583 HydrophobicContact CD2-CD2 3.85Å; W577-F583 AromaticContact CD2-CE2 3.74Å; W577-F583 HydrophobicContact CD2-CE2 3.74Å; W577-F583 AromaticContact CE2-CD2 3.81Å; W577-F583 AromaticContact CE2-CE2 3.83Å; W577-F583 HydrophobicContact CE3-CD2 4.15Å; W577-F583 AromaticContact CE3-CE2 3.56Å; W577-F583 HydrophobicContact CE3-CE2 3.56Å; W577-F583 HydrophobicContact CG-CD2 4.36Å; W577-F583 HydrophobicContact CH2-CD2 4.47Å; W577-F583 AromaticContact CH2-CE2 3.71Å; W577-F583 HydrophobicContact CH2-CE2 3.71Å; W577-F583 HydrophobicContact CZ2-CD2 4.16Å; W577-F583 AromaticContact CZ2-CE2 3.84Å; W577-F583 HydrophobicContact CZ2-CE2 3.84Å; W577-F583 HydrophobicContact CZ3-CD2 4.46Å; W577-F583 AromaticContact CZ3-CE2 3.56Å; W577-F583 HydrophobicContact CZ3-CE2 3.56Å; W577-F583 HydrophobicContact CZ3-CZ 4.37Å; W577-F583 WeakPolarHBondContact O-CD2 3.42Å
578Q93.6Very high92.7Very high73 Ų7336.9 Ų36.934%0.34119%0.192SC..Hα-helixtrans-65.3-25.7175.3-74.6176.8-36.500113.7I574 Q575 L580 F583I574-Q578 HydrophobicContact CG2-CG 4.42Å; I574-Q578 VanDerWaalsContact O-CG 3.29Å; I574-Q578 WeakPolarHBondContact O-CG 3.49Å; I574-Q578 PolarHBondContact O-N 3.21Å; Q575-Q578 WeakPolarHBondContact O-CB 3.26Å; Q575-Q578 PolarHBondContact O-N 2.86Å; Q578-L580 VanDerWaalsContact C-N 3.3Å; Q578-F583 HydrophobicContact CB-CD1 4.35Å; Q578-F583 HydrophobicContact CB-CE1 4.24Å; Q578-F583 HydrophobicContact CB-CE2 4.46Å; Q578-F583 HydrophobicContact CB-CZ 4.32Å; Q578-F583 HydrophobicContact CG-CD1 4.44Å; Q578-F583 HydrophobicContact CG-CD2 4.38Å; Q578-F583 HydrophobicContact CG-CE1 3.89Å; Q578-F583 HydrophobicContact CG-CE2 3.81Å; Q578-F583 HydrophobicContact CG-CZ 3.56Å
579S92.4Very high93Very high86 Ų8633.3 Ų33.360%0.60118%0.175SC*.THydrogen-bonded Turntrans-80.1-7.717758.90000114.5Q575 A576 W577Q575-S579 PolarHBondContact O-N 3.46Å; Q575-S579 VanDerWaalsContact O-N 3.15Å; A576-S579 PolarHBondContact O-N 3.35Å; A576-S579 PolarHBondContact O-OG 2.53Å; W577-S579 VanDerWaalsContact C-N 3.25Å; W577-S579 PolarHBondContact O-N 3.46Å
580L92.3Very high93.2Very high5 Ų533.3 Ų33.33%0.02618%0.175CC..SBendtrans-66.6143.2178.6-63.2177.5000111I307 C309 F317 W577 Q578 E582 F583I307-L580 HydrophobicContact CD1-CB 3.99Å; I307-L580 HydrophobicContact CD1-CD1 3.85Å; I307-L580 HydrophobicContact CG1-CD1 4.02Å; I307-L580 HydrophobicContact CG2-CD1 4.15Å; C309-L580 HydrophobicContact CB-CD1 4.17Å; C309-L580 HydrophobicContact CB-CD2 3.67Å; F317-L580 HydrophobicContact CE2-CD1 4.39Å; F317-L580 HydrophobicContact CE2-CD2 4.44Å; F317-L580 HydrophobicContact CZ-CD1 4.3Å; W577-L580 WeakPolarHBondContact O-CB 3.24Å; W577-L580 WeakPolarHBondContact O-CG 3.44Å; W577-L580 PolarHBondContact O-N 2.91Å; Q578-L580 VanDerWaalsContact C-N 3.3Å; L580-E582 VanDerWaalsContact C-N 3.34Å; L580-E582 PolarHBondContact O-N 3Å; L580-F583 HydrophobicContact CB-CB 4.42Å; L580-F583 WeakPolarHBondContact O-CB 3.4Å; L580-F583 PolarHBondContact O-N 3.06Å
581P88.8Confident93.2Very high99 Ų9938.8 Ų38.864%0.64320%0.196SC*.THydrogen-bonded Turntrans-58.6-40.8-174.7-26.835000114.6F583P581-F583 VanDerWaalsContact C-N 3.26Å; P581-F583 PolarHBondContact O-N 3.47Å
582E88.6Confident93.2Very high80 Ų8038 Ų3837%0.37419%0.192SC..THydrogen-bonded Turntrans-87.68.6-178.8-60.9-55.2124.700112.9I307 L580 G584I307-E582 HydrophobicContact CG1-CB 4.34Å; L580-E582 VanDerWaalsContact C-N 3.34Å; L580-E582 PolarHBondContact O-N 3Å; E582-G584 PolarHBondContact O-N 3.38Å
583F93.1Very high92.9Very high29 Ų2940.6 Ų40.613%0.12721%0.209CC..THydrogen-bonded Turntrans-61.2132.5-179.4172.4-97.7000111.6Y277 F279 I307 W577 Q578 L580 P581 I585Y277-F583 HydrophobicContact CD1-CD2 4.43Å; Y277-F583 AromaticContact CD1-CE2 3.67Å; Y277-F583 HydrophobicContact CD1-CE2 3.67Å; Y277-F583 AromaticContact CD1-CZ 3.84Å; Y277-F583 HydrophobicContact CD1-CZ 3.84Å; Y277-F583 HydrophobicContact CE1-CE2 4.41Å; Y277-F583 HydrophobicContact CG-CZ 4.36Å; F279-F583 HydrophobicContact CE2-CE2 4.42Å; F279-F583 AromaticContact CE2-CZ 3.95Å; F279-F583 HydrophobicContact CE2-CZ 3.95Å; I307-F583 HydrophobicContact CD1-CB 4.31Å; W577-F583 AromaticContact CD2-CD2 3.85Å; W577-F583 HydrophobicContact CD2-CD2 3.85Å; W577-F583 AromaticContact CD2-CE2 3.74Å; W577-F583 HydrophobicContact CD2-CE2 3.74Å; W577-F583 AromaticContact CE2-CD2 3.81Å; W577-F583 AromaticContact CE2-CE2 3.83Å; W577-F583 HydrophobicContact CE3-CD2 4.15Å; W577-F583 AromaticContact CE3-CE2 3.56Å; W577-F583 HydrophobicContact CE3-CE2 3.56Å; W577-F583 HydrophobicContact CG-CD2 4.36Å; W577-F583 HydrophobicContact CH2-CD2 4.47Å; W577-F583 AromaticContact CH2-CE2 3.71Å; W577-F583 HydrophobicContact CH2-CE2 3.71Å; W577-F583 HydrophobicContact CZ2-CD2 4.16Å; W577-F583 AromaticContact CZ2-CE2 3.84Å; W577-F583 HydrophobicContact CZ2-CE2 3.84Å; W577-F583 HydrophobicContact CZ3-CD2 4.46Å; W577-F583 AromaticContact CZ3-CE2 3.56Å; W577-F583 HydrophobicContact CZ3-CE2 3.56Å; W577-F583 HydrophobicContact CZ3-CZ 4.37Å; W577-F583 WeakPolarHBondContact O-CD2 3.42Å; Q578-F583 HydrophobicContact CB-CD1 4.35Å; Q578-F583 HydrophobicContact CB-CE1 4.24Å; Q578-F583 HydrophobicContact CB-CE2 4.46Å; Q578-F583 HydrophobicContact CB-CZ 4.32Å; Q578-F583 HydrophobicContact CG-CD1 4.44Å; Q578-F583 HydrophobicContact CG-CD2 4.38Å; Q578-F583 HydrophobicContact CG-CE1 3.89Å; Q578-F583 HydrophobicContact CG-CE2 3.81Å; Q578-F583 HydrophobicContact CG-CZ 3.56Å; L580-F583 HydrophobicContact CB-CB 4.42Å; L580-F583 WeakPolarHBondContact O-CB 3.4Å; L580-F583 PolarHBondContact O-N 3.06Å; P581-F583 VanDerWaalsContact C-N 3.26Å; P581-F583 PolarHBondContact O-N 3.47Å; F583-I585 VanDerWaalsContact C-N 3.31Å; F583-I585 PolarHBondContact O-N 2.9Å
584G92.6Very high91.9Very high5 Ų544.4 Ų44.45%0.05225%0.249CC..THydrogen-bonded Turntrans71.920.5171.200000115.1Y277 E582 A604Y277-G584 VanDerWaalsContact CG-CA 3.49Å; E582-G584 PolarHBondContact O-N 3.38Å; G584-A604 VanDerWaalsContact O-CA 3.29Å; G584-A604 WeakPolarHBondContact O-CA 3.41Å; G584-A604 WeakPolarHBondContact O-CB 3.48Å
585I95Very high91.1Very high19 Ų1945.1 Ų45.110%0.09726%0.256CS..  trans-99.4115.5173.5-53.9174.6000109.4F583 H587 A604 I609 M611F583-I585 VanDerWaalsContact C-N 3.31Å; F583-I585 PolarHBondContact O-N 2.9Å; I585-H587 PolarHBondContact O-CE1 2.97Å; I585-H587 PolarHBondContact O-ND1 3.28Å; I585-A604 HydrophobicContact CG1-CB 4.32Å; I585-I609 HydrophobicContact CD1-CD1 3.89Å; I585-I609 HydrophobicContact CG1-CD1 4.27Å; I585-M611 HydrophobicContact CG2-SD 4.03Å
586T95.7Very high90.4Very high7 Ų751 Ų514%0.04328%0.281CS..EExtended strand (participates in β ladder)trans-95.4119.7171.2-51.70000110N249 F588 G602 I603 F664N249-T586 HydrophobicContact CB-CG2 4.23Å; N249-T586 WeakPolarHBondContact ND2-CG2 3.36Å; T586-F588 HydrophobicContact CG2-CE2 3.63Å; T586-F588 HydrophobicContact CG2-CZ 3.7Å; T586-G602 CarbonylContact O-C 3.58Å; T586-G602 WeakPolarHBondContact O-CA 3.5Å; T586-I603 PolarHBondContact N-O 2.88Å; T586-I603 PolarHBondContact O-N 3.38Å; T586-F664 HydrophobicContact CG2-CE1 3.94Å; T586-F664 HydrophobicContact CG2-CE2 4.5Å; T586-F664 HydrophobicContact CG2-CZ 3.86Å
587H94.2Very high90.1Very high24 Ų2457.8 Ų57.811%0.11131%0.305CS..EExtended strand (participates in β ladder)trans-93.5135.8-173.7-55.490.9000112.2A246 N249 I585A246-H587 WeakPolarHBondContact CA-O 3.41Å; A246-H587 HydrophobicContact CB-CB 3.93Å; A246-H587 WeakPolarHBondContact CB-O 3.26Å; N249-H587 PolarHBondContact ND2-O 2.97Å; I585-H587 PolarHBondContact O-CE1 2.97Å; I585-H587 PolarHBondContact O-ND1 3.28Å
588F94.9Very high89.7Confident1 Ų161.4 Ų61.40%0.00432%0.322CS..EExtended strand (participates in β ladder)trans-130.2144.5171.2-59-88.2000110.8N249 T586 A590 L600 I601 I603 V656 V660 V661 F664N249-F588 HydrophobicContact CB-CD1 4.02Å; N249-F588 HydrophobicContact CB-CE1 3.54Å; N249-F588 HydrophobicContact CB-CZ 4.04Å; T586-F588 HydrophobicContact CG2-CE2 3.63Å; T586-F588 HydrophobicContact CG2-CZ 3.7Å; F588-A590 PolarHBondContact O-N 3.47Å; F588-L600 CarbonylContact O-C 3.54Å; F588-L600 VanDerWaalsContact O-CA 3.32Å; F588-L600 WeakPolarHBondContact O-CA 3.27Å; F588-I601 HydrophobicContact CB-CG2 3.72Å; F588-I601 PolarHBondContact N-O 3.4Å; F588-I601 PolarHBondContact O-N 3.34Å; F588-I603 HydrophobicContact CD2-CD1 3.84Å; F588-I603 HydrophobicContact CD2-CG1 4.05Å; F588-I603 HydrophobicContact CE2-CD1 3.58Å; F588-I603 HydrophobicContact CE2-CG1 3.99Å; F588-V656 HydrophobicContact CB-CG1 4.32Å; F588-V656 HydrophobicContact CD1-CB 4.34Å; F588-V656 HydrophobicContact CD1-CG1 4.01Å; F588-V656 HydrophobicContact CD1-CG2 3.99Å; F588-V656 HydrophobicContact CE1-CG2 4.25Å; F588-V660 HydrophobicContact CE1-CB 4.44Å; F588-V660 HydrophobicContact CE1-CG1 3.68Å; F588-V660 HydrophobicContact CZ-CG1 4.02Å; F588-V661 HydrophobicContact CB-CG2 4.24Å; F588-V661 HydrophobicContact CD1-CG2 3.94Å; F588-V661 HydrophobicContact CD2-CG2 4.05Å; F588-V661 HydrophobicContact CE1-CG2 4.29Å; F588-V661 HydrophobicContact CE2-CG2 4.41Å; F588-V661 HydrophobicContact CG-CG2 3.8Å; F588-F664 HydrophobicContact CE1-CE2 4.49Å; F588-F664 HydrophobicContact CE2-CD2 4.27Å; F588-F664 HydrophobicContact CE2-CG 4.44Å; F588-F664 AromaticContact CZ-CD2 3.61Å; F588-F664 HydrophobicContact CZ-CD2 3.61Å; F588-F664 AromaticContact CZ-CE2 3.65Å; F588-F664 HydrophobicContact CZ-CE2 3.65Å; F588-F664 HydrophobicContact CZ-CG 4.21Å; F588-F664 HydrophobicContact CZ-CZ 4.27Å
589I93.5Very high89.7Confident3 Ų358.8 Ų58.82%0.01531%0.31CS..EExtended strand (participates in β ladder)trans-75.1123.3175.5-55.2173.4000108.9L243 A246 K247 E598 L600 T654L243-I589 HydrophobicContact CD2-CD1 4.29Å; A246-I589 HydrophobicContact CB-CG1 3.95Å; K247-I589 HydrophobicContact CG-CD1 3.92Å; I589-E598 HydrophobicContact CG2-CB 4.14Å; I589-E598 HydrophobicContact CG2-CG 4.43Å; I589-L600 HydrophobicContact CG1-CD2 4.14Å; I589-T654 WeakPolarHBondContact CG2-OG1 3.27Å
590A93.4Very high89.8Confident0 Ų054.7 Ų54.70%028%0.281CS..EExtended strand (participates in β ladder)trans-139.9154.1-176.900000112.3F588 F592 E599 I601 F651 I652F588-A590 PolarHBondContact O-N 3.47Å; A590-F592 HydrophobicContact CB-CE2 4.12Å; A590-F592 HydrophobicContact CB-CZ 4.38Å; A590-E599 PolarHBondContact N-O 3.1Å; A590-E599 CarbonylContact O-C 3.59Å; A590-E599 PolarHBondContact O-N 3.25Å; A590-I601 HydrophobicContact CB-CB 4.07Å; A590-I601 HydrophobicContact CB-CG2 3.74Å; A590-F651 HydrophobicContact CB-CB 4.31Å; A590-F651 HydrophobicContact CB-CD2 3.94Å; A590-F651 HydrophobicContact CB-CG 4.46Å; A590-I652 CarbonylContact C-O 3.57Å; A590-I652 VanDerWaalsContact CA-O 3.32Å; A590-I652 WeakPolarHBondContact CA-O 3.25Å
591R92.2Very high89.9Confident120 Ų12054.5 Ų54.545%0.45328%0.28SS..EExtended strand (participates in β ladder)trans-114.5119.2170.4-170.5178.9-63.6171.12109.6F651 I652 T654R591-F651 WeakPolarHBondContact O-CA 3.3Å; R591-I652 PolarHBondContact N-O 2.87Å; R591-I652 PolarHBondContact O-N 3.26Å; R591-T654 HydrophobicContact CB-CG2 4.48Å
592F92.1Very high90.3Very high10 Ų1049.8 Ų49.84%0.04425%0.25CC..EExtended strand (participates in β ladder)trans-90.6156.1178.9-62.7-94.2000111.3A590 G594 G595 E599 I601 R610 L649 F651A590-F592 HydrophobicContact CB-CE2 4.12Å; A590-F592 HydrophobicContact CB-CZ 4.38Å; F592-G594 PolarHBondContact O-N 3Å; F592-G595 PolarHBondContact O-N 2.97Å; F592-E599 HydrophobicContact CD2-CB 3.88Å; F592-E599 HydrophobicContact CE2-CB 3.87Å; F592-I601 HydrophobicContact CE1-CD1 4.04Å; F592-I601 HydrophobicContact CZ-CB 3.97Å; F592-I601 HydrophobicContact CZ-CD1 3.86Å; F592-I601 HydrophobicContact CZ-CG1 4.5Å; F592-R610 HydrophobicContact CD1-CG 4.29Å; F592-R610 HydrophobicContact CD2-CG 3.97Å; F592-R610 HydrophobicContact CE1-CB 3.92Å; F592-R610 HydrophobicContact CE1-CG 3.95Å; F592-R610 HydrophobicContact CE2-CB 4.27Å; F592-R610 HydrophobicContact CE2-CG 3.65Å; F592-R610 HydrophobicContact CG-CG 4.29Å; F592-R610 HydrophobicContact CZ-CB 3.74Å; F592-R610 HydrophobicContact CZ-CG 3.63Å; F592-L649 HydrophobicContact CD1-CD1 3.92Å; F592-L649 HydrophobicContact CE1-CD1 3.83Å; F592-F651 HydrophobicContact CD1-CB 3.82Å; F592-F651 HydrophobicContact CE1-CB 3.91Å; F592-F651 HydrophobicContact CE1-CD1 4.39Å; F592-F651 HydrophobicContact CE1-CG 4.34Å; F592-F651 HydrophobicContact CG-CB 4.33Å; F592-F651 HydrophobicContact CZ-CB 4.46Å
593Q83.8Confident90.7Very high171 Ų17146 Ų4680%0.79923%0.232SC*.THydrogen-bonded Turntrans-57.7125.8175.5-169.7177.5-1.900110.9G595Q593-G595 VanDerWaalsContact C-N 3.3Å; Q593-G595 PolarHBondContact O-N 3.2Å
594G77.4Confident90.8Very high82 Ų8244.6 Ų44.685%0.84523%0.226SC*.THydrogen-bonded Turntrans83.6-6.9-176.500000115.3F592F592-G594 PolarHBondContact O-N 3Å
595G78.7Confident90.9Very high16 Ų1650.2 Ų50.217%0.16525%0.246CC..  trans-79127.4174.300000112F592 Q593F592-G595 PolarHBondContact O-N 2.97Å; Q593-G595 VanDerWaalsContact C-N 3.3Å; Q593-G595 PolarHBondContact O-N 3.2Å
596K77.7Confident90.9Very high212 Ų21252 Ų5292%0.92226%0.256SS*.SBendtrans-88.2-14.8174.2-68.8-174.5179-179.80113.4
597K86.1Confident90.9Very high168 Ų16854.7 Ų54.773%0.7327%0.266SS*.SBendtrans-116.8162.6-176.5-65-175.7-179.5-179.50110.4
598E88.6Confident91Very high79 Ų7953.6 Ų53.637%0.36926%0.26SS..  trans-70.8135.7167.3-63.6-171.4151.300109.5I589I589-E598 HydrophobicContact CG2-CB 4.14Å; I589-E598 HydrophobicContact CG2-CG 4.43Å
599E92.8Very high91.1Very high19 Ų1953.9 Ų53.99%0.08926%0.262CS..EExtended strand (participates in β ladder)trans-128.5-178.4180-66.1178.1-133.400108.3A590 F592 R610A590-E599 PolarHBondContact N-O 3.1Å; A590-E599 CarbonylContact O-C 3.59Å; A590-E599 PolarHBondContact O-N 3.25Å; F592-E599 HydrophobicContact CD2-CB 3.88Å; F592-E599 HydrophobicContact CE2-CB 3.87Å; E599-R610 IonicContact OE1-CZ 3.76Å; E599-R610 IonicContact OE1-NE 3.96Å; E599-R610 IonicContact OE1-NH2 2.75Å; E599-R610 PolarHBondContact OE1-NH2 2.95Å; E599-R610 IonicContact OE2-CZ 3.18Å; E599-R610 IonicContact OE2-NE 2.65Å; E599-R610 PolarHBondContact OE2-NE 2.81Å; E599-R610 IonicContact OE2-NH2 2.89Å; E599-R610 PolarHBondContact OE2-NH2 3.32Å
600L93.9Very high91.1Very high0 Ų056.4 Ų56.40%027%0.271CS..EExtended strand (participates in β ladder)trans-114.5140.6178.1-63.2174.3000110.9L242 A246 F588 I589 M611 A613L242-L600 HydrophobicContact CB-CD1 4Å; A246-L600 HydrophobicContact CB-CD2 3.88Å; F588-L600 CarbonylContact O-C 3.54Å; F588-L600 VanDerWaalsContact O-CA 3.32Å; F588-L600 WeakPolarHBondContact O-CA 3.27Å; I589-L600 HydrophobicContact CG1-CD2 4.14Å; L600-M611 HydrophobicContact CB-CB 4.11Å; L600-M611 PolarHBondContact N-O 2.81Å; L600-M611 PolarHBondContact O-N 3.31Å; L600-A613 HydrophobicContact CD1-CB 4.4Å; L600-A613 HydrophobicContact CG-CB 4.02Å
601I95.8Very high91.2Very high0 Ų056.5 Ų56.50%027%0.272CS..EExtended strand (participates in β ladder)trans-103.9113.3159.8-173.173.7000108.4F588 A590 F592 L608 I609 L649 F651F588-I601 HydrophobicContact CB-CG2 3.72Å; F588-I601 PolarHBondContact N-O 3.4Å; F588-I601 PolarHBondContact O-N 3.34Å; A590-I601 HydrophobicContact CB-CB 4.07Å; A590-I601 HydrophobicContact CB-CG2 3.74Å; F592-I601 HydrophobicContact CE1-CD1 4.04Å; F592-I601 HydrophobicContact CZ-CB 3.97Å; F592-I601 HydrophobicContact CZ-CD1 3.86Å; F592-I601 HydrophobicContact CZ-CG1 4.5Å; I601-L608 HydrophobicContact CD1-CB 4.3Å; I601-I609 CarbonylContact C-O 3.35Å; I601-I609 WeakPolarHBondContact CA-O 3.36Å; I601-I609 WeakPolarHBondContact CD1-O 3.45Å; I601-L649 HydrophobicContact CD1-CD2 4.49Å; I601-F651 HydrophobicContact CD1-CE1 4.45Å; I601-F651 HydrophobicContact CG1-CE1 4.38Å; I601-F651 HydrophobicContact CG1-CE2 4.44Å; I601-F651 HydrophobicContact CG1-CZ 4.2Å; I601-F651 HydrophobicContact CG2-CD2 4.27Å; I601-F651 HydrophobicContact CG2-CE2 3.98Å; I601-F651 HydrophobicContact CG2-CZ 4.5Å
602G95.9Very high91.2Very high0 Ų053.3 Ų53.30%026%0.264CS..EExtended strand (participates in β ladder)trans-88.2127.1170.800000110.2T586 L608 I609T586-G602 CarbonylContact O-C 3.58Å; T586-G602 WeakPolarHBondContact O-CA 3.5Å; G602-L608 CarbonylContact O-C 3.58Å; G602-L608 WeakPolarHBondContact O-CA 3.44Å; G602-I609 PolarHBondContact N-O 3.05Å; G602-I609 PolarHBondContact O-N 2.93Å
603I97.3Very high91Very high0 Ų053.3 Ų53.30%027%0.266CS..EExtended strand (participates in β ladder)trans-108.8121.7174.2-50.1-176.1000107.8T586 F588 L608 F624 V661 F664 Y668T586-I603 PolarHBondContact N-O 2.88Å; T586-I603 PolarHBondContact O-N 3.38Å; F588-I603 HydrophobicContact CD2-CD1 3.84Å; F588-I603 HydrophobicContact CD2-CG1 4.05Å; F588-I603 HydrophobicContact CE2-CD1 3.58Å; F588-I603 HydrophobicContact CE2-CG1 3.99Å; I603-L608 HydrophobicContact CB-CD2 4.21Å; I603-L608 HydrophobicContact CD1-CD2 4.47Å; I603-L608 HydrophobicContact CG1-CD2 3.86Å; I603-L608 HydrophobicContact CG2-CD2 3.9Å; I603-F624 HydrophobicContact CG2-CZ 4.18Å; I603-V661 HydrophobicContact CD1-CB 4.49Å; I603-V661 HydrophobicContact CD1-CG1 3.95Å; I603-F664 HydrophobicContact CD1-CB 3.81Å; I603-F664 HydrophobicContact CG2-CB 4.34Å; I603-Y668 HydrophobicContact CG2-CD2 3.82Å; I603-Y668 HydrophobicContact CG2-CE2 3.87Å
604A96Very high91.2Very high1 Ų150 Ų501%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-122.916817200000110.1G584 I585 N606 R607 F624G584-A604 VanDerWaalsContact O-CA 3.29Å; G584-A604 WeakPolarHBondContact O-CA 3.41Å; G584-A604 WeakPolarHBondContact O-CB 3.48Å; I585-A604 HydrophobicContact CG1-CB 4.32Å; A604-N606 PolarHBondContact O-N 3.02Å; A604-R607 HydrophobicContact CB-CG 4.04Å; A604-R607 PolarHBondContact N-O 2.93Å; A604-R607 PolarHBondContact O-N 3.1Å; A604-R607 VanDerWaalsContact O-O 3.1Å; A604-F624 WeakPolarHBondContact O-CE2 3.36Å
605Y94.1Very high91.7Very high122 Ų12250 Ų5048%0.47825%0.245SC..THydrogen-bonded Turntrans-57.8-23.3-170.682.1-80000115.6F624 Y668Y605-F624 WeakPolarHBondContact O-CD2 3.3Å; Y605-Y668 VanDerWaalsContact CA-CD1 3.43Å; Y605-Y668 VanDerWaalsContact CA-CE1 3.47Å
606N94.1Very high92Very high57 Ų5749.7 Ų49.731%0.30524%0.242SC..THydrogen-bonded Turntrans-124-0.7-176.864.4-3.9000114.3A604 F624A604-N606 PolarHBondContact O-N 3.02Å; N606-F624 PolarHBondContact O-N 3.47Å
607R95.5Very high92.6Very high63 Ų6344.5 Ų44.524%0.23822%0.224CC..EExtended strand (participates in β ladder)trans-160.3154.3-169.666.4-167.7-175.8-84.92.1113.7A604 I609 T621 W622A604-R607 HydrophobicContact CB-CG 4.04Å; A604-R607 PolarHBondContact N-O 2.93Å; A604-R607 PolarHBondContact O-N 3.1Å; A604-R607 VanDerWaalsContact O-O 3.1Å; R607-I609 HydrophobicContact CG-CD1 4.17Å; R607-I609 HydrophobicContact CG-CG1 3.95Å; R607-T621 HydrophobicContact CB-CG2 4.05Å; R607-T621 HydrophobicContact CG-CG2 4.29Å; R607-W622 CarbonylContact C-O 3.48Å; R607-W622 WeakPolarHBondContact CA-O 3.38Å; R607-W622 VanDerWaalsContact CB-O 3.26Å; R607-W622 WeakPolarHBondContact CB-O 3.4Å
608L97.3Very high92.9Very high1 Ų139.7 Ų39.71%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-103.5139.4164.2-61.8-179.9000109.2I601 G602 I603 T621 W622 F624 V641 F643 L649 I665I601-L608 HydrophobicContact CD1-CB 4.3Å; G602-L608 CarbonylContact O-C 3.58Å; G602-L608 WeakPolarHBondContact O-CA 3.44Å; I603-L608 HydrophobicContact CB-CD2 4.21Å; I603-L608 HydrophobicContact CD1-CD2 4.47Å; I603-L608 HydrophobicContact CG1-CD2 3.86Å; I603-L608 HydrophobicContact CG2-CD2 3.9Å; L608-T621 CarbonylContact O-C 3.46Å; L608-T621 WeakPolarHBondContact O-CA 3.48Å; L608-W622 PolarHBondContact N-O 3.32Å; L608-W622 PolarHBondContact O-N 3.04Å; L608-F624 HydrophobicContact CD1-CE1 4.14Å; L608-F624 HydrophobicContact CD2-CE1 3.73Å; L608-F624 HydrophobicContact CD2-CZ 3.84Å; L608-F624 HydrophobicContact CG-CD1 4.4Å; L608-F624 HydrophobicContact CG-CE1 3.58Å; L608-F624 HydrophobicContact CG-CZ 4.17Å; L608-V641 HydrophobicContact CD1-CG1 4.5Å; L608-V641 HydrophobicContact CD1-CG2 4.02Å; L608-F643 HydrophobicContact CD1-CZ 4.33Å; L608-L649 HydrophobicContact CB-CD2 4.38Å; L608-L649 HydrophobicContact CD1-CD2 3.93Å; L608-I665 HydrophobicContact CD1-CD1 4.49Å; L608-I665 HydrophobicContact CD2-CG1 4.38Å
609I96.2Very high93.1Very high7 Ų740.3 Ų40.34%0.03622%0.221CC..EExtended strand (participates in β ladder)trans-131.1123.7-175.2-43.4173.6000108.7I585 I601 G602 R607 M611 A618 K620 T621I585-I609 HydrophobicContact CD1-CD1 3.89Å; I585-I609 HydrophobicContact CG1-CD1 4.27Å; I601-I609 CarbonylContact C-O 3.35Å; I601-I609 WeakPolarHBondContact CA-O 3.36Å; I601-I609 WeakPolarHBondContact CD1-O 3.45Å; G602-I609 PolarHBondContact N-O 3.05Å; G602-I609 PolarHBondContact O-N 2.93Å; R607-I609 HydrophobicContact CG-CD1 4.17Å; R607-I609 HydrophobicContact CG-CG1 3.95Å; I609-M611 HydrophobicContact CB-CG 4.07Å; I609-M611 HydrophobicContact CB-SD 4.23Å; I609-M611 HydrophobicContact CG2-CG 3.56Å; I609-M611 HydrophobicContact CG2-SD 4.15Å; I609-A618 HydrophobicContact CG2-CB 3.65Å; I609-K620 CarbonylContact C-O 3.57Å; I609-K620 WeakPolarHBondContact CA-O 3.47Å; I609-T621 HydrophobicContact CG1-CG2 4.41Å
610R95.4Very high93.1Very high56 Ų5644.7 Ų44.721%0.21124%0.24CC..EExtended strand (participates in β ladder)trans-84123.5165.9172.9178.3-178-178.73.9107.6F592 E599 I619 K620 W622F592-R610 HydrophobicContact CD1-CG 4.29Å; F592-R610 HydrophobicContact CD2-CG 3.97Å; F592-R610 HydrophobicContact CE1-CB 3.92Å; F592-R610 HydrophobicContact CE1-CG 3.95Å; F592-R610 HydrophobicContact CE2-CB 4.27Å; F592-R610 HydrophobicContact CE2-CG 3.65Å; F592-R610 HydrophobicContact CG-CG 4.29Å; F592-R610 HydrophobicContact CZ-CB 3.74Å; F592-R610 HydrophobicContact CZ-CG 3.63Å; E599-R610 IonicContact OE1-CZ 3.76Å; E599-R610 IonicContact OE1-NE 3.96Å; E599-R610 IonicContact OE1-NH2 2.75Å; E599-R610 PolarHBondContact OE1-NH2 2.95Å; E599-R610 IonicContact OE2-CZ 3.18Å; E599-R610 IonicContact OE2-NE 2.65Å; E599-R610 PolarHBondContact OE2-NE 2.81Å; E599-R610 IonicContact OE2-NH2 2.89Å; E599-R610 PolarHBondContact OE2-NH2 3.32Å; R610-I619 HydrophobicContact CG-CB 4.18Å; R610-I619 HydrophobicContact CG-CD1 4.31Å; R610-I619 WeakPolarHBondContact O-CB 3.45Å; R610-I619 PolarHBondContact O-N 3Å; R610-K620 HydrophobicContact CB-CB 4.42Å; R610-K620 PolarHBondContact N-O 2.69Å; R610-K620 PolarHBondContact O-N 2.8Å; R610-W622 HydrophobicContact CB-CH2 3.85Å; R610-W622 HydrophobicContact CB-CZ3 3.61Å
611M93.9Very high93.2Very high3 Ų347.9 Ų47.92%0.01526%0.259CS..EExtended strand (participates in β ladder)trans-126.8147.3-173.2-58.8168.277.300110.8I585 L600 I609 G616 D617I585-M611 HydrophobicContact CG2-SD 4.03Å; L600-M611 HydrophobicContact CB-CB 4.11Å; L600-M611 PolarHBondContact N-O 2.81Å; L600-M611 PolarHBondContact O-N 3.31Å; I609-M611 HydrophobicContact CB-CG 4.07Å; I609-M611 HydrophobicContact CB-SD 4.23Å; I609-M611 HydrophobicContact CG2-CG 3.56Å; I609-M611 HydrophobicContact CG2-SD 4.15Å; M611-G616 WeakPolarHBondContact CE-O 3.5Å; M611-D617 VanDerWaalsContact CA-O 3.25Å; M611-D617 WeakPolarHBondContact CA-O 3.4Å
612D91.9Very high93.2Very high52 Ų5248.9 Ų48.928%0.27826%0.263SS..  trans-70133.1171.6-174.9-89.5000110S614 T615 G616 D617 I619D612-S614 VanDerWaalsContact C-N 3.28Å; D612-S614 PolarHBondContact O-N 3.1Å; D612-S614 WeakPolarHBondContact OD1-CA 3.46Å; D612-S614 WeakPolarHBondContact OD1-CB 3.49Å; D612-S614 PolarHBondContact OD1-N 3.37Å; D612-S614 PolarHBondContact OD1-OG 2.83Å; D612-T615 PolarHBondContact OD1-N 2.89Å; D612-G616 VanDerWaalsContact O-CA 3.26Å; D612-G616 WeakPolarHBondContact O-CA 3.15Å; D612-G616 PolarHBondContact O-N 3.32Å; D612-D617 PolarHBondContact N-O 3.47Å; D612-I619 HydrophobicContact CB-CD1 4.2Å
613A89.5Confident93.2Very high10 Ų1057 Ų578%0.08329%0.294CS..THydrogen-bonded Turntrans-74.3-18.4-174.800000113.9L243 L600L243-A613 HydrophobicContact CD1-CB 3.75Å; L243-A613 WeakPolarHBondContact CD1-O 3.44Å; L243-A613 HydrophobicContact CD2-CB 4.43Å; L243-A613 HydrophobicContact CG-CB 4.06Å; L600-A613 HydrophobicContact CD1-CB 4.4Å; L600-A613 HydrophobicContact CG-CB 4.02Å
614S87.7Confident93Very high101 Ų10157.9 Ų57.971%0.70630%0.297SS*.THydrogen-bonded Turntrans-94.6-42.5-178.6690000112.8D612D612-S614 VanDerWaalsContact C-N 3.28Å; D612-S614 PolarHBondContact O-N 3.1Å; D612-S614 WeakPolarHBondContact OD1-CA 3.46Å; D612-S614 WeakPolarHBondContact OD1-CB 3.49Å; D612-S614 PolarHBondContact OD1-N 3.37Å; D612-S614 PolarHBondContact OD1-OG 2.83Å
615T86.4Confident92.9Very high82 Ų8262.4 Ų62.450%0.50333%0.329SS..THydrogen-bonded Turntrans-96.4-25.9-178.467.40000112.9D612 D617D612-T615 PolarHBondContact OD1-N 2.89Å; T615-D617 VanDerWaalsContact C-N 3.25Å; T615-D617 WeakPolarHBondContact CB-OD2 3.37Å; T615-D617 WeakPolarHBondContact OG1-CB 3.31Å; T615-D617 PolarHBondContact OG1-N 3.05Å; T615-D617 PolarHBondContact OG1-OD2 2.8Å
616G86.1Confident92.9Very high10 Ų1060.4 Ų60.410%0.10333%0.326CS..  trans79.83.4-170.400000113.7L242 M611 D612L242-G616 VanDerWaalsContact CD1-CA 3.44Å; M611-G616 WeakPolarHBondContact CE-O 3.5Å; D612-G616 VanDerWaalsContact O-CA 3.26Å; D612-G616 WeakPolarHBondContact O-CA 3.15Å; D612-G616 PolarHBondContact O-N 3.32Å
617D89.4Confident92.9Very high104 Ų10459 Ų5956%0.55632%0.319SS*.  trans-70.3140.8-176.9-64.2-46.3000112M611 D612 T615 I619M611-D617 VanDerWaalsContact CA-O 3.25Å; M611-D617 WeakPolarHBondContact CA-O 3.4Å; D612-D617 PolarHBondContact N-O 3.47Å; T615-D617 VanDerWaalsContact C-N 3.25Å; T615-D617 WeakPolarHBondContact CB-OD2 3.37Å; T615-D617 WeakPolarHBondContact OG1-CB 3.31Å; T615-D617 PolarHBondContact OG1-N 3.05Å; T615-D617 PolarHBondContact OG1-OD2 2.8Å; D617-I619 PolarHBondContact O-N 3.47Å
618A92.5Very high92.8Very high67 Ų6763.2 Ų63.255%0.55434%0.339SS*.EExtended strand (participates in β ladder)trans-70.7114.5174.300000111.3I609I609-A618 HydrophobicContact CG2-CB 3.65Å
619I93.3Very high92.6Very high92 Ų9268.4 Ų68.447%0.47236%0.363SS..EExtended strand (participates in β ladder)trans-83.5-45.5176.4-57174.6000110.3R610 D612 D617R610-I619 HydrophobicContact CG-CB 4.18Å; R610-I619 HydrophobicContact CG-CD1 4.31Å; R610-I619 WeakPolarHBondContact O-CB 3.45Å; R610-I619 PolarHBondContact O-N 3Å; D612-I619 HydrophobicContact CB-CD1 4.2Å; D617-I619 PolarHBondContact O-N 3.47Å
620K93.6Very high92.5Very high110 Ų11070.5 Ų70.548%0.47837%0.37SS..EExtended strand (participates in β ladder)trans-154.1145-178.6-170.5165.9176.9178.60111.3I609 R610 W622I609-K620 CarbonylContact C-O 3.57Å; I609-K620 WeakPolarHBondContact CA-O 3.47Å; R610-K620 HydrophobicContact CB-CB 4.42Å; R610-K620 PolarHBondContact N-O 2.69Å; R610-K620 PolarHBondContact O-N 2.8Å; K620-W622 HydrophobicContact CB-CH2 3.72Å; K620-W622 HydrophobicContact CB-CZ2 4.23Å; K620-W622 HydrophobicContact CB-CZ3 4.01Å; K620-W622 HydrophobicContact CD-CH2 3.8Å; K620-W622 HydrophobicContact CD-CZ2 3.42Å; K620-W622 VanDerWaalsContact CD-CZ2 3.42Å; K620-W622 HydrophobicContact CG-CD2 4.44Å; K620-W622 HydrophobicContact CG-CE3 4.46Å; K620-W622 HydrophobicContact CG-CH2 3.68Å; K620-W622 HydrophobicContact CG-CZ2 3.66Å; K620-W622 HydrophobicContact CG-CZ3 4.09Å; K620-W622 WeakPolarHBondContact O-CZ3 3.44Å
621T95.4Very high92.3Very high67 Ų6772.6 Ų72.641%0.41139%0.386SS..EExtended strand (participates in β ladder)trans-128.3137.1-175.3-58.20000110.9R607 L608 I609R607-T621 HydrophobicContact CB-CG2 4.05Å; R607-T621 HydrophobicContact CG-CG2 4.29Å; L608-T621 CarbonylContact O-C 3.46Å; L608-T621 WeakPolarHBondContact O-CA 3.48Å; I609-T621 HydrophobicContact CG1-CG2 4.41Å
622W96.4Very high92.2Very high21 Ų2173.1 Ų73.18%0.0839%0.389CS..EExtended strand (participates in β ladder)trans-123.9134.7174.6-59.6-101.8000110R607 L608 R610 K620 F643 L649R607-W622 CarbonylContact C-O 3.48Å; R607-W622 WeakPolarHBondContact CA-O 3.38Å; R607-W622 VanDerWaalsContact CB-O 3.26Å; R607-W622 WeakPolarHBondContact CB-O 3.4Å; L608-W622 PolarHBondContact N-O 3.32Å; L608-W622 PolarHBondContact O-N 3.04Å; R610-W622 HydrophobicContact CB-CH2 3.85Å; R610-W622 HydrophobicContact CB-CZ3 3.61Å; K620-W622 HydrophobicContact CB-CH2 3.72Å; K620-W622 HydrophobicContact CB-CZ2 4.23Å; K620-W622 HydrophobicContact CB-CZ3 4.01Å; K620-W622 HydrophobicContact CD-CH2 3.8Å; K620-W622 HydrophobicContact CD-CZ2 3.42Å; K620-W622 VanDerWaalsContact CD-CZ2 3.42Å; K620-W622 HydrophobicContact CG-CD2 4.44Å; K620-W622 HydrophobicContact CG-CE3 4.46Å; K620-W622 HydrophobicContact CG-CH2 3.68Å; K620-W622 HydrophobicContact CG-CZ2 3.66Å; K620-W622 HydrophobicContact CG-CZ3 4.09Å; K620-W622 WeakPolarHBondContact O-CZ3 3.44Å; W622-F643 HydrophobicContact CB-CD1 4.37Å; W622-F643 HydrophobicContact CB-CE1 3.66Å; W622-F643 HydrophobicContact CB-CE2 3.83Å; W622-F643 HydrophobicContact CB-CZ 3.34Å; W622-F643 AromaticContact CD1-CD2 3.81Å; W622-F643 AromaticContact CD1-CE2 3.59Å; W622-F643 HydrophobicContact CG-CD2 4.44Å; W622-F643 HydrophobicContact CG-CE1 4.5Å; W622-F643 AromaticContact CG-CE2 3.84Å; W622-F643 HydrophobicContact CG-CE2 3.84Å; W622-F643 AromaticContact CG-CZ 3.88Å; W622-F643 HydrophobicContact CG-CZ 3.88Å; W622-L649 HydrophobicContact CD2-CD2 3.97Å; W622-L649 HydrophobicContact CE3-CD2 3.89Å; W622-L649 HydrophobicContact CG-CD2 4.45Å; W622-L649 HydrophobicContact CH2-CD1 3.71Å; W622-L649 HydrophobicContact CH2-CD2 4.5Å; W622-L649 HydrophobicContact CZ2-CB 4.45Å; W622-L649 HydrophobicContact CZ2-CD1 3.76Å; W622-L649 HydrophobicContact CZ2-CG 4.46Å; W622-L649 HydrophobicContact CZ3-CD1 4.12Å; W622-L649 HydrophobicContact CZ3-CD2 4.17Å
623R95.2Very high92.1Very high172 Ų17273.7 Ų73.765%0.64939%0.392SS*.EExtended strand (participates in β ladder)trans-94.7137.7-176.2-64.4-175.8178.3-175.2-0.7111.4S625 N626 F643R623-S625 PolarHBondContact O-N 3.48Å; R623-N626 PolarHBondContact O-N 3.45Å; R623-N626 VanDerWaalsContact O-N 3.16Å; R623-F643 WeakPolarHBondContact O-CE1 3.48Å
624F93.6Very high91.9Very high17 Ų1777.1 Ų77.18%0.07540%0.403CS..G310 helixtrans-63.3-27175.7-73.3-28.8000113.3I603 A604 Y605 N606 L608 N626 M627 I665 Y668 I669I603-F624 HydrophobicContact CG2-CZ 4.18Å; A604-F624 WeakPolarHBondContact O-CE2 3.36Å; Y605-F624 WeakPolarHBondContact O-CD2 3.3Å; N606-F624 PolarHBondContact O-N 3.47Å; L608-F624 HydrophobicContact CD1-CE1 4.14Å; L608-F624 HydrophobicContact CD2-CE1 3.73Å; L608-F624 HydrophobicContact CD2-CZ 3.84Å; L608-F624 HydrophobicContact CG-CD1 4.4Å; L608-F624 HydrophobicContact CG-CE1 3.58Å; L608-F624 HydrophobicContact CG-CZ 4.17Å; F624-N626 PolarHBondContact O-N 3.4Å; F624-N626 VanDerWaalsContact O-N 3.08Å; F624-M627 HydrophobicContact CD1-CE 4.02Å; F624-M627 HydrophobicContact CD1-SD 3.95Å; F624-M627 HydrophobicContact CE1-CE 4.41Å; F624-M627 HydrophobicContact CE1-SD 4.23Å; F624-M627 VanDerWaalsContact O-CB 3.3Å; F624-M627 WeakPolarHBondContact O-CB 3.49Å; F624-M627 PolarHBondContact O-N 2.84Å; F624-I665 HydrophobicContact CE1-CG2 4.4Å; F624-Y668 HydrophobicContact CE2-CD2 4.42Å; F624-Y668 HydrophobicContact CE2-CG 4.41Å; F624-I669 HydrophobicContact CB-CD1 4.2Å; F624-I669 HydrophobicContact CD2-CD1 4.45Å; F624-I669 HydrophobicContact CG-CD1 4.28Å
625S93.1Very high91.8Very high96 Ų9680.6 Ų80.667%0.67141%0.408SS*.G310 helixtrans-56.2-27.2174.661.40000113.6R623R623-S625 PolarHBondContact O-N 3.48Å
626N94.4Very high91.8Very high80 Ų8080.7 Ų80.743%0.42841%0.405SS..G310 helixtrans-100.6-1.7-178.5-62.59.3000111.7R623 F624 F643 A644R623-N626 PolarHBondContact O-N 3.45Å; R623-N626 VanDerWaalsContact O-N 3.16Å; F624-N626 PolarHBondContact O-N 3.4Å; F624-N626 VanDerWaalsContact O-N 3.08Å; N626-F643 HydrophobicContact CB-CD1 4.3Å; N626-F643 CarbonylContact O-C 3.53Å; N626-F643 WeakPolarHBondContact O-CA 3.29Å; N626-A644 HydrophobicContact CB-CB 4.23Å; N626-A644 PolarHBondContact O-N 3.06Å
627M94.3Very high92Very high28 Ų2885.2 Ų85.214%0.13842%0.421CS..EExtended strand (participates in β ladder)trans-74130.3-178.1-172.3170.271.800109.7F624 W630 V641 F643 I665 I669F624-M627 HydrophobicContact CD1-CE 4.02Å; F624-M627 HydrophobicContact CD1-SD 3.95Å; F624-M627 HydrophobicContact CE1-CE 4.41Å; F624-M627 HydrophobicContact CE1-SD 4.23Å; F624-M627 VanDerWaalsContact O-CB 3.3Å; F624-M627 WeakPolarHBondContact O-CB 3.49Å; F624-M627 PolarHBondContact O-N 2.84Å; M627-W630 HydrophobicContact CE-CE3 3.84Å; M627-W630 HydrophobicContact CE-CZ3 3.9Å; M627-W630 HydrophobicContact SD-CE3 4.19Å; M627-V641 HydrophobicContact CG-CG1 3.66Å; M627-V641 HydrophobicContact SD-CG1 3.53Å; M627-V641 VanDerWaalsContact SD-CG1 3.53Å; M627-F643 HydrophobicContact CB-CD1 4.05Å; M627-F643 HydrophobicContact CB-CE1 3.97Å; M627-F643 HydrophobicContact CG-CE1 4.36Å; M627-I665 HydrophobicContact CE-CG2 3.73Å; M627-I665 HydrophobicContact SD-CG2 3.95Å; M627-I669 HydrophobicContact CE-CD1 3.55Å; M627-I669 HydrophobicContact CE-CG1 3.57Å
628K93.9Very high92.1Very high152 Ų15282.6 Ų82.666%0.66141%0.407SS*.EExtended strand (participates in β ladder)trans-96.7-50.5176.9-68.1-178173.6175.20111.1E642K628-E642 PolarHBondContact N-O 3.41Å
629Q92.8Very high92.2Very high110 Ų11079.4 Ų79.451%0.51438%0.38SS..EExtended strand (participates in β ladder)trans-160.1164.9-178.561.4-178.725.400110.2E642Q629-E642 HydrophobicContact CG-CB 4.15Å; Q629-E642 HydrophobicContact CG-CG 4.43Å; Q629-E642 PolarHBondContact NE2-OE2 3.1Å; Q629-E642 PolarHBondContact O-N 3.41Å
630W93.8Very high92.2Very high51 Ų5176.1 Ų76.119%0.19336%0.364CS..EExtended strand (participates in β ladder)trans-133.7149167.367.8100.4000109.8M627 T640 V641 H662 I665 L690M627-W630 HydrophobicContact CE-CE3 3.84Å; M627-W630 HydrophobicContact CE-CZ3 3.9Å; M627-W630 HydrophobicContact SD-CE3 4.19Å; W630-T640 CarbonylContact C-O 3.49Å; W630-T640 VanDerWaalsContact CA-O 3.28Å; W630-T640 WeakPolarHBondContact CA-O 3.34Å; W630-V641 HydrophobicContact CB-CB 4.42Å; W630-V641 HydrophobicContact CB-CG1 4.34Å; W630-V641 HydrophobicContact CB-CG2 4.03Å; W630-H662 AromaticContact CD1-ND1 3.66Å; W630-H662 AromaticContact NE1-CE1 3.32Å; W630-H662 PolarHBondContact NE1-CE1 2.8Å; W630-H662 VanDerWaalsContact NE1-CE1 3.32Å; W630-H662 AromaticContact NE1-CG 3.91Å; W630-H662 AromaticContact NE1-ND1 2.95Å; W630-H662 PolarHBondContact NE1-ND1 3.31Å; W630-I665 HydrophobicContact CD2-CG2 3.83Å; W630-I665 HydrophobicContact CE3-CG2 3.9Å; W630-I665 HydrophobicContact CG-CG2 4.33Å; W630-I665 HydrophobicContact CH2-CG2 4.38Å; W630-I665 HydrophobicContact CZ2-CG2 4.29Å; W630-I665 HydrophobicContact CZ3-CG2 4.19Å; W630-L690 HydrophobicContact CH2-CD2 4.35Å; W630-L690 WeakPolarHBondContact CZ2-O 3.39Å
631N91.4Very high92.3Very high100 Ų10070.9 Ų70.954%0.53534%0.342SS..EExtended strand (participates in β ladder)trans-125.7142.6176.8-179.259.5000109.5T640N631-T640 PolarHBondContact N-O 3.49Å; N631-T640 PolarHBondContact O-N 3.1Å
632V90.8Very high92.4Very high14 Ų1469.9 Ų69.99%0.08533%0.332CS..EExtended strand (participates in β ladder)trans-117.2117176.5-173.10000108.5W634 V639 C658 H662V632-W634 HydrophobicContact CB-CD2 4.5Å; V632-W634 HydrophobicContact CB-CH2 4.15Å; V632-W634 HydrophobicContact CB-CZ2 3.94Å; V632-W634 HydrophobicContact CG1-CD2 3.88Å; V632-W634 HydrophobicContact CG1-CE3 3.72Å; V632-W634 HydrophobicContact CG1-CH2 3.73Å; V632-W634 HydrophobicContact CG1-CZ2 3.9Å; V632-W634 HydrophobicContact CG1-CZ3 3.62Å; V632-V639 HydrophobicContact CG1-CG2 4.4Å; V632-V639 HydrophobicContact CG2-CG2 4.31Å; V632-C658 HydrophobicContact CG1-CB 3.75Å; V632-H662 HydrophobicContact CG2-CB 4.07Å
633N89.7Confident92.3Very high64 Ų6469.3 Ų69.334%0.34233%0.33SS..EExtended strand (participates in β ladder)trans-90104.4169.3-173.7-30.4000108.8E635 I636 K637 M638N633-E635 VanDerWaalsContact C-N 3.33Å; N633-E635 PolarHBondContact O-N 3.1Å; N633-E635 WeakPolarHBondContact OD1-CB 3.1Å; N633-E635 PolarHBondContact OD1-N 2.87Å; N633-E635 VanDerWaalsContact OD1-N 3.12Å; N633-I636 HydrophobicContact CB-CD1 4.31Å; N633-I636 HydrophobicContact CB-CG1 3.84Å; N633-I636 VanDerWaalsContact CG-CG1 3.48Å; N633-I636 PolarHBondContact OD1-N 3.43Å; N633-K637 VanDerWaalsContact O-CA 3.31Å; N633-K637 WeakPolarHBondContact O-CA 3.33Å; N633-K637 PolarHBondContact O-N 3.33Å; N633-M638 PolarHBondContact N-O 2.61Å; N633-M638 PolarHBondContact O-N 3.4Å
634W85.6Confident92.2Very high81 Ų8162.4 Ų62.431%0.30731%0.31SS..THydrogen-bonded Turntrans-66.6-30.5-176.7-56.2109.7000113.9V632 C658 K659 V695V632-W634 HydrophobicContact CB-CD2 4.5Å; V632-W634 HydrophobicContact CB-CH2 4.15Å; V632-W634 HydrophobicContact CB-CZ2 3.94Å; V632-W634 HydrophobicContact CG1-CD2 3.88Å; V632-W634 HydrophobicContact CG1-CE3 3.72Å; V632-W634 HydrophobicContact CG1-CH2 3.73Å; V632-W634 HydrophobicContact CG1-CZ2 3.9Å; V632-W634 HydrophobicContact CG1-CZ3 3.62Å; W634-C658 HydrophobicContact CE3-CB 4.4Å; W634-C658 HydrophobicContact CZ3-CB 3.96Å; W634-K659 HydrophobicContact CE3-CG 4.36Å; W634-K659 HydrophobicContact CH2-CB 4.45Å; W634-K659 HydrophobicContact CH2-CG 3.53Å; W634-K659 HydrophobicContact CZ3-CB 4.31Å; W634-K659 HydrophobicContact CZ3-CD 4.43Å; W634-K659 HydrophobicContact CZ3-CG 3.33Å; W634-V695 HydrophobicContact CZ2-CG1 4.17Å; W634-V695 HydrophobicContact CZ2-CG2 4.16Å
635E86.1Confident92Very high174 Ų17468.3 Ų68.381%0.81334%0.343SS*.THydrogen-bonded Turntrans-66.2-46.4-177.9-172.264-156.700111N633N633-E635 VanDerWaalsContact C-N 3.33Å; N633-E635 PolarHBondContact O-N 3.1Å; N633-E635 WeakPolarHBondContact OD1-CB 3.1Å; N633-E635 PolarHBondContact OD1-N 2.87Å; N633-E635 VanDerWaalsContact OD1-N 3.12Å
636I87.4Confident91.7Very high84 Ų8472.5 Ų72.543%0.43135%0.352SS..THydrogen-bonded Turntrans-101.15.5-179.560.4167.4000113.3N633 M638N633-I636 HydrophobicContact CB-CD1 4.31Å; N633-I636 HydrophobicContact CB-CG1 3.84Å; N633-I636 VanDerWaalsContact CG-CG1 3.48Å; N633-I636 PolarHBondContact OD1-N 3.43Å; I636-M638 VanDerWaalsContact C-N 3.26Å; I636-M638 HydrophobicContact CD1-CB 3.68Å; I636-M638 HydrophobicContact CD1-CE 3.68Å; I636-M638 HydrophobicContact CD1-CG 4.42Å; I636-M638 HydrophobicContact CD1-SD 3.9Å; I636-M638 HydrophobicContact CG1-CB 3.73Å; I636-M638 PolarHBondContact O-N 3.25Å
637K89.4Confident91.5Very high105 Ų10571.5 Ų71.546%0.45735%0.348SS..THydrogen-bonded Turntrans50.843.8-177.9-60.6-177.5179.2-176.40113N633 I652 C653 C658N633-K637 VanDerWaalsContact O-CA 3.31Å; N633-K637 WeakPolarHBondContact O-CA 3.33Å; N633-K637 PolarHBondContact O-N 3.33Å; K637-I652 WeakPolarHBondContact O-CA 3.43Å; K637-C653 PolarHBondContact O-N 2.86Å; K637-C653 VanDerWaalsContact O-N 3.16Å; K637-C658 VanDerWaalsContact CA-SG 3.52Å; K637-C658 PolarHBondContact O-SG 3.45Å
638M91.4Very high91.4Very high50 Ų5078.5 Ų78.525%0.24637%0.373CS..EExtended strand (participates in β ladder)trans-110.3125.6-176.4-172.7175.474.100110.6N633 I636 F651 I652N633-M638 PolarHBondContact N-O 2.61Å; N633-M638 PolarHBondContact O-N 3.4Å; I636-M638 VanDerWaalsContact C-N 3.26Å; I636-M638 HydrophobicContact CD1-CB 3.68Å; I636-M638 HydrophobicContact CD1-CE 3.68Å; I636-M638 HydrophobicContact CD1-CG 4.42Å; I636-M638 HydrophobicContact CD1-SD 3.9Å; I636-M638 HydrophobicContact CG1-CB 3.73Å; I636-M638 PolarHBondContact O-N 3.25Å; M638-F651 WeakPolarHBondContact CA-O 3.47Å; M638-I652 HydrophobicContact CB-CG1 4.02Å; M638-I652 HydrophobicContact CG-CG1 4.08Å
639V94.1Very high91.5Very high0 Ų071.6 Ų71.60%034%0.343CS..EExtended strand (participates in β ladder)trans-96.4128.4170.1-176.70000107.8V632 V641 S650 F651 C658 V661 I665V632-V639 HydrophobicContact CG1-CG2 4.4Å; V632-V639 HydrophobicContact CG2-CG2 4.31Å; V639-V641 HydrophobicContact CG1-CG2 4.09Å; V639-S650 WeakPolarHBondContact O-CA 3.34Å; V639-F651 HydrophobicContact CB-CD2 4.45Å; V639-F651 HydrophobicContact CB-CE1 4.05Å; V639-F651 HydrophobicContact CB-CE2 3.88Å; V639-F651 HydrophobicContact CB-CZ 3.66Å; V639-F651 HydrophobicContact CG1-CE1 4.13Å; V639-F651 HydrophobicContact CG1-CZ 3.85Å; V639-F651 HydrophobicContact CG2-CE2 4.1Å; V639-F651 HydrophobicContact CG2-CZ 4.22Å; V639-F651 PolarHBondContact N-O 2.73Å; V639-F651 PolarHBondContact O-N 2.89Å; V639-C658 HydrophobicContact CG2-CB 4.26Å; V639-V661 HydrophobicContact CG2-CG1 4.3Å; V639-I665 HydrophobicContact CG1-CD1 4.4Å
640T94.5Very high91.5Very high23 Ų2367.6 Ų67.614%0.14133%0.327CS..EExtended strand (participates in β ladder)trans-120.6120.6174.1-62.10000109.3W630 N631 L649 S650W630-T640 CarbonylContact C-O 3.49Å; W630-T640 VanDerWaalsContact CA-O 3.28Å; W630-T640 WeakPolarHBondContact CA-O 3.34Å; N631-T640 PolarHBondContact N-O 3.49Å; N631-T640 PolarHBondContact O-N 3.1Å; T640-L649 CarbonylContact C-O 3.56Å; T640-L649 VanDerWaalsContact CA-O 3.29Å; T640-L649 WeakPolarHBondContact CA-O 3.43Å; T640-S650 WeakPolarHBondContact CG2-OG 3.39Å; T640-S650 PolarHBondContact OG1-OG 2.9Å
641V96Very high91.6Very high0 Ų065.3 Ų65.30%032%0.319CS..EExtended strand (participates in β ladder)trans-110.5127.2179.7-170.30000108.6L608 M627 W630 V639 F643 L649 I665L608-V641 HydrophobicContact CD1-CG1 4.5Å; L608-V641 HydrophobicContact CD1-CG2 4.02Å; M627-V641 HydrophobicContact CG-CG1 3.66Å; M627-V641 HydrophobicContact SD-CG1 3.53Å; M627-V641 VanDerWaalsContact SD-CG1 3.53Å; W630-V641 HydrophobicContact CB-CB 4.42Å; W630-V641 HydrophobicContact CB-CG1 4.34Å; W630-V641 HydrophobicContact CB-CG2 4.03Å; V639-V641 HydrophobicContact CG1-CG2 4.09Å; V641-F643 HydrophobicContact CB-CE2 3.81Å; V641-F643 HydrophobicContact CB-CZ 4.09Å; V641-F643 HydrophobicContact CG1-CD2 4.27Å; V641-F643 HydrophobicContact CG1-CE1 4.11Å; V641-F643 HydrophobicContact CG1-CE2 3.55Å; V641-F643 HydrophobicContact CG1-CZ 3.45Å; V641-F643 VanDerWaalsContact CG1-CZ 3.45Å; V641-L649 HydrophobicContact CB-CB 4.37Å; V641-L649 PolarHBondContact N-O 2.85Å; V641-L649 PolarHBondContact O-N 3.18Å; V641-I665 HydrophobicContact CG2-CD1 4.42Å
642E95.8Very high91.6Very high46 Ų4663.6 Ų63.622%0.21531%0.309CS..EExtended strand (participates in β ladder)trans-103.2127.4178-59.9-163.9137.400110.2K628 Q629 R648K628-E642 PolarHBondContact N-O 3.41Å; Q629-E642 HydrophobicContact CG-CB 4.15Å; Q629-E642 HydrophobicContact CG-CG 4.43Å; Q629-E642 PolarHBondContact NE2-OE2 3.1Å; Q629-E642 PolarHBondContact O-N 3.41Å; E642-R648 HydrophobicContact CG-CG 4.37Å; E642-R648 IonicContact OE1-CZ 2.71Å; E642-R648 VanDerWaalsContact OE1-CZ 3.31Å; E642-R648 IonicContact OE1-NE 3.84Å; E642-R648 PolarHBondContact OE1-NE 3.09Å; E642-R648 IonicContact OE1-NH2 2.81Å; E642-R648 PolarHBondContact OE1-NH2 3.33Å
643F95.1Very high91.5Very high9 Ų963 Ų634%0.03931%0.305CS..EExtended strand (participates in β ladder)trans-109.6174.8177.6-60.4-90.5000111L608 W622 R623 N626 M627 V641 V647 L649L608-F643 HydrophobicContact CD1-CZ 4.33Å; W622-F643 HydrophobicContact CB-CD1 4.37Å; W622-F643 HydrophobicContact CB-CE1 3.66Å; W622-F643 HydrophobicContact CB-CE2 3.83Å; W622-F643 HydrophobicContact CB-CZ 3.34Å; W622-F643 AromaticContact CD1-CD2 3.81Å; W622-F643 AromaticContact CD1-CE2 3.59Å; W622-F643 HydrophobicContact CG-CD2 4.44Å; W622-F643 HydrophobicContact CG-CE1 4.5Å; W622-F643 AromaticContact CG-CE2 3.84Å; W622-F643 HydrophobicContact CG-CE2 3.84Å; W622-F643 AromaticContact CG-CZ 3.88Å; W622-F643 HydrophobicContact CG-CZ 3.88Å; R623-F643 WeakPolarHBondContact O-CE1 3.48Å; N626-F643 HydrophobicContact CB-CD1 4.3Å; N626-F643 CarbonylContact O-C 3.53Å; N626-F643 WeakPolarHBondContact O-CA 3.29Å; M627-F643 HydrophobicContact CB-CD1 4.05Å; M627-F643 HydrophobicContact CB-CE1 3.97Å; M627-F643 HydrophobicContact CG-CE1 4.36Å; V641-F643 HydrophobicContact CB-CE2 3.81Å; V641-F643 HydrophobicContact CB-CZ 4.09Å; V641-F643 HydrophobicContact CG1-CD2 4.27Å; V641-F643 HydrophobicContact CG1-CE1 4.11Å; V641-F643 HydrophobicContact CG1-CE2 3.55Å; V641-F643 HydrophobicContact CG1-CZ 3.45Å; V641-F643 VanDerWaalsContact CG1-CZ 3.45Å; F643-V647 HydrophobicContact CB-CB 4.18Å; F643-V647 HydrophobicContact CD2-CG1 4.42Å; F643-V647 PolarHBondContact N-O 3.28Å; F643-L649 HydrophobicContact CE2-CB 3.87Å; F643-L649 HydrophobicContact CE2-CD2 4.41Å
644A92.1Very high90.8Very high27 Ų2761.8 Ų61.822%0.22330%0.301CS..G310 helixtrans-54.9159.9163.600000111.6N626 E646 V647N626-A644 HydrophobicContact CB-CB 4.23Å; N626-A644 PolarHBondContact O-N 3.06Å; A644-E646 VanDerWaalsContact C-N 3.27Å; A644-E646 PolarHBondContact O-N 2.97Å; A644-V647 PolarHBondContact O-N 3.4Å
645D91.3Very high90Very high141 Ų14162.5 Ų62.575%0.75431%0.307SS*.G310 helixtrans60.331.9178.3-45.1-39.8000114.6V647D645-V647 PolarHBondContact O-N 2.95Å
646E85.4Confident89.3Confident184 Ų18454.3 Ų54.386%0.8627%0.269SS*.G310 helixtrans56.817.5-179.8-57.7-173.9175.400114.5A644 R648A644-E646 VanDerWaalsContact C-N 3.27Å; A644-E646 PolarHBondContact O-N 2.97Å; E646-R648 PolarHBondContact O-N 3.23Å
647V91.5Very high88.9Confident58 Ų5854.3 Ų54.335%0.35227%0.27SS..  trans-71.9121.8175.8177.90000109F643 A644 D645F643-V647 HydrophobicContact CB-CB 4.18Å; F643-V647 HydrophobicContact CD2-CG1 4.42Å; F643-V647 PolarHBondContact N-O 3.28Å; A644-V647 PolarHBondContact O-N 3.4Å; D645-V647 PolarHBondContact O-N 2.95Å
648R92.4Very high88.8Confident176 Ų17649.4 Ų49.466%0.66425%0.249SC*.EExtended strand (participates in β ladder)trans-113.4138.2175.7-68.6-176.7167.3147.5-1.8111.2E642 E646E642-R648 HydrophobicContact CG-CG 4.37Å; E642-R648 IonicContact OE1-CZ 2.71Å; E642-R648 VanDerWaalsContact OE1-CZ 3.31Å; E642-R648 IonicContact OE1-NE 3.84Å; E642-R648 PolarHBondContact OE1-NE 3.09Å; E642-R648 IonicContact OE1-NH2 2.81Å; E642-R648 PolarHBondContact OE1-NH2 3.33Å; E646-R648 PolarHBondContact O-N 3.23Å
649L94.5Very high88.7Confident6 Ų650.4 Ų50.43%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-117.7120.7171.3166.659.3000108.3F592 I601 L608 W622 T640 V641 F643 F651F592-L649 HydrophobicContact CD1-CD1 3.92Å; F592-L649 HydrophobicContact CE1-CD1 3.83Å; I601-L649 HydrophobicContact CD1-CD2 4.49Å; L608-L649 HydrophobicContact CB-CD2 4.38Å; L608-L649 HydrophobicContact CD1-CD2 3.93Å; W622-L649 HydrophobicContact CD2-CD2 3.97Å; W622-L649 HydrophobicContact CE3-CD2 3.89Å; W622-L649 HydrophobicContact CG-CD2 4.45Å; W622-L649 HydrophobicContact CH2-CD1 3.71Å; W622-L649 HydrophobicContact CH2-CD2 4.5Å; W622-L649 HydrophobicContact CZ2-CB 4.45Å; W622-L649 HydrophobicContact CZ2-CD1 3.76Å; W622-L649 HydrophobicContact CZ2-CG 4.46Å; W622-L649 HydrophobicContact CZ3-CD1 4.12Å; W622-L649 HydrophobicContact CZ3-CD2 4.17Å; T640-L649 CarbonylContact C-O 3.56Å; T640-L649 VanDerWaalsContact CA-O 3.29Å; T640-L649 WeakPolarHBondContact CA-O 3.43Å; V641-L649 HydrophobicContact CB-CB 4.37Å; V641-L649 PolarHBondContact N-O 2.85Å; V641-L649 PolarHBondContact O-N 3.18Å; F643-L649 HydrophobicContact CE2-CB 3.87Å; F643-L649 HydrophobicContact CE2-CD2 4.41Å; L649-F651 HydrophobicContact CD1-CD1 4.06Å; L649-F651 HydrophobicContact CD2-CD1 4.23Å; L649-F651 HydrophobicContact CD2-CE1 4.12Å; L649-F651 HydrophobicContact CG-CD1 3.91Å; L649-F651 HydrophobicContact CG-CE1 4.2Å
650S94.3Very high88.6Confident27 Ų2751 Ų5119%0.18926%0.256CS..EExtended strand (participates in β ladder)trans-125.6132173.5-60.80000110.6V639 T640V639-S650 WeakPolarHBondContact O-CA 3.34Å; T640-S650 WeakPolarHBondContact CG2-OG 3.39Å; T640-S650 PolarHBondContact OG1-OG 2.9Å
651F93.9Very high88.6Confident2 Ų250 Ų501%0.00925%0.249CC..EExtended strand (participates in β ladder)trans-147.5150.9176.761.1-88.4000111.2A590 R591 F592 I601 M638 V639 L649 V661A590-F651 HydrophobicContact CB-CB 4.31Å; A590-F651 HydrophobicContact CB-CD2 3.94Å; A590-F651 HydrophobicContact CB-CG 4.46Å; R591-F651 WeakPolarHBondContact O-CA 3.3Å; F592-F651 HydrophobicContact CD1-CB 3.82Å; F592-F651 HydrophobicContact CE1-CB 3.91Å; F592-F651 HydrophobicContact CE1-CD1 4.39Å; F592-F651 HydrophobicContact CE1-CG 4.34Å; F592-F651 HydrophobicContact CG-CB 4.33Å; F592-F651 HydrophobicContact CZ-CB 4.46Å; I601-F651 HydrophobicContact CD1-CE1 4.45Å; I601-F651 HydrophobicContact CG1-CE1 4.38Å; I601-F651 HydrophobicContact CG1-CE2 4.44Å; I601-F651 HydrophobicContact CG1-CZ 4.2Å; I601-F651 HydrophobicContact CG2-CD2 4.27Å; I601-F651 HydrophobicContact CG2-CE2 3.98Å; I601-F651 HydrophobicContact CG2-CZ 4.5Å; M638-F651 WeakPolarHBondContact CA-O 3.47Å; V639-F651 HydrophobicContact CB-CD2 4.45Å; V639-F651 HydrophobicContact CB-CE1 4.05Å; V639-F651 HydrophobicContact CB-CE2 3.88Å; V639-F651 HydrophobicContact CB-CZ 3.66Å; V639-F651 HydrophobicContact CG1-CE1 4.13Å; V639-F651 HydrophobicContact CG1-CZ 3.85Å; V639-F651 HydrophobicContact CG2-CE2 4.1Å; V639-F651 HydrophobicContact CG2-CZ 4.22Å; V639-F651 PolarHBondContact N-O 2.73Å; V639-F651 PolarHBondContact O-N 2.89Å; L649-F651 HydrophobicContact CD1-CD1 4.06Å; L649-F651 HydrophobicContact CD2-CD1 4.23Å; L649-F651 HydrophobicContact CD2-CE1 4.12Å; L649-F651 HydrophobicContact CG-CD1 3.91Å; L649-F651 HydrophobicContact CG-CE1 4.2Å; F651-V661 HydrophobicContact CE2-CG1 3.94Å; F651-V661 HydrophobicContact CZ-CG1 3.83Å
652I92.3Very high88.5Confident64 Ų6450.4 Ų50.433%0.32825%0.251SS..EExtended strand (participates in β ladder)trans-106.3128.9178.5-63.7167.9000108.6A590 R591 K637 M638A590-I652 CarbonylContact C-O 3.57Å; A590-I652 VanDerWaalsContact CA-O 3.32Å; A590-I652 WeakPolarHBondContact CA-O 3.25Å; R591-I652 PolarHBondContact N-O 2.87Å; R591-I652 PolarHBondContact O-N 3.26Å; K637-I652 WeakPolarHBondContact O-CA 3.43Å; M638-I652 HydrophobicContact CB-CG1 4.02Å; M638-I652 HydrophobicContact CG-CG1 4.08Å
653C87.8Confident88.5Confident1 Ų148.4 Ų48.41%0.00724%0.242CC..EExtended strand (participates in β ladder)trans-82.7121.2172.6-61.80000109K637 V656K637-C653 PolarHBondContact O-N 2.86Å; K637-C653 VanDerWaalsContact O-N 3.16Å; C653-V656 HydrophobicContact CB-CG1 3.63Å; C653-V656 WeakPolarHBondContact CB-O 3.43Å
654T75Confident88.6Confident40 Ų4048 Ų4825%0.24524%0.24CC..SBendtrans-81.8-58.6-174.552.20000111.7I589 R591I589-T654 WeakPolarHBondContact CG2-OG1 3.27Å; R591-T654 HydrophobicContact CB-CG2 4.48Å
655E69.4Low88.8Confident95 Ų9546.7 Ų46.744%0.44423%0.229SC..SBendtrans-99.8-32.9-176.6-67.8-172.2160.200113.5K247 Q250K247-E655 VanDerWaalsContact CE-OE2 3.24Å; K247-E655 WeakPolarHBondContact CE-OE2 3.44Å; K247-E655 WeakPolarHBondContact CG-OE2 3.41Å; Q250-E655 PolarHBondContact NE2-OE2 3.44Å
656V72.1Confident89Confident3 Ų340 Ų402%0.01819%0.193CC..SBendtrans-80.8142.8179.669.80000111.6Q250 F588 C653 C658 V660 V661Q250-V656 HydrophobicContact CB-CG2 4.36Å; Q250-V656 HydrophobicContact CG-CB 3.78Å; Q250-V656 HydrophobicContact CG-CG2 3.98Å; F588-V656 HydrophobicContact CB-CG1 4.32Å; F588-V656 HydrophobicContact CD1-CB 4.34Å; F588-V656 HydrophobicContact CD1-CG1 4.01Å; F588-V656 HydrophobicContact CD1-CG2 3.99Å; F588-V656 HydrophobicContact CE1-CG2 4.25Å; C653-V656 HydrophobicContact CB-CG1 3.63Å; C653-V656 WeakPolarHBondContact CB-O 3.43Å; V656-C658 PolarHBondContact O-N 3.03Å; V656-V660 HydrophobicContact CG2-CB 3.92Å; V656-V660 HydrophobicContact CG2-CG1 4.5Å; V656-V660 HydrophobicContact CG2-CG2 4.06Å; V656-V661 HydrophobicContact CG1-CG2 4.24Å
657D78.9Confident89.5Confident84 Ų8431.2 Ų31.245%0.44915%0.152SC..  trans-63.4128.8167.3-165.5-29.1000108.9K659 V660D657-K659 HydrophobicContact CB-CB 4.43Å; D657-K659 PolarHBondContact O-N 3.14Å; D657-K659 WeakPolarHBondContact OD1-CB 3.47Å; D657-K659 WeakPolarHBondContact OD1-CG 3.31Å; D657-K659 PolarHBondContact OD1-N 2.94Å; D657-V660 PolarHBondContact O-N 3.04Å
658C87.5Confident89.7Confident1 Ų128.6 Ų28.61%0.00714%0.136CC..Hα-helixtrans-54.6-22.8175.9-71.40000112.3V632 W634 K637 V639 V656 V660 V661 H662V632-C658 HydrophobicContact CG1-CB 3.75Å; W634-C658 HydrophobicContact CE3-CB 4.4Å; W634-C658 HydrophobicContact CZ3-CB 3.96Å; K637-C658 VanDerWaalsContact CA-SG 3.52Å; K637-C658 PolarHBondContact O-SG 3.45Å; V639-C658 HydrophobicContact CG2-CB 4.26Å; V656-C658 PolarHBondContact O-N 3.03Å; C658-V660 VanDerWaalsContact C-N 3.29Å; C658-V660 PolarHBondContact O-N 2.93Å; C658-V661 PolarHBondContact O-N 3.1Å; C658-H662 VanDerWaalsContact O-CB 3.3Å; C658-H662 WeakPolarHBondContact O-CB 3.42Å; C658-H662 PolarHBondContact O-N 2.61Å
659K88.4Confident89.8Confident72 Ų7222 Ų2231%0.31311%0.114SC..Hα-helixtrans-55.5-41.3173.5-71.6-172.3175.4-160.50113.1W634 D657 H662 E663W634-K659 HydrophobicContact CE3-CG 4.36Å; W634-K659 HydrophobicContact CH2-CB 4.45Å; W634-K659 HydrophobicContact CH2-CG 3.53Å; W634-K659 HydrophobicContact CZ3-CB 4.31Å; W634-K659 HydrophobicContact CZ3-CD 4.43Å; W634-K659 HydrophobicContact CZ3-CG 3.33Å; D657-K659 HydrophobicContact CB-CB 4.43Å; D657-K659 PolarHBondContact O-N 3.14Å; D657-K659 WeakPolarHBondContact OD1-CB 3.47Å; D657-K659 WeakPolarHBondContact OD1-CG 3.31Å; D657-K659 PolarHBondContact OD1-N 2.94Å; K659-H662 PolarHBondContact O-N 3.35Å; K659-E663 WeakPolarHBondContact O-CB 3.38Å; K659-E663 PolarHBondContact O-N 2.94Å
660V92.8Very high89.8Confident13 Ų1322.1 Ų22.18%0.07911%0.114CC..Hα-helixtrans-65-49.2-179.3-178.50000109.5W252 F588 V656 D657 C658 H662 E663 F664W252-V660 HydrophobicContact CB-CG1 3.91Å; W252-V660 HydrophobicContact CG-CG1 4.46Å; F588-V660 HydrophobicContact CE1-CB 4.44Å; F588-V660 HydrophobicContact CE1-CG1 3.68Å; F588-V660 HydrophobicContact CZ-CG1 4.02Å; V656-V660 HydrophobicContact CG2-CB 3.92Å; V656-V660 HydrophobicContact CG2-CG1 4.5Å; V656-V660 HydrophobicContact CG2-CG2 4.06Å; D657-V660 PolarHBondContact O-N 3.04Å; C658-V660 VanDerWaalsContact C-N 3.29Å; C658-V660 PolarHBondContact O-N 2.93Å; V660-H662 VanDerWaalsContact C-N 3.34Å; V660-H662 PolarHBondContact O-N 3.03Å; V660-E663 PolarHBondContact O-N 3.05Å; V660-F664 HydrophobicContact CG1-CD2 3.76Å; V660-F664 HydrophobicContact CG1-CE2 3.72Å; V660-F664 VanDerWaalsContact O-CD2 3.3Å; V660-F664 WeakPolarHBondContact O-CD2 3.45Å; V660-F664 PolarHBondContact O-N 2.81Å
661V94.1Very high89.7Confident0 Ų021.1 Ų21.10%011%0.107CC..Hα-helixtrans-60.7-43.6177.8170.80000111.7F588 I603 V639 F651 V656 C658 E663 F664 I665F588-V661 HydrophobicContact CB-CG2 4.24Å; F588-V661 HydrophobicContact CD1-CG2 3.94Å; F588-V661 HydrophobicContact CD2-CG2 4.05Å; F588-V661 HydrophobicContact CE1-CG2 4.29Å; F588-V661 HydrophobicContact CE2-CG2 4.41Å; F588-V661 HydrophobicContact CG-CG2 3.8Å; I603-V661 HydrophobicContact CD1-CB 4.49Å; I603-V661 HydrophobicContact CD1-CG1 3.95Å; V639-V661 HydrophobicContact CG2-CG1 4.3Å; F651-V661 HydrophobicContact CE2-CG1 3.94Å; F651-V661 HydrophobicContact CZ-CG1 3.83Å; V656-V661 HydrophobicContact CG1-CG2 4.24Å; C658-V661 PolarHBondContact O-N 3.1Å; V661-E663 PolarHBondContact O-N 3.3Å; V661-F664 PolarHBondContact O-N 2.86Å; V661-I665 HydrophobicContact CG1-CD1 4.15Å; V661-I665 WeakPolarHBondContact O-CG1 3.26Å; V661-I665 PolarHBondContact O-N 3.11Å; V661-I665 VanDerWaalsContact O-N 3.08Å
662H94.4Very high89.5Confident10 Ų1024.5 Ų24.55%0.04613%0.13CC..Hα-helixtrans-56.4-48.9174.5171.587.5000111.6W630 V632 C658 K659 V660 F664 I665 G666 T691W630-H662 AromaticContact CD1-ND1 3.66Å; W630-H662 AromaticContact NE1-CE1 3.32Å; W630-H662 PolarHBondContact NE1-CE1 2.8Å; W630-H662 VanDerWaalsContact NE1-CE1 3.32Å; W630-H662 AromaticContact NE1-CG 3.91Å; W630-H662 AromaticContact NE1-ND1 2.95Å; W630-H662 PolarHBondContact NE1-ND1 3.31Å; V632-H662 HydrophobicContact CG2-CB 4.07Å; C658-H662 VanDerWaalsContact O-CB 3.3Å; C658-H662 WeakPolarHBondContact O-CB 3.42Å; C658-H662 PolarHBondContact O-N 2.61Å; K659-H662 PolarHBondContact O-N 3.35Å; V660-H662 VanDerWaalsContact C-N 3.34Å; V660-H662 PolarHBondContact O-N 3.03Å; H662-F664 VanDerWaalsContact C-N 3.34Å; H662-F664 PolarHBondContact O-N 3.21Å; H662-I665 PolarHBondContact O-N 3.3Å; H662-G666 PolarHBondContact O-N 2.75Å; H662-T691 PolarHBondContact CD2-O 3.03Å; H662-T691 VanDerWaalsContact NE2-C 3.32Å; H662-T691 PolarHBondContact NE2-O 2.86Å; H662-T691 VanDerWaalsContact NE2-O 3.09Å
663E96.1Very high89.2Confident4 Ų423.6 Ų23.62%0.01913%0.128CC..Hα-helixtrans-63.6-39.2178.3-169.8-176.1131.600111.6D254 S255 K275 Y276 K659 V660 V661 I665 G666 G667 T691D254-E663 WeakPolarHBondContact CA-OE2 3.36Å; S255-E663 VanDerWaalsContact CB-OE1 3.27Å; S255-E663 WeakPolarHBondContact CB-OE1 3.32Å; S255-E663 PolarHBondContact N-OE2 3.07Å; S255-E663 PolarHBondContact OG-OE1 3.45Å; K275-E663 VanDerWaalsContact NZ-CD 3.33Å; K275-E663 IonicContact NZ-OE1 3.01Å; K275-E663 PolarHBondContact NZ-OE1 2.94Å; Y276-E663 PolarHBondContact OH-O 3.33Å; K659-E663 WeakPolarHBondContact O-CB 3.38Å; K659-E663 PolarHBondContact O-N 2.94Å; V660-E663 PolarHBondContact O-N 3.05Å; V661-E663 PolarHBondContact O-N 3.3Å; E663-I665 PolarHBondContact O-N 3.03Å; E663-G666 PolarHBondContact O-N 2.7Å; E663-G667 WeakPolarHBondContact O-CA 3.4Å; E663-G667 PolarHBondContact O-N 3.07Å; E663-T691 HydrophobicContact CG-CG2 3.85Å
664F96.6Very high88.8Confident0 Ų024.9 Ų24.90%013%0.132CC..Hα-helixtrans-62-41.9176.7-94.5-88.1000112.6W252 K275 Y276 T586 F588 I603 V660 V661 H662 Y668W252-F664 AromaticContact CD1-CE2 3.61Å; W252-F664 AromaticContact CD1-CZ 3.82Å; W252-F664 HydrophobicContact CD2-CZ 4.47Å; W252-F664 HydrophobicContact CG-CE2 4.04Å; W252-F664 HydrophobicContact CG-CZ 4.34Å; W252-F664 AromaticContact NE1-CE2 3.99Å; W252-F664 AromaticContact NE1-CZ 3.68Å; K275-F664 HydrophobicContact CD-CE2 4.41Å; K275-F664 HydrophobicContact CD-CZ 4.15Å; K275-F664 HydrophobicContact CG-CE1 3.83Å; K275-F664 HydrophobicContact CG-CE2 4.33Å; K275-F664 HydrophobicContact CG-CZ 3.59Å; Y276-F664 HydrophobicContact CD1-CD1 4.36Å; Y276-F664 HydrophobicContact CE1-CD1 4.07Å; T586-F664 HydrophobicContact CG2-CE1 3.94Å; T586-F664 HydrophobicContact CG2-CE2 4.5Å; T586-F664 HydrophobicContact CG2-CZ 3.86Å; F588-F664 HydrophobicContact CE1-CE2 4.49Å; F588-F664 HydrophobicContact CE2-CD2 4.27Å; F588-F664 HydrophobicContact CE2-CG 4.44Å; F588-F664 AromaticContact CZ-CD2 3.61Å; F588-F664 HydrophobicContact CZ-CD2 3.61Å; F588-F664 AromaticContact CZ-CE2 3.65Å; F588-F664 HydrophobicContact CZ-CE2 3.65Å; F588-F664 HydrophobicContact CZ-CG 4.21Å; F588-F664 HydrophobicContact CZ-CZ 4.27Å; I603-F664 HydrophobicContact CD1-CB 3.81Å; I603-F664 HydrophobicContact CG2-CB 4.34Å; V660-F664 HydrophobicContact CG1-CD2 3.76Å; V660-F664 HydrophobicContact CG1-CE2 3.72Å; V660-F664 VanDerWaalsContact O-CD2 3.3Å; V660-F664 WeakPolarHBondContact O-CD2 3.45Å; V660-F664 PolarHBondContact O-N 2.81Å; V661-F664 PolarHBondContact O-N 2.86Å; H662-F664 VanDerWaalsContact C-N 3.34Å; H662-F664 PolarHBondContact O-N 3.21Å; F664-Y668 HydrophobicContact CD1-CE2 4.05Å; F664-Y668 VanDerWaalsContact O-CD2 3.27Å; F664-Y668 WeakPolarHBondContact O-CD2 3.23Å; F664-Y668 PolarHBondContact O-N 2.89Å
665I96Very high88.4Confident0 Ų027 Ų270%015%0.154CC..Hα-helixtrans-64.1-54.2176-64.3168000109.7L608 F624 M627 W630 V639 V641 V661 H662 E663 G667 Y668 I669L608-I665 HydrophobicContact CD1-CD1 4.49Å; L608-I665 HydrophobicContact CD2-CG1 4.38Å; F624-I665 HydrophobicContact CE1-CG2 4.4Å; M627-I665 HydrophobicContact CE-CG2 3.73Å; M627-I665 HydrophobicContact SD-CG2 3.95Å; W630-I665 HydrophobicContact CD2-CG2 3.83Å; W630-I665 HydrophobicContact CE3-CG2 3.9Å; W630-I665 HydrophobicContact CG-CG2 4.33Å; W630-I665 HydrophobicContact CH2-CG2 4.38Å; W630-I665 HydrophobicContact CZ2-CG2 4.29Å; W630-I665 HydrophobicContact CZ3-CG2 4.19Å; V639-I665 HydrophobicContact CG1-CD1 4.4Å; V641-I665 HydrophobicContact CG2-CD1 4.42Å; V661-I665 HydrophobicContact CG1-CD1 4.15Å; V661-I665 WeakPolarHBondContact O-CG1 3.26Å; V661-I665 PolarHBondContact O-N 3.11Å; V661-I665 VanDerWaalsContact O-N 3.08Å; H662-I665 PolarHBondContact O-N 3.3Å; E663-I665 PolarHBondContact O-N 3.03Å; I665-G667 VanDerWaalsContact C-N 3.32Å; I665-G667 PolarHBondContact O-N 2.98Å; I665-Y668 PolarHBondContact O-N 3.45Å; I665-I669 WeakPolarHBondContact O-CG1 3.07Å; I665-I669 PolarHBondContact O-N 3.45Å; I665-I669 VanDerWaalsContact O-N 3.11Å
666G95.3Very high88Confident0 Ų031.3 Ų31.30%017%0.171CC..Hα-helixtrans-60.6-39.9-179.600000113.1H662 E663 I669 F670H662-G666 PolarHBondContact O-N 2.75Å; E663-G666 PolarHBondContact O-N 2.7Å; G666-I669 PolarHBondContact O-N 3.24Å; G666-F670 WeakPolarHBondContact O-CB 3.22Å; G666-F670 PolarHBondContact O-N 3.25Å
667G95.9Very high87.3Confident0 Ų034.1 Ų34.10%019%0.187CC..Hα-helixtrans-65-46.2177.600000112.8E663 I665 I669 F670 L671E663-G667 WeakPolarHBondContact O-CA 3.4Å; E663-G667 PolarHBondContact O-N 3.07Å; I665-G667 VanDerWaalsContact C-N 3.32Å; I665-G667 PolarHBondContact O-N 2.98Å; G667-I669 VanDerWaalsContact C-N 3.3Å; G667-I669 PolarHBondContact O-N 2.79Å; G667-F670 WeakPolarHBondContact O-CB 3.45Å; G667-F670 PolarHBondContact O-N 3.04Å; G667-L671 VanDerWaalsContact O-CG 3.25Å; G667-L671 WeakPolarHBondContact O-CG 3.48Å; G667-L671 PolarHBondContact O-N 2.88Å
668Y96.7Very high86Confident3 Ų339 Ų391%0.01221%0.206CC..Hα-helixtrans-64.8-34.9175-83.4-55.9000112.9Y276 Y277 I603 Y605 F624 F664 I665 L671 S672Y276-Y668 AromaticContact CD1-CD1 3.91Å; Y276-Y668 HydrophobicContact CD1-CD1 3.91Å; Y276-Y668 HydrophobicContact CD1-CD2 4.11Å; Y276-Y668 AromaticContact CD1-CE1 3.9Å; Y276-Y668 HydrophobicContact CD1-CE1 3.9Å; Y276-Y668 HydrophobicContact CD1-CE2 4.08Å; Y276-Y668 HydrophobicContact CD1-CG 4.04Å; Y276-Y668 AromaticContact CD1-CZ 4Å; Y276-Y668 HydrophobicContact CE1-CD2 4.5Å; Y276-Y668 HydrophobicContact CG-CE1 4.41Å; Y277-Y668 PolarHBondContact N-OH 2.96Å; I603-Y668 HydrophobicContact CG2-CD2 3.82Å; I603-Y668 HydrophobicContact CG2-CE2 3.87Å; Y605-Y668 VanDerWaalsContact CA-CD1 3.43Å; Y605-Y668 VanDerWaalsContact CA-CE1 3.47Å; F624-Y668 HydrophobicContact CE2-CD2 4.42Å; F624-Y668 HydrophobicContact CE2-CG 4.41Å; F664-Y668 HydrophobicContact CD1-CE2 4.05Å; F664-Y668 VanDerWaalsContact O-CD2 3.27Å; F664-Y668 WeakPolarHBondContact O-CD2 3.23Å; F664-Y668 PolarHBondContact O-N 2.89Å; I665-Y668 PolarHBondContact O-N 3.45Å; Y668-L671 HydrophobicContact CD1-CD1 4.33Å; Y668-L671 PolarHBondContact O-N 2.82Å; Y668-S672 PolarHBondContact O-N 3.11Å; Y668-S672 VanDerWaalsContact O-N 3.16Å
669I94.1Very high84.5Confident38 Ų3844 Ų4420%0.19523%0.233CC..Hα-helixtrans-63.7-46.7172.1-64.7-57.2000110.8F624 M627 I665 G666 G667 L671 S672 T673 L690F624-I669 HydrophobicContact CB-CD1 4.2Å; F624-I669 HydrophobicContact CD2-CD1 4.45Å; F624-I669 HydrophobicContact CG-CD1 4.28Å; M627-I669 HydrophobicContact CE-CD1 3.55Å; M627-I669 HydrophobicContact CE-CG1 3.57Å; I665-I669 WeakPolarHBondContact O-CG1 3.07Å; I665-I669 PolarHBondContact O-N 3.45Å; I665-I669 VanDerWaalsContact O-N 3.11Å; G666-I669 PolarHBondContact O-N 3.24Å; G667-I669 VanDerWaalsContact C-N 3.3Å; G667-I669 PolarHBondContact O-N 2.79Å; I669-L671 PolarHBondContact O-N 3.24Å; I669-S672 WeakPolarHBondContact O-CB 3.4Å; I669-S672 PolarHBondContact O-N 3.31Å; I669-S672 VanDerWaalsContact O-N 3.15Å; I669-S672 PolarHBondContact O-OG 2.92Å; I669-T673 PolarHBondContact O-N 3.33Å; I669-L690 HydrophobicContact CG2-CD1 4.35Å; I669-L690 HydrophobicContact CG2-CD2 4.39Å
670F93.7Very high82.8Confident7 Ų748.7 Ų48.73%0.03126%0.256CS..Hα-helixtrans-56-47.1173.7174.8-103000112.3E136 G666 G667 S672 T673 L682 D683 M686 F687 L690E136-F670 HydrophobicContact CB-CE1 3.97Å; E136-F670 HydrophobicContact CG-CE1 4.09Å; G666-F670 WeakPolarHBondContact O-CB 3.22Å; G666-F670 PolarHBondContact O-N 3.25Å; G667-F670 WeakPolarHBondContact O-CB 3.45Å; G667-F670 PolarHBondContact O-N 3.04Å; F670-S672 PolarHBondContact O-N 3.14Å; F670-S672 VanDerWaalsContact O-N 3.15Å; F670-T673 PolarHBondContact O-N 3.33Å; F670-T673 VanDerWaalsContact O-N 3.07Å; F670-T673 PolarHBondContact O-OG1 3.44Å; F670-L682 HydrophobicContact CE1-CD1 3.91Å; F670-L682 HydrophobicContact CZ-CD1 3.68Å; F670-D683 VanDerWaalsContact CE2-O 3.31Å; F670-D683 WeakPolarHBondContact CE2-O 3.36Å; F670-M686 HydrophobicContact CD2-CB 4.41Å; F670-M686 HydrophobicContact CD2-CG 4.22Å; F670-M686 HydrophobicContact CD2-SD 4.37Å; F670-M686 HydrophobicContact CE2-CB 4.28Å; F670-F687 HydrophobicContact CB-CD2 4.41Å; F670-F687 HydrophobicContact CD1-CB 4.42Å; F670-F687 AromaticContact CD1-CD2 3.79Å; F670-F687 HydrophobicContact CD1-CD2 3.79Å; F670-F687 HydrophobicContact CD2-CB 4.03Å; F670-F687 HydrophobicContact CE1-CB 4.31Å; F670-F687 HydrophobicContact CE1-CD2 4.18Å; F670-F687 HydrophobicContact CE2-CB 3.92Å; F670-F687 HydrophobicContact CG-CB 4.27Å; F670-F687 HydrophobicContact CG-CD2 4.01Å; F670-F687 HydrophobicContact CZ-CB 4.06Å; F670-L690 HydrophobicContact CB-CD1 3.79Å; F670-L690 HydrophobicContact CD2-CD1 4.37Å
671L92.4Very high81.8Confident7 Ų752.2 Ų52.24%0.03728%0.281CS..Hα-helixtrans-64.5-24.2-179.7-66.1175.4000113.4E136 E137 Y276 G667 Y668 I669 R674E136-L671 HydrophobicContact CB-CD2 4.13Å; E136-L671 HydrophobicContact CG-CD2 3.35Å; E137-L671 HydrophobicContact CG-CD2 4.39Å; Y276-L671 HydrophobicContact CD1-CD1 3.88Å; Y276-L671 HydrophobicContact CD2-CD1 3.82Å; Y276-L671 HydrophobicContact CG-CD1 3.36Å; G667-L671 VanDerWaalsContact O-CG 3.25Å; G667-L671 WeakPolarHBondContact O-CG 3.48Å; G667-L671 PolarHBondContact O-N 2.88Å; Y668-L671 HydrophobicContact CD1-CD1 4.33Å; Y668-L671 PolarHBondContact O-N 2.82Å; I669-L671 PolarHBondContact O-N 3.24Å; L671-R674 VanDerWaalsContact CD2-CZ 3.42Å; L671-R674 PolarHBondContact O-NE 3.27Å
672S90Very high81Confident73 Ų7354.8 Ų54.851%0.5130%0.295SS..Hα-helixtrans-78.4-19.8176.6800000113.8Y668 I669 F670Y668-S672 PolarHBondContact O-N 3.11Å; Y668-S672 VanDerWaalsContact O-N 3.16Å; I669-S672 WeakPolarHBondContact O-CB 3.4Å; I669-S672 PolarHBondContact O-N 3.31Å; I669-S672 VanDerWaalsContact O-N 3.15Å; I669-S672 PolarHBondContact O-OG 2.92Å; F670-S672 PolarHBondContact O-N 3.14Å; F670-S672 VanDerWaalsContact O-N 3.15Å
673T85.9Confident80.7Confident44 Ų4456.6 Ų56.627%0.2731%0.305SS..Hα-helixtrans-80.1-19.6178.962.40000112.8I669 F670 A675 K676 D677I669-T673 PolarHBondContact O-N 3.33Å; F670-T673 PolarHBondContact O-N 3.33Å; F670-T673 VanDerWaalsContact O-N 3.07Å; F670-T673 PolarHBondContact O-OG1 3.44Å; T673-A675 VanDerWaalsContact C-N 3.25Å; T673-A675 PolarHBondContact O-N 3.44Å; T673-A675 VanDerWaalsContact O-N 3.14Å; T673-K676 PolarHBondContact O-N 3.27Å; T673-D677 PolarHBondContact O-N 3.02Å
674R79.8Confident80.2Confident28 Ų2859.4 Ų59.411%0.10632%0.318CS..G310 helixtrans-52.9-35.5-179.5-65.4-176.7-66.4173.12.6114.5E136 E137 S278 L671 K676 D677E136-R674 WeakPolarHBondContact OE1-CD 3.3Å; E136-R674 IonicContact OE1-CZ 3.49Å; E136-R674 IonicContact OE1-NH1 2.84Å; E136-R674 PolarHBondContact OE1-NH1 3.19Å; E137-R674 IonicContact OE1-CZ 2.65Å; E137-R674 IonicContact OE1-NH1 2.74Å; E137-R674 PolarHBondContact OE1-NH1 3.35Å; E137-R674 IonicContact OE1-NH2 2.91Å; S278-R674 PolarHBondContact O-NH2 3.21Å; L671-R674 VanDerWaalsContact CD2-CZ 3.42Å; L671-R674 PolarHBondContact O-NE 3.27Å; R674-K676 PolarHBondContact O-N 3.07Å; R674-D677 PolarHBondContact O-N 2.95Å
675A66.5Low79.9Confident85 Ų8565.2 Ų65.270%0.70235%0.345SS*.G310 helixtrans-68.4-17179.800000113.9T673T673-A675 VanDerWaalsContact C-N 3.25Å; T673-A675 PolarHBondContact O-N 3.44Å; T673-A675 VanDerWaalsContact O-N 3.14Å
676K60.8Low79.6Confident185 Ų18568.3 Ų68.380%0.80436%0.36SS*.G310 helixtrans-104.8-10.8179.3-62.1179.4-178.8176.60112.6T673 R674T673-K676 PolarHBondContact O-N 3.27Å; R674-K676 PolarHBondContact O-N 3.07Å
677D56.8Low79.4Confident63 Ų6368.4 Ų68.434%0.33736%0.361SS..  trans-77.9125.7-176.5-159.2-4.6000109.5T673 R674 N679T673-D677 PolarHBondContact O-N 3.02Å; R674-D677 PolarHBondContact O-N 2.95Å; D677-N679 VanDerWaalsContact OD1-CB 3.32Å; D677-N679 WeakPolarHBondContact OD1-CB 3.34Å; D677-N679 PolarHBondContact OD1-N 3.39Å; D677-N679 PolarHBondContact OD1-ND2 2.88Å
678Q52.6Low79.3Confident185 Ų18569.6 Ų69.686%0.86437%0.365SS*.  trans-92.2-6.2172.6-65.9-159.2-5.200111.7
679N55.3Low79Confident107 Ų10774.4 Ų74.457%0.57239%0.387SS*.  trans-78126174.3-65.5-35.3000109.8D677 S681D677-N679 VanDerWaalsContact OD1-CB 3.32Å; D677-N679 WeakPolarHBondContact OD1-CB 3.34Å; D677-N679 PolarHBondContact OD1-N 3.39Å; D677-N679 PolarHBondContact OD1-ND2 2.88Å; N679-S681 PolarHBondContact O-N 3.04Å
680E53.6Low78.8Confident170 Ų17074.2 Ų74.279%0.79439%0.386SS*.SBendtrans-71.2-12.5176.8-69179.8179.100112.3
681S70.6Confident78.6Confident87 Ų8774.1 Ų74.161%0.60839%0.386SS*.SBendtrans-104140.1-17865.40000113.2N679 D683N679-S681 PolarHBondContact O-N 3.04Å; S681-D683 PolarHBondContact O-N 3.01Å
682L78.9Confident78.2Confident55 Ų5575.9 Ų75.929%0.28840%0.398SS..  trans-56.8117.9174.2-172.967.2000112.6F120 P135 E136 F670 E684F120-L682 HydrophobicContact CE1-CD2 3.67Å; F120-L682 HydrophobicContact CE1-CG 4.35Å; F120-L682 HydrophobicContact CZ-CD2 3.68Å; F120-L682 HydrophobicContact CZ-CG 4.31Å; P135-L682 HydrophobicContact CG-CD2 4.15Å; E136-L682 HydrophobicContact CB-CD1 3.92Å; E136-L682 HydrophobicContact CB-CD2 4.47Å; E136-L682 HydrophobicContact CG-CD1 3.99Å; F670-L682 HydrophobicContact CE1-CD1 3.91Å; F670-L682 HydrophobicContact CZ-CD1 3.68Å; L682-E684 PolarHBondContact O-N 3.29Å
683D86.3Confident76.8Confident48 Ų4874.6 Ų74.626%0.25740%0.397SS..  trans-77.582.9174.8-171.4-14000111.2F670 S681 E685 M686 F687F670-D683 VanDerWaalsContact CE2-O 3.31Å; F670-D683 WeakPolarHBondContact CE2-O 3.36Å; S681-D683 PolarHBondContact O-N 3.01Å; D683-E685 PolarHBondContact O-N 3.07Å; D683-E685 PolarHBondContact OD1-N 3.41Å; D683-E685 VanDerWaalsContact OD1-N 3.15Å; D683-M686 HydrophobicContact CB-CB 4.11Å; D683-M686 VanDerWaalsContact CG-CB 3.44Å; D683-M686 PolarHBondContact O-N 2.95Å; D683-M686 PolarHBondContact OD1-N 3.18Å; D683-M686 WeakPolarHBondContact OD2-CB 3.41Å; D683-M686 WeakPolarHBondContact OD2-CE 3.19Å; D683-F687 PolarHBondContact O-N 2.98Å
684E87.3Confident75.5Confident63 Ų6382.2 Ų82.229%0.29442%0.421SS..Hα-helixtrans-60.5-32.9177.4-51.7-165.9178.300112.1F120 L682 F687 Y688F120-E684 HydrophobicContact CD1-CG 4.39Å; F120-E684 HydrophobicContact CE1-CB 4.29Å; F120-E684 HydrophobicContact CE1-CG 4.02Å; L682-E684 PolarHBondContact O-N 3.29Å; E684-F687 WeakPolarHBondContact O-CB 3.25Å; E684-F687 PolarHBondContact O-N 3.48Å; E684-Y688 HydrophobicContact CB-CD2 4.34Å; E684-Y688 HydrophobicContact CB-CE2 3.87Å; E684-Y688 WeakPolarHBondContact O-CD2 3.29Å; E684-Y688 PolarHBondContact O-N 3.48Å
685E88.8Confident73.8Confident121 Ų12187.1 Ų87.157%0.56545%0.454SS*.Hα-helixtrans-67.3-42.9-177.7-165.1-171.4152.600111D683 F687 Y688 K689D683-E685 PolarHBondContact O-N 3.07Å; D683-E685 PolarHBondContact OD1-N 3.41Å; D683-E685 VanDerWaalsContact OD1-N 3.15Å; E685-F687 VanDerWaalsContact C-N 3.33Å; E685-Y688 PolarHBondContact O-N 3.21Å; E685-K689 WeakPolarHBondContact O-CG 3.33Å; E685-K689 PolarHBondContact O-N 3.02Å; E685-K689 WeakPolarHBondContact OE1-CE 3.4Å; E685-K689 IonicContact OE1-NZ 3.6Å; E685-K689 PolarHBondContact OE1-NZ 3.38Å
686M90.2Very high74.2Confident65 Ų6587.2 Ų87.232%0.3244%0.441SS..Hα-helixtrans-62.3-41.4173.4-173.6-177.5-56.900111.5F670 D683 Y688 K689 L690F670-M686 HydrophobicContact CD2-CB 4.41Å; F670-M686 HydrophobicContact CD2-CG 4.22Å; F670-M686 HydrophobicContact CD2-SD 4.37Å; F670-M686 HydrophobicContact CE2-CB 4.28Å; D683-M686 HydrophobicContact CB-CB 4.11Å; D683-M686 VanDerWaalsContact CG-CB 3.44Å; D683-M686 PolarHBondContact O-N 2.95Å; D683-M686 PolarHBondContact OD1-N 3.18Å; D683-M686 WeakPolarHBondContact OD2-CB 3.41Å; D683-M686 WeakPolarHBondContact OD2-CE 3.19Å; M686-Y688 PolarHBondContact O-N 3.27Å; M686-K689 PolarHBondContact O-N 3.26Å; M686-L690 HydrophobicContact CG-CD1 4.05Å; M686-L690 WeakPolarHBondContact O-CG 3.49Å; M686-L690 PolarHBondContact O-N 3.2Å
687F92.3Very high74.9Confident2 Ų282.1 Ų82.11%0.00942%0.422CS..Hα-helixtrans-58.4-49.1174.8176.9-94.4000111.4F120 F670 D683 E684 E685 K689 L690 T691F120-F687 HydrophobicContact CB-CD1 4.5Å; F120-F687 HydrophobicContact CB-CE1 4.13Å; F120-F687 HydrophobicContact CD1-CD1 4.13Å; F120-F687 HydrophobicContact CD1-CE1 4.49Å; F120-F687 AromaticContact CD2-CD1 3.74Å; F120-F687 HydrophobicContact CD2-CD1 3.74Å; F120-F687 HydrophobicContact CD2-CD2 4.45Å; F120-F687 AromaticContact CD2-CE1 3.41Å; F120-F687 HydrophobicContact CD2-CE1 3.41Å; F120-F687 VanDerWaalsContact CD2-CE1 3.41Å; F120-F687 HydrophobicContact CD2-CE2 4.16Å; F120-F687 HydrophobicContact CD2-CG 4.26Å; F120-F687 AromaticContact CD2-CZ 3.64Å; F120-F687 HydrophobicContact CD2-CZ 3.64Å; F120-F687 HydrophobicContact CE1-CB 4.5Å; F120-F687 HydrophobicContact CE1-CD1 4.23Å; F120-F687 HydrophobicContact CE1-CG 4.34Å; F120-F687 AromaticContact CE2-CD1 3.86Å; F120-F687 HydrophobicContact CE2-CD1 3.86Å; F120-F687 AromaticContact CE2-CD2 3.88Å; F120-F687 HydrophobicContact CE2-CD2 3.88Å; F120-F687 AromaticContact CE2-CE1 3.83Å; F120-F687 HydrophobicContact CE2-CE1 3.83Å; F120-F687 AromaticContact CE2-CE2 3.85Å; F120-F687 HydrophobicContact CE2-CE2 3.85Å; F120-F687 AromaticContact CE2-CG 3.88Å; F120-F687 HydrophobicContact CE2-CG 3.88Å; F120-F687 AromaticContact CE2-CZ 3.82Å; F120-F687 HydrophobicContact CE2-CZ 3.82Å; F120-F687 AromaticContact CG-CD1 3.87Å; F120-F687 HydrophobicContact CG-CD1 3.87Å; F120-F687 AromaticContact CG-CE1 3.77Å; F120-F687 HydrophobicContact CG-CE1 3.77Å; F120-F687 HydrophobicContact CG-CZ 4.44Å; F120-F687 HydrophobicContact CZ-CB 4.29Å; F120-F687 HydrophobicContact CZ-CD1 4.08Å; F120-F687 HydrophobicContact CZ-CD2 4.19Å; F120-F687 AromaticContact CZ-CG 3.91Å; F120-F687 HydrophobicContact CZ-CG 3.91Å; F670-F687 HydrophobicContact CB-CD2 4.41Å; F670-F687 HydrophobicContact CD1-CB 4.42Å; F670-F687 AromaticContact CD1-CD2 3.79Å; F670-F687 HydrophobicContact CD1-CD2 3.79Å; F670-F687 HydrophobicContact CD2-CB 4.03Å; F670-F687 HydrophobicContact CE1-CB 4.31Å; F670-F687 HydrophobicContact CE1-CD2 4.18Å; F670-F687 HydrophobicContact CE2-CB 3.92Å; F670-F687 HydrophobicContact CG-CB 4.27Å; F670-F687 HydrophobicContact CG-CD2 4.01Å; F670-F687 HydrophobicContact CZ-CB 4.06Å; D683-F687 PolarHBondContact O-N 2.98Å; E684-F687 WeakPolarHBondContact O-CB 3.25Å; E684-F687 PolarHBondContact O-N 3.48Å; E685-F687 VanDerWaalsContact C-N 3.33Å; F687-K689 PolarHBondContact O-N 2.85Å; F687-L690 PolarHBondContact O-N 3.35Å; F687-T691 HydrophobicContact CD2-CG2 4.21Å; F687-T691 HydrophobicContact CE1-CG2 4.25Å; F687-T691 HydrophobicContact CE2-CG2 3.83Å; F687-T691 HydrophobicContact CZ-CG2 3.85Å; F687-T691 WeakPolarHBondContact O-CB 3.35Å; F687-T691 WeakPolarHBondContact O-CG2 3.48Å; F687-T691 PolarHBondContact O-N 2.99Å; F687-T691 PolarHBondContact O-OG1 3.13Å
688Y92.2Very high75.9Confident25 Ų2583.1 Ų83.110%0.09843%0.427CS..Hα-helixtrans-64.1-38.8177.6-64.5-56.5000112R118 F120 E684 E685 M686 L690 T691 S692 G693R118-Y688 HydrophobicContact CB-CE1 4.37Å; R118-Y688 VanDerWaalsContact CD-CE1 3.46Å; R118-Y688 VanDerWaalsContact NH1-CG 3.33Å; F120-Y688 HydrophobicContact CB-CE1 4.14Å; E684-Y688 HydrophobicContact CB-CD2 4.34Å; E684-Y688 HydrophobicContact CB-CE2 3.87Å; E684-Y688 WeakPolarHBondContact O-CD2 3.29Å; E684-Y688 PolarHBondContact O-N 3.48Å; E685-Y688 PolarHBondContact O-N 3.21Å; M686-Y688 PolarHBondContact O-N 3.27Å; Y688-L690 VanDerWaalsContact C-N 3.29Å; Y688-L690 PolarHBondContact O-N 3.35Å; Y688-T691 PolarHBondContact O-N 3.48Å; Y688-S692 CarbonylContact O-C 3.6Å; Y688-S692 WeakPolarHBondContact O-CA 3.2Å; Y688-S692 PolarHBondContact O-N 2.84Å; Y688-S692 PolarHBondContact O-OG 3.46Å; Y688-G693 PolarHBondContact O-N 2.9Å
689K90.6Very high77.3Confident105 Ų10577.1 Ų77.146%0.45740%0.401SS..Hα-helixtrans-58.1-41.9174.3-77171.1-176.8162.80112E685 M686 F687 G693 W694E685-K689 WeakPolarHBondContact O-CG 3.33Å; E685-K689 PolarHBondContact O-N 3.02Å; E685-K689 WeakPolarHBondContact OE1-CE 3.4Å; E685-K689 IonicContact OE1-NZ 3.6Å; E685-K689 PolarHBondContact OE1-NZ 3.38Å; M686-K689 PolarHBondContact O-N 3.26Å; F687-K689 PolarHBondContact O-N 2.85Å; K689-G693 WeakPolarHBondContact O-CA 3.08Å; K689-G693 PolarHBondContact O-N 2.81Å; K689-W694 PolarHBondContact O-NE1 2.88Å
690L90.6Very high78.7Confident33 Ų3375.3 Ų75.317%0.17339%0.39CS..Hα-helixtrans-78.3-20.6-178.5-70.5170.3000114.2W630 I669 F670 M686 F687 Y688W630-L690 HydrophobicContact CH2-CD2 4.35Å; W630-L690 WeakPolarHBondContact CZ2-O 3.39Å; I669-L690 HydrophobicContact CG2-CD1 4.35Å; I669-L690 HydrophobicContact CG2-CD2 4.39Å; F670-L690 HydrophobicContact CB-CD1 3.79Å; F670-L690 HydrophobicContact CD2-CD1 4.37Å; M686-L690 HydrophobicContact CG-CD1 4.05Å; M686-L690 WeakPolarHBondContact O-CG 3.49Å; M686-L690 PolarHBondContact O-N 3.2Å; F687-L690 PolarHBondContact O-N 3.35Å; Y688-L690 VanDerWaalsContact C-N 3.29Å; Y688-L690 PolarHBondContact O-N 3.35Å
691T90.1Very high80.3Confident6 Ų668.9 Ų68.94%0.03736%0.363CS..Hα-helixtrans-116.7-13.3-172.558.30000114.8H662 E663 F687 Y688H662-T691 PolarHBondContact CD2-O 3.03Å; H662-T691 VanDerWaalsContact NE2-C 3.32Å; H662-T691 PolarHBondContact NE2-O 2.86Å; H662-T691 VanDerWaalsContact NE2-O 3.09Å; E663-T691 HydrophobicContact CG-CG2 3.85Å; F687-T691 HydrophobicContact CD2-CG2 4.21Å; F687-T691 HydrophobicContact CE1-CG2 4.25Å; F687-T691 HydrophobicContact CE2-CG2 3.83Å; F687-T691 HydrophobicContact CZ-CG2 3.85Å; F687-T691 WeakPolarHBondContact O-CB 3.35Å; F687-T691 WeakPolarHBondContact O-CG2 3.48Å; F687-T691 PolarHBondContact O-N 2.99Å; F687-T691 PolarHBondContact O-OG1 3.13Å; Y688-T691 PolarHBondContact O-N 3.48Å
692S83.2Confident81Confident43 Ų4367.6 Ų67.630%0.30135%0.346SS..THydrogen-bonded Turntrans-149.5-9.2177.856.30000115.1S256 Y688 W694 V695S256-S692 WeakPolarHBondContact OG-CB 3.26Å; S256-S692 PolarHBondContact OG-OG 2.64Å; S256-S692 VanDerWaalsContact OG-OG 3.05Å; Y688-S692 CarbonylContact O-C 3.6Å; Y688-S692 WeakPolarHBondContact O-CA 3.2Å; Y688-S692 PolarHBondContact O-N 2.84Å; Y688-S692 PolarHBondContact O-OG 3.46Å; S692-W694 VanDerWaalsContact C-N 3.31Å; S692-W694 PolarHBondContact O-N 3.43Å; S692-V695 WeakPolarHBondContact O-CG2 3.22Å
693G61.3Low81.2Confident47 Ų4768.6 Ų68.649%0.48535%0.35SS..THydrogen-bonded Turntrans-73.5-12.4-172.600000116.4Y688 K689Y688-G693 PolarHBondContact O-N 2.9Å; K689-G693 WeakPolarHBondContact O-CA 3.08Å; K689-G693 PolarHBondContact O-N 2.81Å
694W58Low80.8Confident204 Ų20470.3 Ų70.377%0.77336%0.358SS*.THydrogen-bonded Turntrans-126.345.1-175.1-49.797.8000111.8K689 S692K689-W694 PolarHBondContact O-NE1 2.88Å; S692-W694 VanDerWaalsContact C-N 3.31Å; S692-W694 PolarHBondContact O-N 3.43Å
695V44.9Very low80.2Confident130 Ų13071 Ų7179%0.78836%0.364SS*.  trans-93.80179177.30000111.5W634 S692W634-V695 HydrophobicContact CZ2-CG1 4.17Å; W634-V695 HydrophobicContact CZ2-CG2 4.16Å; S692-V695 WeakPolarHBondContact O-CG2 3.22Å

Retrieved 695 of 695 residues in 1941.7 ms (Link to these results)

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