A0A061IHA3_CRIGR Loading...

Calbindin

Buffers cytosolic calcium. May stimulate a membrane Ca(2+)-ATPase and a 3',5'-cyclic nucleotide phosphodiesterase.

AlphaFold DB (A0A6I9LRP3), UniProt , Accession A0A061IHA3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Calb1, Length 261 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
1M59.2Low74.2Confident188 Ų18858.6 Ų58.693%0.92633%0.327SS*.  0-48.50-68.7178.8-153.300109.9E3 S4 H5M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 2.94Å; M1-S4 WeakPolarHBondContact O-CB 3.08Å; M1-S4 PolarHBondContact O-N 3.37Å; M1-S4 PolarHBondContact O-OG 3.42Å; M1-H5 PolarHBondContact O-CD2 3.46Å; M1-H5 VanDerWaalsContact O-CD2 3.24Å; M1-H5 PolarHBondContact O-N 2.86Å; M1-H5 PolarHBondContact O-NE2 3.5Å
2A61.1Low75.1Confident4 Ų457.8 Ų57.83%0.03333%0.325CS..Hα-helixtrans-48-46171.200000114.7S4 H5 L6 I19 H22 F23A2-S4 PolarHBondContact O-N 2.72Å; A2-S4 VanDerWaalsContact O-N 3.12Å; A2-H5 PolarHBondContact O-N 3.09Å; A2-L6 WeakPolarHBondContact O-CG 3.33Å; A2-L6 PolarHBondContact O-N 3.41Å; A2-I19 HydrophobicContact CB-CG1 4.25Å; A2-H22 HydrophobicContact CB-CB 3.97Å; A2-F23 HydrophobicContact CB-CE2 4.47Å
3E67.9Low75.5Confident59 Ų5953.3 Ų53.328%0.27630%0.3SS..Hα-helixtrans-58.3-27.8177.6-158.8-174.1-175.600113.5M1 Q7 A46 K49M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 2.94Å; E3-Q7 VanDerWaalsContact O-CG 3.29Å; E3-Q7 WeakPolarHBondContact O-CG 3.32Å; E3-Q7 PolarHBondContact O-NE2 3.27Å; E3-A46 HydrophobicContact CG-CB 4.12Å; E3-K49 IonicContact OE1-NZ 2.64Å; E3-K49 PolarHBondContact OE1-NZ 3.05Å; E3-K49 IonicContact OE2-NZ 2.7Å
4S74.7Confident76Confident64 Ų6452.1 Ų52.145%0.44830%0.297SS..Hα-helixtrans-78.1-32.4176.284.60000112.5M1 A2 Q7M1-S4 WeakPolarHBondContact O-CB 3.08Å; M1-S4 PolarHBondContact O-N 3.37Å; M1-S4 PolarHBondContact O-OG 3.42Å; A2-S4 PolarHBondContact O-N 2.72Å; A2-S4 VanDerWaalsContact O-N 3.12Å; S4-Q7 PolarHBondContact O-N 2.76Å
5H80.2Confident76.7Confident23 Ų2351.8 Ų51.811%0.10629%0.292CS..Hα-helixtrans-73.7-37.5178-58-43.4000111.1M1 A2 Q7 S8 Q15 E18 I19M1-H5 PolarHBondContact O-CD2 3.46Å; M1-H5 VanDerWaalsContact O-CD2 3.24Å; M1-H5 PolarHBondContact O-N 2.86Å; M1-H5 PolarHBondContact O-NE2 3.5Å; A2-H5 PolarHBondContact O-N 3.09Å; H5-Q7 PolarHBondContact O-N 3.01Å; H5-Q7 VanDerWaalsContact O-N 3.15Å; H5-S8 VanDerWaalsContact O-CB 3.26Å; H5-S8 WeakPolarHBondContact O-CB 3.31Å; H5-S8 PolarHBondContact O-N 2.98Å; H5-S8 PolarHBondContact O-OG 2.78Å; H5-Q15 HydrophobicContact CB-CB 4.17Å; H5-Q15 PolarHBondContact ND1-NE2 2.81Å; H5-E18 IonicContact CD2-OE2 3.73Å; H5-E18 IonicContact NE2-OE2 3.85Å; H5-E18 PolarHBondContact NE2-OE2 2.9Å; H5-E18 VanDerWaalsContact NE2-OE2 3.12Å; H5-I19 HydrophobicContact CB-CD1 3.64Å; H5-I19 HydrophobicContact CB-CG1 3.97Å
6L78.3Confident77.3Confident0 Ų048.6 Ų48.60%027%0.273CS..THydrogen-bonded Turntrans-62.5-20.6175.7-68.8171.1000113.8A2 S8 I19 F23 E42 L43 A46 R47 L82A2-L6 WeakPolarHBondContact O-CG 3.33Å; A2-L6 PolarHBondContact O-N 3.41Å; L6-S8 VanDerWaalsContact C-N 3.34Å; L6-I19 HydrophobicContact CD2-CD1 3.77Å; L6-I19 HydrophobicContact CD2-CG1 4.32Å; L6-I19 HydrophobicContact CD2-CG2 4.09Å; L6-I19 HydrophobicContact CG-CD1 4Å; L6-I19 HydrophobicContact CG-CG1 4.28Å; L6-F23 HydrophobicContact CD1-CE2 4.27Å; L6-F23 HydrophobicContact CD1-CZ 4.41Å; L6-E42 HydrophobicContact CD1-CB 4.35Å; L6-L43 HydrophobicContact CD2-CD1 3.93Å; L6-A46 HydrophobicContact CB-CB 3.64Å; L6-R47 PolarHBondContact O-NE 3.17Å; L6-R47 VanDerWaalsContact O-NE 3.17Å; L6-R47 PolarHBondContact O-NH2 3.3Å; L6-L82 HydrophobicContact CD2-CD1 4.25Å; L6-L82 HydrophobicContact CD2-CD2 4Å
7Q78.9Confident77.6Confident71 Ų7145.9 Ų45.933%0.33226%0.258SS..THydrogen-bonded Turntrans-83.1-10175.1-65.1173.539.700113.2E3 S4 H5 A46 A50 L52E3-Q7 VanDerWaalsContact O-CG 3.29Å; E3-Q7 WeakPolarHBondContact O-CG 3.32Å; E3-Q7 PolarHBondContact O-NE2 3.27Å; S4-Q7 PolarHBondContact O-N 2.76Å; H5-Q7 PolarHBondContact O-N 3.01Å; H5-Q7 VanDerWaalsContact O-N 3.15Å; Q7-A46 HydrophobicContact CG-CB 3.9Å; Q7-A46 WeakPolarHBondContact CG-O 3.42Å; Q7-A50 HydrophobicContact CB-CB 3.95Å; Q7-A50 HydrophobicContact CG-CB 3.96Å; Q7-L52 VanDerWaalsContact O-CD1 3.26Å; Q7-L52 WeakPolarHBondContact O-CD1 3.4Å
8S77.9Confident78Confident35 Ų3548.7 Ų48.725%0.24527%0.269CS..SBendtrans-76.4145-177.8-610000111.3H5 L6 L10 R47H5-S8 VanDerWaalsContact O-CB 3.26Å; H5-S8 WeakPolarHBondContact O-CB 3.31Å; H5-S8 PolarHBondContact O-N 2.98Å; H5-S8 PolarHBondContact O-OG 2.78Å; L6-S8 VanDerWaalsContact C-N 3.34Å; S8-L10 VanDerWaalsContact C-N 3.3Å; S8-L10 WeakPolarHBondContact CB-O 3.14Å; S8-R47 PolarHBondContact O-NH2 3.43Å; S8-R47 VanDerWaalsContact O-NH2 3.13Å
9S72.1Confident78.5Confident104 Ų10446.2 Ų46.273%0.72726%0.255SS*.SBendtrans-69.5-30.8175.751.50000112.3
10L80.8Confident78.9Confident97 Ų9744.1 Ų44.151%0.50824%0.243SC..SBendtrans-133.9132.6172.8-167.7101.9000108.5S8 P83 E85S8-L10 VanDerWaalsContact C-N 3.3Å; S8-L10 WeakPolarHBondContact CB-O 3.14Å; L10-P83 WeakPolarHBondContact CA-O 3.43Å; L10-E85 HydrophobicContact CD2-CB 4.21Å
11I85.1Confident79.2Confident0 Ų046.4 Ų46.40%025%0.254CS..BIsolated β-bridgetrans-102.4122.5177.9-58.2-178.3000107.5Q15 F16 I19 L82 P83 T84 E85I11-Q15 HydrophobicContact CG2-CB 3.71Å; I11-F16 HydrophobicContact CG2-CB 3.76Å; I11-I19 HydrophobicContact CD1-CD1 3.82Å; I11-I19 HydrophobicContact CG2-CD1 4.14Å; I11-L82 HydrophobicContact CD1-CB 4.19Å; I11-L82 HydrophobicContact CD1-CD1 4.21Å; I11-L82 HydrophobicContact CD1-CD2 4.48Å; I11-P83 HydrophobicContact CG1-CG 4.41Å; I11-P83 PolarHBondContact N-O 3.34Å; I11-T84 CarbonylContact O-C 3.51Å; I11-T84 VanDerWaalsContact O-CA 3.29Å; I11-T84 WeakPolarHBondContact O-CA 3.33Å; I11-E85 PolarHBondContact O-N 3.11Å
12T84.6Confident80.5Confident48 Ų4842.2 Ų42.229%0.29423%0.232SC..  trans-69161.1172.857.10000110.3S14 Q15 F16T12-S14 PolarHBondContact O-N 2.82Å; T12-S14 PolarHBondContact OG1-OG 3.02Å; T12-Q15 PolarHBondContact O-N 2.89Å; T12-Q15 WeakPolarHBondContact OG1-CB 3.11Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.19Å; T12-Q15 PolarHBondContact OG1-N 3.49Å; T12-Q15 PolarHBondContact OG1-OE1 3.05Å; T12-F16 PolarHBondContact O-N 3.24Å
13A81Confident81.7Confident0 Ų042.5 Ų42.50%023%0.233CC..Hα-helixtrans-47.8-62.217400000110.4Q15 F16 F17 E85 F88 Y146 L149A13-Q15 VanDerWaalsContact C-N 3.31Å; A13-Q15 PolarHBondContact O-N 2.86Å; A13-Q15 VanDerWaalsContact O-N 3.17Å; A13-F16 WeakPolarHBondContact O-CA 3.44Å; A13-F16 VanDerWaalsContact O-CB 3.27Å; A13-F16 WeakPolarHBondContact O-CB 3.3Å; A13-F16 PolarHBondContact O-N 2.98Å; A13-F17 HydrophobicContact CB-CD2 4.46Å; A13-F17 HydrophobicContact CB-CE2 4.02Å; A13-F17 WeakPolarHBondContact O-CD2 3.29Å; A13-F17 PolarHBondContact O-N 3.31Å; A13-E85 WeakPolarHBondContact CB-OE1 3.04Å; A13-E85 PolarHBondContact N-OE1 3.18Å; A13-F88 HydrophobicContact CB-CB 4.16Å; A13-F88 HydrophobicContact CB-CD1 4.42Å; A13-F88 HydrophobicContact CB-CD2 3.52Å; A13-F88 HydrophobicContact CB-CE2 3.94Å; A13-F88 HydrophobicContact CB-CG 3.78Å; A13-F88 HydrophobicContact CB-CZ 4.49Å; A13-Y146 HydrophobicContact CB-CD1 3.92Å; A13-Y146 HydrophobicContact CB-CE1 3.59Å; A13-L149 HydrophobicContact CB-CD1 3.77Å
14S82.4Confident82.5Confident37 Ų3740.3 Ų40.326%0.25922%0.223SC..Hα-helixtrans-49.2-44.8179.838.50000114.3T12 F16 F17 E18 E145T12-S14 PolarHBondContact O-N 2.82Å; T12-S14 PolarHBondContact OG1-OG 3.02Å; S14-F16 PolarHBondContact O-N 3.42Å; S14-F17 WeakPolarHBondContact O-CB 3.07Å; S14-F17 PolarHBondContact O-N 2.94Å; S14-E18 PolarHBondContact O-N 3.35Å; S14-E145 PolarHBondContact OG-OE1 2.97Å
15Q86.1Confident82.8Confident47 Ų4741.2 Ų41.222%0.2224%0.235CC..Hα-helixtrans-66.4-36.1176.2-70.6171.3-33.100113.4H5 I11 T12 A13 F17 E18 I19H5-Q15 HydrophobicContact CB-CB 4.17Å; H5-Q15 PolarHBondContact ND1-NE2 2.81Å; I11-Q15 HydrophobicContact CG2-CB 3.71Å; T12-Q15 PolarHBondContact O-N 2.89Å; T12-Q15 WeakPolarHBondContact OG1-CB 3.11Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.19Å; T12-Q15 PolarHBondContact OG1-N 3.49Å; T12-Q15 PolarHBondContact OG1-OE1 3.05Å; A13-Q15 VanDerWaalsContact C-N 3.31Å; A13-Q15 PolarHBondContact O-N 2.86Å; A13-Q15 VanDerWaalsContact O-N 3.17Å; Q15-F17 VanDerWaalsContact C-N 3.33Å; Q15-E18 PolarHBondContact O-N 3.07Å; Q15-I19 WeakPolarHBondContact O-CG1 3.42Å; Q15-I19 PolarHBondContact O-N 2.92Å
16F86.5Confident82.7Confident0 Ų044.8 Ų44.80%025%0.254CS..Hα-helixtrans-64.3-40.7174.8173.9-90.7000110.8I11 T12 A13 S14 I19 W20 I75 L78 A79 L82 T84 F88I11-F16 HydrophobicContact CG2-CB 3.76Å; T12-F16 PolarHBondContact O-N 3.24Å; A13-F16 WeakPolarHBondContact O-CA 3.44Å; A13-F16 VanDerWaalsContact O-CB 3.27Å; A13-F16 WeakPolarHBondContact O-CB 3.3Å; A13-F16 PolarHBondContact O-N 2.98Å; S14-F16 PolarHBondContact O-N 3.42Å; F16-I19 WeakPolarHBondContact O-CB 3.45Å; F16-I19 PolarHBondContact O-N 2.96Å; F16-W20 PolarHBondContact O-N 2.63Å; F16-I75 HydrophobicContact CE1-CD1 3.68Å; F16-I75 HydrophobicContact CE1-CG1 3.46Å; F16-I75 VanDerWaalsContact CE1-CG1 3.46Å; F16-I75 HydrophobicContact CZ-CD1 4.41Å; F16-I75 HydrophobicContact CZ-CG1 3.71Å; F16-L78 HydrophobicContact CE2-CB 4.26Å; F16-L78 HydrophobicContact CE2-CD2 4.19Å; F16-L78 HydrophobicContact CE2-CG 3.92Å; F16-L78 HydrophobicContact CZ-CB 4.18Å; F16-L78 HydrophobicContact CZ-CD2 4.38Å; F16-L78 HydrophobicContact CZ-CG 4.26Å; F16-A79 HydrophobicContact CE1-CB 4.33Å; F16-A79 VanDerWaalsContact CE2-CA 3.48Å; F16-A79 HydrophobicContact CE2-CB 4.04Å; F16-A79 HydrophobicContact CZ-CB 3.69Å; F16-L82 HydrophobicContact CD2-CB 4.3Å; F16-L82 HydrophobicContact CD2-CD1 3.81Å; F16-L82 HydrophobicContact CE2-CB 4.35Å; F16-L82 HydrophobicContact CE2-CD1 3.89Å; F16-L82 HydrophobicContact CE2-CG 4.48Å; F16-T84 HydrophobicContact CB-CG2 3.82Å; F16-T84 HydrophobicContact CD2-CG2 4.16Å; F16-T84 WeakPolarHBondContact CD2-OG1 3.21Å; F16-T84 HydrophobicContact CG-CG2 4.02Å; F16-F88 AromaticContact CD1-CE1 3.57Å; F16-F88 HydrophobicContact CD1-CE1 3.57Å; F16-F88 HydrophobicContact CD1-CZ 4.05Å; F16-F88 AromaticContact CE1-CE1 3.96Å; F16-F88 HydrophobicContact CE1-CE1 3.96Å; F16-F88 HydrophobicContact CE1-CZ 4.43Å; F16-F88 HydrophobicContact CG-CE1 4.19Å
17F82.6Confident82.6Confident4 Ų446.8 Ų46.82%0.01828%0.275CS..Hα-helixtrans-62.8-43.7174.3-71-91.4000112.5A13 S14 Q15 I19 W20 L21 F88 L149 L153A13-F17 HydrophobicContact CB-CD2 4.46Å; A13-F17 HydrophobicContact CB-CE2 4.02Å; A13-F17 WeakPolarHBondContact O-CD2 3.29Å; A13-F17 PolarHBondContact O-N 3.31Å; S14-F17 WeakPolarHBondContact O-CB 3.07Å; S14-F17 PolarHBondContact O-N 2.94Å; Q15-F17 VanDerWaalsContact C-N 3.33Å; F17-I19 VanDerWaalsContact C-N 3.25Å; F17-I19 PolarHBondContact O-N 2.93Å; F17-W20 PolarHBondContact O-N 2.75Å; F17-W20 VanDerWaalsContact O-N 3.14Å; F17-L21 WeakPolarHBondContact O-CB 3.3Å; F17-L21 WeakPolarHBondContact O-CG 3.31Å; F17-L21 PolarHBondContact O-N 3.14Å; F17-F88 HydrophobicContact CD2-CE2 4.44Å; F17-F88 HydrophobicContact CD2-CZ 4.14Å; F17-F88 HydrophobicContact CE1-CZ 4.27Å; F17-F88 HydrophobicContact CE2-CD2 4.2Å; F17-F88 HydrophobicContact CE2-CE1 4.16Å; F17-F88 AromaticContact CE2-CE2 3.16Å; F17-F88 HydrophobicContact CE2-CE2 3.16Å; F17-F88 AromaticContact CE2-CZ 3.1Å; F17-F88 HydrophobicContact CE2-CZ 3.1Å; F17-F88 HydrophobicContact CZ-CE1 4.47Å; F17-F88 AromaticContact CZ-CE2 3.26Å; F17-F88 HydrophobicContact CZ-CE2 3.26Å; F17-F88 AromaticContact CZ-CZ 3.19Å; F17-F88 HydrophobicContact CZ-CZ 3.19Å; F17-L149 HydrophobicContact CB-CD2 4.22Å; F17-L149 HydrophobicContact CD1-CB 4.06Å; F17-L149 HydrophobicContact CD2-CB 3.62Å; F17-L149 HydrophobicContact CD2-CD1 3.61Å; F17-L149 HydrophobicContact CD2-CD2 3.67Å; F17-L149 HydrophobicContact CD2-CG 3.82Å; F17-L149 VanDerWaalsContact CE1-C 3.43Å; F17-L149 HydrophobicContact CE1-CB 3.6Å; F17-L149 WeakPolarHBondContact CE1-O 3.41Å; F17-L149 HydrophobicContact CE2-CB 3.3Å; F17-L149 HydrophobicContact CE2-CD1 3.53Å; F17-L149 HydrophobicContact CE2-CD2 4.24Å; F17-L149 HydrophobicContact CE2-CG 3.87Å; F17-L149 HydrophobicContact CG-CB 4.09Å; F17-L149 HydrophobicContact CG-CD2 3.94Å; F17-L149 HydrophobicContact CG-CG 4.44Å; F17-L149 HydrophobicContact CZ-CB 3.31Å; F17-L149 HydrophobicContact CZ-CD1 4.39Å; F17-L149 HydrophobicContact CZ-CG 4.35Å; F17-L153 HydrophobicContact CD1-CD1 3.34Å; F17-L153 HydrophobicContact CD1-CD2 3.48Å; F17-L153 VanDerWaalsContact CD1-CD2 3.48Å; F17-L153 HydrophobicContact CD1-CG 3.16Å; F17-L153 HydrophobicContact CE1-CB 4.29Å; F17-L153 HydrophobicContact CE1-CD1 2.9Å; F17-L153 HydrophobicContact CE1-CD2 4Å; F17-L153 HydrophobicContact CE1-CG 3.15Å; F17-L153 HydrophobicContact CG-CG 4.49Å; F17-L153 HydrophobicContact CZ-CD1 3.88Å; F17-L153 HydrophobicContact CZ-CG 4.44Å
18E85.4Confident82.4Confident96 Ų9645 Ų4545%0.44927%0.271SS..Hα-helixtrans-61.8-35.4176-72.5-178.5-161.500112.2H5 S14 Q15 H22H5-E18 IonicContact CD2-OE2 3.73Å; H5-E18 IonicContact NE2-OE2 3.85Å; H5-E18 PolarHBondContact NE2-OE2 2.9Å; H5-E18 VanDerWaalsContact NE2-OE2 3.12Å; S14-E18 PolarHBondContact O-N 3.35Å; Q15-E18 PolarHBondContact O-N 3.07Å; E18-H22 VanDerWaalsContact O-CB 3.23Å; E18-H22 WeakPolarHBondContact O-CB 3.44Å; E18-H22 PolarHBondContact O-N 2.91Å
19I87.4Confident82.3Confident0 Ų043.8 Ų43.80%026%0.264CS..Hα-helixtrans-65.2-50.7171.6-70.1162.1000109.8A2 H5 L6 I11 Q15 F16 F17 H22 F23 L39 L82A2-I19 HydrophobicContact CB-CG1 4.25Å; H5-I19 HydrophobicContact CB-CD1 3.64Å; H5-I19 HydrophobicContact CB-CG1 3.97Å; L6-I19 HydrophobicContact CD2-CD1 3.77Å; L6-I19 HydrophobicContact CD2-CG1 4.32Å; L6-I19 HydrophobicContact CD2-CG2 4.09Å; L6-I19 HydrophobicContact CG-CD1 4Å; L6-I19 HydrophobicContact CG-CG1 4.28Å; I11-I19 HydrophobicContact CD1-CD1 3.82Å; I11-I19 HydrophobicContact CG2-CD1 4.14Å; Q15-I19 WeakPolarHBondContact O-CG1 3.42Å; Q15-I19 PolarHBondContact O-N 2.92Å; F16-I19 WeakPolarHBondContact O-CB 3.45Å; F16-I19 PolarHBondContact O-N 2.96Å; F17-I19 VanDerWaalsContact C-N 3.25Å; F17-I19 PolarHBondContact O-N 2.93Å; I19-H22 WeakPolarHBondContact O-CB 3.32Å; I19-H22 PolarHBondContact O-N 3.41Å; I19-F23 HydrophobicContact CG2-CD2 3.95Å; I19-F23 HydrophobicContact CG2-CE2 3.94Å; I19-F23 WeakPolarHBondContact O-CD2 3.36Å; I19-F23 PolarHBondContact O-N 3.16Å; I19-L39 HydrophobicContact CG2-CD1 4.34Å; I19-L82 HydrophobicContact CD1-CD1 4.33Å; I19-L82 HydrophobicContact CG2-CD1 4.17Å
20W86.4Confident82.7Confident5 Ų539.3 Ų39.32%0.01923%0.231CC..Hα-helixtrans-56.5-56.7-178.2-178.3-88.6000111.6F16 F17 H22 F23 D24 G29 L31 G74 I75 L78 L153F16-W20 PolarHBondContact O-N 2.63Å; F17-W20 PolarHBondContact O-N 2.75Å; F17-W20 VanDerWaalsContact O-N 3.14Å; W20-H22 PolarHBondContact O-N 2.97Å; W20-H22 VanDerWaalsContact O-N 3.14Å; W20-F23 PolarHBondContact O-N 2.87Å; W20-D24 PolarHBondContact NE1-OD2 3.01Å; W20-D24 WeakPolarHBondContact O-CB 3.45Å; W20-D24 PolarHBondContact O-N 2.73Å; W20-G29 WeakPolarHBondContact CZ2-O 3.5Å; W20-L31 HydrophobicContact CE3-CD1 3.93Å; W20-L31 HydrophobicContact CE3-CG 4.31Å; W20-L31 HydrophobicContact CH2-CD1 4.08Å; W20-L31 HydrophobicContact CH2-CG 3.71Å; W20-L31 HydrophobicContact CZ2-CG 4.23Å; W20-L31 HydrophobicContact CZ3-CD1 3.56Å; W20-L31 HydrophobicContact CZ3-CG 3.74Å; W20-G74 VanDerWaalsContact CH2-C 3.44Å; W20-I75 HydrophobicContact CB-CD1 4.46Å; W20-I75 HydrophobicContact CD2-CB 4.01Å; W20-I75 HydrophobicContact CD2-CD1 3.87Å; W20-I75 HydrophobicContact CD2-CG1 3.74Å; W20-I75 HydrophobicContact CE3-CB 3.89Å; W20-I75 HydrophobicContact CE3-CD1 4.28Å; W20-I75 HydrophobicContact CE3-CG1 3.65Å; W20-I75 HydrophobicContact CG-CD1 3.92Å; W20-I75 HydrophobicContact CG-CG1 4.27Å; W20-I75 VanDerWaalsContact CH2-CA 3.46Å; W20-I75 HydrophobicContact CH2-CB 3.82Å; W20-I75 HydrophobicContact CH2-CG1 4.5Å; W20-I75 HydrophobicContact CZ2-CB 3.91Å; W20-I75 HydrophobicContact CZ3-CB 3.82Å; W20-I75 HydrophobicContact CZ3-CG1 4.07Å; W20-L78 HydrophobicContact CE3-CB 4.19Å; W20-L78 HydrophobicContact CE3-CD2 3.57Å; W20-L78 HydrophobicContact CZ3-CB 3.9Å; W20-L78 HydrophobicContact CZ3-CD2 3.94Å; W20-L153 HydrophobicContact CB-CD2 4.49Å; W20-L153 VanDerWaalsContact CD1-CD2 3.48Å; W20-L153 HydrophobicContact CG-CD2 4.1Å
21L83.9Confident82.9Confident92 Ų9234.7 Ų34.748%0.48221%0.206SC..Hα-helixtrans-61.8-23.7-179.6-68.8173.2000113.2F17 L153F17-L21 WeakPolarHBondContact O-CB 3.3Å; F17-L21 WeakPolarHBondContact O-CG 3.31Å; F17-L21 PolarHBondContact O-N 3.14Å; L21-L153 HydrophobicContact CD2-CD2 4.3Å; L21-L153 HydrophobicContact CG-CD2 4.41Å
22H87Confident83Confident101 Ų10138.2 Ų38.247%0.46822%0.223SC..Hα-helixtrans-72.1-35.1175.3-174.559.2000112.5A2 E18 I19 W20A2-H22 HydrophobicContact CB-CB 3.97Å; E18-H22 VanDerWaalsContact O-CB 3.23Å; E18-H22 WeakPolarHBondContact O-CB 3.44Å; E18-H22 PolarHBondContact O-N 2.91Å; I19-H22 WeakPolarHBondContact O-CB 3.32Å; I19-H22 PolarHBondContact O-N 3.41Å; W20-H22 PolarHBondContact O-N 2.97Å; W20-H22 VanDerWaalsContact O-N 3.14Å
23F86.3Confident83Confident9 Ų936.9 Ų36.94%0.03922%0.219CC..Hα-helixtrans-95.5-32-177.1-68.4-68.7000113.2A2 L6 I19 W20 A25 L31 E35 N38 L39 E42A2-F23 HydrophobicContact CB-CE2 4.47Å; L6-F23 HydrophobicContact CD1-CE2 4.27Å; L6-F23 HydrophobicContact CD1-CZ 4.41Å; I19-F23 HydrophobicContact CG2-CD2 3.95Å; I19-F23 HydrophobicContact CG2-CE2 3.94Å; I19-F23 WeakPolarHBondContact O-CD2 3.36Å; I19-F23 PolarHBondContact O-N 3.16Å; W20-F23 PolarHBondContact O-N 2.87Å; F23-A25 PolarHBondContact O-N 3.07Å; F23-L31 HydrophobicContact CB-CD1 4.3Å; F23-L31 HydrophobicContact CB-CD2 3.73Å; F23-E35 VanDerWaalsContact O-CB 3.31Å; F23-E35 WeakPolarHBondContact O-CB 3.45Å; F23-E35 VanDerWaalsContact O-CD 3.24Å; F23-E35 VanDerWaalsContact O-CG 3.24Å; F23-E35 WeakPolarHBondContact O-CG 3.19Å; F23-N38 HydrophobicContact CD1-CB 4.25Å; F23-N38 HydrophobicContact CE1-CB 4.31Å; F23-L39 HydrophobicContact CB-CB 4.42Å; F23-L39 HydrophobicContact CD1-CB 3.95Å; F23-L39 HydrophobicContact CD2-CB 4.18Å; F23-L39 HydrophobicContact CD2-CD1 3.49Å; F23-L39 VanDerWaalsContact CD2-CD1 3.49Å; F23-L39 HydrophobicContact CD2-CG 4.41Å; F23-L39 HydrophobicContact CE1-CB 4.28Å; F23-L39 HydrophobicContact CE2-CB 4.5Å; F23-L39 HydrophobicContact CE2-CD1 3.57Å; F23-L39 HydrophobicContact CG-CB 3.92Å; F23-L39 HydrophobicContact CG-CD1 4.11Å; F23-L39 HydrophobicContact CZ-CD1 4.23Å; F23-E42 HydrophobicContact CE1-CB 4.15Å; F23-E42 HydrophobicContact CE1-CG 4.15Å; F23-E42 HydrophobicContact CZ-CB 3.74Å; F23-E42 HydrophobicContact CZ-CG 4.11Å
24D85.6Confident83.1Confident13 Ų1344.8 Ų44.87%0.0725%0.253CS..  trans-79.467.3173.3-17312.4000108.7W20 D26 G27 S28 G29 L31W20-D24 PolarHBondContact NE1-OD2 3.01Å; W20-D24 WeakPolarHBondContact O-CB 3.45Å; W20-D24 PolarHBondContact O-N 2.73Å; D24-D26 VanDerWaalsContact C-N 3.32Å; D24-G27 PolarHBondContact O-N 2.94Å; D24-G27 WeakPolarHBondContact OD1-CA 3.44Å; D24-G27 PolarHBondContact OD1-N 3.35Å; D24-S28 PolarHBondContact OD1-N 3.03Å; D24-S28 VanDerWaalsContact OD1-N 3.07Å; D24-G29 PolarHBondContact OD1-N 2.93Å; D24-G29 VanDerWaalsContact OD2-CA 3.28Å; D24-G29 WeakPolarHBondContact OD2-CA 3.34Å; D24-G29 PolarHBondContact OD2-N 2.83Å; D24-L31 HydrophobicContact CB-CD2 3.71Å; D24-L31 VanDerWaalsContact N-CD2 3.26Å
25A79.4Confident83.4Confident84 Ų8444.2 Ų44.269%0.69425%0.246SC*.  trans-75.5-26.9-171.100000111.7F23 G27 E35F23-A25 PolarHBondContact O-N 3.07Å; A25-G27 VanDerWaalsContact C-N 3.35Å; A25-E35 PolarHBondContact N-OE1 3.28Å
26D79Confident83.4Confident97 Ų9742 Ų4252%0.51924%0.236SC..SBendtrans-83.9-9.9173.472.18.6000113.8D24 S28 E35D24-D26 VanDerWaalsContact C-N 3.32Å; D26-S28 PolarHBondContact O-N 3.41Å; D26-S28 WeakPolarHBondContact OD1-CB 3.32Å; D26-S28 PolarHBondContact OD1-N 3.48Å; D26-S28 PolarHBondContact OD1-OG 2.97Å; D26-E35 PolarHBondContact N-OE1 2.91Å; D26-E35 VanDerWaalsContact N-OE1 3.08Å
27G75.8Confident83.4Confident42 Ų4245 Ų4543%0.43325%0.25SS..  trans6423-179.700000112.5D24 A25 G29D24-G27 PolarHBondContact O-N 2.94Å; D24-G27 WeakPolarHBondContact OD1-CA 3.44Å; D24-G27 PolarHBondContact OD1-N 3.35Å; A25-G27 VanDerWaalsContact C-N 3.35Å; G27-G29 PolarHBondContact O-N 3.49Å
28S74.4Confident83.6Confident35 Ų3548.7 Ų48.725%0.24527%0.27CS..SBendtrans-67.1-16.8178.767.10000111.9D24 D26 Y30D24-S28 PolarHBondContact OD1-N 3.03Å; D24-S28 VanDerWaalsContact OD1-N 3.07Å; D26-S28 PolarHBondContact O-N 3.41Å; D26-S28 WeakPolarHBondContact OD1-CB 3.32Å; D26-S28 PolarHBondContact OD1-N 3.48Å; D26-S28 PolarHBondContact OD1-OG 2.97Å; S28-Y30 WeakPolarHBondContact O-CD2 3.36Å; S28-Y30 PolarHBondContact OG-N 2.82Å; S28-Y30 PolarHBondContact OG-O 3.24Å
29G76.2Confident83.8Confident9 Ų944.1 Ų44.19%0.09325%0.249CC..SBendtrans78.713.1-173.500000112.4W20 D24 G27W20-G29 WeakPolarHBondContact CZ2-O 3.5Å; D24-G29 PolarHBondContact OD1-N 2.93Å; D24-G29 VanDerWaalsContact OD2-CA 3.28Å; D24-G29 WeakPolarHBondContact OD2-CA 3.34Å; D24-G29 PolarHBondContact OD2-N 2.83Å; G27-G29 PolarHBondContact O-N 3.49Å
30Y81.6Confident83.8Confident9 Ų944.5 Ų44.54%0.03525%0.251CS..EExtended strand (participates in β ladder)trans-142.4138.8177.6-62.6-78.8000110.2S28 K72 I73 V173 L179S28-Y30 WeakPolarHBondContact O-CD2 3.36Å; S28-Y30 PolarHBondContact OG-N 2.82Å; S28-Y30 PolarHBondContact OG-O 3.24Å; Y30-K72 VanDerWaalsContact CB-CE 3.46Å; Y30-K72 HydrophobicContact CD1-CD 4.34Å; Y30-K72 HydrophobicContact CD1-CG 4.16Å; Y30-K72 VanDerWaalsContact CD2-CE 3.44Å; Y30-K72 HydrophobicContact CG-CD 4.27Å; Y30-K72 HydrophobicContact CG-CG 4.22Å; Y30-I73 WeakPolarHBondContact CA-O 3.43Å; Y30-V173 HydrophobicContact CD1-CG2 4.29Å; Y30-V173 HydrophobicContact CE1-CG2 3.74Å; Y30-L179 HydrophobicContact CE2-CD1 4.29Å; Y30-L179 HydrophobicContact CE2-CD2 4.01Å; Y30-L179 WeakPolarHBondContact OH-CD1 3.49Å; Y30-L179 WeakPolarHBondContact OH-CD2 3.05Å
31L85.1Confident83.8Confident0 Ų049.8 Ų49.80%028%0.275CS..EExtended strand (participates in β ladder)trans-92.1113.8171.6-54.4173000108.4W20 F23 D24 E35 L36 L39 I73 L78W20-L31 HydrophobicContact CE3-CD1 3.93Å; W20-L31 HydrophobicContact CE3-CG 4.31Å; W20-L31 HydrophobicContact CH2-CD1 4.08Å; W20-L31 HydrophobicContact CH2-CG 3.71Å; W20-L31 HydrophobicContact CZ2-CG 4.23Å; W20-L31 HydrophobicContact CZ3-CD1 3.56Å; W20-L31 HydrophobicContact CZ3-CG 3.74Å; F23-L31 HydrophobicContact CB-CD1 4.3Å; F23-L31 HydrophobicContact CB-CD2 3.73Å; D24-L31 HydrophobicContact CB-CD2 3.71Å; D24-L31 VanDerWaalsContact N-CD2 3.26Å; L31-E35 HydrophobicContact CD2-CB 4.24Å; L31-L36 HydrophobicContact CB-CB 4.4Å; L31-L39 HydrophobicContact CD1-CD2 3.55Å; L31-I73 HydrophobicContact CB-CD1 4.15Å; L31-I73 HydrophobicContact CB-CG1 3.78Å; L31-I73 HydrophobicContact CD1-CD1 3.99Å; L31-I73 PolarHBondContact N-O 3.32Å; L31-I73 PolarHBondContact O-N 3.1Å; L31-L78 HydrophobicContact CD1-CD2 4.08Å
32E86.3Confident84.1Confident75 Ų7547.9 Ų47.935%0.3526%0.264SS..EExtended strand (participates in β ladder)trans-133.5155.7179.561.3-173.9-163.400113.6K34 E35 G71 K72E32-K34 PolarHBondContact O-N 2.92Å; E32-E35 PolarHBondContact O-N 3.25Å; E32-E35 VanDerWaalsContact O-N 3.11Å; E32-G71 WeakPolarHBondContact CA-O 3.42Å; E32-K72 HydrophobicContact CB-CB 4.29Å; E32-K72 HydrophobicContact CB-CG 4.32Å; E32-K72 IonicContact OE1-NZ 3.01Å; E32-K72 WeakPolarHBondContact OE2-CD 3.23Å; E32-K72 WeakPolarHBondContact OE2-CE 3.35Å; E32-K72 IonicContact OE2-NZ 2.68Å; E32-K72 PolarHBondContact OE2-NZ 2.91Å
33G84.2Confident84Confident20 Ų2043 Ų4321%0.20624%0.242CC..THydrogen-bonded Turntrans52.7-112.3178.500000113.4Q37G33-Q37 WeakPolarHBondContact O-CG 3.5Å; G33-Q37 PolarHBondContact O-N 3.1Å
34K84.3Confident84Confident165 Ų16545.5 Ų45.572%0.71726%0.255SS*.Hα-helixtrans-69.8-33.6-176.5-72.9-178-178.8175.50113.4E32 Q37 N38E32-K34 PolarHBondContact O-N 2.92Å; K34-Q37 PolarHBondContact O-N 3.33Å; K34-N38 WeakPolarHBondContact O-CB 3.46Å; K34-N38 PolarHBondContact O-N 3.23Å; K34-N38 PolarHBondContact O-ND2 3.01Å; K34-N38 PolarHBondContact O-OD1 3.45Å
35E88.4Confident84.1Confident25 Ų2549.5 Ų49.512%0.11727%0.273CS..Hα-helixtrans-65.2-45.5-179.6-65.8-178.2148.600110.6F23 A25 D26 L31 E32 Q37 N38 L39F23-E35 VanDerWaalsContact O-CB 3.31Å; F23-E35 WeakPolarHBondContact O-CB 3.45Å; F23-E35 VanDerWaalsContact O-CD 3.24Å; F23-E35 VanDerWaalsContact O-CG 3.24Å; F23-E35 WeakPolarHBondContact O-CG 3.19Å; A25-E35 PolarHBondContact N-OE1 3.28Å; D26-E35 PolarHBondContact N-OE1 2.91Å; D26-E35 VanDerWaalsContact N-OE1 3.08Å; L31-E35 HydrophobicContact CD2-CB 4.24Å; E32-E35 PolarHBondContact O-N 3.25Å; E32-E35 VanDerWaalsContact O-N 3.11Å; E35-Q37 PolarHBondContact O-N 3.5Å; E35-N38 PolarHBondContact O-N 3.02Å; E35-L39 WeakPolarHBondContact O-CB 3.28Å; E35-L39 PolarHBondContact O-N 3.05Å
36L86.5Confident84.4Confident1 Ų145.5 Ų45.51%0.00524%0.24CC..Hα-helixtrans-62.5-42.5175-177.951.9000112.2L31 L39 I40 F61 Y65 G71 I73L31-L36 HydrophobicContact CB-CB 4.4Å; L36-L39 HydrophobicContact CD1-CD2 4.32Å; L36-L39 PolarHBondContact O-N 3.48Å; L36-I40 HydrophobicContact CD1-CD1 4.09Å; L36-I40 HydrophobicContact CD1-CG1 4.38Å; L36-I40 HydrophobicContact CG-CD1 4.16Å; L36-I40 WeakPolarHBondContact O-CG1 3.45Å; L36-I40 PolarHBondContact O-N 2.87Å; L36-F61 HydrophobicContact CD1-CE1 4.28Å; L36-F61 HydrophobicContact CD1-CE2 4.33Å; L36-F61 HydrophobicContact CD1-CZ 3.54Å; L36-Y65 HydrophobicContact CD2-CD1 3.77Å; L36-Y65 HydrophobicContact CD2-CG 4.11Å; L36-G71 WeakPolarHBondContact CD2-O 3.21Å; L36-I73 HydrophobicContact CD1-CD1 3.72Å; L36-I73 HydrophobicContact CD1-CG1 3.78Å; L36-I73 HydrophobicContact CD2-CG1 4.44Å; L36-I73 HydrophobicContact CD2-CG2 4.31Å
37Q85.8Confident84.6Confident64 Ų6441.7 Ų41.730%0.29922%0.218SC..Hα-helixtrans-64.1-41.6176.1-74.6-179.63.800112.5G33 K34 E35 I40 Q41 D69G33-Q37 WeakPolarHBondContact O-CG 3.5Å; G33-Q37 PolarHBondContact O-N 3.1Å; K34-Q37 PolarHBondContact O-N 3.33Å; E35-Q37 PolarHBondContact O-N 3.5Å; Q37-I40 PolarHBondContact O-N 2.99Å; Q37-Q41 WeakPolarHBondContact O-CB 3.14Å; Q37-Q41 WeakPolarHBondContact O-CG 3.33Å; Q37-Q41 PolarHBondContact O-N 3.2Å; Q37-D69 PolarHBondContact NE2-OD1 2.75Å
38N87.8Confident85.1Confident81 Ų8148.2 Ų48.243%0.43324%0.235SC..Hα-helixtrans-62.9-46.1176.5-70.3-15.2000110.8F23 K34 E35 I40 Q41 E42F23-N38 HydrophobicContact CD1-CB 4.25Å; F23-N38 HydrophobicContact CE1-CB 4.31Å; K34-N38 WeakPolarHBondContact O-CB 3.46Å; K34-N38 PolarHBondContact O-N 3.23Å; K34-N38 PolarHBondContact O-ND2 3.01Å; K34-N38 PolarHBondContact O-OD1 3.45Å; E35-N38 PolarHBondContact O-N 3.02Å; N38-I40 VanDerWaalsContact C-N 3.35Å; N38-I40 PolarHBondContact O-N 3.41Å; N38-Q41 PolarHBondContact O-N 3.28Å; N38-E42 WeakPolarHBondContact O-CB 3.21Å; N38-E42 PolarHBondContact O-N 3.29Å
39L89Confident85.6Confident0 Ų052.9 Ų52.90%025%0.251CS..Hα-helixtrans-54.9-49.5174.217070.4000111.3I19 F23 L31 E35 L36 E42 L43 F61 I73 L78I19-L39 HydrophobicContact CG2-CD1 4.34Å; F23-L39 HydrophobicContact CB-CB 4.42Å; F23-L39 HydrophobicContact CD1-CB 3.95Å; F23-L39 HydrophobicContact CD2-CB 4.18Å; F23-L39 HydrophobicContact CD2-CD1 3.49Å; F23-L39 VanDerWaalsContact CD2-CD1 3.49Å; F23-L39 HydrophobicContact CD2-CG 4.41Å; F23-L39 HydrophobicContact CE1-CB 4.28Å; F23-L39 HydrophobicContact CE2-CB 4.5Å; F23-L39 HydrophobicContact CE2-CD1 3.57Å; F23-L39 HydrophobicContact CG-CB 3.92Å; F23-L39 HydrophobicContact CG-CD1 4.11Å; F23-L39 HydrophobicContact CZ-CD1 4.23Å; L31-L39 HydrophobicContact CD1-CD2 3.55Å; E35-L39 WeakPolarHBondContact O-CB 3.28Å; E35-L39 PolarHBondContact O-N 3.05Å; L36-L39 HydrophobicContact CD1-CD2 4.32Å; L36-L39 PolarHBondContact O-N 3.48Å; L39-E42 PolarHBondContact O-N 2.96Å; L39-L43 WeakPolarHBondContact O-CB 3.42Å; L39-L43 PolarHBondContact O-N 3.13Å; L39-F61 HydrophobicContact CD2-CE1 4.24Å; L39-F61 HydrophobicContact CD2-CZ 4.12Å; L39-I73 HydrophobicContact CD2-CD1 4.21Å; L39-L78 HydrophobicContact CD1-CD1 4.43Å; L39-L78 HydrophobicContact CD1-CD2 4.46Å; L39-L78 HydrophobicContact CD2-CD1 3.54Å; L39-L78 HydrophobicContact CD2-CD2 4.1Å; L39-L78 HydrophobicContact CD2-CG 4.44Å
40I87.1Confident85.8Confident8 Ų854.3 Ų54.34%0.04126%0.262CS..Hα-helixtrans-62.4-45.5-179.2-72.9168.9000110.7L36 Q37 N38 L43 L44 F61 V62L36-I40 HydrophobicContact CD1-CD1 4.09Å; L36-I40 HydrophobicContact CD1-CG1 4.38Å; L36-I40 HydrophobicContact CG-CD1 4.16Å; L36-I40 WeakPolarHBondContact O-CG1 3.45Å; L36-I40 PolarHBondContact O-N 2.87Å; Q37-I40 PolarHBondContact O-N 2.99Å; N38-I40 VanDerWaalsContact C-N 3.35Å; N38-I40 PolarHBondContact O-N 3.41Å; I40-L43 PolarHBondContact O-N 3.18Å; I40-L44 HydrophobicContact CG2-CD1 4Å; I40-L44 WeakPolarHBondContact O-CB 3.49Å; I40-L44 WeakPolarHBondContact O-CG 3.23Å; I40-L44 PolarHBondContact O-N 2.99Å; I40-F61 HydrophobicContact CD1-CE1 4.14Å; I40-F61 HydrophobicContact CG1-CD1 4.2Å; I40-F61 HydrophobicContact CG1-CE1 3.62Å; I40-F61 HydrophobicContact CG1-CZ 4.41Å; I40-V62 HydrophobicContact CG2-CG1 4.11Å; I40-V62 HydrophobicContact CG2-CG2 4.1Å
41Q87.4Confident85.9Confident115 Ų11557.1 Ų57.154%0.53729%0.293SS..Hα-helixtrans-62.8-46.7178.5-76-164.8-3.300111.9Q37 N38 L44 Q45Q37-Q41 WeakPolarHBondContact O-CB 3.14Å; Q37-Q41 WeakPolarHBondContact O-CG 3.33Å; Q37-Q41 PolarHBondContact O-N 3.2Å; N38-Q41 PolarHBondContact O-N 3.28Å; Q41-L44 PolarHBondContact O-N 2.86Å; Q41-Q45 WeakPolarHBondContact O-CB 3.39Å; Q41-Q45 VanDerWaalsContact O-CG 3.26Å; Q41-Q45 WeakPolarHBondContact O-CG 2.99Å; Q41-Q45 PolarHBondContact O-N 2.76Å
42E88.2Confident85.6Confident52 Ų5260.3 Ų60.324%0.24331%0.31CS..Hα-helixtrans-67.4-38.8179.1-75.1-164-140.800112.3L6 F23 N38 L39 L44 Q45 A46L6-E42 HydrophobicContact CD1-CB 4.35Å; F23-E42 HydrophobicContact CE1-CB 4.15Å; F23-E42 HydrophobicContact CE1-CG 4.15Å; F23-E42 HydrophobicContact CZ-CB 3.74Å; F23-E42 HydrophobicContact CZ-CG 4.11Å; N38-E42 WeakPolarHBondContact O-CB 3.21Å; N38-E42 PolarHBondContact O-N 3.29Å; L39-E42 PolarHBondContact O-N 2.96Å; E42-L44 PolarHBondContact O-N 3.05Å; E42-Q45 PolarHBondContact O-N 3.44Å; E42-A46 WeakPolarHBondContact O-CB 3.08Å; E42-A46 PolarHBondContact O-N 3.1Å
43L86.6Confident85.2Confident0 Ų064.7 Ų64.70%033%0.331CS..Hα-helixtrans-58.2-48.9173.4175.966000111.1L6 L39 I40 R47 M58 L82L6-L43 HydrophobicContact CD2-CD1 3.93Å; L39-L43 WeakPolarHBondContact O-CB 3.42Å; L39-L43 PolarHBondContact O-N 3.13Å; I40-L43 PolarHBondContact O-N 3.18Å; L43-R47 HydrophobicContact CD1-CG 4.2Å; L43-R47 WeakPolarHBondContact O-CB 3.4Å; L43-R47 WeakPolarHBondContact O-CG 3.47Å; L43-R47 PolarHBondContact O-N 3.25Å; L43-M58 HydrophobicContact CD1-CE 4.31Å; L43-M58 HydrophobicContact CD1-SD 4.24Å; L43-M58 HydrophobicContact CD2-CG 4.38Å; L43-L82 HydrophobicContact CD1-CD2 3.84Å
44L85.6Confident85Confident60 Ų6065.5 Ų65.531%0.31433%0.33SS..Hα-helixtrans-63.3-43.5178.3-71.3173.9000111.8I40 Q41 E42 K48 L54 V62I40-L44 HydrophobicContact CG2-CD1 4Å; I40-L44 WeakPolarHBondContact O-CB 3.49Å; I40-L44 WeakPolarHBondContact O-CG 3.23Å; I40-L44 PolarHBondContact O-N 2.99Å; Q41-L44 PolarHBondContact O-N 2.86Å; E42-L44 PolarHBondContact O-N 3.05Å; L44-K48 VanDerWaalsContact O-CB 3.25Å; L44-K48 WeakPolarHBondContact O-CB 3.39Å; L44-K48 PolarHBondContact O-N 3Å; L44-L54 HydrophobicContact CD2-CD1 3.41Å; L44-L54 VanDerWaalsContact CD2-CD1 3.41Å; L44-L54 HydrophobicContact CD2-CD2 4.08Å; L44-L54 HydrophobicContact CD2-CG 4.34Å; L44-V62 HydrophobicContact CD1-CG1 4Å; L44-V62 HydrophobicContact CD2-CG1 4.31Å; L44-V62 HydrophobicContact CD2-CG2 4.06Å; L44-V62 HydrophobicContact CG-CG2 4.31Å
45Q86.8Confident84.9Confident97 Ų9759.3 Ų59.345%0.45331%0.307SS..Hα-helixtrans-65.9-46.5178.6-74.7-17725.600111.9Q41 E42 K48 K49Q41-Q45 WeakPolarHBondContact O-CB 3.39Å; Q41-Q45 VanDerWaalsContact O-CG 3.26Å; Q41-Q45 WeakPolarHBondContact O-CG 2.99Å; Q41-Q45 PolarHBondContact O-N 2.76Å; E42-Q45 PolarHBondContact O-N 3.44Å; Q45-K48 PolarHBondContact O-N 3.35Å; Q45-K49 WeakPolarHBondContact O-CB 3.04Å; Q45-K49 VanDerWaalsContact O-CG 3.32Å; Q45-K49 WeakPolarHBondContact O-CG 3.39Å; Q45-K49 PolarHBondContact O-N 3.04Å
46A86.1Confident84.7Confident0 Ų062.4 Ų62.40%033%0.33CS..Hα-helixtrans-58.3-49.4177.300000110.9E3 L6 Q7 E42 K48 K49 A50E3-A46 HydrophobicContact CG-CB 4.12Å; L6-A46 HydrophobicContact CB-CB 3.64Å; Q7-A46 HydrophobicContact CG-CB 3.9Å; Q7-A46 WeakPolarHBondContact CG-O 3.42Å; E42-A46 WeakPolarHBondContact O-CB 3.08Å; E42-A46 PolarHBondContact O-N 3.1Å; A46-K48 PolarHBondContact O-N 2.89Å; A46-K49 PolarHBondContact O-N 3.4Å; A46-A50 WeakPolarHBondContact O-CB 3.29Å; A46-A50 PolarHBondContact O-N 2.95Å
47R83.3Confident84.6Confident17 Ų1767.1 Ų67.16%0.06435%0.352CS..Hα-helixtrans-63.2-42179.2-69.5-79.6168.5178.6-13.3112L6 S8 L43 A50 G51 L52 L54L6-R47 PolarHBondContact O-NE 3.17Å; L6-R47 VanDerWaalsContact O-NE 3.17Å; L6-R47 PolarHBondContact O-NH2 3.3Å; S8-R47 PolarHBondContact O-NH2 3.43Å; S8-R47 VanDerWaalsContact O-NH2 3.13Å; L43-R47 HydrophobicContact CD1-CG 4.2Å; L43-R47 WeakPolarHBondContact O-CB 3.4Å; L43-R47 WeakPolarHBondContact O-CG 3.47Å; L43-R47 PolarHBondContact O-N 3.25Å; R47-A50 PolarHBondContact O-N 3.41Å; R47-G51 PolarHBondContact O-N 3.43Å; R47-L52 PolarHBondContact O-N 3.13Å; R47-L54 HydrophobicContact CB-CD2 3.93Å; R47-L54 HydrophobicContact CG-CD2 3.84Å
48K85.6Confident84.5Confident180 Ų18064.2 Ų64.278%0.78334%0.338SS*.Hα-helixtrans-64.7-41.6175.5-172.4177-179.5179.10112.4L44 Q45 A46 A50 G51L44-K48 VanDerWaalsContact O-CB 3.25Å; L44-K48 WeakPolarHBondContact O-CB 3.39Å; L44-K48 PolarHBondContact O-N 3Å; Q45-K48 PolarHBondContact O-N 3.35Å; A46-K48 PolarHBondContact O-N 2.89Å; K48-A50 VanDerWaalsContact C-N 3.34Å; K48-G51 PolarHBondContact O-N 2.68Å
49K85.3Confident84.3Confident132 Ų13264.9 Ų64.957%0.57434%0.337SS*.Hα-helixtrans-64-38.5175.7-77.9176.2-179.7172.70111.8E3 Q45 A46 G51E3-K49 IonicContact OE1-NZ 2.64Å; E3-K49 PolarHBondContact OE1-NZ 3.05Å; E3-K49 IonicContact OE2-NZ 2.7Å; Q45-K49 WeakPolarHBondContact O-CB 3.04Å; Q45-K49 VanDerWaalsContact O-CG 3.32Å; Q45-K49 WeakPolarHBondContact O-CG 3.39Å; Q45-K49 PolarHBondContact O-N 3.04Å; A46-K49 PolarHBondContact O-N 3.4Å; K49-G51 VanDerWaalsContact C-N 3.28Å; K49-G51 PolarHBondContact O-N 2.96Å
50A82Confident84.2Confident40 Ų4068.9 Ų68.933%0.33136%0.362SS..Hα-helixtrans-78-9.1176.400000113.9Q7 A46 R47 K48 L52Q7-A50 HydrophobicContact CB-CB 3.95Å; Q7-A50 HydrophobicContact CG-CB 3.96Å; A46-A50 WeakPolarHBondContact O-CB 3.29Å; A46-A50 PolarHBondContact O-N 2.95Å; R47-A50 PolarHBondContact O-N 3.41Å; K48-A50 VanDerWaalsContact C-N 3.34Å; A50-L52 HydrophobicContact CB-CD1 3.96Å; A50-L52 HydrophobicContact CB-CG 3.91Å; A50-L52 PolarHBondContact O-N 3.31Å
51G82.4Confident84.1Confident67 Ų6768.9 Ų68.969%0.69136%0.361SS*.THydrogen-bonded Turntrans66.323.3-174.400000113.6R47 K48 K49R47-G51 PolarHBondContact O-N 3.43Å; K48-G51 PolarHBondContact O-N 2.68Å; K49-G51 VanDerWaalsContact C-N 3.28Å; K49-G51 PolarHBondContact O-N 2.96Å
52L79.7Confident84Confident67 Ų6764.5 Ų64.535%0.35134%0.342SS..PPolyproline II helixtrans-92.3135.9179.8-66.2175.5000110.3Q7 R47 A50Q7-L52 VanDerWaalsContact O-CD1 3.26Å; Q7-L52 WeakPolarHBondContact O-CD1 3.4Å; R47-L52 PolarHBondContact O-N 3.13Å; A50-L52 HydrophobicContact CB-CD1 3.96Å; A50-L52 HydrophobicContact CB-CG 3.91Å; A50-L52 PolarHBondContact O-N 3.31Å
53E77.8Confident83.8Confident168 Ų16868.2 Ų68.279%0.78536%0.364SS*.PPolyproline II helixtrans-69.5145.4169-66.1-161.8169.100110.8
54L79.8Confident83.6Confident37 Ų3772.4 Ų72.419%0.19438%0.384CS..PPolyproline II helixtrans-68.9132170.6-62.2169.2000109L44 R47 M58 K59L44-L54 HydrophobicContact CD2-CD1 3.41Å; L44-L54 VanDerWaalsContact CD2-CD1 3.41Å; L44-L54 HydrophobicContact CD2-CD2 4.08Å; L44-L54 HydrophobicContact CD2-CG 4.34Å; R47-L54 HydrophobicContact CB-CD2 3.93Å; R47-L54 HydrophobicContact CG-CD2 3.84Å; L54-M58 HydrophobicContact CB-CB 4.14Å; L54-M58 HydrophobicContact CD2-CB 4.21Å; L54-M58 HydrophobicContact CD2-SD 4.1Å; L54-K59 HydrophobicContact CB-CD 4.44Å; L54-K59 HydrophobicContact CB-CG 3.7Å; L54-K59 HydrophobicContact CD1-CG 4.31Å; L54-K59 VanDerWaalsContact O-CE 3.24Å; L54-K59 WeakPolarHBondContact O-CE 3.3Å
55S82.5Confident83.4Confident34 Ų3470.8 Ų70.824%0.23837%0.374CS..PPolyproline II helixtrans-63.3160.2171.781.60000110.4E57 M58 K59S55-E57 WeakPolarHBondContact CB-OE2 3.17Å; S55-E57 PolarHBondContact O-N 3.06Å; S55-E57 PolarHBondContact OG-N 3.14Å; S55-E57 PolarHBondContact OG-OE2 3.27Å; S55-M58 PolarHBondContact O-N 3.4Å; S55-M58 WeakPolarHBondContact OG-CG 3.45Å; S55-M58 PolarHBondContact OG-N 3.46Å; S55-K59 WeakPolarHBondContact O-CG 3.43Å; S55-K59 PolarHBondContact O-N 3.46Å
56P83.6Confident82.7Confident90 Ų9067.8 Ų67.858%0.58437%0.368SS*.Hα-helixtrans-51.9-41.7174.6-25.434.6000112.6K59 T60P56-K59 PolarHBondContact O-N 2.87Å; P56-T60 PolarHBondContact O-N 2.98Å; P56-T60 PolarHBondContact O-OG1 3.32Å; P56-T60 VanDerWaalsContact O-OG1 3.09Å
57E83.6Confident81.9Confident101 Ų10176.8 Ų76.847%0.47241%0.411SS..Hα-helixtrans-63.8-43.8179.5-55.374.2-158.600111.4S55 T60 F61S55-E57 WeakPolarHBondContact CB-OE2 3.17Å; S55-E57 PolarHBondContact O-N 3.06Å; S55-E57 PolarHBondContact OG-N 3.14Å; S55-E57 PolarHBondContact OG-OE2 3.27Å; E57-T60 PolarHBondContact O-N 3.39Å; E57-F61 VanDerWaalsContact O-CB 3.28Å; E57-F61 WeakPolarHBondContact O-CB 3.45Å; E57-F61 PolarHBondContact O-N 2.94Å
58M84.1Confident81Confident2 Ų282.8 Ų82.81%0.0143%0.433CS..Hα-helixtrans-64.2-40.5174.7-67.9177.3-177.500112.3L43 L54 S55 F61 V62 V81 L82 P83L43-M58 HydrophobicContact CD1-CE 4.31Å; L43-M58 HydrophobicContact CD1-SD 4.24Å; L43-M58 HydrophobicContact CD2-CG 4.38Å; L54-M58 HydrophobicContact CB-CB 4.14Å; L54-M58 HydrophobicContact CD2-CB 4.21Å; L54-M58 HydrophobicContact CD2-SD 4.1Å; S55-M58 PolarHBondContact O-N 3.4Å; S55-M58 WeakPolarHBondContact OG-CG 3.45Å; S55-M58 PolarHBondContact OG-N 3.46Å; M58-F61 PolarHBondContact O-N 3.2Å; M58-V62 WeakPolarHBondContact O-CB 3.47Å; M58-V62 WeakPolarHBondContact O-CG2 3.28Å; M58-V62 PolarHBondContact O-N 3.07Å; M58-V81 HydrophobicContact CB-CG1 4.49Å; M58-V81 WeakPolarHBondContact CE-O 3.35Å; M58-V81 HydrophobicContact CG-CG1 3.94Å; M58-V81 WeakPolarHBondContact CG-O 3.4Å; M58-L82 HydrophobicContact CE-CD2 4.11Å; M58-P83 VanDerWaalsContact CE-CD 3.45Å; M58-P83 HydrophobicContact CE-CG 4.33Å
59K84.9Confident79.8Confident95 Ų9579.8 Ų79.841%0.41343%0.426SS..Hα-helixtrans-62.9-49.1177.2-72175.6-179.81660110.4L54 S55 P56 F61 V62 D63L54-K59 HydrophobicContact CB-CD 4.44Å; L54-K59 HydrophobicContact CB-CG 3.7Å; L54-K59 HydrophobicContact CD1-CG 4.31Å; L54-K59 VanDerWaalsContact O-CE 3.24Å; L54-K59 WeakPolarHBondContact O-CE 3.3Å; S55-K59 WeakPolarHBondContact O-CG 3.43Å; S55-K59 PolarHBondContact O-N 3.46Å; P56-K59 PolarHBondContact O-N 2.87Å; K59-F61 VanDerWaalsContact C-N 3.29Å; K59-F61 PolarHBondContact O-N 2.9Å; K59-V62 PolarHBondContact O-N 3.39Å; K59-D63 WeakPolarHBondContact O-CB 3.5Å; K59-D63 PolarHBondContact O-N 3.48Å
60T85.7Confident78.9Confident85 Ų8579.8 Ų79.852%0.52143%0.432SS..Hα-helixtrans-58.6-42.4176.2-58.20000111.6P56 E57 D63 Q64P56-T60 PolarHBondContact O-N 2.98Å; P56-T60 PolarHBondContact O-OG1 3.32Å; P56-T60 VanDerWaalsContact O-OG1 3.09Å; E57-T60 PolarHBondContact O-N 3.39Å; T60-D63 PolarHBondContact O-N 3.12Å; T60-Q64 WeakPolarHBondContact O-CB 3.5Å; T60-Q64 PolarHBondContact O-N 3.5Å
61F85.6Confident78.3Confident7 Ų778.1 Ų78.13%0.03142%0.419CS..Hα-helixtrans-60.9-49.3176.6179.7-105.4000112.8L36 L39 I40 E57 M58 K59 D63 Q64 Y65 I73 V81L36-F61 HydrophobicContact CD1-CE1 4.28Å; L36-F61 HydrophobicContact CD1-CE2 4.33Å; L36-F61 HydrophobicContact CD1-CZ 3.54Å; L39-F61 HydrophobicContact CD2-CE1 4.24Å; L39-F61 HydrophobicContact CD2-CZ 4.12Å; I40-F61 HydrophobicContact CD1-CE1 4.14Å; I40-F61 HydrophobicContact CG1-CD1 4.2Å; I40-F61 HydrophobicContact CG1-CE1 3.62Å; I40-F61 HydrophobicContact CG1-CZ 4.41Å; E57-F61 VanDerWaalsContact O-CB 3.28Å; E57-F61 WeakPolarHBondContact O-CB 3.45Å; E57-F61 PolarHBondContact O-N 2.94Å; M58-F61 PolarHBondContact O-N 3.2Å; K59-F61 VanDerWaalsContact C-N 3.29Å; K59-F61 PolarHBondContact O-N 2.9Å; F61-D63 VanDerWaalsContact C-N 3.34Å; F61-D63 PolarHBondContact O-N 3.46Å; F61-Q64 PolarHBondContact O-N 2.68Å; F61-Y65 AromaticContact CD2-CD2 3.52Å; F61-Y65 HydrophobicContact CD2-CD2 3.52Å; F61-Y65 AromaticContact CD2-CE2 3.86Å; F61-Y65 HydrophobicContact CD2-CE2 3.86Å; F61-Y65 AromaticContact CE2-CD2 3.65Å; F61-Y65 HydrophobicContact CE2-CD2 3.65Å; F61-Y65 HydrophobicContact CE2-CE2 4.02Å; F61-Y65 HydrophobicContact CE2-CG 4.34Å; F61-Y65 HydrophobicContact CG-CD2 4.3Å; F61-Y65 HydrophobicContact CZ-CD2 4.5Å; F61-Y65 WeakPolarHBondContact O-CD2 3.17Å; F61-Y65 PolarHBondContact O-N 3.13Å; F61-I73 HydrophobicContact CE2-CD1 3.75Å; F61-I73 HydrophobicContact CE2-CG2 4.09Å; F61-I73 HydrophobicContact CZ-CD1 3.59Å; F61-V81 HydrophobicContact CB-CB 4.48Å; F61-V81 HydrophobicContact CB-CG1 3.82Å; F61-V81 HydrophobicContact CB-CG2 3.75Å; F61-V81 HydrophobicContact CD1-CG1 3.88Å; F61-V81 HydrophobicContact CD1-CG2 4.5Å; F61-V81 HydrophobicContact CD2-CG1 4.41Å; F61-V81 HydrophobicContact CD2-CG2 3.56Å; F61-V81 HydrophobicContact CE2-CG2 4.24Å; F61-V81 HydrophobicContact CG-CB 4.37Å; F61-V81 HydrophobicContact CG-CG1 3.78Å; F61-V81 HydrophobicContact CG-CG2 3.69Å
62V85.5Confident78.3Confident23 Ų2378.6 Ų78.614%0.13940%0.402CS..Hα-helixtrans-64.4-39.7178.1173.60000111.2I40 L44 M58 K59 G66I40-V62 HydrophobicContact CG2-CG1 4.11Å; I40-V62 HydrophobicContact CG2-CG2 4.1Å; L44-V62 HydrophobicContact CD1-CG1 4Å; L44-V62 HydrophobicContact CD2-CG1 4.31Å; L44-V62 HydrophobicContact CD2-CG2 4.06Å; L44-V62 HydrophobicContact CG-CG2 4.31Å; M58-V62 WeakPolarHBondContact O-CB 3.47Å; M58-V62 WeakPolarHBondContact O-CG2 3.28Å; M58-V62 PolarHBondContact O-N 3.07Å; K59-V62 PolarHBondContact O-N 3.39Å; V62-G66 WeakPolarHBondContact O-CA 3Å; V62-G66 PolarHBondContact O-N 3.25Å
63D84.3Confident78.3Confident131 Ų13175.4 Ų75.470%0.70139%0.385SS*.Hα-helixtrans-68.2-36.9178.3-71-22.6000111.7K59 T60 F61K59-D63 WeakPolarHBondContact O-CB 3.5Å; K59-D63 PolarHBondContact O-N 3.48Å; T60-D63 PolarHBondContact O-N 3.12Å; F61-D63 VanDerWaalsContact C-N 3.34Å; F61-D63 PolarHBondContact O-N 3.46Å
64Q81.6Confident78.3Confident88 Ų8867.6 Ų67.641%0.41135%0.35SS..Hα-helixtrans-76.1-41.7-178.3-176173.2-14.700112.7T60 F61 R68T60-Q64 WeakPolarHBondContact O-CB 3.5Å; T60-Q64 PolarHBondContact O-N 3.5Å; F61-Q64 PolarHBondContact O-N 2.68Å; Q64-R68 WeakPolarHBondContact O-CD 3.43Å
65Y80.8Confident78.3Confident26 Ų2666 Ų6610%0.10234%0.342CS..Hα-helixtrans-110.2-16.6-171.8-64.5-79.3000114L36 F61 Q67 R68 I73 E77L36-Y65 HydrophobicContact CD2-CD1 3.77Å; L36-Y65 HydrophobicContact CD2-CG 4.11Å; F61-Y65 AromaticContact CD2-CD2 3.52Å; F61-Y65 HydrophobicContact CD2-CD2 3.52Å; F61-Y65 AromaticContact CD2-CE2 3.86Å; F61-Y65 HydrophobicContact CD2-CE2 3.86Å; F61-Y65 AromaticContact CE2-CD2 3.65Å; F61-Y65 HydrophobicContact CE2-CD2 3.65Å; F61-Y65 HydrophobicContact CE2-CE2 4.02Å; F61-Y65 HydrophobicContact CE2-CG 4.34Å; F61-Y65 HydrophobicContact CG-CD2 4.3Å; F61-Y65 HydrophobicContact CZ-CD2 4.5Å; F61-Y65 WeakPolarHBondContact O-CD2 3.17Å; F61-Y65 PolarHBondContact O-N 3.13Å; Y65-Q67 PolarHBondContact O-N 2.64Å; Y65-R68 PolarHBondContact O-N 2.7Å; Y65-I73 HydrophobicContact CD1-CG2 3.96Å; Y65-I73 HydrophobicContact CD2-CG2 4.29Å; Y65-I73 HydrophobicContact CE1-CG2 3.46Å; Y65-I73 VanDerWaalsContact CE1-CG2 3.46Å; Y65-I73 HydrophobicContact CE2-CG2 3.88Å; Y65-I73 HydrophobicContact CG-CG2 4.34Å; Y65-I73 VanDerWaalsContact CZ-CG2 3.42Å; Y65-E77 PolarHBondContact OH-OE1 3.14Å
66G73.3Confident78.1Confident33 Ų3365.7 Ų65.734%0.3434%0.338SS..THydrogen-bonded Turntrans-70.6-13.2-174.500000115.4V62V62-G66 WeakPolarHBondContact O-CA 3Å; V62-G66 PolarHBondContact O-N 3.25Å
67Q68.7Low77.9Confident190 Ų19064.5 Ų64.589%0.88833%0.325SS*.THydrogen-bonded Turntrans-118.93.8174.4-60.3-15711.200113.6Y65Y65-Q67 PolarHBondContact O-N 2.64Å
68R63.3Low77.9Confident142 Ų14259.7 Ų59.754%0.53630%0.302SS..  trans-107.1119.5-176.9-77-168.1-175.2-177.51.8109.8Q64 Y65 D70Q64-R68 WeakPolarHBondContact O-CD 3.43Å; Y65-R68 PolarHBondContact O-N 2.7Å; R68-D70 VanDerWaalsContact C-N 3.28Å; R68-D70 WeakPolarHBondContact CB-OD1 3.23Å
69D60.8Low77.7Confident118 Ų11859.6 Ų59.663%0.63130%0.302SS*.THydrogen-bonded Turntrans-81.1-11.1173.2-115.7-13000112.1Q37Q37-D69 PolarHBondContact NE2-OD1 2.75Å
70D66.4Low77.4Confident131 Ų13158.7 Ų58.770%0.70130%0.299SS*.THydrogen-bonded Turntrans-100.26.8179.868.4-20.7000113.5R68 K72R68-D70 VanDerWaalsContact C-N 3.28Å; R68-D70 WeakPolarHBondContact CB-OD1 3.23Å; D70-K72 PolarHBondContact O-N 3.2Å
71G70.6Confident77.3Confident5 Ų555.3 Ų55.35%0.05228%0.278CS..  trans-67.612517800000111.4E32 L36E32-G71 WeakPolarHBondContact CA-O 3.42Å; L36-G71 WeakPolarHBondContact CD2-O 3.21Å
72K80.9Confident77.2Confident77 Ų7755.1 Ų55.134%0.33528%0.277SS..EExtended strand (participates in β ladder)trans-120.5126.2168.6-176.3177.8-166.6113.30108.1Y30 E32 D70Y30-K72 VanDerWaalsContact CB-CE 3.46Å; Y30-K72 HydrophobicContact CD1-CD 4.34Å; Y30-K72 HydrophobicContact CD1-CG 4.16Å; Y30-K72 VanDerWaalsContact CD2-CE 3.44Å; Y30-K72 HydrophobicContact CG-CD 4.27Å; Y30-K72 HydrophobicContact CG-CG 4.22Å; E32-K72 HydrophobicContact CB-CB 4.29Å; E32-K72 HydrophobicContact CB-CG 4.32Å; E32-K72 IonicContact OE1-NZ 3.01Å; E32-K72 WeakPolarHBondContact OE2-CD 3.23Å; E32-K72 WeakPolarHBondContact OE2-CE 3.35Å; E32-K72 IonicContact OE2-NZ 2.68Å; E32-K72 PolarHBondContact OE2-NZ 2.91Å; D70-K72 PolarHBondContact O-N 3.2Å
73I80.4Confident77Confident0 Ų056 Ų560%028%0.284CS..EExtended strand (participates in β ladder)trans-124.9143.1175.762.2150.3000111.5Y30 L31 L36 L39 F61 Y65 E77 L78Y30-I73 WeakPolarHBondContact CA-O 3.43Å; L31-I73 HydrophobicContact CB-CD1 4.15Å; L31-I73 HydrophobicContact CB-CG1 3.78Å; L31-I73 HydrophobicContact CD1-CD1 3.99Å; L31-I73 PolarHBondContact N-O 3.32Å; L31-I73 PolarHBondContact O-N 3.1Å; L36-I73 HydrophobicContact CD1-CD1 3.72Å; L36-I73 HydrophobicContact CD1-CG1 3.78Å; L36-I73 HydrophobicContact CD2-CG1 4.44Å; L36-I73 HydrophobicContact CD2-CG2 4.31Å; L39-I73 HydrophobicContact CD2-CD1 4.21Å; F61-I73 HydrophobicContact CE2-CD1 3.75Å; F61-I73 HydrophobicContact CE2-CG2 4.09Å; F61-I73 HydrophobicContact CZ-CD1 3.59Å; Y65-I73 HydrophobicContact CD1-CG2 3.96Å; Y65-I73 HydrophobicContact CD2-CG2 4.29Å; Y65-I73 HydrophobicContact CE1-CG2 3.46Å; Y65-I73 VanDerWaalsContact CE1-CG2 3.46Å; Y65-I73 HydrophobicContact CE2-CG2 3.88Å; Y65-I73 HydrophobicContact CG-CG2 4.34Å; Y65-I73 VanDerWaalsContact CZ-CG2 3.42Å; I73-E77 WeakPolarHBondContact CA-OE2 3.31Å; I73-E77 HydrophobicContact CB-CB 4.34Å; I73-L78 HydrophobicContact CD1-CB 4.29Å; I73-L78 HydrophobicContact CD1-CD1 4.49Å
74G78.3Confident76.8Confident5 Ų550.1 Ų50.15%0.05225%0.252CS..EExtended strand (participates in β ladder)trans-91.6168.7170.800000112.3W20 V76 E77 L78W20-G74 VanDerWaalsContact CH2-C 3.44Å; G74-V76 PolarHBondContact O-N 2.97Å; G74-E77 PolarHBondContact N-OE2 2.8Å; G74-E77 WeakPolarHBondContact O-CB 3.48Å; G74-E77 PolarHBondContact O-N 3.47Å; G74-E77 VanDerWaalsContact O-N 3.08Å; G74-L78 PolarHBondContact O-N 2.93Å
75I79.7Confident76.7Confident4 Ų446.8 Ų46.82%0.02124%0.237CC..Hα-helixtrans-60.9-32.7179.1-165.9171.3000113.7F16 W20 E77 L78 A79 F92 L153 F154F16-I75 HydrophobicContact CE1-CD1 3.68Å; F16-I75 HydrophobicContact CE1-CG1 3.46Å; F16-I75 VanDerWaalsContact CE1-CG1 3.46Å; F16-I75 HydrophobicContact CZ-CD1 4.41Å; F16-I75 HydrophobicContact CZ-CG1 3.71Å; W20-I75 HydrophobicContact CB-CD1 4.46Å; W20-I75 HydrophobicContact CD2-CB 4.01Å; W20-I75 HydrophobicContact CD2-CD1 3.87Å; W20-I75 HydrophobicContact CD2-CG1 3.74Å; W20-I75 HydrophobicContact CE3-CB 3.89Å; W20-I75 HydrophobicContact CE3-CD1 4.28Å; W20-I75 HydrophobicContact CE3-CG1 3.65Å; W20-I75 HydrophobicContact CG-CD1 3.92Å; W20-I75 HydrophobicContact CG-CG1 4.27Å; W20-I75 VanDerWaalsContact CH2-CA 3.46Å; W20-I75 HydrophobicContact CH2-CB 3.82Å; W20-I75 HydrophobicContact CH2-CG1 4.5Å; W20-I75 HydrophobicContact CZ2-CB 3.91Å; W20-I75 HydrophobicContact CZ3-CB 3.82Å; W20-I75 HydrophobicContact CZ3-CG1 4.07Å; I75-E77 VanDerWaalsContact C-N 3.3Å; I75-E77 PolarHBondContact O-N 2.89Å; I75-L78 PolarHBondContact O-N 2.99Å; I75-A79 WeakPolarHBondContact O-CB 3.31Å; I75-A79 PolarHBondContact O-N 3.03Å; I75-F92 HydrophobicContact CG2-CE1 4.22Å; I75-L153 HydrophobicContact CD1-CD1 3.04Å; I75-L153 HydrophobicContact CD1-CD2 3.91Å; I75-L153 HydrophobicContact CD1-CG 4.1Å; I75-F154 HydrophobicContact CG2-CE1 4.29Å; I75-F154 HydrophobicContact CG2-CZ 3.85Å
76V77Confident76.3Confident26 Ų2650.8 Ų50.816%0.15826%0.256CS..Hα-helixtrans-60.1-42.2175.5-178.40000111.3G74 A79 H80 F92 L170G74-V76 PolarHBondContact O-N 2.97Å; V76-A79 PolarHBondContact O-N 2.88Å; V76-H80 PolarHBondContact O-N 2.94Å; V76-H80 PolarHBondContact O-ND1 2.96Å; V76-F92 HydrophobicContact CG1-CB 4.2Å; V76-F92 HydrophobicContact CG2-CB 4.44Å; V76-F92 HydrophobicContact CG2-CD1 4Å; V76-L170 WeakPolarHBondContact CG2-O 3.48Å
77E79.3Confident76.3Confident66 Ų6651 Ų5131%0.30825%0.25SC..Hα-helixtrans-68-44.8179.4-69.1170.4115.800110Y65 I73 G74 I75 A79 H80 V81Y65-E77 PolarHBondContact OH-OE1 3.14Å; I73-E77 WeakPolarHBondContact CA-OE2 3.31Å; I73-E77 HydrophobicContact CB-CB 4.34Å; G74-E77 PolarHBondContact N-OE2 2.8Å; G74-E77 WeakPolarHBondContact O-CB 3.48Å; G74-E77 PolarHBondContact O-N 3.47Å; G74-E77 VanDerWaalsContact O-N 3.08Å; I75-E77 VanDerWaalsContact C-N 3.3Å; I75-E77 PolarHBondContact O-N 2.89Å; E77-A79 VanDerWaalsContact C-N 3.31Å; E77-A79 PolarHBondContact O-N 2.83Å; E77-H80 PolarHBondContact O-N 3.02Å; E77-H80 VanDerWaalsContact O-N 3.16Å; E77-V81 WeakPolarHBondContact O-CG2 3.28Å; E77-V81 PolarHBondContact O-N 3.43Å
78L83.5Confident76.4Confident0 Ų042 Ų420%021%0.207CC..Hα-helixtrans-63.1-38.5176.8-170.661000112.4F16 W20 L31 L39 I73 G74 I75 H80 V81 L82F16-L78 HydrophobicContact CE2-CB 4.26Å; F16-L78 HydrophobicContact CE2-CD2 4.19Å; F16-L78 HydrophobicContact CE2-CG 3.92Å; F16-L78 HydrophobicContact CZ-CB 4.18Å; F16-L78 HydrophobicContact CZ-CD2 4.38Å; F16-L78 HydrophobicContact CZ-CG 4.26Å; W20-L78 HydrophobicContact CE3-CB 4.19Å; W20-L78 HydrophobicContact CE3-CD2 3.57Å; W20-L78 HydrophobicContact CZ3-CB 3.9Å; W20-L78 HydrophobicContact CZ3-CD2 3.94Å; L31-L78 HydrophobicContact CD1-CD2 4.08Å; L39-L78 HydrophobicContact CD1-CD1 4.43Å; L39-L78 HydrophobicContact CD1-CD2 4.46Å; L39-L78 HydrophobicContact CD2-CD1 3.54Å; L39-L78 HydrophobicContact CD2-CD2 4.1Å; L39-L78 HydrophobicContact CD2-CG 4.44Å; I73-L78 HydrophobicContact CD1-CB 4.29Å; I73-L78 HydrophobicContact CD1-CD1 4.49Å; G74-L78 PolarHBondContact O-N 2.93Å; I75-L78 PolarHBondContact O-N 2.99Å; L78-H80 PolarHBondContact O-N 2.89Å; L78-V81 HydrophobicContact CD1-CB 4.48Å; L78-V81 PolarHBondContact O-N 3.48Å; L78-L82 HydrophobicContact CD1-CD1 4.09Å; L78-L82 HydrophobicContact CD1-CG 3.97Å; L78-L82 HydrophobicContact CD2-CD1 4.14Å; L78-L82 HydrophobicContact CG-CD1 3.91Å; L78-L82 HydrophobicContact CG-CG 4.12Å; L78-L82 PolarHBondContact O-N 2.88Å
79A80.8Confident76.7Confident0 Ų035.9 Ų35.90%019%0.185CC..Hα-helixtrans-59.7-36.8177.300000111.2F16 I75 V76 E77 V81 L89 F92F16-A79 HydrophobicContact CE1-CB 4.33Å; F16-A79 VanDerWaalsContact CE2-CA 3.48Å; F16-A79 HydrophobicContact CE2-CB 4.04Å; F16-A79 HydrophobicContact CZ-CB 3.69Å; I75-A79 WeakPolarHBondContact O-CB 3.31Å; I75-A79 PolarHBondContact O-N 3.03Å; V76-A79 PolarHBondContact O-N 2.88Å; E77-A79 VanDerWaalsContact C-N 3.31Å; E77-A79 PolarHBondContact O-N 2.83Å; A79-V81 VanDerWaalsContact C-N 3.34Å; A79-L89 HydrophobicContact CB-CD2 3.72Å; A79-L89 WeakPolarHBondContact O-CD2 3.38Å; A79-F92 HydrophobicContact CB-CD2 4.4Å
80H78.4Confident77.2Confident76 Ų7631.9 Ų31.935%0.35216%0.164SC..Hα-helixtrans-72.6-25.1175.5-76.483.9000114V76 E77 L78 R93V76-H80 PolarHBondContact O-N 2.94Å; V76-H80 PolarHBondContact O-ND1 2.96Å; E77-H80 PolarHBondContact O-N 3.02Å; E77-H80 VanDerWaalsContact O-N 3.16Å; L78-H80 PolarHBondContact O-N 2.89Å; H80-R93 VanDerWaalsContact NE2-CG 3.34Å; H80-R93 WeakPolarHBondContact NE2-CG 3.3Å; H80-R93 PolarHBondContact NE2-NE 3.26Å
81V83.9Confident77.3Confident13 Ų1325.9 Ų25.98%0.07913%0.132CC..Hα-helixtrans-82.5-41.5179.8173.50000111.5M58 F61 E77 L78 A79M58-V81 HydrophobicContact CB-CG1 4.49Å; M58-V81 WeakPolarHBondContact CE-O 3.35Å; M58-V81 HydrophobicContact CG-CG1 3.94Å; M58-V81 WeakPolarHBondContact CG-O 3.4Å; F61-V81 HydrophobicContact CB-CB 4.48Å; F61-V81 HydrophobicContact CB-CG1 3.82Å; F61-V81 HydrophobicContact CB-CG2 3.75Å; F61-V81 HydrophobicContact CD1-CG1 3.88Å; F61-V81 HydrophobicContact CD1-CG2 4.5Å; F61-V81 HydrophobicContact CD2-CG1 4.41Å; F61-V81 HydrophobicContact CD2-CG2 3.56Å; F61-V81 HydrophobicContact CE2-CG2 4.24Å; F61-V81 HydrophobicContact CG-CB 4.37Å; F61-V81 HydrophobicContact CG-CG1 3.78Å; F61-V81 HydrophobicContact CG-CG2 3.69Å; E77-V81 WeakPolarHBondContact O-CG2 3.28Å; E77-V81 PolarHBondContact O-N 3.43Å; L78-V81 HydrophobicContact CD1-CB 4.48Å; L78-V81 PolarHBondContact O-N 3.48Å; A79-V81 VanDerWaalsContact C-N 3.34Å
82L83.9Confident77.1Confident4 Ų426.5 Ų26.52%0.02113%0.133CC..THydrogen-bonded Turntrans-84146179.8-64.6-173.7000111.1L6 I11 F16 I19 L43 M58 L78 T84L6-L82 HydrophobicContact CD2-CD1 4.25Å; L6-L82 HydrophobicContact CD2-CD2 4Å; I11-L82 HydrophobicContact CD1-CB 4.19Å; I11-L82 HydrophobicContact CD1-CD1 4.21Å; I11-L82 HydrophobicContact CD1-CD2 4.48Å; F16-L82 HydrophobicContact CD2-CB 4.3Å; F16-L82 HydrophobicContact CD2-CD1 3.81Å; F16-L82 HydrophobicContact CE2-CB 4.35Å; F16-L82 HydrophobicContact CE2-CD1 3.89Å; F16-L82 HydrophobicContact CE2-CG 4.48Å; I19-L82 HydrophobicContact CD1-CD1 4.33Å; I19-L82 HydrophobicContact CG2-CD1 4.17Å; L43-L82 HydrophobicContact CD1-CD2 3.84Å; M58-L82 HydrophobicContact CE-CD2 4.11Å; L78-L82 HydrophobicContact CD1-CD1 4.09Å; L78-L82 HydrophobicContact CD1-CG 3.97Å; L78-L82 HydrophobicContact CD2-CD1 4.14Å; L78-L82 HydrophobicContact CG-CD1 3.91Å; L78-L82 HydrophobicContact CG-CG 4.12Å; L78-L82 PolarHBondContact O-N 2.88Å; L82-T84 PolarHBondContact O-N 3.45Å; L82-T84 PolarHBondContact O-OG1 3.49Å
83P80.5Confident76.3Confident42 Ų4228.4 Ų28.427%0.27314%0.138SC..THydrogen-bonded Turntrans-77.465179.433.8-36.4000110.3L10 I11 M58L10-P83 WeakPolarHBondContact CA-O 3.43Å; I11-P83 HydrophobicContact CG1-CG 4.41Å; I11-P83 PolarHBondContact N-O 3.34Å; M58-P83 VanDerWaalsContact CE-CD 3.45Å; M58-P83 HydrophobicContact CE-CG 4.33Å
84T80.9Confident75.1Confident6 Ų629.1 Ų29.14%0.03714%0.143CC..BIsolated β-bridgetrans-78.9151.6-177.4-38.70000110.2I11 F16 L82 E86 F88 L89I11-T84 CarbonylContact O-C 3.51Å; I11-T84 VanDerWaalsContact O-CA 3.29Å; I11-T84 WeakPolarHBondContact O-CA 3.33Å; F16-T84 HydrophobicContact CB-CG2 3.82Å; F16-T84 HydrophobicContact CD2-CG2 4.16Å; F16-T84 WeakPolarHBondContact CD2-OG1 3.21Å; F16-T84 HydrophobicContact CG-CG2 4.02Å; L82-T84 PolarHBondContact O-N 3.45Å; L82-T84 PolarHBondContact O-OG1 3.49Å; T84-E86 PolarHBondContact O-N 2.84Å; T84-F88 HydrophobicContact CG2-CD1 3.44Å; T84-F88 VanDerWaalsContact CG2-CD1 3.44Å; T84-F88 HydrophobicContact CG2-CE1 4.02Å; T84-F88 HydrophobicContact CG2-CG 4.36Å; T84-L89 VanDerWaalsContact O-CD1 3.26Å; T84-L89 WeakPolarHBondContact O-CD1 3.5Å
85E78.9Confident73.7Confident19 Ų1935.4 Ų35.49%0.08917%0.171CC..  trans-55.9139-178.670.4175.4155.100112.7L10 I11 A13 N87 F88 L89 K142 Y146L10-E85 HydrophobicContact CD2-CB 4.21Å; I11-E85 PolarHBondContact O-N 3.11Å; A13-E85 WeakPolarHBondContact CB-OE1 3.04Å; A13-E85 PolarHBondContact N-OE1 3.18Å; E85-N87 VanDerWaalsContact C-N 3.31Å; E85-N87 PolarHBondContact O-N 3.36Å; E85-F88 HydrophobicContact CG-CB 3.58Å; E85-F88 WeakPolarHBondContact O-CB 3.38Å; E85-F88 PolarHBondContact O-N 3.3Å; E85-F88 VanDerWaalsContact O-N 3.09Å; E85-L89 PolarHBondContact O-N 2.85Å; E85-K142 IonicContact OE2-NZ 3.79Å; E85-K142 PolarHBondContact OE2-NZ 3.03Å; E85-Y146 WeakPolarHBondContact OE1-CE1 3.43Å; E85-Y146 PolarHBondContact OE1-OH 2.9Å; E85-Y146 PolarHBondContact OE2-OH 3.2Å
86E73.5Confident72.2Confident109 Ų10937.6 Ų37.651%0.50918%0.181SC..Hα-helixtrans-59.9-39.3-170.3-169-172.2-152.900112.8T84 F88 L89 L90 K136T84-E86 PolarHBondContact O-N 2.84Å; E86-F88 VanDerWaalsContact C-N 3.26Å; E86-F88 PolarHBondContact O-N 3.21Å; E86-L89 PolarHBondContact O-N 2.9Å; E86-L90 WeakPolarHBondContact O-CG 3.49Å; E86-L90 PolarHBondContact O-N 3.27Å; E86-K136 IonicContact OE2-NZ 2.94Å; E86-K136 PolarHBondContact OE2-NZ 3.33Å
87N71.5Confident71.2Confident38 Ų3837 Ų3720%0.20318%0.177CC..Hα-helixtrans-61.8-37.6179.5-67.3-9.5000111.9E85 Y146E85-N87 VanDerWaalsContact C-N 3.31Å; E85-N87 PolarHBondContact O-N 3.36Å; N87-Y146 HydrophobicContact CB-CE2 4.35Å
88F71.5Confident70.3Confident0 Ų039.8 Ų39.80%019%0.188CC..Hα-helixtrans-72.5-43.2176.3-177.5-107.2000110.9A13 F16 F17 T84 E85 E86 L90 L91 F92 Y146A13-F88 HydrophobicContact CB-CB 4.16Å; A13-F88 HydrophobicContact CB-CD1 4.42Å; A13-F88 HydrophobicContact CB-CD2 3.52Å; A13-F88 HydrophobicContact CB-CE2 3.94Å; A13-F88 HydrophobicContact CB-CG 3.78Å; A13-F88 HydrophobicContact CB-CZ 4.49Å; F16-F88 AromaticContact CD1-CE1 3.57Å; F16-F88 HydrophobicContact CD1-CE1 3.57Å; F16-F88 HydrophobicContact CD1-CZ 4.05Å; F16-F88 AromaticContact CE1-CE1 3.96Å; F16-F88 HydrophobicContact CE1-CE1 3.96Å; F16-F88 HydrophobicContact CE1-CZ 4.43Å; F16-F88 HydrophobicContact CG-CE1 4.19Å; F17-F88 HydrophobicContact CD2-CE2 4.44Å; F17-F88 HydrophobicContact CD2-CZ 4.14Å; F17-F88 HydrophobicContact CE1-CZ 4.27Å; F17-F88 HydrophobicContact CE2-CD2 4.2Å; F17-F88 HydrophobicContact CE2-CE1 4.16Å; F17-F88 AromaticContact CE2-CE2 3.16Å; F17-F88 HydrophobicContact CE2-CE2 3.16Å; F17-F88 AromaticContact CE2-CZ 3.1Å; F17-F88 HydrophobicContact CE2-CZ 3.1Å; F17-F88 HydrophobicContact CZ-CE1 4.47Å; F17-F88 AromaticContact CZ-CE2 3.26Å; F17-F88 HydrophobicContact CZ-CE2 3.26Å; F17-F88 AromaticContact CZ-CZ 3.19Å; F17-F88 HydrophobicContact CZ-CZ 3.19Å; T84-F88 HydrophobicContact CG2-CD1 3.44Å; T84-F88 VanDerWaalsContact CG2-CD1 3.44Å; T84-F88 HydrophobicContact CG2-CE1 4.02Å; T84-F88 HydrophobicContact CG2-CG 4.36Å; E85-F88 HydrophobicContact CG-CB 3.58Å; E85-F88 WeakPolarHBondContact O-CB 3.38Å; E85-F88 PolarHBondContact O-N 3.3Å; E85-F88 VanDerWaalsContact O-N 3.09Å; E86-F88 VanDerWaalsContact C-N 3.26Å; E86-F88 PolarHBondContact O-N 3.21Å; F88-L90 PolarHBondContact O-N 2.81Å; F88-L91 HydrophobicContact CD2-CD1 3.97Å; F88-L91 HydrophobicContact CE2-CD1 4.39Å; F88-L91 VanDerWaalsContact O-CB 3.25Å; F88-L91 WeakPolarHBondContact O-CB 3.46Å; F88-L91 WeakPolarHBondContact O-CG 3.39Å; F88-L91 PolarHBondContact O-N 3.37Å; F88-F92 HydrophobicContact CD1-CD2 4.17Å; F88-F92 AromaticContact CD1-CE2 3.58Å; F88-F92 HydrophobicContact CD1-CE2 3.58Å; F88-F92 AromaticContact CD2-CE2 3.9Å; F88-F92 HydrophobicContact CD2-CE2 3.9Å; F88-F92 HydrophobicContact CE1-CD2 4.02Å; F88-F92 AromaticContact CE1-CE2 3.15Å; F88-F92 HydrophobicContact CE1-CE2 3.15Å; F88-F92 AromaticContact CE1-CZ 3.74Å; F88-F92 HydrophobicContact CE1-CZ 3.74Å; F88-F92 AromaticContact CE2-CE2 3.44Å; F88-F92 HydrophobicContact CE2-CE2 3.44Å; F88-F92 VanDerWaalsContact CE2-CE2 3.44Å; F88-F92 AromaticContact CE2-CZ 3.75Å; F88-F92 HydrophobicContact CE2-CZ 3.75Å; F88-F92 AromaticContact CG-CE2 3.97Å; F88-F92 HydrophobicContact CG-CE2 3.97Å; F88-F92 HydrophobicContact CZ-CD2 4.3Å; F88-F92 AromaticContact CZ-CE2 3.08Å; F88-F92 HydrophobicContact CZ-CE2 3.08Å; F88-F92 AromaticContact CZ-CZ 3.28Å; F88-F92 HydrophobicContact CZ-CZ 3.28Å; F88-F92 WeakPolarHBondContact O-CD2 3.41Å; F88-F92 WeakPolarHBondContact O-CE2 3.47Å; F88-Y146 HydrophobicContact CB-CE1 4.39Å; F88-Y146 HydrophobicContact CD2-CD1 4.08Å; F88-Y146 HydrophobicContact CD2-CE1 4.21Å
89L70.1Confident69.4Low14 Ų1441.3 Ų41.37%0.07320%0.199CC..Hα-helixtrans-58.9-30.3174.6-71.4173.6000113.2A79 T84 E85 E86 L91 F92 R93A79-L89 HydrophobicContact CB-CD2 3.72Å; A79-L89 WeakPolarHBondContact O-CD2 3.38Å; T84-L89 VanDerWaalsContact O-CD1 3.26Å; T84-L89 WeakPolarHBondContact O-CD1 3.5Å; E85-L89 PolarHBondContact O-N 2.85Å; E86-L89 PolarHBondContact O-N 2.9Å; L89-L91 PolarHBondContact O-N 2.97Å; L89-F92 CarbonylContact O-C 3.49Å; L89-F92 PolarHBondContact O-N 3.45Å; L89-F92 VanDerWaalsContact O-N 3.15Å; L89-R93 VanDerWaalsContact O-CB 3.27Å; L89-R93 WeakPolarHBondContact O-CB 3.23Å; L89-R93 VanDerWaalsContact O-CG 3.25Å; L89-R93 WeakPolarHBondContact O-CG 3.38Å; L89-R93 PolarHBondContact O-N 2.97Å
90L71.4Confident68.9Low35 Ų3541.4 Ų41.418%0.18320%0.2CC..Hα-helixtrans-62.8-30.8175.4-74.2170000112.9E86 F88 F92 R93 C94 A134 K136E86-L90 WeakPolarHBondContact O-CG 3.49Å; E86-L90 PolarHBondContact O-N 3.27Å; F88-L90 PolarHBondContact O-N 2.81Å; L90-F92 VanDerWaalsContact C-N 3.29Å; L90-F92 PolarHBondContact O-N 3.12Å; L90-R93 PolarHBondContact O-N 3.45Å; L90-C94 PolarHBondContact O-N 2.99Å; L90-A134 HydrophobicContact CD1-CB 4.27Å; L90-A134 HydrophobicContact CD2-CB 4.39Å; L90-K136 HydrophobicContact CD1-CB 4.43Å; L90-K136 HydrophobicContact CD1-CD 4.26Å; L90-K136 HydrophobicContact CD1-CG 3.52Å
91L68.3Low68.6Low5 Ų539.6 Ų39.63%0.02619%0.191CC..Hα-helixtrans-62.5-39.3174.6-53.3179.3000110.9F88 L89 C94 L127 L130 L131 Y146F88-L91 HydrophobicContact CD2-CD1 3.97Å; F88-L91 HydrophobicContact CE2-CD1 4.39Å; F88-L91 VanDerWaalsContact O-CB 3.25Å; F88-L91 WeakPolarHBondContact O-CB 3.46Å; F88-L91 WeakPolarHBondContact O-CG 3.39Å; F88-L91 PolarHBondContact O-N 3.37Å; L89-L91 PolarHBondContact O-N 2.97Å; L91-C94 WeakPolarHBondContact O-CB 3.4Å; L91-L127 HydrophobicContact CD1-CD2 4.16Å; L91-L127 HydrophobicContact CD2-CD2 3.79Å; L91-L127 HydrophobicContact CG-CD2 4.43Å; L91-L130 HydrophobicContact CD2-CD2 3.97Å; L91-L131 HydrophobicContact CD2-CD1 4.32Å; L91-L131 HydrophobicContact CD2-CD2 3.99Å; L91-L131 HydrophobicContact CD2-CG 4.01Å; L91-Y146 HydrophobicContact CD1-CD2 4.14Å; L91-Y146 HydrophobicContact CD1-CG 4.05Å
92F66.5Low68.2Low17 Ų1743.2 Ų43.28%0.07521%0.207CC..Hα-helixtrans-89.5-19.5179.7-54.5-81.2000113.9I75 V76 A79 F88 L89 L90 C94 M150 L170I75-F92 HydrophobicContact CG2-CE1 4.22Å; V76-F92 HydrophobicContact CG1-CB 4.2Å; V76-F92 HydrophobicContact CG2-CB 4.44Å; V76-F92 HydrophobicContact CG2-CD1 4Å; A79-F92 HydrophobicContact CB-CD2 4.4Å; F88-F92 HydrophobicContact CD1-CD2 4.17Å; F88-F92 AromaticContact CD1-CE2 3.58Å; F88-F92 HydrophobicContact CD1-CE2 3.58Å; F88-F92 AromaticContact CD2-CE2 3.9Å; F88-F92 HydrophobicContact CD2-CE2 3.9Å; F88-F92 HydrophobicContact CE1-CD2 4.02Å; F88-F92 AromaticContact CE1-CE2 3.15Å; F88-F92 HydrophobicContact CE1-CE2 3.15Å; F88-F92 AromaticContact CE1-CZ 3.74Å; F88-F92 HydrophobicContact CE1-CZ 3.74Å; F88-F92 AromaticContact CE2-CE2 3.44Å; F88-F92 HydrophobicContact CE2-CE2 3.44Å; F88-F92 VanDerWaalsContact CE2-CE2 3.44Å; F88-F92 AromaticContact CE2-CZ 3.75Å; F88-F92 HydrophobicContact CE2-CZ 3.75Å; F88-F92 AromaticContact CG-CE2 3.97Å; F88-F92 HydrophobicContact CG-CE2 3.97Å; F88-F92 HydrophobicContact CZ-CD2 4.3Å; F88-F92 AromaticContact CZ-CE2 3.08Å; F88-F92 HydrophobicContact CZ-CE2 3.08Å; F88-F92 AromaticContact CZ-CZ 3.28Å; F88-F92 HydrophobicContact CZ-CZ 3.28Å; F88-F92 WeakPolarHBondContact O-CD2 3.41Å; F88-F92 WeakPolarHBondContact O-CE2 3.47Å; L89-F92 CarbonylContact O-C 3.49Å; L89-F92 PolarHBondContact O-N 3.45Å; L89-F92 VanDerWaalsContact O-N 3.15Å; L90-F92 VanDerWaalsContact C-N 3.29Å; L90-F92 PolarHBondContact O-N 3.12Å; F92-C94 PolarHBondContact O-N 3.18Å; F92-M150 HydrophobicContact CE1-SD 4.3Å; F92-M150 HydrophobicContact CZ-SD 3.98Å; F92-L170 HydrophobicContact CD1-CD2 3.58Å; F92-L170 HydrophobicContact CE1-CD2 3.46Å; F92-L170 VanDerWaalsContact CE1-CD2 3.46Å
93R63.4Low67.9Low118 Ų11843.1 Ų43.145%0.44521%0.207SC..THydrogen-bonded Turntrans-86.48.4173.3-73.8176.7173176.91.9112.8H80 L89 L90 Q95H80-R93 VanDerWaalsContact NE2-CG 3.34Å; H80-R93 WeakPolarHBondContact NE2-CG 3.3Å; H80-R93 PolarHBondContact NE2-NE 3.26Å; L89-R93 VanDerWaalsContact O-CB 3.27Å; L89-R93 WeakPolarHBondContact O-CB 3.23Å; L89-R93 VanDerWaalsContact O-CG 3.25Å; L89-R93 WeakPolarHBondContact O-CG 3.38Å; L89-R93 PolarHBondContact O-N 2.97Å; L90-R93 PolarHBondContact O-N 3.45Å; R93-Q95 PolarHBondContact O-N 3.32Å
94C55.8Low67.8Low15 Ų1541.1 Ų41.110%0.10119%0.194CC..  trans-54106.9-176-169.10000109.9L90 L91 F92 Q96 L97 L130L90-C94 PolarHBondContact O-N 2.99Å; L91-C94 WeakPolarHBondContact O-CB 3.4Å; F92-C94 PolarHBondContact O-N 3.18Å; C94-Q96 PolarHBondContact O-N 3.04Å; C94-L97 HydrophobicContact CB-CD1 4.16Å; C94-L97 HydrophobicContact CB-CG 3.94Å; C94-L97 PolarHBondContact O-N 3.46Å; C94-L130 HydrophobicContact CB-CD1 3.79Å; C94-L130 HydrophobicContact CB-CD2 4.4Å; C94-L130 HydrophobicContact CB-CG 4.26Å; C94-L130 WeakPolarHBondContact SG-CD1 3.47Å
95Q48.8Very low67.7Low136 Ų13645.8 Ų45.864%0.63621%0.213SC*.G310 helixtrans-64.4-9.4-178.3-66.2-160.520.300112.9R93 L97 K98R93-Q95 PolarHBondContact O-N 3.32Å; Q95-L97 VanDerWaalsContact C-N 3.32Å; Q95-K98 WeakPolarHBondContact O-CD 3.43Å; Q95-K98 VanDerWaalsContact O-CG 3.26Å; Q95-K98 WeakPolarHBondContact O-CG 3.45Å
96Q48.2Very low67.7Low51 Ų5145.9 Ų45.924%0.23822%0.215CC..G310 helixtrans-82.7-9.9174.8-64.21592.100112.7C94 E102 K133C94-Q96 PolarHBondContact O-N 3.04Å; Q96-E102 WeakPolarHBondContact O-CB 3.24Å; Q96-K133 VanDerWaalsContact NE2-NZ 3.17Å
97L56.3Low68Low14 Ų1441 Ų417%0.07319%0.192CC..G310 helixtrans-102.717.5176.6-51.6-170.8000111.5C94 Q95 S99 F103 L170 L171C94-L97 HydrophobicContact CB-CD1 4.16Å; C94-L97 HydrophobicContact CB-CG 3.94Å; C94-L97 PolarHBondContact O-N 3.46Å; Q95-L97 VanDerWaalsContact C-N 3.32Å; L97-S99 PolarHBondContact O-N 2.92Å; L97-F103 HydrophobicContact CD1-CD2 4.44Å; L97-F103 HydrophobicContact CD2-CB 4.01Å; L97-F103 HydrophobicContact CD2-CD2 3.57Å; L97-F103 HydrophobicContact CD2-CG 4.27Å; L97-L170 HydrophobicContact CD1-CB 4.49Å; L97-L171 HydrophobicContact CB-CD2 4.08Å
98K59.7Low68.4Low124 Ų12442 Ų4254%0.53919%0.193SC..SBendtrans-65.9-23.9177.3-78.9178.6-174.1168.90112.8Q95Q95-K98 WeakPolarHBondContact O-CD 3.43Å; Q95-K98 VanDerWaalsContact O-CG 3.26Å; Q95-K98 WeakPolarHBondContact O-CG 3.45Å
99S66.1Low68.9Low32 Ų3247.3 Ų47.322%0.22422%0.216CC..SBendtrans-135147.3174.171.90000110.4L97 E101 E102 F103 E175L97-S99 PolarHBondContact O-N 2.92Å; S99-E101 PolarHBondContact O-N 3.15Å; S99-E102 PolarHBondContact O-N 3.44Å; S99-E102 PolarHBondContact OG-N 2.86Å; S99-F103 PolarHBondContact O-N 2.94Å; S99-F103 VanDerWaalsContact O-N 3.15Å; S99-E175 WeakPolarHBondContact CA-OE2 3.21Å
100C68.8Low69.5Low2 Ų247.4 Ų47.41%0.01422%0.216CC..Hα-helixtrans-60.1-32.1175-160.50000111.7E102 F103 M104 L171 F177C100-E102 PolarHBondContact O-N 3.3Å; C100-F103 WeakPolarHBondContact O-CB 3.49Å; C100-F103 PolarHBondContact O-N 3.33Å; C100-M104 VanDerWaalsContact O-CG 3.23Å; C100-M104 WeakPolarHBondContact O-CG 3.46Å; C100-M104 PolarHBondContact O-N 3.49Å; C100-L171 HydrophobicContact CB-CD1 4.13Å; C100-L171 WeakPolarHBondContact SG-CD1 3.49Å; C100-F177 HydrophobicContact CB-CD1 4.04Å; C100-F177 HydrophobicContact CB-CE1 4.28Å; C100-F177 WeakPolarHBondContact SG-CD1 3.34Å; C100-F177 WeakPolarHBondContact SG-CE1 3.47Å
101E73.7Confident70Confident38 Ų3846 Ų4618%0.17821%0.209CC..Hα-helixtrans-58.9-47175-170.4-168.4158.800112.9S99 M104 K105 K236 A240S99-E101 PolarHBondContact O-N 3.15Å; E101-M104 PolarHBondContact O-N 3.34Å; E101-K105 WeakPolarHBondContact O-CG 3.45Å; E101-K105 PolarHBondContact O-N 2.52Å; E101-K105 VanDerWaalsContact O-N 3.14Å; E101-K105 WeakPolarHBondContact OE1-CE 3.08Å; E101-K105 IonicContact OE1-NZ 3.37Å; E101-K105 PolarHBondContact OE1-NZ 3.26Å; E101-K236 WeakPolarHBondContact OE2-CE 3.23Å; E101-K236 IonicContact OE2-NZ 3.8Å; E101-K236 PolarHBondContact OE2-NZ 3.49Å; E101-A240 HydrophobicContact CB-CB 4.36Å; E101-A240 HydrophobicContact CG-CB 3.68Å
102E75.5Confident70.3Confident88 Ų8850.9 Ų50.941%0.41124%0.238SC..Hα-helixtrans-68.8-36.8178-72.9-176.4166.600111.8Q96 S99 C100 K105 T106Q96-E102 WeakPolarHBondContact O-CB 3.24Å; S99-E102 PolarHBondContact O-N 3.44Å; S99-E102 PolarHBondContact OG-N 2.86Å; C100-E102 PolarHBondContact O-N 3.3Å; E102-K105 PolarHBondContact O-N 3Å; E102-T106 VanDerWaalsContact O-CB 3.3Å; E102-T106 WeakPolarHBondContact O-CB 3.36Å; E102-T106 PolarHBondContact O-N 3.22Å; E102-T106 PolarHBondContact O-OG1 3.37Å
103F76.7Confident70.8Confident3 Ų354.3 Ų54.31%0.01326%0.257CS..Hα-helixtrans-59.1-48.8173.4173.1-96000111.5L97 S99 C100 K105 T106 W107 L164 M167 L171 L178L97-F103 HydrophobicContact CD1-CD2 4.44Å; L97-F103 HydrophobicContact CD2-CB 4.01Å; L97-F103 HydrophobicContact CD2-CD2 3.57Å; L97-F103 HydrophobicContact CD2-CG 4.27Å; S99-F103 PolarHBondContact O-N 2.94Å; S99-F103 VanDerWaalsContact O-N 3.15Å; C100-F103 WeakPolarHBondContact O-CB 3.49Å; C100-F103 PolarHBondContact O-N 3.33Å; F103-K105 PolarHBondContact O-N 2.96Å; F103-T106 CarbonylContact O-C 3.55Å; F103-T106 WeakPolarHBondContact O-CB 3.26Å; F103-T106 PolarHBondContact O-N 3.27Å; F103-T106 VanDerWaalsContact O-N 3.13Å; F103-W107 HydrophobicContact CZ-CE3 4.05Å; F103-W107 WeakPolarHBondContact O-CB 3.09Å; F103-W107 PolarHBondContact O-N 3.26Å; F103-L164 HydrophobicContact CE1-CD1 3.76Å; F103-L164 HydrophobicContact CZ-CD1 4.47Å; F103-M167 HydrophobicContact CE2-CB 4.37Å; F103-M167 HydrophobicContact CE2-CE 4.3Å; F103-M167 HydrophobicContact CE2-CG 3.76Å; F103-M167 HydrophobicContact CE2-SD 3.96Å; F103-M167 HydrophobicContact CZ-CB 3.89Å; F103-M167 HydrophobicContact CZ-CG 3.79Å; F103-M167 HydrophobicContact CZ-SD 4.11Å; F103-L171 HydrophobicContact CB-CD1 4.31Å; F103-L171 HydrophobicContact CB-CD2 3.76Å; F103-L171 HydrophobicContact CD1-CD1 3.87Å; F103-L171 HydrophobicContact CD1-CG 4.46Å; F103-L171 HydrophobicContact CD2-CD2 4Å; F103-L171 HydrophobicContact CD2-CG 4.35Å; F103-L171 HydrophobicContact CE1-CD1 4.34Å; F103-L171 HydrophobicContact CG-CD1 4.01Å; F103-L171 HydrophobicContact CG-CD2 3.85Å; F103-L171 HydrophobicContact CG-CG 4.2Å; F103-L178 HydrophobicContact CE1-CD1 4.36Å
104M77.9Confident71.2Confident0 Ų052.4 Ų52.40%025%0.254CS..Hα-helixtrans-61.5-43.2179-70.9-53.9-156.900113.1C100 E101 T106 W107 R108 L164 F177 L178 A240 L241 I255C100-M104 VanDerWaalsContact O-CG 3.23Å; C100-M104 WeakPolarHBondContact O-CG 3.46Å; C100-M104 PolarHBondContact O-N 3.49Å; E101-M104 PolarHBondContact O-N 3.34Å; M104-T106 PolarHBondContact O-N 3.46Å; M104-W107 WeakPolarHBondContact O-CB 3.26Å; M104-W107 PolarHBondContact O-N 3.04Å; M104-R108 PolarHBondContact O-N 3.46Å; M104-L164 HydrophobicContact CE-CD1 4.46Å; M104-L164 HydrophobicContact CE-CD2 3.91Å; M104-L164 HydrophobicContact CE-CG 4.49Å; M104-L164 HydrophobicContact SD-CD1 3.7Å; M104-L164 HydrophobicContact SD-CD2 4.01Å; M104-L164 HydrophobicContact SD-CG 4.32Å; M104-F177 HydrophobicContact CE-CE1 3.55Å; M104-F177 HydrophobicContact CE-CZ 3.47Å; M104-F177 VanDerWaalsContact CE-CZ 3.47Å; M104-L178 HydrophobicContact CE-CD1 3.69Å; M104-L178 HydrophobicContact CE-CD2 3.64Å; M104-L178 HydrophobicContact CE-CG 3.98Å; M104-L178 HydrophobicContact SD-CD1 4.46Å; M104-A240 HydrophobicContact CB-CB 3.64Å; M104-A240 HydrophobicContact CG-CB 4.36Å; M104-L241 HydrophobicContact CB-CD2 3.87Å; M104-L241 HydrophobicContact CB-CG 3.94Å; M104-L241 HydrophobicContact CE-CD1 3.84Å; M104-L241 HydrophobicContact CE-CG 4.27Å; M104-L241 HydrophobicContact CG-CD2 4.21Å; M104-L241 HydrophobicContact CG-CG 4.02Å; M104-L241 HydrophobicContact SD-CD1 3.76Å; M104-L241 HydrophobicContact SD-CD2 3.6Å; M104-L241 HydrophobicContact SD-CG 3.66Å; M104-I255 HydrophobicContact CE-CD1 4.49Å
105K79.2Confident72.1Confident103 Ų10353.6 Ų53.645%0.44826%0.262SS..Hα-helixtrans-62.9-37.8175.3-72.4175.6-171.6169.20111.6E101 E102 F103 K109 A240E101-K105 WeakPolarHBondContact O-CG 3.45Å; E101-K105 PolarHBondContact O-N 2.52Å; E101-K105 VanDerWaalsContact O-N 3.14Å; E101-K105 WeakPolarHBondContact OE1-CE 3.08Å; E101-K105 IonicContact OE1-NZ 3.37Å; E101-K105 PolarHBondContact OE1-NZ 3.26Å; E102-K105 PolarHBondContact O-N 3Å; F103-K105 PolarHBondContact O-N 2.96Å; K105-K109 PolarHBondContact O-N 3.44Å; K105-A240 HydrophobicContact CG-CB 4.17Å
106T79.2Confident73.5Confident21 Ų2147.4 Ų47.413%0.12923%0.234CC..Hα-helixtrans-69.5-45.6178.4-560000110E102 F103 M104 R108 K109 Y110 F126E102-T106 VanDerWaalsContact O-CB 3.3Å; E102-T106 WeakPolarHBondContact O-CB 3.36Å; E102-T106 PolarHBondContact O-N 3.22Å; E102-T106 PolarHBondContact O-OG1 3.37Å; F103-T106 CarbonylContact O-C 3.55Å; F103-T106 WeakPolarHBondContact O-CB 3.26Å; F103-T106 PolarHBondContact O-N 3.27Å; F103-T106 VanDerWaalsContact O-N 3.13Å; M104-T106 PolarHBondContact O-N 3.46Å; T106-R108 PolarHBondContact O-N 3.19Å; T106-K109 VanDerWaalsContact O-CB 3.3Å; T106-K109 WeakPolarHBondContact O-CB 3.22Å; T106-K109 PolarHBondContact O-N 2.94Å; T106-Y110 HydrophobicContact CG2-CD2 3.93Å; T106-Y110 HydrophobicContact CG2-CE2 3.52Å; T106-Y110 WeakPolarHBondContact O-CD2 3.4Å; T106-Y110 PolarHBondContact O-N 2.85Å; T106-F126 HydrophobicContact CG2-CD2 4.07Å; T106-F126 HydrophobicContact CG2-CE2 3.69Å
107W78.7Confident75.1Confident8 Ų848.1 Ų48.13%0.0324%0.237CC..Hα-helixtrans-51.1-56.1173.3179.8-82.9000111.3F103 M104 K109 Y110 D111 I118 L162 E163 L164 M167F103-W107 HydrophobicContact CZ-CE3 4.05Å; F103-W107 WeakPolarHBondContact O-CB 3.09Å; F103-W107 PolarHBondContact O-N 3.26Å; M104-W107 WeakPolarHBondContact O-CB 3.26Å; M104-W107 PolarHBondContact O-N 3.04Å; W107-K109 PolarHBondContact O-N 3.25Å; W107-K109 VanDerWaalsContact O-N 3.13Å; W107-Y110 PolarHBondContact O-N 3.35Å; W107-D111 PolarHBondContact O-N 3.04Å; W107-I118 HydrophobicContact CD2-CD1 4.32Å; W107-I118 HydrophobicContact CD2-CG1 3.85Å; W107-I118 HydrophobicContact CE3-CD1 4.45Å; W107-I118 HydrophobicContact CE3-CG1 3.63Å; W107-I118 HydrophobicContact CH2-CB 4.03Å; W107-I118 HydrophobicContact CH2-CG1 3.46Å; W107-I118 VanDerWaalsContact CH2-CG1 3.46Å; W107-I118 HydrophobicContact CZ2-CB 4.49Å; W107-I118 HydrophobicContact CZ2-CG1 3.67Å; W107-I118 HydrophobicContact CZ3-CB 4.17Å; W107-I118 HydrophobicContact CZ3-CG1 3.41Å; W107-I118 VanDerWaalsContact CZ3-CG1 3.41Å; W107-L162 WeakPolarHBondContact CH2-O 3.34Å; W107-E163 WeakPolarHBondContact CH2-O 3.37Å; W107-L164 HydrophobicContact CB-CD1 4.35Å; W107-L164 HydrophobicContact CD2-CD1 3.5Å; W107-L164 HydrophobicContact CE3-CD1 3.9Å; W107-L164 HydrophobicContact CG-CD1 3.7Å; W107-L164 HydrophobicContact CH2-CB 4.32Å; W107-L164 VanDerWaalsContact CH2-N 3.3Å; W107-L164 HydrophobicContact CZ2-CB 3.97Å; W107-L164 HydrophobicContact CZ2-CD1 4.29Å; W107-L164 HydrophobicContact CZ3-CD1 4.44Å; W107-M167 HydrophobicContact CE3-CB 4.23Å; W107-M167 HydrophobicContact CE3-CG 4.43Å; W107-M167 HydrophobicContact CE3-SD 3.51Å; W107-M167 VanDerWaalsContact CE3-SD 3.51Å; W107-M167 HydrophobicContact CH2-CB 4.33Å; W107-M167 HydrophobicContact CZ3-CB 3.47Å; W107-M167 VanDerWaalsContact CZ3-CB 3.47Å; W107-M167 HydrophobicContact CZ3-CG 3.98Å; W107-M167 HydrophobicContact CZ3-SD 3.33Å; W107-M167 WeakPolarHBondContact CZ3-SD 3.38Å
108R80.1Confident76.4Confident57 Ų5747.6 Ų47.622%0.21523%0.234CC..Hα-helixtrans-58.3-29.5178.5-169.8-178.5-170.2-100.3-21.6113.5M104 T106 Y110 H114 L241 D243M104-R108 PolarHBondContact O-N 3.46Å; T106-R108 PolarHBondContact O-N 3.19Å; R108-Y110 VanDerWaalsContact C-N 3.33Å; R108-H114 PolarHBondContact NH2-CE1 2.74Å; R108-L241 VanDerWaalsContact CD-O 3.29Å; R108-L241 WeakPolarHBondContact CD-O 3.43Å; R108-L241 PolarHBondContact NE-O 2.79Å; R108-D243 VanDerWaalsContact CZ-CG 3.43Å; R108-D243 IonicContact CZ-OD1 3.53Å; R108-D243 IonicContact CZ-OD2 2.67Å; R108-D243 VanDerWaalsContact NH1-CG 3.28Å; R108-D243 IonicContact NH1-OD1 3.12Å; R108-D243 PolarHBondContact NH1-OD1 3.48Å; R108-D243 IonicContact NH1-OD2 2.66Å; R108-D243 IonicContact NH2-OD1 2.91Å; R108-D243 PolarHBondContact NH2-OD1 3.43Å; R108-D243 IonicContact NH2-OD2 2.78Å; R108-D243 PolarHBondContact NH2-OD2 2.87Å
109K82.6Confident77.6Confident112 Ų11244.5 Ų44.549%0.48722%0.221SC..Hα-helixtrans-68.8-33.7177.1-175.4-166166.2-139.40111.6K105 T106 W107 D129K105-K109 PolarHBondContact O-N 3.44Å; T106-K109 VanDerWaalsContact O-CB 3.3Å; T106-K109 WeakPolarHBondContact O-CB 3.22Å; T106-K109 PolarHBondContact O-N 2.94Å; W107-K109 PolarHBondContact O-N 3.25Å; W107-K109 VanDerWaalsContact O-N 3.13Å; K109-D129 IonicContact NZ-OD2 3.81Å; K109-D129 PolarHBondContact NZ-OD2 3.3Å
110Y82.2Confident78.6Confident17 Ų1745.9 Ų45.97%0.06723%0.229CC..Hα-helixtrans-99-25.1-175.5-65.8-77.3000114.1T106 W107 R108 T112 E122 F126 D129T106-Y110 HydrophobicContact CG2-CD2 3.93Å; T106-Y110 HydrophobicContact CG2-CE2 3.52Å; T106-Y110 WeakPolarHBondContact O-CD2 3.4Å; T106-Y110 PolarHBondContact O-N 2.85Å; W107-Y110 PolarHBondContact O-N 3.35Å; R108-Y110 VanDerWaalsContact C-N 3.33Å; Y110-T112 PolarHBondContact O-N 3.48Å; Y110-E122 WeakPolarHBondContact O-CG 3.3Å; Y110-F126 HydrophobicContact CD1-CB 4.03Å; Y110-F126 HydrophobicContact CD2-CB 4.07Å; Y110-F126 AromaticContact CD2-CD2 3.57Å; Y110-F126 HydrophobicContact CD2-CD2 3.57Å; Y110-F126 HydrophobicContact CD2-CG 4.3Å; Y110-F126 HydrophobicContact CE1-CB 4.25Å; Y110-F126 HydrophobicContact CE2-CB 4.3Å; Y110-F126 AromaticContact CE2-CD2 3.47Å; Y110-F126 HydrophobicContact CE2-CD2 3.47Å; Y110-F126 VanDerWaalsContact CE2-CD2 3.47Å; Y110-F126 HydrophobicContact CE2-CE2 4.3Å; Y110-F126 HydrophobicContact CE2-CG 4.36Å; Y110-F126 HydrophobicContact CG-CB 3.95Å; Y110-F126 HydrophobicContact CG-CD2 4.32Å; Y110-D129 HydrophobicContact CE1-CB 4.15Å; Y110-D129 WeakPolarHBondContact OH-CB 3.27Å; Y110-D129 VanDerWaalsContact OH-CG 3.31Å; Y110-D129 PolarHBondContact OH-OD2 3.13Å
111D82.1Confident79.3Confident6 Ų651.5 Ų51.53%0.03226%0.255CS..  trans-7478.3166.4178.35.2000108.3W107 D113 H114 S115 G116 I118W107-D111 PolarHBondContact O-N 3.04Å; D111-D113 VanDerWaalsContact C-N 3.35Å; D111-H114 PolarHBondContact O-N 3.24Å; D111-H114 WeakPolarHBondContact OD1-CA 3.16Å; D111-H114 PolarHBondContact OD1-N 2.67Å; D111-S115 PolarHBondContact OD1-N 2.77Å; D111-S115 PolarHBondContact OD1-OG 3.32Å; D111-G116 PolarHBondContact OD1-N 2.89Å; D111-G116 VanDerWaalsContact OD2-CA 3.28Å; D111-G116 WeakPolarHBondContact OD2-CA 3.26Å; D111-G116 PolarHBondContact OD2-N 3.3Å; D111-I118 HydrophobicContact CB-CD1 3.83Å
112T75.1Confident80Confident106 Ų10650.3 Ų50.365%0.6525%0.249SC*.THydrogen-bonded Turntrans-76.6-26-168.352.20000113Y110 E122Y110-T112 PolarHBondContact O-N 3.48Å; T112-E122 PolarHBondContact N-OE1 2.96Å; T112-E122 PolarHBondContact OG1-OE1 3.49Å
113D76.8Confident80.4Confident89 Ų8946.1 Ų46.148%0.47623%0.23SC..THydrogen-bonded Turntrans-94.80.417972.7-13.9000112.9D111 S115D111-D113 VanDerWaalsContact C-N 3.35Å; D113-S115 PolarHBondContact O-N 3.15Å; D113-S115 WeakPolarHBondContact OD1-CB 3.28Å; D113-S115 PolarHBondContact OD1-N 2.94Å; D113-S115 PolarHBondContact OD1-OG 2.91Å; D113-S115 WeakPolarHBondContact OD2-CB 3.22Å
114H71.3Confident80.9Confident79 Ų7948.5 Ų48.537%0.36624%0.24SC..  trans53.532.7-174.9-60.8-78.5000111.8R108 D111 G116R108-H114 PolarHBondContact NH2-CE1 2.74Å; D111-H114 PolarHBondContact O-N 3.24Å; D111-H114 WeakPolarHBondContact OD1-CA 3.16Å; D111-H114 PolarHBondContact OD1-N 2.67Å; H114-G116 PolarHBondContact O-N 3.04Å
115S76.1Confident81.2Confident40 Ų4052.5 Ų52.528%0.2826%0.261SS..  trans-66.3-24.1176.260.80000111.2D111 D113 F117D111-S115 PolarHBondContact OD1-N 2.77Å; D111-S115 PolarHBondContact OD1-OG 3.32Å; D113-S115 PolarHBondContact O-N 3.15Å; D113-S115 WeakPolarHBondContact OD1-CB 3.28Å; D113-S115 PolarHBondContact OD1-N 2.94Å; D113-S115 PolarHBondContact OD1-OG 2.91Å; D113-S115 WeakPolarHBondContact OD2-CB 3.22Å; S115-F117 VanDerWaalsContact C-N 3.31Å; S115-F117 WeakPolarHBondContact O-CD2 3.48Å; S115-F117 WeakPolarHBondContact O-CE2 3.37Å; S115-F117 PolarHBondContact OG-N 3.24Å; S115-F117 PolarHBondContact OG-O 3.39Å; S115-F117 VanDerWaalsContact OG-O 3.07Å
116G76.6Confident81.3Confident5 Ų548.1 Ų48.15%0.05224%0.242CC..SBendtrans882.6-173.100000113.9D111 H114D111-G116 PolarHBondContact OD1-N 2.89Å; D111-G116 VanDerWaalsContact OD2-CA 3.28Å; D111-G116 WeakPolarHBondContact OD2-CA 3.26Å; D111-G116 PolarHBondContact OD2-N 3.3Å; H114-G116 PolarHBondContact O-N 3.04Å
117F82.4Confident81.4Confident67 Ų6747.1 Ų47.129%0.29424%0.236SC..EExtended strand (participates in β ladder)trans-129.7144.8-178.8-55.1-94.2000108.7S115 K161 L162 E163S115-F117 VanDerWaalsContact C-N 3.31Å; S115-F117 WeakPolarHBondContact O-CD2 3.48Å; S115-F117 WeakPolarHBondContact O-CE2 3.37Å; S115-F117 PolarHBondContact OG-N 3.24Å; S115-F117 PolarHBondContact OG-O 3.39Å; S115-F117 VanDerWaalsContact OG-O 3.07Å; F117-K161 HydrophobicContact CB-CB 4.01Å; F117-K161 HydrophobicContact CB-CD 4.04Å; F117-K161 HydrophobicContact CG-CD 4.35Å; F117-L162 CarbonylContact C-O 3.58Å; F117-L162 VanDerWaalsContact CA-O 3.31Å; F117-L162 WeakPolarHBondContact CA-O 3.49Å; F117-E163 HydrophobicContact CD1-CB 4.48Å; F117-E163 HydrophobicContact CD1-CG 3.75Å; F117-E163 HydrophobicContact CE1-CG 3.65Å
118I83.6Confident81.6Confident3 Ų350.8 Ų50.82%0.01525%0.252CS..EExtended strand (participates in β ladder)trans-94.3111.6170.5-65.5-67.5000108W107 D111 E122 L123 L162W107-I118 HydrophobicContact CD2-CD1 4.32Å; W107-I118 HydrophobicContact CD2-CG1 3.85Å; W107-I118 HydrophobicContact CE3-CD1 4.45Å; W107-I118 HydrophobicContact CE3-CG1 3.63Å; W107-I118 HydrophobicContact CH2-CB 4.03Å; W107-I118 HydrophobicContact CH2-CG1 3.46Å; W107-I118 VanDerWaalsContact CH2-CG1 3.46Å; W107-I118 HydrophobicContact CZ2-CB 4.49Å; W107-I118 HydrophobicContact CZ2-CG1 3.67Å; W107-I118 HydrophobicContact CZ3-CB 4.17Å; W107-I118 HydrophobicContact CZ3-CG1 3.41Å; W107-I118 VanDerWaalsContact CZ3-CG1 3.41Å; D111-I118 HydrophobicContact CB-CD1 3.83Å; I118-E122 HydrophobicContact CG2-CB 3.98Å; I118-L123 HydrophobicContact CG2-CB 3.74Å; I118-L123 HydrophobicContact CG2-CD1 4.37Å; I118-L162 HydrophobicContact CB-CB 4.34Å; I118-L162 PolarHBondContact N-O 3.48Å; I118-L162 PolarHBondContact O-N 3.35Å
119E85.8Confident81.7Confident58 Ų5850.3 Ų50.327%0.27125%0.254SS..EExtended strand (participates in β ladder)trans-80.6166-177.6-60.6175148.100111E121 E122 L123 K161E119-E121 VanDerWaalsContact C-N 3.26Å; E119-E121 PolarHBondContact O-N 3.21Å; E119-E121 VanDerWaalsContact O-N 3.14Å; E119-E122 PolarHBondContact N-OE2 3.33Å; E119-E122 VanDerWaalsContact N-OE2 3.16Å; E119-E122 PolarHBondContact O-N 3.42Å; E119-L123 WeakPolarHBondContact O-CB 3.41Å; E119-L123 PolarHBondContact O-N 3.45Å; E119-K161 HydrophobicContact CG-CD 4.11Å; E119-K161 HydrophobicContact CG-CG 4.33Å; E119-K161 IonicContact OE1-NZ 3.66Å; E119-K161 PolarHBondContact OE1-NZ 2.87Å
120T85.7Confident81.3Confident61 Ų6145.3 Ų45.337%0.37423%0.233SC..Hα-helixtrans-52.7-42.7-175-50.20000113.2K124 T147 L151 G160T120-K124 VanDerWaalsContact O-CB 3.31Å; T120-K124 WeakPolarHBondContact O-CB 3.5Å; T120-K124 PolarHBondContact O-N 2.83Å; T120-T147 HydrophobicContact CG2-CG2 3.8Å; T120-L151 HydrophobicContact CG2-CD1 3.95Å; T120-G160 PolarHBondContact OG1-O 3.49Å
121E84.8Confident81Confident120 Ų12044.7 Ų44.756%0.56123%0.23SC*.Hα-helixtrans-72.2-35.6179.2-68.2-60.2135.800112.4E119 K124 N125E119-E121 VanDerWaalsContact C-N 3.26Å; E119-E121 PolarHBondContact O-N 3.21Å; E119-E121 VanDerWaalsContact O-N 3.14Å; E121-K124 WeakPolarHBondContact O-CB 3.45Å; E121-K124 PolarHBondContact O-N 3.48Å; E121-N125 VanDerWaalsContact O-CG 3.29Å; E121-N125 PolarHBondContact O-N 2.93Å; E121-N125 PolarHBondContact O-ND2 2.97Å; E121-N125 VanDerWaalsContact O-ND2 3.14Å
122E87.1Confident80.9Confident14 Ų1449.5 Ų49.57%0.06525%0.253CS..Hα-helixtrans-69.2-41.2175.6-65.2-177.6138.200111.3Y110 T112 I118 E119 K124 N125 F126Y110-E122 WeakPolarHBondContact O-CG 3.3Å; T112-E122 PolarHBondContact N-OE1 2.96Å; T112-E122 PolarHBondContact OG1-OE1 3.49Å; I118-E122 HydrophobicContact CG2-CB 3.98Å; E119-E122 PolarHBondContact N-OE2 3.33Å; E119-E122 VanDerWaalsContact N-OE2 3.16Å; E119-E122 PolarHBondContact O-N 3.42Å; E122-K124 VanDerWaalsContact C-N 3.33Å; E122-K124 PolarHBondContact O-N 3.07Å; E122-N125 PolarHBondContact O-N 3.45Å; E122-F126 WeakPolarHBondContact O-CB 3.09Å; E122-F126 PolarHBondContact O-N 3.21Å
123L84.6Confident80.8Confident0 Ų050.1 Ų50.10%025%0.246CC..Hα-helixtrans-60.6-44.4172.7-176.156.8000110.7I118 E119 N125 F126 L127 T147 M150 L151 L162I118-L123 HydrophobicContact CG2-CB 3.74Å; I118-L123 HydrophobicContact CG2-CD1 4.37Å; E119-L123 WeakPolarHBondContact O-CB 3.41Å; E119-L123 PolarHBondContact O-N 3.45Å; L123-N125 VanDerWaalsContact C-N 3.33Å; L123-N125 PolarHBondContact O-N 3.46Å; L123-F126 HydrophobicContact CD1-CD1 4.11Å; L123-F126 WeakPolarHBondContact O-CB 3.41Å; L123-F126 PolarHBondContact O-N 3.24Å; L123-L127 HydrophobicContact CD1-CG 4.3Å; L123-L127 HydrophobicContact CG-CD1 4.28Å; L123-L127 HydrophobicContact CG-CG 4.45Å; L123-L127 VanDerWaalsContact O-CG 3.28Å; L123-L127 WeakPolarHBondContact O-CG 3.48Å; L123-L127 PolarHBondContact O-N 2.94Å; L123-T147 HydrophobicContact CB-CG2 4.24Å; L123-T147 HydrophobicContact CD2-CG2 3.96Å; L123-T147 HydrophobicContact CG-CG2 4.13Å; L123-M150 HydrophobicContact CD2-CB 4.06Å; L123-L151 HydrophobicContact CD2-CD2 4.14Å; L123-L151 HydrophobicContact CD2-CG 3.86Å; L123-L162 HydrophobicContact CD1-CD1 3.91Å; L123-L162 HydrophobicContact CD2-CD1 3.66Å; L123-L162 HydrophobicContact CD2-CG 4.35Å; L123-L162 HydrophobicContact CG-CD1 4.39Å
124K86.4Confident80.4Confident53 Ų5347.8 Ų47.823%0.2324%0.24CC..Hα-helixtrans-59.9-43.5176.6-172.5179.6179.3-176.40111.6T120 E121 E122 L127 K128 L143 T147T120-K124 VanDerWaalsContact O-CB 3.31Å; T120-K124 WeakPolarHBondContact O-CB 3.5Å; T120-K124 PolarHBondContact O-N 2.83Å; E121-K124 WeakPolarHBondContact O-CB 3.45Å; E121-K124 PolarHBondContact O-N 3.48Å; E122-K124 VanDerWaalsContact C-N 3.33Å; E122-K124 PolarHBondContact O-N 3.07Å; K124-L127 PolarHBondContact O-N 3.33Å; K124-K128 WeakPolarHBondContact O-CB 3.25Å; K124-K128 PolarHBondContact O-N 2.86Å; K124-L143 HydrophobicContact CD-CD2 4.49Å; K124-L143 HydrophobicContact CG-CD2 3.66Å; K124-L143 HydrophobicContact CG-CG 3.91Å; K124-T147 HydrophobicContact CB-CG2 4.32Å
125N85.3Confident80.4Confident83 Ų8351.3 Ų51.344%0.44426%0.261SS..Hα-helixtrans-65.5-41.4174.9-71.8-34000112.1E121 E122 L123 K128 D129E121-N125 VanDerWaalsContact O-CG 3.29Å; E121-N125 PolarHBondContact O-N 2.93Å; E121-N125 PolarHBondContact O-ND2 2.97Å; E121-N125 VanDerWaalsContact O-ND2 3.14Å; E122-N125 PolarHBondContact O-N 3.45Å; L123-N125 VanDerWaalsContact C-N 3.33Å; L123-N125 PolarHBondContact O-N 3.46Å; N125-K128 PolarHBondContact O-N 3.5Å; N125-D129 WeakPolarHBondContact O-CB 3.4Å; N125-D129 PolarHBondContact O-N 3.01Å
126F81.8Confident80.4Confident11 Ų1152.5 Ų52.55%0.04826%0.261CS..Hα-helixtrans-57.4-50.9173.9166.1-98.9000111.8T106 Y110 E122 L123 K128 D129 L130 M167T106-F126 HydrophobicContact CG2-CD2 4.07Å; T106-F126 HydrophobicContact CG2-CE2 3.69Å; Y110-F126 HydrophobicContact CD1-CB 4.03Å; Y110-F126 HydrophobicContact CD2-CB 4.07Å; Y110-F126 AromaticContact CD2-CD2 3.57Å; Y110-F126 HydrophobicContact CD2-CD2 3.57Å; Y110-F126 HydrophobicContact CD2-CG 4.3Å; Y110-F126 HydrophobicContact CE1-CB 4.25Å; Y110-F126 HydrophobicContact CE2-CB 4.3Å; Y110-F126 AromaticContact CE2-CD2 3.47Å; Y110-F126 HydrophobicContact CE2-CD2 3.47Å; Y110-F126 VanDerWaalsContact CE2-CD2 3.47Å; Y110-F126 HydrophobicContact CE2-CE2 4.3Å; Y110-F126 HydrophobicContact CE2-CG 4.36Å; Y110-F126 HydrophobicContact CG-CB 3.95Å; Y110-F126 HydrophobicContact CG-CD2 4.32Å; E122-F126 WeakPolarHBondContact O-CB 3.09Å; E122-F126 PolarHBondContact O-N 3.21Å; L123-F126 HydrophobicContact CD1-CD1 4.11Å; L123-F126 WeakPolarHBondContact O-CB 3.41Å; L123-F126 PolarHBondContact O-N 3.24Å; F126-K128 VanDerWaalsContact C-N 3.31Å; F126-K128 PolarHBondContact O-N 3.17Å; F126-D129 PolarHBondContact O-N 3.36Å; F126-L130 HydrophobicContact CE1-CD1 3.86Å; F126-L130 HydrophobicContact CE2-CD1 4.36Å; F126-L130 HydrophobicContact CZ-CD1 3.65Å; F126-L130 VanDerWaalsContact O-CB 3.3Å; F126-L130 WeakPolarHBondContact O-CB 3.45Å; F126-L130 PolarHBondContact O-N 3.02Å; F126-M167 HydrophobicContact CD1-CE 3.74Å; F126-M167 HydrophobicContact CE1-CE 3.29Å; F126-M167 HydrophobicContact CE2-CE 4.14Å; F126-M167 HydrophobicContact CG-CE 4.33Å; F126-M167 HydrophobicContact CZ-CE 3.52Å
127L80.7Confident80.1Confident0 Ų059 Ų590%030%0.3CS..Hα-helixtrans-63-39.4179.5-66.8178.8000111.2L91 L123 K124 L130 L131 L143 M150L91-L127 HydrophobicContact CD1-CD2 4.16Å; L91-L127 HydrophobicContact CD2-CD2 3.79Å; L91-L127 HydrophobicContact CG-CD2 4.43Å; L123-L127 HydrophobicContact CD1-CG 4.3Å; L123-L127 HydrophobicContact CG-CD1 4.28Å; L123-L127 HydrophobicContact CG-CG 4.45Å; L123-L127 VanDerWaalsContact O-CG 3.28Å; L123-L127 WeakPolarHBondContact O-CG 3.48Å; L123-L127 PolarHBondContact O-N 2.94Å; K124-L127 PolarHBondContact O-N 3.33Å; L127-L130 PolarHBondContact O-N 2.78Å; L127-L131 WeakPolarHBondContact O-CB 3.25Å; L127-L131 WeakPolarHBondContact O-CD1 3.31Å; L127-L131 VanDerWaalsContact O-CG 3.23Å; L127-L131 WeakPolarHBondContact O-CG 3.33Å; L127-L131 PolarHBondContact O-N 3.43Å; L127-L143 HydrophobicContact CB-CD1 3.61Å; L127-M150 HydrophobicContact CD1-CG 4.35Å; L127-M150 HydrophobicContact CD2-CE 4.26Å
128K83.7Confident79.7Confident86 Ų8657.2 Ų57.237%0.37430%0.295SS..Hα-helixtrans-62-52.9176.2-174.3177.1175.8177.30111.8K124 N125 F126 L130 L131 E132 L143K124-K128 WeakPolarHBondContact O-CB 3.25Å; K124-K128 PolarHBondContact O-N 2.86Å; N125-K128 PolarHBondContact O-N 3.5Å; F126-K128 VanDerWaalsContact C-N 3.31Å; F126-K128 PolarHBondContact O-N 3.17Å; K128-L130 PolarHBondContact O-N 2.9Å; K128-L131 PolarHBondContact O-N 2.98Å; K128-E132 WeakPolarHBondContact CE-OE1 3.23Å; K128-E132 HydrophobicContact CG-CG 4.47Å; K128-E132 WeakPolarHBondContact O-CB 3.4Å; K128-E132 WeakPolarHBondContact O-CG 3.45Å; K128-E132 PolarHBondContact O-N 3.49Å; K128-L143 HydrophobicContact CB-CD1 4.38Å; K128-L143 HydrophobicContact CB-CD2 3.88Å; K128-L143 HydrophobicContact CD-CD2 4.42Å; K128-L143 HydrophobicContact CG-CD2 4.33Å
129D80.6Confident79.6Confident47 Ų4762 Ų6225%0.25132%0.32SS..Hα-helixtrans-58.5-37177.9-91.723.7000111.2K109 Y110 N125 F126 K133K109-D129 IonicContact NZ-OD2 3.81Å; K109-D129 PolarHBondContact NZ-OD2 3.3Å; Y110-D129 HydrophobicContact CE1-CB 4.15Å; Y110-D129 WeakPolarHBondContact OH-CB 3.27Å; Y110-D129 VanDerWaalsContact OH-CG 3.31Å; Y110-D129 PolarHBondContact OH-OD2 3.13Å; N125-D129 WeakPolarHBondContact O-CB 3.4Å; N125-D129 PolarHBondContact O-N 3.01Å; F126-D129 PolarHBondContact O-N 3.36Å; D129-K133 WeakPolarHBondContact O-CB 3.34Å; D129-K133 VanDerWaalsContact O-CG 3.23Å; D129-K133 WeakPolarHBondContact O-CG 3.27Å; D129-K133 PolarHBondContact O-N 2.91Å
130L74.9Confident79.6Confident7 Ų764.2 Ų64.24%0.03733%0.334CS..Hα-helixtrans-65.8-46.6178.4-168.8159.8000111.4L91 C94 F126 L127 K128 K133 A134L91-L130 HydrophobicContact CD2-CD2 3.97Å; C94-L130 HydrophobicContact CB-CD1 3.79Å; C94-L130 HydrophobicContact CB-CD2 4.4Å; C94-L130 HydrophobicContact CB-CG 4.26Å; C94-L130 WeakPolarHBondContact SG-CD1 3.47Å; F126-L130 HydrophobicContact CE1-CD1 3.86Å; F126-L130 HydrophobicContact CE2-CD1 4.36Å; F126-L130 HydrophobicContact CZ-CD1 3.65Å; F126-L130 VanDerWaalsContact O-CB 3.3Å; F126-L130 WeakPolarHBondContact O-CB 3.45Å; F126-L130 PolarHBondContact O-N 3.02Å; L127-L130 PolarHBondContact O-N 2.78Å; K128-L130 PolarHBondContact O-N 2.9Å; L130-K133 PolarHBondContact O-N 3.36Å; L130-A134 PolarHBondContact O-N 3.35Å
131L76.4Confident79.5Confident3 Ų366.2 Ų66.22%0.01635%0.346CS..Hα-helixtrans-66.4-42.6177.9-70.4163.7000111.7L91 L127 K128 K133 A134 N135 K136 V138 L143L91-L131 HydrophobicContact CD2-CD1 4.32Å; L91-L131 HydrophobicContact CD2-CD2 3.99Å; L91-L131 HydrophobicContact CD2-CG 4.01Å; L127-L131 WeakPolarHBondContact O-CB 3.25Å; L127-L131 WeakPolarHBondContact O-CD1 3.31Å; L127-L131 VanDerWaalsContact O-CG 3.23Å; L127-L131 WeakPolarHBondContact O-CG 3.33Å; L127-L131 PolarHBondContact O-N 3.43Å; K128-L131 PolarHBondContact O-N 2.98Å; L131-K133 PolarHBondContact O-N 3.45Å; L131-A134 CarbonylContact O-C 3.53Å; L131-A134 WeakPolarHBondContact O-CA 3.34Å; L131-A134 PolarHBondContact O-N 3.28Å; L131-A134 VanDerWaalsContact O-N 3.12Å; L131-N135 PolarHBondContact O-N 2.95Å; L131-K136 CarbonylContact C-O 3.55Å; L131-K136 VanDerWaalsContact C-O 3.24Å; L131-K136 PolarHBondContact O-N 3.48Å; L131-V138 HydrophobicContact CB-CG2 4.23Å; L131-V138 HydrophobicContact CD1-CB 3.89Å; L131-V138 HydrophobicContact CD1-CG1 4.43Å; L131-V138 HydrophobicContact CD1-CG2 3.55Å; L131-V138 HydrophobicContact CD2-CG2 3.77Å; L131-V138 HydrophobicContact CG-CG2 4.05Å; L131-L143 HydrophobicContact CD1-CD1 4.01Å
132E78.9Confident79.4Confident107 Ų10764.1 Ų64.150%0.534%0.335SS..Hα-helixtrans-60-43.8175.2-75.5-174.9-17800111.6K128 A134 N135K128-E132 WeakPolarHBondContact CE-OE1 3.23Å; K128-E132 HydrophobicContact CG-CG 4.47Å; K128-E132 WeakPolarHBondContact O-CB 3.4Å; K128-E132 WeakPolarHBondContact O-CG 3.45Å; K128-E132 PolarHBondContact O-N 3.49Å; E132-A134 VanDerWaalsContact C-N 3.29Å; E132-A134 PolarHBondContact O-N 3.45Å; E132-N135 WeakPolarHBondContact O-CA 3.42Å; E132-N135 PolarHBondContact O-N 3Å
133K72.5Confident79.3Confident119 Ų11963.7 Ų63.752%0.51733%0.333SS..Hα-helixtrans-66.7-29.2175.2-74.2179.4-170.3170.70113.4Q96 D129 L130 L131 N135Q96-K133 VanDerWaalsContact NE2-NZ 3.17Å; D129-K133 WeakPolarHBondContact O-CB 3.34Å; D129-K133 VanDerWaalsContact O-CG 3.23Å; D129-K133 WeakPolarHBondContact O-CG 3.27Å; D129-K133 PolarHBondContact O-N 2.91Å; L130-K133 PolarHBondContact O-N 3.36Å; L131-K133 PolarHBondContact O-N 3.45Å; K133-N135 PolarHBondContact O-N 2.85Å
134A68.5Low79.4Confident41 Ų4165.8 Ų65.834%0.33935%0.351SS..THydrogen-bonded Turntrans-76.54.6170.900000113L90 L130 L131 E132 K136L90-A134 HydrophobicContact CD1-CB 4.27Å; L90-A134 HydrophobicContact CD2-CB 4.39Å; L130-A134 PolarHBondContact O-N 3.35Å; L131-A134 CarbonylContact O-C 3.53Å; L131-A134 WeakPolarHBondContact O-CA 3.34Å; L131-A134 PolarHBondContact O-N 3.28Å; L131-A134 VanDerWaalsContact O-N 3.12Å; E132-A134 VanDerWaalsContact C-N 3.29Å; E132-A134 PolarHBondContact O-N 3.45Å; A134-K136 PolarHBondContact O-N 2.88Å
135N71.6Confident79.4Confident153 Ų15366.6 Ų66.682%0.81836%0.356SS*.THydrogen-bonded Turntrans57.333.5-176.6-157.537.7000112.6L131 E132 K133L131-N135 PolarHBondContact O-N 2.95Å; E132-N135 WeakPolarHBondContact O-CA 3.42Å; E132-N135 PolarHBondContact O-N 3Å; K133-N135 PolarHBondContact O-N 2.85Å
136K75.7Confident79.3Confident65 Ų6562.7 Ų62.728%0.28334%0.335SS..  trans-116.7119.9176.1-67.7-73.9-169.4157.10108.8E86 L90 L131 A134E86-K136 IonicContact OE2-NZ 2.94Å; E86-K136 PolarHBondContact OE2-NZ 3.33Å; L90-K136 HydrophobicContact CD1-CB 4.43Å; L90-K136 HydrophobicContact CD1-CD 4.26Å; L90-K136 HydrophobicContact CD1-CG 3.52Å; L131-K136 CarbonylContact C-O 3.55Å; L131-K136 VanDerWaalsContact C-O 3.24Å; L131-K136 PolarHBondContact O-N 3.48Å; A134-K136 PolarHBondContact O-N 2.88Å
137T71.6Confident79.5Confident141 Ų14162.3 Ų62.387%0.86533%0.333SS*.  trans-87.7123.3169.238.70000108.9
138V73.2Confident79.7Confident29 Ų2965.9 Ų65.918%0.17635%0.353CS..  trans-115.5141177-174.50000107.7L131 K142 Y146L131-V138 HydrophobicContact CB-CG2 4.23Å; L131-V138 HydrophobicContact CD1-CB 3.89Å; L131-V138 HydrophobicContact CD1-CG1 4.43Å; L131-V138 HydrophobicContact CD1-CG2 3.55Å; L131-V138 HydrophobicContact CD2-CG2 3.77Å; L131-V138 HydrophobicContact CG-CG2 4.05Å; V138-K142 HydrophobicContact CG1-CB 3.38Å; V138-K142 HydrophobicContact CG1-CD 4.26Å; V138-K142 HydrophobicContact CG1-CG 4.43Å; V138-Y146 HydrophobicContact CG1-CE2 4.02Å
139D82.9Confident79.7Confident104 Ų10462.5 Ų62.556%0.55634%0.338SS*.  trans-67.3148.1177.4-169.5-90.5000110.9T141 K142 L143D139-T141 PolarHBondContact O-N 3.27Å; D139-T141 VanDerWaalsContact O-N 3.1Å; D139-T141 VanDerWaalsContact OD1-CB 3.23Å; D139-T141 WeakPolarHBondContact OD1-CB 3.44Å; D139-T141 PolarHBondContact OD1-N 2.88Å; D139-T141 PolarHBondContact OD1-OG1 3.29Å; D139-K142 PolarHBondContact O-N 3.27Å; D139-L143 PolarHBondContact O-N 2.86Å
140D84Confident79.7Confident104 Ų10460.4 Ų60.456%0.55633%0.327SS*.Hα-helixtrans-55.5-30.8178.5-78-17.3000112.4A144D140-A144 WeakPolarHBondContact O-CB 3.34Å; D140-A144 PolarHBondContact O-N 3.29Å
141T85.5Confident80.1Confident104 Ų10460.8 Ų60.864%0.63833%0.329SS*.Hα-helixtrans-65.2-46.2176.1-45.10000111.5D139 A144 E145D139-T141 PolarHBondContact O-N 3.27Å; D139-T141 VanDerWaalsContact O-N 3.1Å; D139-T141 VanDerWaalsContact OD1-CB 3.23Å; D139-T141 WeakPolarHBondContact OD1-CB 3.44Å; D139-T141 PolarHBondContact OD1-N 2.88Å; D139-T141 PolarHBondContact OD1-OG1 3.29Å; T141-A144 PolarHBondContact O-N 2.99Å; T141-E145 PolarHBondContact O-N 2.66Å
142K82.8Confident80.3Confident75 Ų7566.2 Ų66.233%0.32635%0.353SS..Hα-helixtrans-71.4-36177.7-87-158.8168.8-152.10111.6E85 V138 D139 A144 E145 Y146E85-K142 IonicContact OE2-NZ 3.79Å; E85-K142 PolarHBondContact OE2-NZ 3.03Å; V138-K142 HydrophobicContact CG1-CB 3.38Å; V138-K142 HydrophobicContact CG1-CD 4.26Å; V138-K142 HydrophobicContact CG1-CG 4.43Å; D139-K142 PolarHBondContact O-N 3.27Å; K142-A144 VanDerWaalsContact C-N 3.34Å; K142-E145 WeakPolarHBondContact O-CB 3.45Å; K142-E145 PolarHBondContact O-N 2.93Å; K142-Y146 HydrophobicContact CB-CE2 4.45Å; K142-Y146 WeakPolarHBondContact O-CD2 3.34Å; K142-Y146 VanDerWaalsContact O-CG 3.23Å; K142-Y146 PolarHBondContact O-N 3.46Å
143L85.1Confident80.1Confident5 Ų562 Ų623%0.02633%0.333CS..Hα-helixtrans-61.5-45.5174.8-176.866.3000110.7K124 L127 K128 L131 D139 E145 Y146 T147K124-L143 HydrophobicContact CD-CD2 4.49Å; K124-L143 HydrophobicContact CG-CD2 3.66Å; K124-L143 HydrophobicContact CG-CG 3.91Å; L127-L143 HydrophobicContact CB-CD1 3.61Å; K128-L143 HydrophobicContact CB-CD1 4.38Å; K128-L143 HydrophobicContact CB-CD2 3.88Å; K128-L143 HydrophobicContact CD-CD2 4.42Å; K128-L143 HydrophobicContact CG-CD2 4.33Å; L131-L143 HydrophobicContact CD1-CD1 4.01Å; D139-L143 PolarHBondContact O-N 2.86Å; L143-E145 VanDerWaalsContact C-N 3.34Å; L143-E145 PolarHBondContact O-N 2.77Å; L143-Y146 PolarHBondContact O-N 3.48Å; L143-T147 PolarHBondContact O-N 3.28Å; L143-T147 PolarHBondContact O-OG1 2.82Å
144A86.6Confident80.3Confident45 Ų4556.6 Ų56.637%0.37231%0.31SS..Hα-helixtrans-62.4-40.1175.100000112.2D140 T141 K142 T147 D148D140-A144 WeakPolarHBondContact O-CB 3.34Å; D140-A144 PolarHBondContact O-N 3.29Å; T141-A144 PolarHBondContact O-N 2.99Å; K142-A144 VanDerWaalsContact C-N 3.34Å; A144-T147 PolarHBondContact O-N 3.01Å; A144-D148 WeakPolarHBondContact O-CB 3.32Å; A144-D148 PolarHBondContact O-N 2.72Å
145E85.6Confident81Confident70 Ų7055.1 Ų55.133%0.32730%0.296SS..Hα-helixtrans-59.3-46.3172.7-172.9-177.5162.600111S14 T141 K142 L143 T147 D148 L149S14-E145 PolarHBondContact OG-OE1 2.97Å; T141-E145 PolarHBondContact O-N 2.66Å; K142-E145 WeakPolarHBondContact O-CB 3.45Å; K142-E145 PolarHBondContact O-N 2.93Å; L143-E145 VanDerWaalsContact C-N 3.34Å; L143-E145 PolarHBondContact O-N 2.77Å; E145-T147 PolarHBondContact O-N 2.82Å; E145-D148 PolarHBondContact O-N 2.85Å; E145-L149 HydrophobicContact CG-CD1 3.78Å; E145-L149 HydrophobicContact CG-CG 4.42Å; E145-L149 WeakPolarHBondContact O-CB 3.37Å; E145-L149 WeakPolarHBondContact O-CD1 3.42Å; E145-L149 WeakPolarHBondContact O-CG 3.07Å; E145-L149 PolarHBondContact O-N 3.27Å
146Y83Confident81Confident0 Ų051.1 Ų51.10%028%0.28CS..Hα-helixtrans-64.9-39.7177-61.8-25.5000112.8A13 E85 N87 F88 L91 V138 K142 L143 M150A13-Y146 HydrophobicContact CB-CD1 3.92Å; A13-Y146 HydrophobicContact CB-CE1 3.59Å; E85-Y146 WeakPolarHBondContact OE1-CE1 3.43Å; E85-Y146 PolarHBondContact OE1-OH 2.9Å; E85-Y146 PolarHBondContact OE2-OH 3.2Å; N87-Y146 HydrophobicContact CB-CE2 4.35Å; F88-Y146 HydrophobicContact CB-CE1 4.39Å; F88-Y146 HydrophobicContact CD2-CD1 4.08Å; F88-Y146 HydrophobicContact CD2-CE1 4.21Å; L91-Y146 HydrophobicContact CD1-CD2 4.14Å; L91-Y146 HydrophobicContact CD1-CG 4.05Å; V138-Y146 HydrophobicContact CG1-CE2 4.02Å; K142-Y146 HydrophobicContact CB-CE2 4.45Å; K142-Y146 WeakPolarHBondContact O-CD2 3.34Å; K142-Y146 VanDerWaalsContact O-CG 3.23Å; K142-Y146 PolarHBondContact O-N 3.46Å; L143-Y146 PolarHBondContact O-N 3.48Å; Y146-M150 VanDerWaalsContact O-CB 3.3Å; Y146-M150 WeakPolarHBondContact O-CB 3.13Å; Y146-M150 WeakPolarHBondContact O-CG 3.38Å; Y146-M150 PolarHBondContact O-N 3.18Å
147T85.7Confident81.1Confident4 Ų451.6 Ų51.63%0.02529%0.286CS..Hα-helixtrans-61.1-49.6175-58.90000111.3T120 L123 K124 L143 A144 E145 L149 M150 L151T120-T147 HydrophobicContact CG2-CG2 3.8Å; L123-T147 HydrophobicContact CB-CG2 4.24Å; L123-T147 HydrophobicContact CD2-CG2 3.96Å; L123-T147 HydrophobicContact CG-CG2 4.13Å; K124-T147 HydrophobicContact CB-CG2 4.32Å; L143-T147 PolarHBondContact O-N 3.28Å; L143-T147 PolarHBondContact O-OG1 2.82Å; A144-T147 PolarHBondContact O-N 3.01Å; E145-T147 PolarHBondContact O-N 2.82Å; T147-L149 VanDerWaalsContact C-N 3.33Å; T147-L149 PolarHBondContact O-N 2.91Å; T147-M150 PolarHBondContact O-N 3.39Å; T147-L151 HydrophobicContact CG2-CD1 4.29Å; T147-L151 WeakPolarHBondContact O-CG 3.5Å; T147-L151 PolarHBondContact O-N 3.06Å
148D85.8Confident81.3Confident75 Ų7551.3 Ų51.340%0.40128%0.279SS..Hα-helixtrans-61.5-42.3179.817679.1000111.8A144 E145 L151 K152A144-D148 WeakPolarHBondContact O-CB 3.32Å; A144-D148 PolarHBondContact O-N 2.72Å; E145-D148 PolarHBondContact O-N 2.85Å; D148-L151 PolarHBondContact O-N 3.12Å; D148-K152 WeakPolarHBondContact O-CG 3Å; D148-K152 PolarHBondContact O-N 2.91Å; D148-K152 IonicContact OD1-NZ 2.73Å; D148-K152 VanDerWaalsContact OD2-CE 3.3Å; D148-K152 WeakPolarHBondContact OD2-CE 3.3Å; D148-K152 IonicContact OD2-NZ 2.63Å; D148-K152 PolarHBondContact OD2-NZ 3.29Å
149L82.6Confident81.7Confident15 Ų1553.4 Ų53.48%0.07929%0.289CS..Hα-helixtrans-69.5-40.6178.5-65.8167.6000112.1A13 F17 E145 T147 L151 K152 L153A13-L149 HydrophobicContact CB-CD1 3.77Å; F17-L149 HydrophobicContact CB-CD2 4.22Å; F17-L149 HydrophobicContact CD1-CB 4.06Å; F17-L149 HydrophobicContact CD2-CB 3.62Å; F17-L149 HydrophobicContact CD2-CD1 3.61Å; F17-L149 HydrophobicContact CD2-CD2 3.67Å; F17-L149 HydrophobicContact CD2-CG 3.82Å; F17-L149 VanDerWaalsContact CE1-C 3.43Å; F17-L149 HydrophobicContact CE1-CB 3.6Å; F17-L149 WeakPolarHBondContact CE1-O 3.41Å; F17-L149 HydrophobicContact CE2-CB 3.3Å; F17-L149 HydrophobicContact CE2-CD1 3.53Å; F17-L149 HydrophobicContact CE2-CD2 4.24Å; F17-L149 HydrophobicContact CE2-CG 3.87Å; F17-L149 HydrophobicContact CG-CB 4.09Å; F17-L149 HydrophobicContact CG-CD2 3.94Å; F17-L149 HydrophobicContact CG-CG 4.44Å; F17-L149 HydrophobicContact CZ-CB 3.31Å; F17-L149 HydrophobicContact CZ-CD1 4.39Å; F17-L149 HydrophobicContact CZ-CG 4.35Å; E145-L149 HydrophobicContact CG-CD1 3.78Å; E145-L149 HydrophobicContact CG-CG 4.42Å; E145-L149 WeakPolarHBondContact O-CB 3.37Å; E145-L149 WeakPolarHBondContact O-CD1 3.42Å; E145-L149 WeakPolarHBondContact O-CG 3.07Å; E145-L149 PolarHBondContact O-N 3.27Å; T147-L149 VanDerWaalsContact C-N 3.33Å; T147-L149 PolarHBondContact O-N 2.91Å; L149-L151 VanDerWaalsContact C-N 3.34Å; L149-K152 PolarHBondContact O-N 2.88Å; L149-L153 PolarHBondContact O-N 3.28Å
150M80.8Confident81.6Confident2 Ų249.8 Ų49.81%0.0128%0.276CS..Hα-helixtrans-61.9-42.3175.4-72.5-74-88.300111.4F92 L123 L127 Y146 T147 L153 F154 L170F92-M150 HydrophobicContact CE1-SD 4.3Å; F92-M150 HydrophobicContact CZ-SD 3.98Å; L123-M150 HydrophobicContact CD2-CB 4.06Å; L127-M150 HydrophobicContact CD1-CG 4.35Å; L127-M150 HydrophobicContact CD2-CE 4.26Å; Y146-M150 VanDerWaalsContact O-CB 3.3Å; Y146-M150 WeakPolarHBondContact O-CB 3.13Å; Y146-M150 WeakPolarHBondContact O-CG 3.38Å; Y146-M150 PolarHBondContact O-N 3.18Å; T147-M150 PolarHBondContact O-N 3.39Å; M150-L153 PolarHBondContact O-N 3.46Å; M150-F154 HydrophobicContact CE-CE2 4.11Å; M150-F154 WeakPolarHBondContact O-CD2 3.33Å; M150-F154 PolarHBondContact O-N 3.36Å; M150-F154 HydrophobicContact SD-CD2 4.24Å; M150-F154 HydrophobicContact SD-CE2 3.72Å; M150-L170 HydrophobicContact CE-CD1 3.65Å; M150-L170 HydrophobicContact CE-CD2 4.1Å
151L83.1Confident81.6Confident16 Ų1648 Ų488%0.08426%0.264CS..Hα-helixtrans-56.7-56.6171.8-75.6166000109.8T120 L123 T147 D148 L149 L153 F154 D155 L162T120-L151 HydrophobicContact CG2-CD1 3.95Å; L123-L151 HydrophobicContact CD2-CD2 4.14Å; L123-L151 HydrophobicContact CD2-CG 3.86Å; T147-L151 HydrophobicContact CG2-CD1 4.29Å; T147-L151 WeakPolarHBondContact O-CG 3.5Å; T147-L151 PolarHBondContact O-N 3.06Å; D148-L151 PolarHBondContact O-N 3.12Å; L149-L151 VanDerWaalsContact C-N 3.34Å; L151-L153 PolarHBondContact O-N 3.09Å; L151-F154 PolarHBondContact O-N 3.34Å; L151-D155 HydrophobicContact CB-CB 4.5Å; L151-D155 HydrophobicContact CD2-CB 4.42Å; L151-D155 WeakPolarHBondContact O-CA 3.07Å; L151-D155 WeakPolarHBondContact O-CB 3.36Å; L151-D155 PolarHBondContact O-N 3.26Å; L151-L162 HydrophobicContact CD2-CD2 4Å; L151-L162 HydrophobicContact CD2-CG 3.89Å
152K80.4Confident81.4Confident117 Ų11743.1 Ų43.151%0.50923%0.234SC..Hα-helixtrans-54.8-23-177.9-76.4171.4179.6164.30116.3D148 L149D148-K152 WeakPolarHBondContact O-CG 3Å; D148-K152 PolarHBondContact O-N 2.91Å; D148-K152 IonicContact OD1-NZ 2.73Å; D148-K152 VanDerWaalsContact OD2-CE 3.3Å; D148-K152 WeakPolarHBondContact OD2-CE 3.3Å; D148-K152 IonicContact OD2-NZ 2.63Å; D148-K152 PolarHBondContact OD2-NZ 3.29Å; L149-K152 PolarHBondContact O-N 2.88Å
153L75.7Confident81.4Confident17 Ų1742.1 Ų42.19%0.08923%0.23CC..Hα-helixtrans-86.9-45.2174.4-76.1178.6000114.3F17 W20 L21 I75 L149 M150 L151F17-L153 HydrophobicContact CD1-CD1 3.34Å; F17-L153 HydrophobicContact CD1-CD2 3.48Å; F17-L153 VanDerWaalsContact CD1-CD2 3.48Å; F17-L153 HydrophobicContact CD1-CG 3.16Å; F17-L153 HydrophobicContact CE1-CB 4.29Å; F17-L153 HydrophobicContact CE1-CD1 2.9Å; F17-L153 HydrophobicContact CE1-CD2 4Å; F17-L153 HydrophobicContact CE1-CG 3.15Å; F17-L153 HydrophobicContact CG-CG 4.49Å; F17-L153 HydrophobicContact CZ-CD1 3.88Å; F17-L153 HydrophobicContact CZ-CG 4.44Å; W20-L153 HydrophobicContact CB-CD2 4.49Å; W20-L153 VanDerWaalsContact CD1-CD2 3.48Å; W20-L153 HydrophobicContact CG-CD2 4.1Å; L21-L153 HydrophobicContact CD2-CD2 4.3Å; L21-L153 HydrophobicContact CG-CD2 4.41Å; I75-L153 HydrophobicContact CD1-CD1 3.04Å; I75-L153 HydrophobicContact CD1-CD2 3.91Å; I75-L153 HydrophobicContact CD1-CG 4.1Å; L149-L153 PolarHBondContact O-N 3.28Å; M150-L153 PolarHBondContact O-N 3.46Å; L151-L153 PolarHBondContact O-N 3.09Å
154F76.1Confident81Confident6 Ų642 Ų423%0.02623%0.23CC..Hα-helixtrans-95.8-38.5-164.2-66.9-65.8000109.7I75 M150 L151 S156 L162 E166 R169 L170I75-F154 HydrophobicContact CG2-CE1 4.29Å; I75-F154 HydrophobicContact CG2-CZ 3.85Å; M150-F154 HydrophobicContact CE-CE2 4.11Å; M150-F154 WeakPolarHBondContact O-CD2 3.33Å; M150-F154 PolarHBondContact O-N 3.36Å; M150-F154 HydrophobicContact SD-CD2 4.24Å; M150-F154 HydrophobicContact SD-CE2 3.72Å; L151-F154 PolarHBondContact O-N 3.34Å; F154-S156 VanDerWaalsContact C-N 3.29Å; F154-S156 PolarHBondContact O-N 3.03Å; F154-S156 PolarHBondContact O-OG 3.23Å; F154-L162 HydrophobicContact CB-CD1 4.49Å; F154-L162 HydrophobicContact CB-CD2 3.54Å; F154-E166 HydrophobicContact CB-CB 4.26Å; F154-E166 VanDerWaalsContact CD1-O 3.27Å; F154-E166 WeakPolarHBondContact CD1-O 3.43Å; F154-E166 VanDerWaalsContact O-CB 3.24Å; F154-E166 WeakPolarHBondContact O-CB 3.48Å; F154-E166 WeakPolarHBondContact O-CG 3.42Å; F154-R169 HydrophobicContact CD1-CB 3.93Å; F154-R169 HydrophobicContact CE1-CB 3.73Å; F154-L170 HydrophobicContact CE1-CD2 4.07Å; F154-L170 HydrophobicContact CE1-CG 3.96Å; F154-L170 HydrophobicContact CE2-CD1 4.24Å; F154-L170 HydrophobicContact CE2-CD2 3.55Å; F154-L170 HydrophobicContact CE2-CG 3.86Å; F154-L170 HydrophobicContact CZ-CD1 4.39Å; F154-L170 HydrophobicContact CZ-CD2 3.2Å; F154-L170 HydrophobicContact CZ-CG 3.53Å
155D82.5Confident80.5Confident11 Ų1140.4 Ų40.46%0.05922%0.215CC..  trans-65.885.3173.4-175.60.4000109.8L151 N157 N158 D159 G160 L162L151-D155 HydrophobicContact CB-CB 4.5Å; L151-D155 HydrophobicContact CD2-CB 4.42Å; L151-D155 WeakPolarHBondContact O-CA 3.07Å; L151-D155 WeakPolarHBondContact O-CB 3.36Å; L151-D155 PolarHBondContact O-N 3.26Å; D155-N157 PolarHBondContact OD1-OD1 3.12Å; D155-N158 VanDerWaalsContact CG-CA 3.48Å; D155-N158 WeakPolarHBondContact OD1-CA 3.27Å; D155-N158 PolarHBondContact OD1-N 3.49Å; D155-N158 WeakPolarHBondContact OD2-CA 3.22Å; D155-D159 PolarHBondContact OD1-N 2.73Å; D155-D159 PolarHBondContact OD2-N 3.46Å; D155-G160 VanDerWaalsContact OD2-CA 3.26Å; D155-G160 WeakPolarHBondContact OD2-CA 3.24Å; D155-G160 PolarHBondContact OD2-N 3.29Å; D155-L162 HydrophobicContact CB-CD2 3.96Å
156S72.9Confident80.1Confident68 Ų6837.5 Ų37.548%0.47620%0.202SC..SBendtrans-81.3-27.1-175.7-53.50000110.9F154 N158 E166 R169F154-S156 VanDerWaalsContact C-N 3.29Å; F154-S156 PolarHBondContact O-N 3.03Å; F154-S156 PolarHBondContact O-OG 3.23Å; S156-N158 VanDerWaalsContact C-N 3.32Å; S156-E166 PolarHBondContact N-OE1 3.3Å; S156-R169 PolarHBondContact OG-NH1 3.19Å
157N76.4Confident79.7Confident75 Ų7537.8 Ų37.840%0.40120%0.203SC..SBendtrans-85.6-10.2177.874.912.7000111.9D155 D159 E163D155-N157 PolarHBondContact OD1-OD1 3.12Å; N157-D159 VanDerWaalsContact C-N 3.28Å; N157-D159 PolarHBondContact ND2-OD2 3.06Å; N157-D159 PolarHBondContact O-N 2.84Å; N157-D159 WeakPolarHBondContact OD1-CB 3.18Å; N157-D159 PolarHBondContact OD1-N 3.14Å; N157-D159 PolarHBondContact OD1-OD1 3.44Å; N157-D159 PolarHBondContact OD1-OD2 3.38Å; N157-E163 PolarHBondContact ND2-OE1 3.39Å; N157-E163 VanDerWaalsContact ND2-OE1 3.07Å
158N77.6Confident79Confident135 Ų13537.6 Ų37.672%0.72220%0.202SC*.  trans56.439.2-179.6-165.757.4000112.4D155 S156D155-N158 VanDerWaalsContact CG-CA 3.48Å; D155-N158 WeakPolarHBondContact OD1-CA 3.27Å; D155-N158 PolarHBondContact OD1-N 3.49Å; D155-N158 WeakPolarHBondContact OD2-CA 3.22Å; S156-N158 VanDerWaalsContact C-N 3.32Å
159D80.8Confident78.3Confident73 Ų7335.6 Ų35.639%0.3919%0.189SC..SBendtrans-88.5-4.5179.376.38.5000113.5D155 N157 K161D155-D159 PolarHBondContact OD1-N 2.73Å; D155-D159 PolarHBondContact OD2-N 3.46Å; N157-D159 VanDerWaalsContact C-N 3.28Å; N157-D159 PolarHBondContact ND2-OD2 3.06Å; N157-D159 PolarHBondContact O-N 2.84Å; N157-D159 WeakPolarHBondContact OD1-CB 3.18Å; N157-D159 PolarHBondContact OD1-N 3.14Å; N157-D159 PolarHBondContact OD1-OD1 3.44Å; N157-D159 PolarHBondContact OD1-OD2 3.38Å; D159-K161 VanDerWaalsContact C-N 3.3Å; D159-K161 VanDerWaalsContact OD1-CA 3.28Å; D159-K161 WeakPolarHBondContact OD1-CA 3.44Å; D159-K161 VanDerWaalsContact OD1-CB 3.22Å; D159-K161 WeakPolarHBondContact OD1-CB 3.32Å; D159-K161 PolarHBondContact OD1-N 3.27Å; D159-K161 VanDerWaalsContact OD1-O 3.09Å
160G80.4Confident77.6Confident28 Ų2835.4 Ų35.429%0.28919%0.187SC..SBendtrans80.78.9-179.100000114T120 D155T120-G160 PolarHBondContact OG1-O 3.49Å; D155-G160 VanDerWaalsContact OD2-CA 3.26Å; D155-G160 WeakPolarHBondContact OD2-CA 3.24Å; D155-G160 PolarHBondContact OD2-N 3.29Å
161K84.3Confident76.9Confident68 Ų6835.5 Ų35.530%0.29619%0.188SC..EExtended strand (participates in β ladder)trans-126157.8178.8-45.7-172.5175.8-1510108.9F117 E119 D159F117-K161 HydrophobicContact CB-CB 4.01Å; F117-K161 HydrophobicContact CB-CD 4.04Å; F117-K161 HydrophobicContact CG-CD 4.35Å; E119-K161 HydrophobicContact CG-CD 4.11Å; E119-K161 HydrophobicContact CG-CG 4.33Å; E119-K161 IonicContact OE1-NZ 3.66Å; E119-K161 PolarHBondContact OE1-NZ 2.87Å; D159-K161 VanDerWaalsContact C-N 3.3Å; D159-K161 VanDerWaalsContact OD1-CA 3.28Å; D159-K161 WeakPolarHBondContact OD1-CA 3.44Å; D159-K161 VanDerWaalsContact OD1-CB 3.22Å; D159-K161 WeakPolarHBondContact OD1-CB 3.32Å; D159-K161 PolarHBondContact OD1-N 3.27Å; D159-K161 VanDerWaalsContact OD1-O 3.09Å
162L82.1Confident76Confident0 Ų037.7 Ų37.70%020%0.203CC..EExtended strand (participates in β ladder)trans-104.7128.6172.1-65.7-176.7000109.3W107 F117 I118 L123 L151 F154 D155W107-L162 WeakPolarHBondContact CH2-O 3.34Å; F117-L162 CarbonylContact C-O 3.58Å; F117-L162 VanDerWaalsContact CA-O 3.31Å; F117-L162 WeakPolarHBondContact CA-O 3.49Å; I118-L162 HydrophobicContact CB-CB 4.34Å; I118-L162 PolarHBondContact N-O 3.48Å; I118-L162 PolarHBondContact O-N 3.35Å; L123-L162 HydrophobicContact CD1-CD1 3.91Å; L123-L162 HydrophobicContact CD2-CD1 3.66Å; L123-L162 HydrophobicContact CD2-CG 4.35Å; L123-L162 HydrophobicContact CG-CD1 4.39Å; L151-L162 HydrophobicContact CD2-CD2 4Å; L151-L162 HydrophobicContact CD2-CG 3.89Å; F154-L162 HydrophobicContact CB-CD1 4.49Å; F154-L162 HydrophobicContact CB-CD2 3.54Å; D155-L162 HydrophobicContact CB-CD2 3.96Å
163E81.4Confident75.1Confident55 Ų5534.9 Ų34.926%0.25720%0.196SC..EExtended strand (participates in β ladder)trans-82.1156.9167.7-52.7-169.2-171.700111W107 F117 N157 T165 E166 M167W107-E163 WeakPolarHBondContact CH2-O 3.37Å; F117-E163 HydrophobicContact CD1-CB 4.48Å; F117-E163 HydrophobicContact CD1-CG 3.75Å; F117-E163 HydrophobicContact CE1-CG 3.65Å; N157-E163 PolarHBondContact ND2-OE1 3.39Å; N157-E163 VanDerWaalsContact ND2-OE1 3.07Å; E163-T165 PolarHBondContact O-N 3.01Å; E163-E166 HydrophobicContact CB-CB 4.39Å; E163-E166 HydrophobicContact CB-CG 4.03Å; E163-E166 HydrophobicContact CG-CG 4.44Å; E163-E166 PolarHBondContact N-OE2 3.39Å; E163-E166 WeakPolarHBondContact O-CB 3.45Å; E163-E166 PolarHBondContact O-N 3Å; E163-M167 PolarHBondContact O-N 3.31Å
164L78Confident74.3Confident3 Ų342.8 Ų42.82%0.01623%0.232CC..Hα-helixtrans-55.6-40.5177.4-175.267.5000111.9F103 M104 W107 E166 A168 L178 L241 L254 I255F103-L164 HydrophobicContact CE1-CD1 3.76Å; F103-L164 HydrophobicContact CZ-CD1 4.47Å; M104-L164 HydrophobicContact CE-CD1 4.46Å; M104-L164 HydrophobicContact CE-CD2 3.91Å; M104-L164 HydrophobicContact CE-CG 4.49Å; M104-L164 HydrophobicContact SD-CD1 3.7Å; M104-L164 HydrophobicContact SD-CD2 4.01Å; M104-L164 HydrophobicContact SD-CG 4.32Å; W107-L164 HydrophobicContact CB-CD1 4.35Å; W107-L164 HydrophobicContact CD2-CD1 3.5Å; W107-L164 HydrophobicContact CE3-CD1 3.9Å; W107-L164 HydrophobicContact CG-CD1 3.7Å; W107-L164 HydrophobicContact CH2-CB 4.32Å; W107-L164 VanDerWaalsContact CH2-N 3.3Å; W107-L164 HydrophobicContact CZ2-CB 3.97Å; W107-L164 HydrophobicContact CZ2-CD1 4.29Å; W107-L164 HydrophobicContact CZ3-CD1 4.44Å; L164-E166 VanDerWaalsContact C-N 3.31Å; L164-E166 PolarHBondContact O-N 3.15Å; L164-A168 VanDerWaalsContact O-CB 3.23Å; L164-A168 WeakPolarHBondContact O-CB 3.39Å; L164-A168 PolarHBondContact O-N 3Å; L164-L178 HydrophobicContact CD2-CD2 4.17Å; L164-L178 HydrophobicContact CG-CD1 4.11Å; L164-L178 HydrophobicContact CG-CD2 4.48Å; L164-L241 HydrophobicContact CD2-CD1 3.97Å; L164-L254 HydrophobicContact CB-CB 4.3Å; L164-L254 HydrophobicContact CD2-CB 3.63Å; L164-L254 HydrophobicContact CD2-CD1 4.29Å; L164-I255 HydrophobicContact CD2-CG1 4.11Å
165T74.4Confident73.6Confident10 Ų1047.2 Ų47.26%0.06125%0.253CS..Hα-helixtrans-68.5-27.5177.532.70000114.1E163 Q182 K185E163-T165 PolarHBondContact O-N 3.01Å; T165-Q182 HydrophobicContact CG2-CG 3.8Å; T165-K185 PolarHBondContact OG1-NZ 2.79Å
166E78.7Confident73Confident10 Ų1046.9 Ų46.95%0.04725%0.251CS..Hα-helixtrans-77.2-49.6178.7-69.7178.8144.700110.1F154 S156 E163 L164 A168 R169F154-E166 HydrophobicContact CB-CB 4.26Å; F154-E166 VanDerWaalsContact CD1-O 3.27Å; F154-E166 WeakPolarHBondContact CD1-O 3.43Å; F154-E166 VanDerWaalsContact O-CB 3.24Å; F154-E166 WeakPolarHBondContact O-CB 3.48Å; F154-E166 WeakPolarHBondContact O-CG 3.42Å; S156-E166 PolarHBondContact N-OE1 3.3Å; E163-E166 HydrophobicContact CB-CB 4.39Å; E163-E166 HydrophobicContact CB-CG 4.03Å; E163-E166 HydrophobicContact CG-CG 4.44Å; E163-E166 PolarHBondContact N-OE2 3.39Å; E163-E166 WeakPolarHBondContact O-CB 3.45Å; E163-E166 PolarHBondContact O-N 3Å; L164-E166 VanDerWaalsContact C-N 3.31Å; L164-E166 PolarHBondContact O-N 3.15Å; E166-A168 PolarHBondContact O-N 3.29Å; E166-R169 VanDerWaalsContact O-CB 3.32Å; E166-R169 WeakPolarHBondContact O-CB 3.21Å; E166-R169 WeakPolarHBondContact O-CG 3.23Å; E166-R169 PolarHBondContact O-N 3.47Å; E166-R169 VanDerWaalsContact O-N 3.12Å
167M73.9Confident73.1Confident5 Ų543.9 Ų43.93%0.02523%0.23CC..Hα-helixtrans-70.1-23.6177.4-162.9-178.5-175.100112.1F103 W107 F126 E163 R169 L170F103-M167 HydrophobicContact CE2-CB 4.37Å; F103-M167 HydrophobicContact CE2-CE 4.3Å; F103-M167 HydrophobicContact CE2-CG 3.76Å; F103-M167 HydrophobicContact CE2-SD 3.96Å; F103-M167 HydrophobicContact CZ-CB 3.89Å; F103-M167 HydrophobicContact CZ-CG 3.79Å; F103-M167 HydrophobicContact CZ-SD 4.11Å; W107-M167 HydrophobicContact CE3-CB 4.23Å; W107-M167 HydrophobicContact CE3-CG 4.43Å; W107-M167 HydrophobicContact CE3-SD 3.51Å; W107-M167 VanDerWaalsContact CE3-SD 3.51Å; W107-M167 HydrophobicContact CH2-CB 4.33Å; W107-M167 HydrophobicContact CZ3-CB 3.47Å; W107-M167 VanDerWaalsContact CZ3-CB 3.47Å; W107-M167 HydrophobicContact CZ3-CG 3.98Å; W107-M167 HydrophobicContact CZ3-SD 3.33Å; W107-M167 WeakPolarHBondContact CZ3-SD 3.38Å; F126-M167 HydrophobicContact CD1-CE 3.74Å; F126-M167 HydrophobicContact CE1-CE 3.29Å; F126-M167 HydrophobicContact CE2-CE 4.14Å; F126-M167 HydrophobicContact CG-CE 4.33Å; F126-M167 HydrophobicContact CZ-CE 3.52Å; E163-M167 PolarHBondContact O-N 3.31Å; M167-R169 PolarHBondContact O-N 2.89Å; M167-R169 VanDerWaalsContact O-N 3.13Å; M167-L170 HydrophobicContact CE-CD1 4.15Å; M167-L170 HydrophobicContact CG-CD1 3.71Å; M167-L170 VanDerWaalsContact O-CB 3.27Å; M167-L170 WeakPolarHBondContact O-CB 3.25Å; M167-L170 PolarHBondContact O-N 3.19Å
168A71.9Confident73Confident0 Ų040.4 Ų40.40%021%0.211CC..G310 helixtrans-55.4-27.6170.500000112.9L164 E166 L170 L171 N176 L178L164-A168 VanDerWaalsContact O-CB 3.23Å; L164-A168 WeakPolarHBondContact O-CB 3.39Å; L164-A168 PolarHBondContact O-N 3Å; E166-A168 PolarHBondContact O-N 3.29Å; A168-L170 PolarHBondContact O-N 3.4Å; A168-L170 VanDerWaalsContact O-N 3.12Å; A168-L171 VanDerWaalsContact O-CB 3.23Å; A168-L171 WeakPolarHBondContact O-CB 3.49Å; A168-L171 PolarHBondContact O-N 3.38Å; A168-N176 PolarHBondContact O-ND2 2.83Å; A168-L178 HydrophobicContact CB-CB 3.73Å; A168-L178 HydrophobicContact CB-CD1 3.4Å; A168-L178 HydrophobicContact CB-CG 4.19Å
169R69.5Low72.9Confident34 Ų3435.8 Ų35.813%0.12819%0.186CC..G310 helixtrans-62.3-17.8177.6-64.2178.7177.8152.21.9113F154 S156 E166 M167 L171F154-R169 HydrophobicContact CD1-CB 3.93Å; F154-R169 HydrophobicContact CE1-CB 3.73Å; S156-R169 PolarHBondContact OG-NH1 3.19Å; E166-R169 VanDerWaalsContact O-CB 3.32Å; E166-R169 WeakPolarHBondContact O-CB 3.21Å; E166-R169 WeakPolarHBondContact O-CG 3.23Å; E166-R169 PolarHBondContact O-N 3.47Å; E166-R169 VanDerWaalsContact O-N 3.12Å; M167-R169 PolarHBondContact O-N 2.89Å; M167-R169 VanDerWaalsContact O-N 3.13Å; R169-L171 PolarHBondContact O-N 3.28Å
170L67.7Low72.6Confident10 Ų1036.4 Ų36.45%0.05219%0.185CC..G310 helixtrans-70.7-19.4169.6-68.7169.1000113.1V76 F92 L97 M150 F154 M167 A168V76-L170 WeakPolarHBondContact CG2-O 3.48Å; F92-L170 HydrophobicContact CD1-CD2 3.58Å; F92-L170 HydrophobicContact CE1-CD2 3.46Å; F92-L170 VanDerWaalsContact CE1-CD2 3.46Å; L97-L170 HydrophobicContact CD1-CB 4.49Å; M150-L170 HydrophobicContact CE-CD1 3.65Å; M150-L170 HydrophobicContact CE-CD2 4.1Å; F154-L170 HydrophobicContact CE1-CD2 4.07Å; F154-L170 HydrophobicContact CE1-CG 3.96Å; F154-L170 HydrophobicContact CE2-CD1 4.24Å; F154-L170 HydrophobicContact CE2-CD2 3.55Å; F154-L170 HydrophobicContact CE2-CG 3.86Å; F154-L170 HydrophobicContact CZ-CD1 4.39Å; F154-L170 HydrophobicContact CZ-CD2 3.2Å; F154-L170 HydrophobicContact CZ-CG 3.53Å; M167-L170 HydrophobicContact CE-CD1 4.15Å; M167-L170 HydrophobicContact CG-CD1 3.71Å; M167-L170 VanDerWaalsContact O-CB 3.27Å; M167-L170 WeakPolarHBondContact O-CB 3.25Å; M167-L170 PolarHBondContact O-N 3.19Å; A168-L170 PolarHBondContact O-N 3.4Å; A168-L170 VanDerWaalsContact O-N 3.12Å
171L67.1Low72.4Confident5 Ų535.1 Ų35.13%0.02617%0.172CC..SBendtrans-76.2142.6177.6-62.5174.9000110.7L97 C100 F103 A168 R169 V173 N176L97-L171 HydrophobicContact CB-CD2 4.08Å; C100-L171 HydrophobicContact CB-CD1 4.13Å; C100-L171 WeakPolarHBondContact SG-CD1 3.49Å; F103-L171 HydrophobicContact CB-CD1 4.31Å; F103-L171 HydrophobicContact CB-CD2 3.76Å; F103-L171 HydrophobicContact CD1-CD1 3.87Å; F103-L171 HydrophobicContact CD1-CG 4.46Å; F103-L171 HydrophobicContact CD2-CD2 4Å; F103-L171 HydrophobicContact CD2-CG 4.35Å; F103-L171 HydrophobicContact CE1-CD1 4.34Å; F103-L171 HydrophobicContact CG-CD1 4.01Å; F103-L171 HydrophobicContact CG-CD2 3.85Å; F103-L171 HydrophobicContact CG-CG 4.2Å; A168-L171 VanDerWaalsContact O-CB 3.23Å; A168-L171 WeakPolarHBondContact O-CB 3.49Å; A168-L171 PolarHBondContact O-N 3.38Å; R169-L171 PolarHBondContact O-N 3.28Å; L171-V173 PolarHBondContact O-N 3.27Å; L171-N176 HydrophobicContact CB-CB 4.24Å
172P64.4Low71.9Confident61 Ų6135.6 Ų35.640%0.39618%0.175SC..  trans-51.7131.6172-2432.8000111Q174 E175 N176P172-Q174 PolarHBondContact O-N 3.13Å; P172-E175 PolarHBondContact O-N 3.48Å; P172-N176 WeakPolarHBondContact O-CB 3.38Å; P172-N176 PolarHBondContact O-N 3.39Å; P172-N176 VanDerWaalsContact O-N 3.13Å
173V61Low71.4Confident59 Ų5937.9 Ų37.936%0.35820%0.198SC..THydrogen-bonded Turntrans-51.7-33.6-176.3-177.10000112.4Y30 L171 E175 N176Y30-V173 HydrophobicContact CD1-CG2 4.29Å; Y30-V173 HydrophobicContact CE1-CG2 3.74Å; L171-V173 PolarHBondContact O-N 3.27Å; V173-E175 VanDerWaalsContact C-N 3.31Å; V173-E175 PolarHBondContact O-N 2.95Å; V173-N176 PolarHBondContact O-N 3Å
174Q58.5Low71.1Confident182 Ų18235.7 Ų35.785%0.8519%0.188SC*.THydrogen-bonded Turntrans-65-31.3-178.6-63.1165.311.400113.3P172P172-Q174 PolarHBondContact O-N 3.13Å
175E63.1Low71.1Confident99 Ų9938.1 Ų38.146%0.46320%0.199SC..THydrogen-bonded Turntrans-109.1-1.5-178.3-63.4-159.6-179.700113.5S99 P172 V173 F177S99-E175 WeakPolarHBondContact CA-OE2 3.21Å; P172-E175 PolarHBondContact O-N 3.48Å; V173-E175 VanDerWaalsContact C-N 3.31Å; V173-E175 PolarHBondContact O-N 2.95Å; E175-F177 VanDerWaalsContact C-N 3.34Å; E175-F177 PolarHBondContact O-N 2.95Å
176N68.8Low71.5Confident4 Ų439.1 Ų39.12%0.02120%0.203CC..  trans-79.279.8-173.6-164.5-12.4000111.7A168 L171 P172 V173 L178 L179A168-N176 PolarHBondContact O-ND2 2.83Å; L171-N176 HydrophobicContact CB-CB 4.24Å; P172-N176 WeakPolarHBondContact O-CB 3.38Å; P172-N176 PolarHBondContact O-N 3.39Å; P172-N176 VanDerWaalsContact O-N 3.13Å; V173-N176 PolarHBondContact O-N 3Å; N176-L178 PolarHBondContact O-N 2.95Å; N176-L178 PolarHBondContact OD1-N 2.94Å; N176-L179 HydrophobicContact CB-CD1 3.92Å; N176-L179 HydrophobicContact CB-CG 4.23Å; N176-L179 WeakPolarHBondContact ND2-CD1 3.38Å; N176-L179 WeakPolarHBondContact ND2-CG 3.39Å; N176-L179 PolarHBondContact O-N 2.9Å
177F75.4Confident71.6Confident6 Ų641.4 Ų41.43%0.02622%0.22CC..Hα-helixtrans-64.5-26177.689.6-87000112.2C100 M104 E175 L179 K180 F181 Y234 N237 I238 I255C100-F177 HydrophobicContact CB-CD1 4.04Å; C100-F177 HydrophobicContact CB-CE1 4.28Å; C100-F177 WeakPolarHBondContact SG-CD1 3.34Å; C100-F177 WeakPolarHBondContact SG-CE1 3.47Å; M104-F177 HydrophobicContact CE-CE1 3.55Å; M104-F177 HydrophobicContact CE-CZ 3.47Å; M104-F177 VanDerWaalsContact CE-CZ 3.47Å; E175-F177 VanDerWaalsContact C-N 3.34Å; E175-F177 PolarHBondContact O-N 2.95Å; F177-L179 VanDerWaalsContact C-N 3.26Å; F177-L179 PolarHBondContact O-N 3.41Å; F177-K180 WeakPolarHBondContact O-CB 3.41Å; F177-K180 PolarHBondContact O-N 3.48Å; F177-F181 AromaticContact CD2-CD2 3.5Å; F177-F181 HydrophobicContact CD2-CD2 3.5Å; F177-F181 VanDerWaalsContact CD2-CD2 3.5Å; F177-F181 AromaticContact CD2-CE2 3.54Å; F177-F181 HydrophobicContact CD2-CE2 3.54Å; F177-F181 HydrophobicContact CD2-CG 4.22Å; F177-F181 HydrophobicContact CD2-CZ 4.31Å; F177-F181 HydrophobicContact CE2-CD2 4.05Å; F177-F181 HydrophobicContact CE2-CE2 4.11Å; F177-F181 HydrophobicContact CE2-CG 4.36Å; F177-F181 HydrophobicContact CE2-CZ 4.5Å; F177-F181 VanDerWaalsContact O-CD2 3.31Å; F177-F181 WeakPolarHBondContact O-CD2 3.41Å; F177-F181 PolarHBondContact O-N 3.28Å; F177-Y234 HydrophobicContact CB-CD1 4.02Å; F177-Y234 HydrophobicContact CB-CE1 3.99Å; F177-Y234 HydrophobicContact CD2-CD1 4.29Å; F177-Y234 HydrophobicContact CG-CD1 4.38Å; F177-N237 HydrophobicContact CD1-CB 3.8Å; F177-N237 VanDerWaalsContact CD1-ND2 3.33Å; F177-N237 WeakPolarHBondContact CD1-ND2 3.1Å; F177-N237 HydrophobicContact CE1-CB 3.38Å; F177-N237 HydrophobicContact CZ-CB 3.88Å; F177-I238 HydrophobicContact CE2-CG1 4Å; F177-I238 HydrophobicContact CZ-CG1 4.07Å; F177-I255 HydrophobicContact CE2-CG2 4.13Å
178L74.5Confident71.9Confident1 Ų141.3 Ų41.31%0.00522%0.22CC..Hα-helixtrans-62.8-33.3-177.4-69.3165000112.2F103 M104 L164 A168 N176 K180 F181 Q182 I255F103-L178 HydrophobicContact CE1-CD1 4.36Å; M104-L178 HydrophobicContact CE-CD1 3.69Å; M104-L178 HydrophobicContact CE-CD2 3.64Å; M104-L178 HydrophobicContact CE-CG 3.98Å; M104-L178 HydrophobicContact SD-CD1 4.46Å; L164-L178 HydrophobicContact CD2-CD2 4.17Å; L164-L178 HydrophobicContact CG-CD1 4.11Å; L164-L178 HydrophobicContact CG-CD2 4.48Å; A168-L178 HydrophobicContact CB-CB 3.73Å; A168-L178 HydrophobicContact CB-CD1 3.4Å; A168-L178 HydrophobicContact CB-CG 4.19Å; N176-L178 PolarHBondContact O-N 2.95Å; N176-L178 PolarHBondContact OD1-N 2.94Å; L178-K180 VanDerWaalsContact C-N 3.32Å; L178-K180 PolarHBondContact O-N 3.17Å; L178-F181 PolarHBondContact O-N 2.89Å; L178-F181 VanDerWaalsContact O-N 3.14Å; L178-Q182 PolarHBondContact O-N 3.26Å; L178-I255 HydrophobicContact CD2-CG1 4.11Å; L178-I255 HydrophobicContact CD2-CG2 4.43Å
179L73.9Confident72.4Confident38 Ų3849 Ų4920%0.19925%0.253CS..Hα-helixtrans-61.3-39.8172.2-64.3172.1000112.4Y30 N176 F177 F181 Q182Y30-L179 HydrophobicContact CE2-CD1 4.29Å; Y30-L179 HydrophobicContact CE2-CD2 4.01Å; Y30-L179 WeakPolarHBondContact OH-CD1 3.49Å; Y30-L179 WeakPolarHBondContact OH-CD2 3.05Å; N176-L179 HydrophobicContact CB-CD1 3.92Å; N176-L179 HydrophobicContact CB-CG 4.23Å; N176-L179 WeakPolarHBondContact ND2-CD1 3.38Å; N176-L179 WeakPolarHBondContact ND2-CG 3.39Å; N176-L179 PolarHBondContact O-N 2.9Å; F177-L179 VanDerWaalsContact C-N 3.26Å; F177-L179 PolarHBondContact O-N 3.41Å; L179-F181 PolarHBondContact O-N 3.04Å; L179-Q182 WeakPolarHBondContact O-CB 2.9Å; L179-Q182 PolarHBondContact O-N 2.94Å
180K74.6Confident73.1Confident87 Ų8752.9 Ų52.938%0.37827%0.273SS..Hα-helixtrans-68.2-27.7177.1-56.2-176.6-177.8-177.30111.9F177 L178 I184 L226F177-K180 WeakPolarHBondContact O-CB 3.41Å; F177-K180 PolarHBondContact O-N 3.48Å; L178-K180 VanDerWaalsContact C-N 3.32Å; L178-K180 PolarHBondContact O-N 3.17Å; K180-I184 WeakPolarHBondContact O-CD1 3.47Å; K180-I184 WeakPolarHBondContact O-CG1 3.34Å; K180-L226 HydrophobicContact CB-CD2 4.37Å
181F76.3Confident74.1Confident1 Ų152.7 Ų52.70%0.00427%0.272CS..Hα-helixtrans-83.4-17.6178.5-82.3-109.9000112.2F177 L178 L179 G183 I184 K185 L215 L218 L226 Y234 I238 I255 L256F177-F181 AromaticContact CD2-CD2 3.5Å; F177-F181 HydrophobicContact CD2-CD2 3.5Å; F177-F181 VanDerWaalsContact CD2-CD2 3.5Å; F177-F181 AromaticContact CD2-CE2 3.54Å; F177-F181 HydrophobicContact CD2-CE2 3.54Å; F177-F181 HydrophobicContact CD2-CG 4.22Å; F177-F181 HydrophobicContact CD2-CZ 4.31Å; F177-F181 HydrophobicContact CE2-CD2 4.05Å; F177-F181 HydrophobicContact CE2-CE2 4.11Å; F177-F181 HydrophobicContact CE2-CG 4.36Å; F177-F181 HydrophobicContact CE2-CZ 4.5Å; F177-F181 VanDerWaalsContact O-CD2 3.31Å; F177-F181 WeakPolarHBondContact O-CD2 3.41Å; F177-F181 PolarHBondContact O-N 3.28Å; L178-F181 PolarHBondContact O-N 2.89Å; L178-F181 VanDerWaalsContact O-N 3.14Å; L179-F181 PolarHBondContact O-N 3.04Å; F181-G183 VanDerWaalsContact C-N 3.3Å; F181-G183 PolarHBondContact O-N 2.96Å; F181-I184 CarbonylContact O-C 3.24Å; F181-I184 PolarHBondContact O-N 2.79Å; F181-K185 PolarHBondContact O-N 3Å; F181-L215 HydrophobicContact CE1-CD2 4.19Å; F181-L215 HydrophobicContact CZ-CD2 3.98Å; F181-L218 HydrophobicContact CE1-CD1 4.5Å; F181-L226 HydrophobicContact CD2-CD2 3.93Å; F181-L226 HydrophobicContact CE2-CD2 3.49Å; F181-L226 VanDerWaalsContact CE2-CD2 3.49Å; F181-L226 HydrophobicContact CZ-CD1 4.24Å; F181-L226 HydrophobicContact CZ-CD2 4Å; F181-Y234 HydrophobicContact CE2-CD1 4.05Å; F181-Y234 HydrophobicContact CE2-CD2 4.21Å; F181-Y234 HydrophobicContact CE2-CE1 4.34Å; F181-Y234 HydrophobicContact CE2-CE2 4.48Å; F181-Y234 AromaticContact CE2-CG 3.99Å; F181-Y234 HydrophobicContact CE2-CG 3.99Å; F181-Y234 HydrophobicContact CZ-CD2 4.24Å; F181-Y234 HydrophobicContact CZ-CG 4.11Å; F181-I238 HydrophobicContact CE1-CD1 4.23Å; F181-I238 HydrophobicContact CZ-CD1 4.39Å; F181-I255 HydrophobicContact CB-CG2 4.06Å; F181-I255 HydrophobicContact CD1-CG2 3.47Å; F181-I255 VanDerWaalsContact CD1-CG2 3.47Å; F181-I255 HydrophobicContact CE1-CG2 4.11Å; F181-I255 HydrophobicContact CG-CG2 3.91Å; F181-L256 HydrophobicContact CD1-CD2 3.62Å; F181-L256 HydrophobicContact CE1-CD2 3.82Å
182Q74.1Confident75Confident77 Ų7755 Ų5536%0.3628%0.284SS..Hα-helixtrans-59-39.2172.7-73.7176.7-9.400112.5T165 L178 L179 I184T165-Q182 HydrophobicContact CG2-CG 3.8Å; L178-Q182 PolarHBondContact O-N 3.26Å; L179-Q182 WeakPolarHBondContact O-CB 2.9Å; L179-Q182 PolarHBondContact O-N 2.94Å; Q182-I184 PolarHBondContact O-N 3.39Å
183G71.4Confident76Confident48 Ų4859.4 Ų59.450%0.49530%0.297SS..THydrogen-bonded Turntrans-74-5.2175.300000114.6F181 E225F181-G183 VanDerWaalsContact C-N 3.3Å; F181-G183 PolarHBondContact O-N 2.96Å; G183-E225 WeakPolarHBondContact CA-OE2 3.27Å
184I76.3Confident77.3Confident9 Ų957.5 Ų57.55%0.04629%0.287CS..THydrogen-bonded Turntrans-115.7-10.1-173.3-53.1174.7000111.3K180 F181 Q182 M186 L218 N222 E225 L226K180-I184 WeakPolarHBondContact O-CD1 3.47Å; K180-I184 WeakPolarHBondContact O-CG1 3.34Å; F181-I184 CarbonylContact O-C 3.24Å; F181-I184 PolarHBondContact O-N 2.79Å; Q182-I184 PolarHBondContact O-N 3.39Å; I184-M186 PolarHBondContact O-N 3.27Å; I184-M186 VanDerWaalsContact O-N 3.17Å; I184-L218 HydrophobicContact CG2-CD2 4.09Å; I184-N222 HydrophobicContact CD1-CB 4.04Å; I184-N222 HydrophobicContact CG1-CB 4.11Å; I184-N222 HydrophobicContact CG2-CB 4.44Å; I184-E225 HydrophobicContact CD1-CB 4.1Å; I184-E225 HydrophobicContact CG1-CB 4.34Å; I184-L226 HydrophobicContact CD1-CD1 3.44Å; I184-L226 VanDerWaalsContact CD1-CD1 3.44Å; I184-L226 HydrophobicContact CD1-CD2 3.37Å; I184-L226 HydrophobicContact CD1-CG 3.18Å
185K78.7Confident78.6Confident54 Ų5448.9 Ų48.924%0.23525%0.247CC..PPolyproline II helixtrans-50.1124175.5-79.8179.7164.6-162.80109.6T165 F181 L256 S257 A258T165-K185 PolarHBondContact OG1-NZ 2.79Å; F181-K185 PolarHBondContact O-N 3Å; K185-L256 WeakPolarHBondContact CA-O 3.26Å; K185-S257 WeakPolarHBondContact CE-O 3.25Å; K185-A258 HydrophobicContact CB-CB 4.03Å
186M80.8Confident79.9Confident31 Ų3149.9 Ų49.915%0.15325%0.252CS..BIsolated β-bridgetrans-101.4159.4177.866.2-173.774.900110.2I184 E190 F191 A194 L218 L256 A258I184-M186 PolarHBondContact O-N 3.27Å; I184-M186 VanDerWaalsContact O-N 3.17Å; M186-E190 HydrophobicContact CB-CB 4.05Å; M186-E190 HydrophobicContact CG-CB 4.15Å; M186-E190 HydrophobicContact SD-CB 4.12Å; M186-F191 HydrophobicContact CG-CB 3.77Å; M186-F191 WeakPolarHBondContact SD-CA 3.29Å; M186-F191 HydrophobicContact SD-CB 4.1Å; M186-F191 PolarHBondContact SD-N 2.93Å; M186-F191 VanDerWaalsContact SD-N 3.45Å; M186-A194 HydrophobicContact SD-CB 4.11Å; M186-L218 HydrophobicContact CE-CD2 3.76Å; M186-L256 WeakPolarHBondContact CG-O 3.4Å; M186-L256 PolarHBondContact N-O 2.63Å; M186-A258 PolarHBondContact O-N 2.84Å
187C81.5Confident80.8Confident59 Ų5955.3 Ų55.340%0.39928%0.28SS..PPolyproline II helixtrans-64.6152.1178.1690000110.8K189 E190 F191C187-K189 PolarHBondContact O-N 3.17Å; C187-E190 PolarHBondContact O-N 2.88Å; C187-E190 VanDerWaalsContact SG-CD 3.54Å; C187-E190 WeakPolarHBondContact SG-CG 3.39Å; C187-E190 PolarHBondContact SG-OE2 3.44Å; C187-F191 PolarHBondContact O-N 2.76Å
188G79.9Confident81.5Confident2 Ų256.1 Ų56.12%0.02128%0.283CS..Hα-helixtrans-52.8-33.6-176.800000113.6N192 D260G188-N192 WeakPolarHBondContact O-CB 3.43Å; G188-N192 PolarHBondContact O-N 3.02Å; G188-N192 PolarHBondContact O-ND2 2.86Å; G188-D260 WeakPolarHBondContact CA-OD1 3.28Å; G188-D260 PolarHBondContact N-OD1 3.4Å
189K83Confident82.3Confident162 Ų16257.1 Ų57.170%0.70429%0.289SS*.Hα-helixtrans-67.4-41.2174.7-69.3-179.4-178.1171.10113.9C187 K193C187-K189 PolarHBondContact O-N 3.17Å; K189-K193 WeakPolarHBondContact O-CG 3.37Å; K189-K193 PolarHBondContact O-N 3.42Å
190E84.8Confident82.8Confident115 Ų11562.9 Ų62.954%0.53731%0.314SS..Hα-helixtrans-70.8-40.4176.2-77.2171.8167.900110.6M186 C187 K193 A194M186-E190 HydrophobicContact CB-CB 4.05Å; M186-E190 HydrophobicContact CG-CB 4.15Å; M186-E190 HydrophobicContact SD-CB 4.12Å; C187-E190 PolarHBondContact O-N 2.88Å; C187-E190 VanDerWaalsContact SG-CD 3.54Å; C187-E190 WeakPolarHBondContact SG-CG 3.39Å; C187-E190 PolarHBondContact SG-OE2 3.44Å; E190-K193 PolarHBondContact O-N 3.32Å; E190-A194 WeakPolarHBondContact O-CB 3.26Å; E190-A194 PolarHBondContact O-N 3.26Å
191F87.3Confident83.4Confident6 Ų663.5 Ų63.53%0.02632%0.322CS..Hα-helixtrans-58.5-49.8174.4174.8-101.2000111.5M186 C187 K193 A194 F195 R249 L252 A253 L256M186-F191 HydrophobicContact CG-CB 3.77Å; M186-F191 WeakPolarHBondContact SD-CA 3.29Å; M186-F191 HydrophobicContact SD-CB 4.1Å; M186-F191 PolarHBondContact SD-N 2.93Å; M186-F191 VanDerWaalsContact SD-N 3.45Å; C187-F191 PolarHBondContact O-N 2.76Å; F191-K193 VanDerWaalsContact C-N 3.31Å; F191-K193 PolarHBondContact O-N 3.16Å; F191-A194 PolarHBondContact O-N 2.79Å; F191-F195 HydrophobicContact CZ-CD2 4.07Å; F191-F195 WeakPolarHBondContact O-CB 3.42Å; F191-F195 PolarHBondContact O-N 2.88Å; F191-R249 HydrophobicContact CE1-CG 3.85Å; F191-R249 HydrophobicContact CZ-CG 4.49Å; F191-L252 HydrophobicContact CE2-CB 4.25Å; F191-L252 HydrophobicContact CE2-CD2 4.14Å; F191-L252 HydrophobicContact CE2-CG 3.97Å; F191-L252 HydrophobicContact CZ-CB 4.03Å; F191-L252 HydrophobicContact CZ-CD2 4.44Å; F191-L252 HydrophobicContact CZ-CG 4.25Å; F191-A253 HydrophobicContact CD1-CB 4.28Å; F191-A253 HydrophobicContact CE1-CB 3.6Å; F191-A253 VanDerWaalsContact CZ-CA 3.42Å; F191-A253 HydrophobicContact CZ-CB 3.78Å; F191-A253 VanDerWaalsContact CZ-N 3.28Å; F191-L256 HydrophobicContact CD2-CB 3.77Å; F191-L256 HydrophobicContact CE2-CB 3.88Å; F191-L256 HydrophobicContact CE2-CD1 4.44Å
192N85.8Confident83.9Confident53 Ų5366.2 Ų66.228%0.28335%0.351SS..Hα-helixtrans-60.2-41.2178.8-76.8-41.4000112.1G188 F195 E196 R249G188-N192 WeakPolarHBondContact O-CB 3.43Å; G188-N192 PolarHBondContact O-N 3.02Å; G188-N192 PolarHBondContact O-ND2 2.86Å; N192-F195 PolarHBondContact O-N 3.32Å; N192-E196 WeakPolarHBondContact O-CG 3.43Å; N192-E196 PolarHBondContact O-N 3.31Å; N192-R249 PolarHBondContact OD1-NH1 3.42Å
193K87.1Confident84.6Confident154 Ų15464.9 Ų64.967%0.6735%0.346SS*.Hα-helixtrans-67.2-39.8175.8-75.5178.3-179.9179.40112.6K189 E190 F191 L197K189-K193 WeakPolarHBondContact O-CG 3.37Å; K189-K193 PolarHBondContact O-N 3.42Å; E190-K193 PolarHBondContact O-N 3.32Å; F191-K193 VanDerWaalsContact C-N 3.31Å; F191-K193 PolarHBondContact O-N 3.16Å; K193-L197 VanDerWaalsContact O-CB 3.29Å; K193-L197 WeakPolarHBondContact O-CB 3.45Å; K193-L197 PolarHBondContact O-N 3.44Å
194A86.8Confident85.3Confident19 Ų1964.5 Ų64.516%0.15734%0.342CS..Hα-helixtrans-64.6-46.7176.100000110M186 E190 F191 E196 L197 Y198M186-A194 HydrophobicContact SD-CB 4.11Å; E190-A194 WeakPolarHBondContact O-CB 3.26Å; E190-A194 PolarHBondContact O-N 3.26Å; F191-A194 PolarHBondContact O-N 2.79Å; A194-E196 PolarHBondContact O-N 3.22Å; A194-L197 WeakPolarHBondContact O-CB 3.34Å; A194-L197 PolarHBondContact O-N 3.46Å; A194-Y198 HydrophobicContact CB-CD2 4.43Å; A194-Y198 HydrophobicContact CB-CE2 4.3Å; A194-Y198 WeakPolarHBondContact O-CD2 3.18Å; A194-Y198 PolarHBondContact O-N 3.39Å
195F87.6Confident85.9Confident2 Ų266.7 Ų66.71%0.00935%0.35CS..Hα-helixtrans-55.7-50.3177.5-166.5-80.2000111.5F191 N192 L197 Y198 D199 I206 R249 L252F191-F195 HydrophobicContact CZ-CD2 4.07Å; F191-F195 WeakPolarHBondContact O-CB 3.42Å; F191-F195 PolarHBondContact O-N 2.88Å; N192-F195 PolarHBondContact O-N 3.32Å; F195-L197 PolarHBondContact O-N 3.08Å; F195-Y198 PolarHBondContact O-N 3.25Å; F195-D199 HydrophobicContact CD1-CB 4.45Å; F195-D199 HydrophobicContact CE1-CB 4.34Å; F195-D199 VanDerWaalsContact O-CB 3.31Å; F195-D199 WeakPolarHBondContact O-CB 3.08Å; F195-D199 PolarHBondContact O-N 3.44Å; F195-I206 HydrophobicContact CD2-CD1 3.59Å; F195-I206 HydrophobicContact CD2-CG1 4.24Å; F195-I206 HydrophobicContact CE1-CG1 4.42Å; F195-I206 HydrophobicContact CE2-CB 4.44Å; F195-I206 HydrophobicContact CE2-CD1 3.62Å; F195-I206 HydrophobicContact CE2-CG1 3.79Å; F195-I206 HydrophobicContact CG-CD1 4.11Å; F195-I206 HydrophobicContact CZ-CD1 4.18Å; F195-I206 HydrophobicContact CZ-CG1 3.91Å; F195-R249 HydrophobicContact CD1-CB 4.48Å; F195-R249 HydrophobicContact CD1-CG 4.48Å; F195-R249 HydrophobicContact CD2-CB 4.28Å; F195-R249 HydrophobicContact CD2-CG 4.23Å; F195-R249 HydrophobicContact CE1-CB 4.17Å; F195-R249 VanDerWaalsContact CE2-CA 3.44Å; F195-R249 HydrophobicContact CE2-CB 3.98Å; F195-R249 HydrophobicContact CE2-CG 4.43Å; F195-R249 HydrophobicContact CG-CG 4.27Å; F195-R249 HydrophobicContact CZ-CB 3.91Å; F195-L252 HydrophobicContact CD2-CD2 3.98Å; F195-L252 HydrophobicContact CE2-CB 4.41Å; F195-L252 HydrophobicContact CE2-CD2 4.2Å
196E88.8Confident86.4Confident119 Ų11964.1 Ų64.156%0.55634%0.339SS*.Hα-helixtrans-66.8-22.5177.8-72173.5-17200113.8N192 A194 R249N192-E196 WeakPolarHBondContact O-CG 3.43Å; N192-E196 PolarHBondContact O-N 3.31Å; A194-E196 PolarHBondContact O-N 3.22Å; E196-R249 IonicContact OE1-CZ 3.86Å; E196-R249 IonicContact OE1-NH1 2.94Å; E196-R249 IonicContact OE1-NH2 3.48Å; E196-R249 PolarHBondContact OE1-NH2 2.92Å
197L89.2Confident86.9Confident119 Ų11964.8 Ų64.862%0.62334%0.343SS*.Hα-helixtrans-78-35.7175.5-177.568.9000112K193 A194 F195K193-L197 VanDerWaalsContact O-CB 3.29Å; K193-L197 WeakPolarHBondContact O-CB 3.45Å; K193-L197 PolarHBondContact O-N 3.44Å; A194-L197 WeakPolarHBondContact O-CB 3.34Å; A194-L197 PolarHBondContact O-N 3.46Å; F195-L197 PolarHBondContact O-N 3.08Å
198Y89.3Confident87.2Confident23 Ų2366.5 Ų66.59%0.0935%0.345CS..Hα-helixtrans-93-22.2-177.2-67-70.7000113.9A194 F195 Q200 E210 A213 L214 D217A194-Y198 HydrophobicContact CB-CD2 4.43Å; A194-Y198 HydrophobicContact CB-CE2 4.3Å; A194-Y198 WeakPolarHBondContact O-CD2 3.18Å; A194-Y198 PolarHBondContact O-N 3.39Å; F195-Y198 PolarHBondContact O-N 3.25Å; Y198-Q200 PolarHBondContact O-N 3.12Å; Y198-E210 WeakPolarHBondContact O-CG 3.45Å; Y198-A213 HydrophobicContact CD1-CB 4.3Å; Y198-A213 HydrophobicContact CE1-CB 4.49Å; Y198-L214 HydrophobicContact CD1-CB 3.98Å; Y198-L214 HydrophobicContact CD2-CB 3.79Å; Y198-L214 HydrophobicContact CD2-CD1 3.64Å; Y198-L214 HydrophobicContact CD2-CG 3.69Å; Y198-L214 HydrophobicContact CE1-CB 4.23Å; Y198-L214 HydrophobicContact CE2-CB 4.07Å; Y198-L214 HydrophobicContact CE2-CD1 4.28Å; Y198-L214 HydrophobicContact CE2-CG 3.88Å; Y198-L214 HydrophobicContact CG-CB 3.79Å; Y198-L214 HydrophobicContact CG-CD1 4.14Å; Y198-L214 HydrophobicContact CG-CG 4.19Å; Y198-D217 WeakPolarHBondContact OH-CB 3.42Å; Y198-D217 PolarHBondContact OH-OD2 3.41Å
199D90.4Very high87.6Confident22 Ų2272.4 Ų72.412%0.11838%0.376CS..  trans-70.877.1164.3179.84.3000108.6F195 G202 N203 G204F195-D199 HydrophobicContact CD1-CB 4.45Å; F195-D199 HydrophobicContact CE1-CB 4.34Å; F195-D199 VanDerWaalsContact O-CB 3.31Å; F195-D199 WeakPolarHBondContact O-CB 3.08Å; F195-D199 PolarHBondContact O-N 3.44Å; D199-G202 PolarHBondContact O-N 3.42Å; D199-G202 WeakPolarHBondContact OD1-CA 3.5Å; D199-G202 PolarHBondContact OD1-N 3.21Å; D199-N203 PolarHBondContact OD1-N 3.3Å; D199-G204 VanDerWaalsContact OD2-CA 3.32Å; D199-G204 WeakPolarHBondContact OD2-CA 3.23Å; D199-G204 PolarHBondContact OD2-N 2.85Å; D199-G204 VanDerWaalsContact OD2-N 3.09Å
200Q85.6Confident88Confident158 Ų15865.4 Ų65.474%0.73835%0.346SS*.  trans-74.8-30.7-169.9-70.3-171.64.600111.9Y198 E210Y198-Q200 PolarHBondContact O-N 3.12Å; Q200-E210 PolarHBondContact N-OE1 2.92Å
201D87.4Confident88.2Confident100 Ų10060 Ų6054%0.53532%0.321SS..SBendtrans-89.3-9179.672.73.1000112.9N203D201-N203 VanDerWaalsContact C-N 3.26Å; D201-N203 PolarHBondContact O-N 3.26Å; D201-N203 WeakPolarHBondContact OD1-CB 3.14Å; D201-N203 PolarHBondContact OD1-N 3.06Å; D201-N203 PolarHBondContact OD1-ND2 3.36Å; D201-N203 PolarHBondContact OD2-ND2 2.88Å
202G87.2Confident88.3Confident59 Ų5961.3 Ų61.361%0.60833%0.328SS*.  trans68.625.7177.400000112.6D199 G204D199-G202 PolarHBondContact O-N 3.42Å; D199-G202 WeakPolarHBondContact OD1-CA 3.5Å; D199-G202 PolarHBondContact OD1-N 3.21Å; G202-G204 PolarHBondContact O-N 3.14Å
203N87.1Confident88.5Confident49 Ų4960.4 Ų60.426%0.26233%0.328SS..SBendtrans-77.3-9-177.572.830.8000112.3D199 D201 Y205D199-N203 PolarHBondContact OD1-N 3.3Å; D201-N203 VanDerWaalsContact C-N 3.26Å; D201-N203 PolarHBondContact O-N 3.26Å; D201-N203 WeakPolarHBondContact OD1-CB 3.14Å; D201-N203 PolarHBondContact OD1-N 3.06Å; D201-N203 PolarHBondContact OD1-ND2 3.36Å; D201-N203 PolarHBondContact OD2-ND2 2.88Å; N203-Y205 HydrophobicContact CB-CD1 4.25Å; N203-Y205 HydrophobicContact CB-CE1 3.78Å; N203-Y205 WeakPolarHBondContact ND2-CE2 3.33Å; N203-Y205 PolarHBondContact ND2-OH 2.86Å; N203-Y205 WeakPolarHBondContact OD1-CA 3.4Å; N203-Y205 WeakPolarHBondContact OD1-CD1 3.45Å; N203-Y205 VanDerWaalsContact OD1-CD2 3.31Å; N203-Y205 WeakPolarHBondContact OD1-CD2 3.43Å; N203-Y205 WeakPolarHBondContact OD1-CE1 3.26Å; N203-Y205 PolarHBondContact OD1-N 2.87Å; N203-Y205 PolarHBondContact OD1-O 3.01Å
204G85.9Confident88.6Confident40 Ų4053.3 Ų53.341%0.41230%0.297SS..SBendtrans85.77.6178.400000114.9D199 G202D199-G204 VanDerWaalsContact OD2-CA 3.32Å; D199-G204 WeakPolarHBondContact OD2-CA 3.23Å; D199-G204 PolarHBondContact OD2-N 2.85Å; D199-G204 VanDerWaalsContact OD2-N 3.09Å; G202-G204 PolarHBondContact O-N 3.14Å
205Y88.8Confident88.6Confident54 Ų5452.4 Ų52.421%0.21229%0.29CS..EExtended strand (participates in β ladder)trans-141.3156.4174.959.7-96.4000110.5N203 K246 L247N203-Y205 HydrophobicContact CB-CD1 4.25Å; N203-Y205 HydrophobicContact CB-CE1 3.78Å; N203-Y205 WeakPolarHBondContact ND2-CE2 3.33Å; N203-Y205 PolarHBondContact ND2-OH 2.86Å; N203-Y205 WeakPolarHBondContact OD1-CA 3.4Å; N203-Y205 WeakPolarHBondContact OD1-CD1 3.45Å; N203-Y205 VanDerWaalsContact OD1-CD2 3.31Å; N203-Y205 WeakPolarHBondContact OD1-CD2 3.43Å; N203-Y205 WeakPolarHBondContact OD1-CE1 3.26Å; N203-Y205 PolarHBondContact OD1-N 2.87Å; N203-Y205 PolarHBondContact OD1-O 3.01Å; Y205-K246 HydrophobicContact CD1-CB 4.46Å; Y205-K246 HydrophobicContact CD1-CD 4.06Å; Y205-K246 HydrophobicContact CD1-CG 4.47Å; Y205-K246 HydrophobicContact CD2-CB 3.73Å; Y205-K246 HydrophobicContact CD2-CD 4.17Å; Y205-K246 HydrophobicContact CD2-CG 3.73Å; Y205-K246 HydrophobicContact CE1-CD 3.87Å; Y205-K246 HydrophobicContact CE1-CG 4.46Å; Y205-K246 HydrophobicContact CE2-CB 4.27Å; Y205-K246 HydrophobicContact CE2-CD 4.01Å; Y205-K246 HydrophobicContact CE2-CG 3.73Å; Y205-K246 HydrophobicContact CG-CB 3.85Å; Y205-K246 HydrophobicContact CG-CD 4.21Å; Y205-K246 HydrophobicContact CG-CG 4.12Å; Y205-L247 CarbonylContact C-O 3.52Å; Y205-L247 VanDerWaalsContact CA-O 3.3Å; Y205-L247 WeakPolarHBondContact CA-O 3.37Å; Y205-L247 WeakPolarHBondContact CB-O 3.22Å
206I90.7Very high88.6Confident0 Ų057.1 Ų57.10%031%0.311CS..EExtended strand (participates in β ladder)trans-97.9124.8174.9-74.6179.4000108.5F195 E210 L211 L214 L247 L252F195-I206 HydrophobicContact CD2-CD1 3.59Å; F195-I206 HydrophobicContact CD2-CG1 4.24Å; F195-I206 HydrophobicContact CE1-CG1 4.42Å; F195-I206 HydrophobicContact CE2-CB 4.44Å; F195-I206 HydrophobicContact CE2-CD1 3.62Å; F195-I206 HydrophobicContact CE2-CG1 3.79Å; F195-I206 HydrophobicContact CG-CD1 4.11Å; F195-I206 HydrophobicContact CZ-CD1 4.18Å; F195-I206 HydrophobicContact CZ-CG1 3.91Å; I206-E210 WeakPolarHBondContact CA-OE2 3.44Å; I206-E210 HydrophobicContact CG2-CB 3.79Å; I206-L211 HydrophobicContact CG2-CB 3.82Å; I206-L214 HydrophobicContact CD1-CD1 3.91Å; I206-L247 HydrophobicContact CB-CB 4.28Å; I206-L247 PolarHBondContact N-O 3.35Å; I206-L247 WeakPolarHBondContact O-CB 3.38Å; I206-L247 PolarHBondContact O-N 3.41Å; I206-L252 HydrophobicContact CD1-CD2 3.7Å
207D90.6Very high88.5Confident45 Ų4554.5 Ų54.524%0.24130%0.3CS..  trans-84.7-179.4173.784.912.5000112.7N209 E210 L211D207-N209 VanDerWaalsContact C-N 3.31Å; D207-N209 PolarHBondContact O-N 3.32Å; D207-N209 WeakPolarHBondContact OD1-CA 3.03Å; D207-N209 WeakPolarHBondContact OD1-CB 3.36Å; D207-N209 PolarHBondContact OD1-N 3.07Å; D207-E210 PolarHBondContact N-OE2 3.18Å; D207-E210 PolarHBondContact O-N 3.24Å; D207-E210 PolarHBondContact OD1-N 3.32Å; D207-L211 VanDerWaalsContact O-CB 3.28Å; D207-L211 WeakPolarHBondContact O-CB 3.35Å; D207-L211 PolarHBondContact O-N 3.28Å
208E88.7Confident88.3Confident96 Ų9649.3 Ų49.345%0.44927%0.273SS..Hα-helixtrans-63.9-32.3-179.5-169.9-179.716900114D212 K235 M239E208-D212 WeakPolarHBondContact O-CB 3.21Å; E208-D212 PolarHBondContact O-N 2.93Å; E208-D212 VanDerWaalsContact O-N 3.13Å; E208-K235 HydrophobicContact CG-CD 3.77Å; E208-K235 HydrophobicContact CG-CG 4.29Å; E208-K235 VanDerWaalsContact OE1-CE 3.23Å; E208-K235 WeakPolarHBondContact OE1-CE 3.36Å; E208-K235 IonicContact OE1-NZ 2.75Å; E208-K235 PolarHBondContact OE1-NZ 2.84Å; E208-M239 VanDerWaalsContact CA-CE 3.48Å; E208-M239 HydrophobicContact CB-CE 3.83Å; E208-M239 HydrophobicContact CG-CE 4.18Å
209N88.6Confident88Confident125 Ų12548.3 Ų48.367%0.66827%0.269SS*.Hα-helixtrans-76.9-41.7179.4-55.5-64000110.9D207 L211 D212 A213D207-N209 VanDerWaalsContact C-N 3.31Å; D207-N209 PolarHBondContact O-N 3.32Å; D207-N209 WeakPolarHBondContact OD1-CA 3.03Å; D207-N209 WeakPolarHBondContact OD1-CB 3.36Å; D207-N209 PolarHBondContact OD1-N 3.07Å; N209-L211 VanDerWaalsContact C-N 3.35Å; N209-D212 WeakPolarHBondContact O-CB 3.45Å; N209-D212 PolarHBondContact O-N 3.04Å; N209-A213 PolarHBondContact O-N 3.22Å; N209-A213 VanDerWaalsContact O-N 3.12Å
210E91Very high87.7Confident16 Ų1653.3 Ų53.38%0.07529%0.292CS..Hα-helixtrans-65.7-39.8176.1-67.9173.9141.300111Y198 Q200 I206 D207 D212 A213 L214Y198-E210 WeakPolarHBondContact O-CG 3.45Å; Q200-E210 PolarHBondContact N-OE1 2.92Å; I206-E210 WeakPolarHBondContact CA-OE2 3.44Å; I206-E210 HydrophobicContact CG2-CB 3.79Å; D207-E210 PolarHBondContact N-OE2 3.18Å; D207-E210 PolarHBondContact O-N 3.24Å; D207-E210 PolarHBondContact OD1-N 3.32Å; E210-D212 VanDerWaalsContact C-N 3.33Å; E210-D212 PolarHBondContact O-N 3.24Å; E210-A213 PolarHBondContact O-N 2.79Å; E210-L214 WeakPolarHBondContact O-CB 3.42Å; E210-L214 PolarHBondContact O-N 2.95Å
211L89.4Confident87.5Confident0 Ų053.5 Ų53.50%029%0.29CS..Hα-helixtrans-62.5-39.5172.5-179.166.9000111.7I206 D207 N209 A213 L214 L215 K235 I238 M239 L247 L252I206-L211 HydrophobicContact CG2-CB 3.82Å; D207-L211 VanDerWaalsContact O-CB 3.28Å; D207-L211 WeakPolarHBondContact O-CB 3.35Å; D207-L211 PolarHBondContact O-N 3.28Å; N209-L211 VanDerWaalsContact C-N 3.35Å; L211-A213 VanDerWaalsContact C-N 3.34Å; L211-A213 PolarHBondContact O-N 2.83Å; L211-L214 PolarHBondContact O-N 2.73Å; L211-L215 HydrophobicContact CD1-CD1 4.26Å; L211-L215 HydrophobicContact CD1-CG 4.17Å; L211-L215 HydrophobicContact CD2-CD1 4.32Å; L211-L215 HydrophobicContact CG-CD1 3.91Å; L211-L215 HydrophobicContact CG-CG 4.25Å; L211-L215 WeakPolarHBondContact O-CB 3.43Å; L211-L215 WeakPolarHBondContact O-CG 3.42Å; L211-L215 PolarHBondContact O-N 2.75Å; L211-K235 HydrophobicContact CD2-CB 4.45Å; L211-K235 HydrophobicContact CD2-CG 3.79Å; L211-K235 HydrophobicContact CG-CG 4.29Å; L211-I238 HydrophobicContact CD1-CD1 4.31Å; L211-I238 HydrophobicContact CD1-CG2 3.92Å; L211-I238 HydrophobicContact CD2-CB 3.92Å; L211-I238 HydrophobicContact CD2-CG2 3.81Å; L211-M239 HydrophobicContact CB-CE 4.26Å; L211-M239 HydrophobicContact CD2-CE 3.64Å; L211-L247 HydrophobicContact CB-CD1 4.38Å; L211-L247 HydrophobicContact CD1-CD1 4.18Å; L211-L247 HydrophobicContact CD2-CD1 3.66Å; L211-L247 HydrophobicContact CG-CD1 4.28Å; L211-L252 HydrophobicContact CD1-CD1 4.09Å
212D89.1Confident87.2Confident34 Ų3451 Ų5118%0.18228%0.277CS..Hα-helixtrans-62.3-41.8177.6-169.384.4000111.6E208 N209 E210 L215 K216 K235E208-D212 WeakPolarHBondContact O-CB 3.21Å; E208-D212 PolarHBondContact O-N 2.93Å; E208-D212 VanDerWaalsContact O-N 3.13Å; N209-D212 WeakPolarHBondContact O-CB 3.45Å; N209-D212 PolarHBondContact O-N 3.04Å; E210-D212 VanDerWaalsContact C-N 3.33Å; E210-D212 PolarHBondContact O-N 3.24Å; D212-L215 PolarHBondContact O-N 3.48Å; D212-K216 WeakPolarHBondContact O-CG 3.36Å; D212-K216 PolarHBondContact O-N 2.85Å; D212-K216 WeakPolarHBondContact OD2-CE 3.15Å; D212-K216 IonicContact OD2-NZ 2.86Å; D212-K216 PolarHBondContact OD2-NZ 3.28Å; D212-K235 HydrophobicContact CB-CD 4.07Å
213A89.5Confident86.6Confident35 Ų3555.1 Ų55.129%0.28928%0.278SS..Hα-helixtrans-63.6-46.1174.800000111.8Y198 N209 E210 L211 L215 K216 D217Y198-A213 HydrophobicContact CD1-CB 4.3Å; Y198-A213 HydrophobicContact CE1-CB 4.49Å; N209-A213 PolarHBondContact O-N 3.22Å; N209-A213 VanDerWaalsContact O-N 3.12Å; E210-A213 PolarHBondContact O-N 2.79Å; L211-A213 VanDerWaalsContact C-N 3.34Å; L211-A213 PolarHBondContact O-N 2.83Å; A213-L215 PolarHBondContact O-N 3.24Å; A213-K216 PolarHBondContact O-N 3.45Å; A213-D217 PolarHBondContact O-N 3.05Å; A213-D217 VanDerWaalsContact O-N 3.15Å
214L89Confident85.9Confident4 Ų462.3 Ų62.32%0.02131%0.31CS..Hα-helixtrans-60.5-45.4177.2-178.8161.8000111.5Y198 I206 E210 L211 K216 D217 L218 L252 L256Y198-L214 HydrophobicContact CD1-CB 3.98Å; Y198-L214 HydrophobicContact CD2-CB 3.79Å; Y198-L214 HydrophobicContact CD2-CD1 3.64Å; Y198-L214 HydrophobicContact CD2-CG 3.69Å; Y198-L214 HydrophobicContact CE1-CB 4.23Å; Y198-L214 HydrophobicContact CE2-CB 4.07Å; Y198-L214 HydrophobicContact CE2-CD1 4.28Å; Y198-L214 HydrophobicContact CE2-CG 3.88Å; Y198-L214 HydrophobicContact CG-CB 3.79Å; Y198-L214 HydrophobicContact CG-CD1 4.14Å; Y198-L214 HydrophobicContact CG-CG 4.19Å; I206-L214 HydrophobicContact CD1-CD1 3.91Å; E210-L214 WeakPolarHBondContact O-CB 3.42Å; E210-L214 PolarHBondContact O-N 2.95Å; L211-L214 PolarHBondContact O-N 2.73Å; L214-K216 PolarHBondContact O-N 3.26Å; L214-D217 PolarHBondContact O-N 3.48Å; L214-L218 HydrophobicContact CD2-CD1 3.46Å; L214-L218 VanDerWaalsContact CD2-CD1 3.46Å; L214-L218 HydrophobicContact CD2-CG 4.04Å; L214-L218 WeakPolarHBondContact O-CG 3.17Å; L214-L218 PolarHBondContact O-N 3.27Å; L214-L252 HydrophobicContact CD1-CD2 3.82Å; L214-L256 HydrophobicContact CD1-CD1 4.44Å; L214-L256 HydrophobicContact CD2-CD1 3.71Å
215L87.4Confident85.2Confident0 Ų064.8 Ų64.80%031%0.311CS..Hα-helixtrans-65.8-37179.5-77.4173.5000112.7F181 L211 D212 A213 L218 C219 I231 K235 I238F181-L215 HydrophobicContact CE1-CD2 4.19Å; F181-L215 HydrophobicContact CZ-CD2 3.98Å; L211-L215 HydrophobicContact CD1-CD1 4.26Å; L211-L215 HydrophobicContact CD1-CG 4.17Å; L211-L215 HydrophobicContact CD2-CD1 4.32Å; L211-L215 HydrophobicContact CG-CD1 3.91Å; L211-L215 HydrophobicContact CG-CG 4.25Å; L211-L215 WeakPolarHBondContact O-CB 3.43Å; L211-L215 WeakPolarHBondContact O-CG 3.42Å; L211-L215 PolarHBondContact O-N 2.75Å; D212-L215 PolarHBondContact O-N 3.48Å; A213-L215 PolarHBondContact O-N 3.24Å; L215-L218 PolarHBondContact O-N 3.04Å; L215-C219 WeakPolarHBondContact O-CB 3.24Å; L215-C219 PolarHBondContact O-N 2.99Å; L215-C219 PolarHBondContact O-SG 3.32Å; L215-C219 VanDerWaalsContact O-SG 3.33Å; L215-I231 HydrophobicContact CB-CG2 4.06Å; L215-I231 HydrophobicContact CD1-CG2 4.49Å; L215-K235 VanDerWaalsContact CD1-CA 3.47Å; L215-K235 HydrophobicContact CD1-CB 3.66Å; L215-K235 HydrophobicContact CD1-CG 4.28Å; L215-I238 HydrophobicContact CD1-CD1 4.41Å; L215-I238 HydrophobicContact CD2-CD1 3.83Å
216K87.4Confident84.6Confident102 Ų10262.5 Ų62.544%0.44330%0.303SS..Hα-helixtrans-60.4-47.7173.6-80.7168.8174.7156.60111.4D212 A213 L214 L218 C219 E220 I231D212-K216 WeakPolarHBondContact O-CG 3.36Å; D212-K216 PolarHBondContact O-N 2.85Å; D212-K216 WeakPolarHBondContact OD2-CE 3.15Å; D212-K216 IonicContact OD2-NZ 2.86Å; D212-K216 PolarHBondContact OD2-NZ 3.28Å; A213-K216 PolarHBondContact O-N 3.45Å; L214-K216 PolarHBondContact O-N 3.26Å; K216-L218 PolarHBondContact O-N 3.15Å; K216-C219 PolarHBondContact O-N 3.45Å; K216-E220 WeakPolarHBondContact O-CG 3.48Å; K216-E220 PolarHBondContact O-N 2.96Å; K216-I231 HydrophobicContact CG-CD1 3.91Å
217D86.3Confident83.9Confident63 Ų6365.8 Ų65.834%0.33732%0.32SS..Hα-helixtrans-66.6-37.9179.8-77.12.4000112.1Y198 A213 L214 E220 K221Y198-D217 WeakPolarHBondContact OH-CB 3.42Å; Y198-D217 PolarHBondContact OH-OD2 3.41Å; A213-D217 PolarHBondContact O-N 3.05Å; A213-D217 VanDerWaalsContact O-N 3.15Å; L214-D217 PolarHBondContact O-N 3.48Å; D217-E220 PolarHBondContact O-N 3.21Å; D217-K221 WeakPolarHBondContact O-CG 3.31Å; D217-K221 PolarHBondContact O-N 3.14Å
218L84.4Confident83.2Confident11 Ų1167.7 Ų67.76%0.05833%0.333CS..Hα-helixtrans-63.1-45.6171.9-76.7-179000111.9F181 I184 M186 L214 L215 K216 E220 K221 N222 L226 L256F181-L218 HydrophobicContact CE1-CD1 4.5Å; I184-L218 HydrophobicContact CG2-CD2 4.09Å; M186-L218 HydrophobicContact CE-CD2 3.76Å; L214-L218 HydrophobicContact CD2-CD1 3.46Å; L214-L218 VanDerWaalsContact CD2-CD1 3.46Å; L214-L218 HydrophobicContact CD2-CG 4.04Å; L214-L218 WeakPolarHBondContact O-CG 3.17Å; L214-L218 PolarHBondContact O-N 3.27Å; L215-L218 PolarHBondContact O-N 3.04Å; K216-L218 PolarHBondContact O-N 3.15Å; L218-E220 VanDerWaalsContact C-N 3.28Å; L218-E220 PolarHBondContact O-N 2.96Å; L218-K221 PolarHBondContact O-N 2.98Å; L218-N222 WeakPolarHBondContact O-CB 3.37Å; L218-N222 PolarHBondContact O-N 2.91Å; L218-N222 PolarHBondContact O-OD1 3.22Å; L218-L226 HydrophobicContact CB-CD1 4.16Å; L218-L256 HydrophobicContact CD1-CD1 3.92Å; L218-L256 HydrophobicContact CD1-CD2 3.43Å; L218-L256 VanDerWaalsContact CD1-CD2 3.43Å; L218-L256 HydrophobicContact CD1-CG 4.35Å
219C83.9Confident82.8Confident1 Ų169.4 Ų69.41%0.00735%0.345CS..Hα-helixtrans-62-37.2175.8-77.40000111.9L215 K216 N222 K223 L226 V228 I231L215-C219 WeakPolarHBondContact O-CB 3.24Å; L215-C219 PolarHBondContact O-N 2.99Å; L215-C219 PolarHBondContact O-SG 3.32Å; L215-C219 VanDerWaalsContact O-SG 3.33Å; K216-C219 PolarHBondContact O-N 3.45Å; C219-N222 CarbonylContact O-C 3.57Å; C219-K223 WeakPolarHBondContact O-CA 3.26Å; C219-K223 WeakPolarHBondContact O-CG 3.49Å; C219-K223 PolarHBondContact O-N 3.12Å; C219-K223 VanDerWaalsContact O-N 3.17Å; C219-L226 HydrophobicContact CB-CB 4.38Å; C219-L226 VanDerWaalsContact SG-CB 3.56Å; C219-V228 HydrophobicContact CB-CG2 4.15Å; C219-I231 HydrophobicContact CB-CD1 4.03Å; C219-I231 HydrophobicContact CB-CG1 4.33Å; C219-I231 WeakPolarHBondContact SG-CG1 3.49Å
220E83.9Confident82.5Confident127 Ų12766 Ų6659%0.59333%0.327SS*.Hα-helixtrans-68.5-36.6176.8-77.3-167.6175.700113.1K216 D217 L218 K223K216-E220 WeakPolarHBondContact O-CG 3.48Å; K216-E220 PolarHBondContact O-N 2.96Å; D217-E220 PolarHBondContact O-N 3.21Å; L218-E220 VanDerWaalsContact C-N 3.28Å; L218-E220 PolarHBondContact O-N 2.96Å; E220-K223 WeakPolarHBondContact O-CE 3.36Å
221K81.5Confident82.1Confident162 Ų16265.7 Ų65.770%0.70433%0.326SS*.Hα-helixtrans-75.6-35.3176-74177.4-179.1172.50112.8D217 L218D217-K221 WeakPolarHBondContact O-CG 3.31Å; D217-K221 PolarHBondContact O-N 3.14Å; L218-K221 PolarHBondContact O-N 2.98Å
222N80Confident81.9Confident47 Ų4770.4 Ų70.425%0.25136%0.355SS..  trans-116.943.1-172.5-62.681.1000112.5I184 L218 C219 Q224 E225 L226I184-N222 HydrophobicContact CD1-CB 4.04Å; I184-N222 HydrophobicContact CG1-CB 4.11Å; I184-N222 HydrophobicContact CG2-CB 4.44Å; L218-N222 WeakPolarHBondContact O-CB 3.37Å; L218-N222 PolarHBondContact O-N 2.91Å; L218-N222 PolarHBondContact O-OD1 3.22Å; C219-N222 CarbonylContact O-C 3.57Å; N222-Q224 PolarHBondContact O-N 3.08Å; N222-E225 PolarHBondContact O-N 3.13Å; N222-L226 PolarHBondContact O-N 3.17Å
223K76Confident81.6Confident146 Ų14672.2 Ų72.264%0.63537%0.367SS*.THydrogen-bonded Turntrans-56.2-16.3-179.8-67.8-177.4-177.2-177.90115.2C219 E220C219-K223 WeakPolarHBondContact O-CA 3.26Å; C219-K223 WeakPolarHBondContact O-CG 3.49Å; C219-K223 PolarHBondContact O-N 3.12Å; C219-K223 VanDerWaalsContact O-N 3.17Å; E220-K223 WeakPolarHBondContact O-CE 3.36Å
224Q72.8Confident81.4Confident200 Ų20070.8 Ų70.894%0.93535%0.354SS*.THydrogen-bonded Turntrans-79.1-29.3176.6-67.6-171.8-20.800112.6N222N222-Q224 PolarHBondContact O-N 3.08Å
225E70.3Confident81.4Confident92 Ų9272.2 Ų72.243%0.4336%0.36SS..THydrogen-bonded Turntrans-110.6-31.9-176-61.9-151-173.900113.2G183 I184 N222G183-E225 WeakPolarHBondContact CA-OE2 3.27Å; I184-E225 HydrophobicContact CD1-CB 4.1Å; I184-E225 HydrophobicContact CG1-CB 4.34Å; N222-E225 PolarHBondContact O-N 3.13Å
226L75.9Confident81.3Confident7 Ų778 Ų784%0.03739%0.385CS..  trans-105.8135.4178.5-57.7179.7000112.4K180 F181 I184 L218 C219 N222 Y234K180-L226 HydrophobicContact CB-CD2 4.37Å; F181-L226 HydrophobicContact CD2-CD2 3.93Å; F181-L226 HydrophobicContact CE2-CD2 3.49Å; F181-L226 VanDerWaalsContact CE2-CD2 3.49Å; F181-L226 HydrophobicContact CZ-CD1 4.24Å; F181-L226 HydrophobicContact CZ-CD2 4Å; I184-L226 HydrophobicContact CD1-CD1 3.44Å; I184-L226 VanDerWaalsContact CD1-CD1 3.44Å; I184-L226 HydrophobicContact CD1-CD2 3.37Å; I184-L226 HydrophobicContact CD1-CG 3.18Å; L218-L226 HydrophobicContact CB-CD1 4.16Å; C219-L226 HydrophobicContact CB-CB 4.38Å; C219-L226 VanDerWaalsContact SG-CB 3.56Å; N222-L226 PolarHBondContact O-N 3.17Å; L226-Y234 HydrophobicContact CB-CE2 4.23Å; L226-Y234 HydrophobicContact CD2-CD2 4.46Å; L226-Y234 HydrophobicContact CD2-CE2 3.82Å
227D76.9Confident81.1Confident69 Ų6973.8 Ų73.837%0.36937%0.368SS..  trans-94.5125.1170.9-168.5-18000110.2N229 N230D227-N229 PolarHBondContact O-N 3.11Å; D227-N229 WeakPolarHBondContact OD1-CB 3.48Å; D227-N229 PolarHBondContact OD1-N 3.39Å; D227-N229 PolarHBondContact OD1-ND2 3.04Å; D227-N230 HydrophobicContact CB-CB 4.35Å; D227-N230 PolarHBondContact O-N 2.95Å
228V76.1Confident81.1Confident84 Ų8470.8 Ų70.851%0.50935%0.352SS..G310 helixtrans-58.5-31.5176-178.60000111.2C219 N230 I231C219-V228 HydrophobicContact CB-CG2 4.15Å; V228-N230 PolarHBondContact O-N 3.17Å; V228-I231 HydrophobicContact CB-CD1 4.29Å; V228-I231 HydrophobicContact CG1-CD1 3.77Å; V228-I231 WeakPolarHBondContact O-CD1 3.37Å; V228-I231 WeakPolarHBondContact O-CG1 3.24Å; V228-I231 PolarHBondContact O-N 2.86Å
229N79.9Confident81.2Confident133 Ų13371.7 Ų71.771%0.71136%0.356SS*.G310 helixtrans-67.3-21.4177.9-58.1-52.8000112.5D227D227-N229 PolarHBondContact O-N 3.11Å; D227-N229 WeakPolarHBondContact OD1-CB 3.48Å; D227-N229 PolarHBondContact OD1-N 3.39Å; D227-N229 PolarHBondContact OD1-ND2 3.04Å
230N80.9Confident81.3Confident53 Ų5372 Ų7228%0.28336%0.359SS..G310 helixtrans-97.83.5-179.2-68.2-24.6000113.4D227 V228 T232 T233 Y234D227-N230 HydrophobicContact CB-CB 4.35Å; D227-N230 PolarHBondContact O-N 2.95Å; V228-N230 PolarHBondContact O-N 3.17Å; N230-T232 PolarHBondContact O-N 3.26Å; N230-T233 WeakPolarHBondContact O-CA 3.2Å; N230-T233 WeakPolarHBondContact O-CB 3.46Å; N230-T233 PolarHBondContact O-N 2.91Å; N230-Y234 HydrophobicContact CB-CD2 4.34Å; N230-Y234 HydrophobicContact CB-CE1 3.94Å; N230-Y234 HydrophobicContact CB-CE2 3.73Å; N230-Y234 WeakPolarHBondContact O-CD2 3.28Å; N230-Y234 PolarHBondContact O-N 3.45Å
231I83Confident81.2Confident10 Ų1066.1 Ų66.15%0.05133%0.332CS..Hα-helixtrans-53.1-44178.4-72.6171.3000111.1L215 K216 C219 V228 T233 Y234 K235L215-I231 HydrophobicContact CB-CG2 4.06Å; L215-I231 HydrophobicContact CD1-CG2 4.49Å; K216-I231 HydrophobicContact CG-CD1 3.91Å; C219-I231 HydrophobicContact CB-CD1 4.03Å; C219-I231 HydrophobicContact CB-CG1 4.33Å; C219-I231 WeakPolarHBondContact SG-CG1 3.49Å; V228-I231 HydrophobicContact CB-CD1 4.29Å; V228-I231 HydrophobicContact CG1-CD1 3.77Å; V228-I231 WeakPolarHBondContact O-CD1 3.37Å; V228-I231 WeakPolarHBondContact O-CG1 3.24Å; V228-I231 PolarHBondContact O-N 2.86Å; I231-T233 VanDerWaalsContact C-N 3.25Å; I231-T233 PolarHBondContact O-N 3.27Å; I231-Y234 PolarHBondContact O-N 3.37Å; I231-K235 VanDerWaalsContact O-CB 3.26Å; I231-K235 WeakPolarHBondContact O-CB 3.4Å; I231-K235 PolarHBondContact O-N 2.89Å
232T85Confident81.4Confident99 Ų9959.1 Ų59.161%0.60730%0.303SS*.Hα-helixtrans-59.4-38.6177.9-47.70000112N230 K236N230-T232 PolarHBondContact O-N 3.26Å; T232-K236 WeakPolarHBondContact O-CB 3.42Å; T232-K236 PolarHBondContact O-N 3.33Å
233T84Confident81.6Confident71 Ų7160.4 Ų60.444%0.43631%0.31SS..Hα-helixtrans-70.7-46.1177.8-51.80000111N230 I231 K235 K236 N237N230-T233 WeakPolarHBondContact O-CA 3.2Å; N230-T233 WeakPolarHBondContact O-CB 3.46Å; N230-T233 PolarHBondContact O-N 2.91Å; I231-T233 VanDerWaalsContact C-N 3.25Å; I231-T233 PolarHBondContact O-N 3.27Å; T233-K235 VanDerWaalsContact C-N 3.33Å; T233-K235 PolarHBondContact O-N 3.48Å; T233-K236 PolarHBondContact O-N 2.94Å; T233-N237 PolarHBondContact O-N 2.93Å; T233-N237 PolarHBondContact O-ND2 3.37Å
234Y84.9Confident81.9Confident5 Ų557.2 Ų57.22%0.0232%0.319CS..Hα-helixtrans-59.6-46.2175.6-56.8-31.2000110.7F177 F181 L226 N230 I231 K236 N237 I238F177-Y234 HydrophobicContact CB-CD1 4.02Å; F177-Y234 HydrophobicContact CB-CE1 3.99Å; F177-Y234 HydrophobicContact CD2-CD1 4.29Å; F177-Y234 HydrophobicContact CG-CD1 4.38Å; F181-Y234 HydrophobicContact CE2-CD1 4.05Å; F181-Y234 HydrophobicContact CE2-CD2 4.21Å; F181-Y234 HydrophobicContact CE2-CE1 4.34Å; F181-Y234 HydrophobicContact CE2-CE2 4.48Å; F181-Y234 AromaticContact CE2-CG 3.99Å; F181-Y234 HydrophobicContact CE2-CG 3.99Å; F181-Y234 HydrophobicContact CZ-CD2 4.24Å; F181-Y234 HydrophobicContact CZ-CG 4.11Å; L226-Y234 HydrophobicContact CB-CE2 4.23Å; L226-Y234 HydrophobicContact CD2-CD2 4.46Å; L226-Y234 HydrophobicContact CD2-CE2 3.82Å; N230-Y234 HydrophobicContact CB-CD2 4.34Å; N230-Y234 HydrophobicContact CB-CE1 3.94Å; N230-Y234 HydrophobicContact CB-CE2 3.73Å; N230-Y234 WeakPolarHBondContact O-CD2 3.28Å; N230-Y234 PolarHBondContact O-N 3.45Å; I231-Y234 PolarHBondContact O-N 3.37Å; Y234-K236 VanDerWaalsContact C-N 3.33Å; Y234-K236 PolarHBondContact O-N 3.09Å; Y234-N237 PolarHBondContact O-N 2.89Å; Y234-I238 WeakPolarHBondContact O-CB 3.16Å; Y234-I238 VanDerWaalsContact O-CG1 3.24Å; Y234-I238 WeakPolarHBondContact O-CG1 3.29Å; Y234-I238 PolarHBondContact O-N 3.34Å
235K87.9Confident82.4Confident34 Ų3449.1 Ų49.115%0.14829%0.288CS..Hα-helixtrans-54.8-49.6175.9-169.2-177.765.2157.30111.3E208 L211 D212 L215 I231 T233 N237 I238 M239E208-K235 HydrophobicContact CG-CD 3.77Å; E208-K235 HydrophobicContact CG-CG 4.29Å; E208-K235 VanDerWaalsContact OE1-CE 3.23Å; E208-K235 WeakPolarHBondContact OE1-CE 3.36Å; E208-K235 IonicContact OE1-NZ 2.75Å; E208-K235 PolarHBondContact OE1-NZ 2.84Å; L211-K235 HydrophobicContact CD2-CB 4.45Å; L211-K235 HydrophobicContact CD2-CG 3.79Å; L211-K235 HydrophobicContact CG-CG 4.29Å; D212-K235 HydrophobicContact CB-CD 4.07Å; L215-K235 VanDerWaalsContact CD1-CA 3.47Å; L215-K235 HydrophobicContact CD1-CB 3.66Å; L215-K235 HydrophobicContact CD1-CG 4.28Å; I231-K235 VanDerWaalsContact O-CB 3.26Å; I231-K235 WeakPolarHBondContact O-CB 3.4Å; I231-K235 PolarHBondContact O-N 2.89Å; T233-K235 VanDerWaalsContact C-N 3.33Å; T233-K235 PolarHBondContact O-N 3.48Å; K235-N237 PolarHBondContact O-N 2.97Å; K235-I238 PolarHBondContact O-N 3.48Å; K235-M239 WeakPolarHBondContact O-CB 3.46Å; K235-M239 PolarHBondContact O-N 3.23Å
236K86.9Confident83.3Confident121 Ų12148.5 Ų48.553%0.52628%0.284SS..Hα-helixtrans-61.5-43179.2-164-173.3-169.2-141.90112.2E101 T232 T233 Y234 A240E101-K236 WeakPolarHBondContact OE2-CE 3.23Å; E101-K236 IonicContact OE2-NZ 3.8Å; E101-K236 PolarHBondContact OE2-NZ 3.49Å; T232-K236 WeakPolarHBondContact O-CB 3.42Å; T232-K236 PolarHBondContact O-N 3.33Å; T233-K236 PolarHBondContact O-N 2.94Å; Y234-K236 VanDerWaalsContact C-N 3.33Å; Y234-K236 PolarHBondContact O-N 3.09Å; K236-A240 PolarHBondContact O-N 3.03Å
237N83.1Confident83.8Confident15 Ų1548.2 Ų48.28%0.0828%0.283CS..Hα-helixtrans-68.5-42.7-179.8-67.1-17.3000112.1F177 T233 Y234 K235 A240F177-N237 HydrophobicContact CD1-CB 3.8Å; F177-N237 VanDerWaalsContact CD1-ND2 3.33Å; F177-N237 WeakPolarHBondContact CD1-ND2 3.1Å; F177-N237 HydrophobicContact CE1-CB 3.38Å; F177-N237 HydrophobicContact CZ-CB 3.88Å; T233-N237 PolarHBondContact O-N 2.93Å; T233-N237 PolarHBondContact O-ND2 3.37Å; Y234-N237 PolarHBondContact O-N 2.89Å; K235-N237 PolarHBondContact O-N 2.97Å; N237-A240 WeakPolarHBondContact O-CB 3.43Å; N237-A240 PolarHBondContact O-N 3.38Å
238I85.8Confident84.4Confident0 Ų049.2 Ų49.20%028%0.282CS..Hα-helixtrans-68.1-42.6177.7-62.6177.2000109.9F177 F181 L211 L215 Y234 K235 A240 L241 L247 L252 I255F177-I238 HydrophobicContact CE2-CG1 4Å; F177-I238 HydrophobicContact CZ-CG1 4.07Å; F181-I238 HydrophobicContact CE1-CD1 4.23Å; F181-I238 HydrophobicContact CZ-CD1 4.39Å; L211-I238 HydrophobicContact CD1-CD1 4.31Å; L211-I238 HydrophobicContact CD1-CG2 3.92Å; L211-I238 HydrophobicContact CD2-CB 3.92Å; L211-I238 HydrophobicContact CD2-CG2 3.81Å; L215-I238 HydrophobicContact CD1-CD1 4.41Å; L215-I238 HydrophobicContact CD2-CD1 3.83Å; Y234-I238 WeakPolarHBondContact O-CB 3.16Å; Y234-I238 VanDerWaalsContact O-CG1 3.24Å; Y234-I238 WeakPolarHBondContact O-CG1 3.29Å; Y234-I238 PolarHBondContact O-N 3.34Å; K235-I238 PolarHBondContact O-N 3.48Å; I238-A240 PolarHBondContact O-N 3.35Å; I238-A240 VanDerWaalsContact O-N 3.07Å; I238-L241 WeakPolarHBondContact O-CB 3.13Å; I238-L241 PolarHBondContact O-N 2.93Å; I238-L247 HydrophobicContact CG2-CD1 3.79Å; I238-L247 HydrophobicContact CG2-CD2 4.16Å; I238-L247 WeakPolarHBondContact O-CD2 3.44Å; I238-L252 HydrophobicContact CG2-CD1 3.69Å; I238-I255 HydrophobicContact CB-CD1 4.05Å; I238-I255 HydrophobicContact CD1-CD1 4.32Å; I238-I255 HydrophobicContact CD1-CG2 4.44Å; I238-I255 HydrophobicContact CG1-CD1 3.66Å; I238-I255 HydrophobicContact CG2-CD1 3.73Å
239M87.3Confident84.8Confident29 Ų2949.6 Ų49.614%0.14327%0.274CS..Hα-helixtrans-62.5-17.7176.9-16257.157.700113E208 L211 K235 L241 S242 L247E208-M239 VanDerWaalsContact CA-CE 3.48Å; E208-M239 HydrophobicContact CB-CE 3.83Å; E208-M239 HydrophobicContact CG-CE 4.18Å; L211-M239 HydrophobicContact CB-CE 4.26Å; L211-M239 HydrophobicContact CD2-CE 3.64Å; K235-M239 WeakPolarHBondContact O-CB 3.46Å; K235-M239 PolarHBondContact O-N 3.23Å; M239-L241 PolarHBondContact O-N 3Å; M239-S242 WeakPolarHBondContact O-CB 3.17Å; M239-S242 PolarHBondContact O-N 3.27Å; M239-S242 PolarHBondContact O-OG 3.45Å; M239-S242 WeakPolarHBondContact SD-CB 3.36Å; M239-S242 PolarHBondContact SD-OG 2.79Å; M239-L247 HydrophobicContact CE-CD1 3.57Å; M239-L247 HydrophobicContact CE-CG 4.32Å; M239-L247 HydrophobicContact SD-CD1 4.1Å; M239-L247 HydrophobicContact SD-CG 4.26Å
240A85.2Confident84.9Confident9 Ų947 Ų477%0.07426%0.263CS..THydrogen-bonded Turntrans-68.1-22172.700000113.4E101 M104 K105 K236 N237 I238 S242E101-A240 HydrophobicContact CB-CB 4.36Å; E101-A240 HydrophobicContact CG-CB 3.68Å; M104-A240 HydrophobicContact CB-CB 3.64Å; M104-A240 HydrophobicContact CG-CB 4.36Å; K105-A240 HydrophobicContact CG-CB 4.17Å; K236-A240 PolarHBondContact O-N 3.03Å; N237-A240 WeakPolarHBondContact O-CB 3.43Å; N237-A240 PolarHBondContact O-N 3.38Å; I238-A240 PolarHBondContact O-N 3.35Å; I238-A240 VanDerWaalsContact O-N 3.07Å; A240-S242 VanDerWaalsContact C-N 3.34Å
241L82.6Confident85Confident3 Ų345 Ų452%0.01625%0.252CS..THydrogen-bonded Turntrans-82.9-11.4169.8-67.7170.4000112.9M104 R108 L164 I238 M239 L247 D251 I255M104-L241 HydrophobicContact CB-CD2 3.87Å; M104-L241 HydrophobicContact CB-CG 3.94Å; M104-L241 HydrophobicContact CE-CD1 3.84Å; M104-L241 HydrophobicContact CE-CG 4.27Å; M104-L241 HydrophobicContact CG-CD2 4.21Å; M104-L241 HydrophobicContact CG-CG 4.02Å; M104-L241 HydrophobicContact SD-CD1 3.76Å; M104-L241 HydrophobicContact SD-CD2 3.6Å; M104-L241 HydrophobicContact SD-CG 3.66Å; R108-L241 VanDerWaalsContact CD-O 3.29Å; R108-L241 WeakPolarHBondContact CD-O 3.43Å; R108-L241 PolarHBondContact NE-O 2.79Å; L164-L241 HydrophobicContact CD2-CD1 3.97Å; I238-L241 WeakPolarHBondContact O-CB 3.13Å; I238-L241 PolarHBondContact O-N 2.93Å; M239-L241 PolarHBondContact O-N 3Å; L241-L247 HydrophobicContact CB-CD2 4.34Å; L241-D251 HydrophobicContact CB-CB 4.44Å; L241-I255 HydrophobicContact CD1-CD1 3.46Å; L241-I255 VanDerWaalsContact CD1-CD1 3.46Å; L241-I255 HydrophobicContact CD1-CG1 4Å
242S85.6Confident85.1Confident15 Ų1544.5 Ų44.511%0.10525%0.25CC..SBendtrans-69.3153-177.878.60000112.7M239 A240 G244 G245 K246M239-S242 WeakPolarHBondContact O-CB 3.17Å; M239-S242 PolarHBondContact O-N 3.27Å; M239-S242 PolarHBondContact O-OG 3.45Å; M239-S242 WeakPolarHBondContact SD-CB 3.36Å; M239-S242 PolarHBondContact SD-OG 2.79Å; A240-S242 VanDerWaalsContact C-N 3.34Å; S242-G244 PolarHBondContact O-N 3.28Å; S242-G245 WeakPolarHBondContact OG-CA 3.17Å; S242-G245 PolarHBondContact OG-N 3.48Å; S242-G245 VanDerWaalsContact OG-N 3.07Å; S242-K246 WeakPolarHBondContact CA-O 3.42Å; S242-K246 WeakPolarHBondContact CB-O 3.5Å
243D82.9Confident85.1Confident74 Ų7441 Ų4140%0.39623%0.231SC..BIsolated β-bridgetrans-89.293.8167.3-155.30.9000111.4R108 G245 K246 Y248R108-D243 VanDerWaalsContact CZ-CG 3.43Å; R108-D243 IonicContact CZ-OD1 3.53Å; R108-D243 IonicContact CZ-OD2 2.67Å; R108-D243 VanDerWaalsContact NH1-CG 3.28Å; R108-D243 IonicContact NH1-OD1 3.12Å; R108-D243 PolarHBondContact NH1-OD1 3.48Å; R108-D243 IonicContact NH1-OD2 2.66Å; R108-D243 IonicContact NH2-OD1 2.91Å; R108-D243 PolarHBondContact NH2-OD1 3.43Å; R108-D243 IonicContact NH2-OD2 2.78Å; R108-D243 PolarHBondContact NH2-OD2 2.87Å; D243-G245 VanDerWaalsContact C-N 3.26Å; D243-G245 PolarHBondContact O-N 2.83Å; D243-K246 PolarHBondContact N-O 2.92Å; D243-K246 WeakPolarHBondContact O-CB 3.44Å; D243-K246 PolarHBondContact O-N 3.34Å; D243-K246 VanDerWaalsContact O-N 3.17Å; D243-Y248 HydrophobicContact CB-CD2 4.49Å; D243-Y248 HydrophobicContact CB-CE2 3.94Å
244G82.2Confident84.9Confident79 Ų7938.9 Ų38.981%0.81422%0.217SC*.THydrogen-bonded Turntrans60.835.217900000113.3S242S242-G244 PolarHBondContact O-N 3.28Å
245G83.8Confident84.8Confident29 Ų2938.7 Ų38.730%0.29922%0.216SC..THydrogen-bonded Turntrans92.85.4-178.500000114.7S242 D243S242-G245 WeakPolarHBondContact OG-CA 3.17Å; S242-G245 PolarHBondContact OG-N 3.48Å; S242-G245 VanDerWaalsContact OG-N 3.07Å; D243-G245 VanDerWaalsContact C-N 3.26Å; D243-G245 PolarHBondContact O-N 2.83Å
246K88.5Confident84.5Confident80 Ų8037.2 Ų37.235%0.34821%0.21SC..BIsolated β-bridgetrans-109.9113.7177.7-56.9-176.5178.9-173.50110.3Y205 S242 D243 Y248Y205-K246 HydrophobicContact CD1-CB 4.46Å; Y205-K246 HydrophobicContact CD1-CD 4.06Å; Y205-K246 HydrophobicContact CD1-CG 4.47Å; Y205-K246 HydrophobicContact CD2-CB 3.73Å; Y205-K246 HydrophobicContact CD2-CD 4.17Å; Y205-K246 HydrophobicContact CD2-CG 3.73Å; Y205-K246 HydrophobicContact CE1-CD 3.87Å; Y205-K246 HydrophobicContact CE1-CG 4.46Å; Y205-K246 HydrophobicContact CE2-CB 4.27Å; Y205-K246 HydrophobicContact CE2-CD 4.01Å; Y205-K246 HydrophobicContact CE2-CG 3.73Å; Y205-K246 HydrophobicContact CG-CB 3.85Å; Y205-K246 HydrophobicContact CG-CD 4.21Å; Y205-K246 HydrophobicContact CG-CG 4.12Å; S242-K246 WeakPolarHBondContact CA-O 3.42Å; S242-K246 WeakPolarHBondContact CB-O 3.5Å; D243-K246 PolarHBondContact N-O 2.92Å; D243-K246 WeakPolarHBondContact O-CB 3.44Å; D243-K246 PolarHBondContact O-N 3.34Å; D243-K246 VanDerWaalsContact O-N 3.17Å; K246-Y248 HydrophobicContact CB-CE2 4.25Å
247L88.3Confident84.2Confident0 Ų032.1 Ų32.10%019%0.19CC..EExtended strand (participates in β ladder)trans-91.7108.9174.8-74.3160000109.7Y205 I206 L211 I238 M239 L241 D251Y205-L247 CarbonylContact C-O 3.52Å; Y205-L247 VanDerWaalsContact CA-O 3.3Å; Y205-L247 WeakPolarHBondContact CA-O 3.37Å; Y205-L247 WeakPolarHBondContact CB-O 3.22Å; I206-L247 HydrophobicContact CB-CB 4.28Å; I206-L247 PolarHBondContact N-O 3.35Å; I206-L247 WeakPolarHBondContact O-CB 3.38Å; I206-L247 PolarHBondContact O-N 3.41Å; L211-L247 HydrophobicContact CB-CD1 4.38Å; L211-L247 HydrophobicContact CD1-CD1 4.18Å; L211-L247 HydrophobicContact CD2-CD1 3.66Å; L211-L247 HydrophobicContact CG-CD1 4.28Å; I238-L247 HydrophobicContact CG2-CD1 3.79Å; I238-L247 HydrophobicContact CG2-CD2 4.16Å; I238-L247 WeakPolarHBondContact O-CD2 3.44Å; M239-L247 HydrophobicContact CE-CD1 3.57Å; M239-L247 HydrophobicContact CE-CG 4.32Å; M239-L247 HydrophobicContact SD-CD1 4.1Å; M239-L247 HydrophobicContact SD-CG 4.26Å; L241-L247 HydrophobicContact CB-CD2 4.34Å; L247-D251 HydrophobicContact CD2-CB 4.22Å
248Y87.9Confident83.5Confident91 Ų9134.3 Ų34.336%0.35721%0.21SC..EExtended strand (participates in β ladder)trans-74.9162173.8-66.3-81.2000110.5D243 K246 T250 D251 L252D243-Y248 HydrophobicContact CB-CD2 4.49Å; D243-Y248 HydrophobicContact CB-CE2 3.94Å; K246-Y248 HydrophobicContact CB-CE2 4.25Å; Y248-T250 PolarHBondContact O-N 3.31Å; Y248-D251 WeakPolarHBondContact CB-OD2 3.35Å; Y248-D251 PolarHBondContact N-OD2 3.17Å; Y248-D251 PolarHBondContact O-N 3.37Å; Y248-D251 VanDerWaalsContact O-N 3.1Å; Y248-L252 PolarHBondContact O-N 3.44Å; Y248-L252 VanDerWaalsContact O-N 3.1Å
249R85.1Confident82.1Confident92 Ų9236.5 Ų36.535%0.34723%0.232SC..Hα-helixtrans-54.5-38.9178.5-172.9-179.7-70.5-164-3112.2F191 N192 F195 E196 A253F191-R249 HydrophobicContact CE1-CG 3.85Å; F191-R249 HydrophobicContact CZ-CG 4.49Å; N192-R249 PolarHBondContact OD1-NH1 3.42Å; F195-R249 HydrophobicContact CD1-CB 4.48Å; F195-R249 HydrophobicContact CD1-CG 4.48Å; F195-R249 HydrophobicContact CD2-CB 4.28Å; F195-R249 HydrophobicContact CD2-CG 4.23Å; F195-R249 HydrophobicContact CE1-CB 4.17Å; F195-R249 VanDerWaalsContact CE2-CA 3.44Å; F195-R249 HydrophobicContact CE2-CB 3.98Å; F195-R249 HydrophobicContact CE2-CG 4.43Å; F195-R249 HydrophobicContact CG-CG 4.27Å; F195-R249 HydrophobicContact CZ-CB 3.91Å; E196-R249 IonicContact OE1-CZ 3.86Å; E196-R249 IonicContact OE1-NH1 2.94Å; E196-R249 IonicContact OE1-NH2 3.48Å; E196-R249 PolarHBondContact OE1-NH2 2.92Å; R249-A253 WeakPolarHBondContact O-CB 3.34Å; R249-A253 PolarHBondContact O-N 2.98Å
250T82.3Confident79.9Confident78 Ų7840.9 Ų40.948%0.47926%0.256SS..Hα-helixtrans-62-47.1176.846.50000111.6Y248 L252 A253 L254Y248-T250 PolarHBondContact O-N 3.31Å; T250-L252 PolarHBondContact O-N 2.89Å; T250-A253 WeakPolarHBondContact O-CB 3.4Å; T250-A253 PolarHBondContact O-N 3.49Å; T250-L254 WeakPolarHBondContact O-CG 3.14Å
251D83.9Confident77.5Confident10 Ų1051.9 Ų51.95%0.05331%0.314CS..Hα-helixtrans-65.1-44.6-177.2-50.5-38.4000111.5L241 L247 Y248 A253 L254L241-D251 HydrophobicContact CB-CB 4.44Å; L247-D251 HydrophobicContact CD2-CB 4.22Å; Y248-D251 WeakPolarHBondContact CB-OD2 3.35Å; Y248-D251 PolarHBondContact N-OD2 3.17Å; Y248-D251 PolarHBondContact O-N 3.37Å; Y248-D251 VanDerWaalsContact O-N 3.1Å; D251-A253 VanDerWaalsContact C-N 3.33Å; D251-L254 PolarHBondContact O-N 2.78Å
252L85Confident77.2Confident0 Ų054.4 Ų54.40%033%0.329CS..Hα-helixtrans-74.2-27.3-179-167.267.9000112.2F191 F195 I206 L211 L214 I238 Y248 T250 L254 I255 L256F191-L252 HydrophobicContact CE2-CB 4.25Å; F191-L252 HydrophobicContact CE2-CD2 4.14Å; F191-L252 HydrophobicContact CE2-CG 3.97Å; F191-L252 HydrophobicContact CZ-CB 4.03Å; F191-L252 HydrophobicContact CZ-CD2 4.44Å; F191-L252 HydrophobicContact CZ-CG 4.25Å; F195-L252 HydrophobicContact CD2-CD2 3.98Å; F195-L252 HydrophobicContact CE2-CB 4.41Å; F195-L252 HydrophobicContact CE2-CD2 4.2Å; I206-L252 HydrophobicContact CD1-CD2 3.7Å; L211-L252 HydrophobicContact CD1-CD1 4.09Å; L214-L252 HydrophobicContact CD1-CD2 3.82Å; I238-L252 HydrophobicContact CG2-CD1 3.69Å; Y248-L252 PolarHBondContact O-N 3.44Å; Y248-L252 VanDerWaalsContact O-N 3.1Å; T250-L252 PolarHBondContact O-N 2.89Å; L252-L254 PolarHBondContact O-N 3.26Å; L252-I255 PolarHBondContact O-N 3.19Å; L252-L256 HydrophobicContact CD1-CD1 3.93Å; L252-L256 HydrophobicContact CD2-CD1 4.1Å; L252-L256 HydrophobicContact CG-CD1 3.87Å; L252-L256 PolarHBondContact O-N 2.95Å
253A84.8Confident76.8Confident25 Ų2556.4 Ų56.421%0.20734%0.341CS..Hα-helixtrans-61.6-33176.200000111.8F191 R249 T250 D251 I255 L256 S257F191-A253 HydrophobicContact CD1-CB 4.28Å; F191-A253 HydrophobicContact CE1-CB 3.6Å; F191-A253 VanDerWaalsContact CZ-CA 3.42Å; F191-A253 HydrophobicContact CZ-CB 3.78Å; F191-A253 VanDerWaalsContact CZ-N 3.28Å; R249-A253 WeakPolarHBondContact O-CB 3.34Å; R249-A253 PolarHBondContact O-N 2.98Å; T250-A253 WeakPolarHBondContact O-CB 3.4Å; T250-A253 PolarHBondContact O-N 3.49Å; D251-A253 VanDerWaalsContact C-N 3.33Å; A253-I255 PolarHBondContact O-N 3.02Å; A253-I255 VanDerWaalsContact O-N 3.11Å; A253-L256 PolarHBondContact O-N 2.7Å; A253-S257 WeakPolarHBondContact O-CA 3.32Å; A253-S257 WeakPolarHBondContact O-CB 3.38Å; A253-S257 PolarHBondContact O-N 3.41Å
254L80.2Confident76.4Confident28 Ų2855.4 Ų55.415%0.14734%0.338CS..Hα-helixtrans-58.9-27.9179.8-52.4-178.5000113.5L164 T250 D251 L252L164-L254 HydrophobicContact CB-CB 4.3Å; L164-L254 HydrophobicContact CD2-CB 3.63Å; L164-L254 HydrophobicContact CD2-CD1 4.29Å; T250-L254 WeakPolarHBondContact O-CG 3.14Å; D251-L254 PolarHBondContact O-N 2.78Å; L252-L254 PolarHBondContact O-N 3.26Å
255I81.6Confident76.1Confident1 Ų154.1 Ų54.11%0.00531%0.31CS..Hα-helixtrans-99.5-42.7-174.9-60157.6000111M104 L164 F177 L178 F181 I238 L241 L252 A253M104-I255 HydrophobicContact CE-CD1 4.49Å; L164-I255 HydrophobicContact CD2-CG1 4.11Å; F177-I255 HydrophobicContact CE2-CG2 4.13Å; L178-I255 HydrophobicContact CD2-CG1 4.11Å; L178-I255 HydrophobicContact CD2-CG2 4.43Å; F181-I255 HydrophobicContact CB-CG2 4.06Å; F181-I255 HydrophobicContact CD1-CG2 3.47Å; F181-I255 VanDerWaalsContact CD1-CG2 3.47Å; F181-I255 HydrophobicContact CE1-CG2 4.11Å; F181-I255 HydrophobicContact CG-CG2 3.91Å; I238-I255 HydrophobicContact CB-CD1 4.05Å; I238-I255 HydrophobicContact CD1-CD1 4.32Å; I238-I255 HydrophobicContact CD1-CG2 4.44Å; I238-I255 HydrophobicContact CG1-CD1 3.66Å; I238-I255 HydrophobicContact CG2-CD1 3.73Å; L241-I255 HydrophobicContact CD1-CD1 3.46Å; L241-I255 VanDerWaalsContact CD1-CD1 3.46Å; L241-I255 HydrophobicContact CD1-CG1 4Å; L252-I255 PolarHBondContact O-N 3.19Å; A253-I255 PolarHBondContact O-N 3.02Å; A253-I255 VanDerWaalsContact O-N 3.11Å
256L82.8Confident75.6Confident2 Ų255.6 Ų55.61%0.0131%0.31CS..Hα-helixtrans-106.2-16.6-168.4-64.1177.7000114F181 K185 M186 F191 L214 L218 L252 A253F181-L256 HydrophobicContact CD1-CD2 3.62Å; F181-L256 HydrophobicContact CE1-CD2 3.82Å; K185-L256 WeakPolarHBondContact CA-O 3.26Å; M186-L256 WeakPolarHBondContact CG-O 3.4Å; M186-L256 PolarHBondContact N-O 2.63Å; F191-L256 HydrophobicContact CD2-CB 3.77Å; F191-L256 HydrophobicContact CE2-CB 3.88Å; F191-L256 HydrophobicContact CE2-CD1 4.44Å; L214-L256 HydrophobicContact CD1-CD1 4.44Å; L214-L256 HydrophobicContact CD2-CD1 3.71Å; L218-L256 HydrophobicContact CD1-CD1 3.92Å; L218-L256 HydrophobicContact CD1-CD2 3.43Å; L218-L256 VanDerWaalsContact CD1-CD2 3.43Å; L218-L256 HydrophobicContact CD1-CG 4.35Å; L252-L256 HydrophobicContact CD1-CD1 3.93Å; L252-L256 HydrophobicContact CD2-CD1 4.1Å; L252-L256 HydrophobicContact CG-CD1 3.87Å; L252-L256 PolarHBondContact O-N 2.95Å; A253-L256 PolarHBondContact O-N 2.7Å
257S80.3Confident74.8Confident15 Ų1554 Ų5411%0.10531%0.308CS..BIsolated β-bridgetrans-90.4139176.7-163.20000110.6K185 A253 G259K185-S257 WeakPolarHBondContact CE-O 3.25Å; A253-S257 WeakPolarHBondContact O-CA 3.32Å; A253-S257 WeakPolarHBondContact O-CB 3.38Å; A253-S257 PolarHBondContact O-N 3.41Å; S257-G259 PolarHBondContact O-N 3.35Å; S257-G259 PolarHBondContact OG-N 2.92Å
258A68Low73.8Confident60 Ų6057.9 Ų57.950%0.49633%0.33SS..  trans-73.7-1.9170.300000113.8K185 M186K185-A258 HydrophobicContact CB-CB 4.03Å; M186-A258 PolarHBondContact O-N 2.84Å
259G56.8Low72.7Confident46 Ų4655.3 Ų55.347%0.47433%0.328SS..  trans74140.5-161.700000110S257 N261S257-G259 PolarHBondContact O-N 3.35Å; S257-G259 PolarHBondContact OG-N 2.92Å; G259-N261 PolarHBondContact O-N 2.99Å
260D40.6Very low71.7Confident122 Ų12252.3 Ų52.365%0.65233%0.326SS*.  trans-80.6108.8166.8-76.9-32.6000107G188G188-D260 WeakPolarHBondContact CA-OD1 3.28Å; G188-D260 PolarHBondContact N-OD1 3.4Å
261N33.9Very low70.7Confident240 Ų24049.9 Ų49.9100%1.28331%0.312SS*.  trans-54.30162.1-103.15.5000111.2G259G259-N261 PolarHBondContact O-N 2.99Å

Retrieved 261 of 261 residues in 90.7 ms (Link to these results)

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