A0A3B5R5Z2_XIPMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A3B5R5Z2, Species XIPMA (Xiphophorus maculatus, Southern platyfish), Gene n/a, Length 151 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
1M50.6Low85Confident233 Ų233101 Ų101100%1.14852%0.519SS*.  0128.80-75.9173.6172.700106
2S60.2Low85.8Confident47 Ų4794.4 Ų94.433%0.32948%0.484SS..  trans-60.4138.4175.944.90000110F4 I9 Q75S2-F4 PolarHBondContact O-N 3.36Å; S2-I9 WeakPolarHBondContact OG-CD1 3.15Å; S2-Q75 VanDerWaalsContact CA-NE2 3.34Å
3D79.3Confident86.6Confident112 Ų11294.1 Ų94.160%0.59948%0.476SS*.SBendtrans-75.52.6173.2-67.1-41.5000112.7K79D3-K79 WeakPolarHBondContact OD2-CE 3.41Å; D3-K79 IonicContact OD2-NZ 2.74Å; D3-K79 PolarHBondContact OD2-NZ 3.29Å
4F88.7Confident87.1Confident40 Ų4096.1 Ų96.118%0.17548%0.483CS..SBendtrans-98.7143.5178.6-58.2-55.8000111.1S2 Q8 I9 F12 L71 F74 Q75 A78S2-F4 PolarHBondContact O-N 3.36Å; F4-Q8 HydrophobicContact CB-CB 4.17Å; F4-I9 HydrophobicContact CB-CD1 4.42Å; F4-I9 HydrophobicContact CB-CG1 3.9Å; F4-F12 HydrophobicContact CB-CE2 4.14Å; F4-F12 AromaticContact CD1-CE2 3.79Å; F4-F12 HydrophobicContact CD1-CE2 3.79Å; F4-F12 HydrophobicContact CD1-CZ 4.18Å; F4-F12 HydrophobicContact CD2-CD2 4.25Å; F4-F12 AromaticContact CD2-CE2 3.65Å; F4-F12 HydrophobicContact CD2-CE2 3.65Å; F4-F12 HydrophobicContact CE1-CE2 4Å; F4-F12 HydrophobicContact CE1-CZ 4.19Å; F4-F12 HydrophobicContact CE2-CD2 4.47Å; F4-F12 AromaticContact CE2-CE2 3.82Å; F4-F12 HydrophobicContact CE2-CE2 3.82Å; F4-F12 AromaticContact CG-CE2 3.61Å; F4-F12 HydrophobicContact CG-CE2 3.61Å; F4-F12 HydrophobicContact CG-CZ 4.45Å; F4-F12 HydrophobicContact CZ-CE2 4.02Å; F4-F12 HydrophobicContact CZ-CZ 4.43Å; F4-L71 HydrophobicContact CD2-CD1 4.04Å; F4-L71 HydrophobicContact CE2-CD1 4.37Å; F4-F74 AromaticContact CE2-CD1 3.67Å; F4-F74 HydrophobicContact CE2-CD1 3.67Å; F4-F74 AromaticContact CE2-CE1 3.9Å; F4-F74 HydrophobicContact CE2-CE1 3.9Å; F4-F74 AromaticContact CZ-CD1 3.88Å; F4-F74 HydrophobicContact CZ-CD1 3.88Å; F4-F74 AromaticContact CZ-CE1 3.69Å; F4-F74 HydrophobicContact CZ-CE1 3.69Å; F4-Q75 HydrophobicContact CD2-CG 3.63Å; F4-Q75 HydrophobicContact CE2-CB 4.23Å; F4-Q75 HydrophobicContact CE2-CG 3.2Å; F4-Q75 HydrophobicContact CZ-CG 4.11Å; F4-A78 HydrophobicContact CZ-CB 3.98Å
5S92.3Very high87.6Confident56 Ų5691 Ų9139%0.39246%0.462SS..  trans-66.7161.2171.261.90000111.8D7 Q8 I9S5-D7 VanDerWaalsContact C-N 3.27Å; S5-D7 PolarHBondContact O-N 3.3Å; S5-Q8 PolarHBondContact O-N 3.01Å; S5-Q8 VanDerWaalsContact OG-CG 3.27Å; S5-Q8 WeakPolarHBondContact OG-CG 3.39Å; S5-Q8 PolarHBondContact OG-N 3.35Å; S5-Q8 PolarHBondContact OG-OE1 2.97Å; S5-I9 VanDerWaalsContact O-CG1 3.3Å; S5-I9 WeakPolarHBondContact O-CG1 3.06Å; S5-I9 PolarHBondContact O-N 3.44Å
6E92.9Very high88.2Confident172 Ų17285.4 Ų85.480%0.80443%0.433SS*.Hα-helixtrans-58.8-39.7177.8-66.2-176.716100112I9 L10E6-I9 PolarHBondContact O-N 3.38Å; E6-L10 PolarHBondContact O-N 2.98Å
7D93.8Very high88.6Confident119 Ų11985 Ų8564%0.63643%0.432SS*.Hα-helixtrans-63.1-44.5177-65-27.8000111.6S5 I9 L10 E11S5-D7 VanDerWaalsContact C-N 3.27Å; S5-D7 PolarHBondContact O-N 3.3Å; D7-I9 VanDerWaalsContact C-N 3.34Å; D7-I9 PolarHBondContact O-N 3.27Å; D7-L10 WeakPolarHBondContact O-CB 3.42Å; D7-L10 PolarHBondContact O-N 3.48Å; D7-E11 PolarHBondContact O-N 2.91Å
8Q93.3Very high88.9Confident76 Ų7688.4 Ų88.436%0.35545%0.451SS..Hα-helixtrans-63-40.6175.6-74172.3-5600112F4 S5 L10 E11 F12F4-Q8 HydrophobicContact CB-CB 4.17Å; S5-Q8 PolarHBondContact O-N 3.01Å; S5-Q8 VanDerWaalsContact OG-CG 3.27Å; S5-Q8 WeakPolarHBondContact OG-CG 3.39Å; S5-Q8 PolarHBondContact OG-N 3.35Å; S5-Q8 PolarHBondContact OG-OE1 2.97Å; Q8-L10 VanDerWaalsContact C-N 3.25Å; Q8-L10 PolarHBondContact O-N 3.19Å; Q8-E11 PolarHBondContact O-N 3.11Å; Q8-F12 HydrophobicContact CB-CE2 3.97Å; Q8-F12 HydrophobicContact CB-CZ 4.02Å; Q8-F12 WeakPolarHBondContact O-CD1 3.46Å; Q8-F12 WeakPolarHBondContact O-CD2 3.44Å; Q8-F12 WeakPolarHBondContact O-CG 3.28Å; Q8-F12 PolarHBondContact O-N 2.91Å
9I94.8Very high89.2Confident38 Ų3886.8 Ų86.820%0.19544%0.44CS..Hα-helixtrans-63.1-37.9177.2-66.6166.3000110.3S2 F4 S5 E6 D7 F12 K13 F67 L71S2-I9 WeakPolarHBondContact OG-CD1 3.15Å; F4-I9 HydrophobicContact CB-CD1 4.42Å; F4-I9 HydrophobicContact CB-CG1 3.9Å; S5-I9 VanDerWaalsContact O-CG1 3.3Å; S5-I9 WeakPolarHBondContact O-CG1 3.06Å; S5-I9 PolarHBondContact O-N 3.44Å; E6-I9 PolarHBondContact O-N 3.38Å; D7-I9 VanDerWaalsContact C-N 3.34Å; D7-I9 PolarHBondContact O-N 3.27Å; I9-F12 PolarHBondContact O-N 3.3Å; I9-K13 WeakPolarHBondContact O-CB 3.27Å; I9-K13 PolarHBondContact O-N 2.97Å; I9-F67 HydrophobicContact CG2-CE1 3.82Å; I9-F67 HydrophobicContact CG2-CZ 4.06Å; I9-F67 WeakPolarHBondContact O-CZ 3.45Å; I9-L71 HydrophobicContact CD1-CD2 4.44Å; I9-L71 HydrophobicContact CG1-CD2 4.3Å; I9-L71 HydrophobicContact CG2-CD2 4.16Å
10L94.4Very high89.5Confident97 Ų9783.8 Ų83.851%0.50843%0.426SS..Hα-helixtrans-64-47.9175.3-174.663.9000111.3E6 D7 Q8 F12 K13 E14E6-L10 PolarHBondContact O-N 2.98Å; D7-L10 WeakPolarHBondContact O-CB 3.42Å; D7-L10 PolarHBondContact O-N 3.48Å; Q8-L10 VanDerWaalsContact C-N 3.25Å; Q8-L10 PolarHBondContact O-N 3.19Å; L10-F12 VanDerWaalsContact C-N 3.33Å; L10-F12 PolarHBondContact O-N 3.41Å; L10-K13 WeakPolarHBondContact O-CB 3.3Å; L10-K13 PolarHBondContact O-N 3.38Å; L10-K13 VanDerWaalsContact O-N 3.11Å; L10-E14 WeakPolarHBondContact O-CG 3.37Å; L10-E14 PolarHBondContact O-N 2.99Å
11E94.5Very high89.5Confident121 Ų12190.1 Ų90.157%0.56544%0.444SS*.Hα-helixtrans-57.9-44.2175.7-71.6179175.600111.8D7 Q8 K13 E14 A15D7-E11 PolarHBondContact O-N 2.91Å; Q8-E11 PolarHBondContact O-N 3.11Å; E11-K13 VanDerWaalsContact C-N 3.28Å; E11-K13 PolarHBondContact O-N 2.99Å; E11-E14 PolarHBondContact O-N 3.4Å; E11-A15 PolarHBondContact O-N 3.47Å
12F95.4Very high91.2Very high22 Ų2283.6 Ų83.610%0.09642%0.418CS..Hα-helixtrans-63.4-36.5177.2-58.2-25.6000112.2F4 Q8 I9 L10 F16 L39 F67 L71 F74F4-F12 HydrophobicContact CB-CE2 4.14Å; F4-F12 AromaticContact CD1-CE2 3.79Å; F4-F12 HydrophobicContact CD1-CE2 3.79Å; F4-F12 HydrophobicContact CD1-CZ 4.18Å; F4-F12 HydrophobicContact CD2-CD2 4.25Å; F4-F12 AromaticContact CD2-CE2 3.65Å; F4-F12 HydrophobicContact CD2-CE2 3.65Å; F4-F12 HydrophobicContact CE1-CE2 4Å; F4-F12 HydrophobicContact CE1-CZ 4.19Å; F4-F12 HydrophobicContact CE2-CD2 4.47Å; F4-F12 AromaticContact CE2-CE2 3.82Å; F4-F12 HydrophobicContact CE2-CE2 3.82Å; F4-F12 AromaticContact CG-CE2 3.61Å; F4-F12 HydrophobicContact CG-CE2 3.61Å; F4-F12 HydrophobicContact CG-CZ 4.45Å; F4-F12 HydrophobicContact CZ-CE2 4.02Å; F4-F12 HydrophobicContact CZ-CZ 4.43Å; Q8-F12 HydrophobicContact CB-CE2 3.97Å; Q8-F12 HydrophobicContact CB-CZ 4.02Å; Q8-F12 WeakPolarHBondContact O-CD1 3.46Å; Q8-F12 WeakPolarHBondContact O-CD2 3.44Å; Q8-F12 WeakPolarHBondContact O-CG 3.28Å; Q8-F12 PolarHBondContact O-N 2.91Å; I9-F12 PolarHBondContact O-N 3.3Å; L10-F12 VanDerWaalsContact C-N 3.33Å; L10-F12 PolarHBondContact O-N 3.41Å; F12-F16 VanDerWaalsContact O-CB 3.23Å; F12-F16 WeakPolarHBondContact O-CB 3.16Å; F12-F16 PolarHBondContact O-N 3.29Å; F12-L39 HydrophobicContact CB-CD1 4.21Å; F12-L39 HydrophobicContact CD1-CD1 4.12Å; F12-L39 HydrophobicContact CD1-CD2 3.68Å; F12-L39 HydrophobicContact CD1-CG 4.44Å; F12-L39 HydrophobicContact CE1-CD2 4.41Å; F12-L39 HydrophobicContact CG-CD1 4.32Å; F12-F67 HydrophobicContact CB-CE2 4.03Å; F12-F67 HydrophobicContact CB-CZ 4.08Å; F12-L71 HydrophobicContact CD2-CD1 4.23Å; F12-F74 HydrophobicContact CD1-CE1 4.27Å; F12-F74 HydrophobicContact CD2-CD1 4.23Å; F12-F74 AromaticContact CD2-CE1 3.96Å; F12-F74 HydrophobicContact CD2-CE1 3.96Å; F12-F74 AromaticContact CE1-CE1 4Å; F12-F74 HydrophobicContact CE1-CE1 4Å; F12-F74 HydrophobicContact CE1-CZ 4.31Å; F12-F74 HydrophobicContact CE2-CD1 4.24Å; F12-F74 AromaticContact CE2-CE1 3.68Å; F12-F74 HydrophobicContact CE2-CE1 3.68Å; F12-F74 HydrophobicContact CG-CE1 4.26Å; F12-F74 AromaticContact CZ-CE1 3.7Å; F12-F74 HydrophobicContact CZ-CE1 3.7Å; F12-F74 HydrophobicContact CZ-CZ 4.36Å
13K95.3Very high92.7Very high90 Ų9084.6 Ų84.639%0.39144%0.435SS..Hα-helixtrans-69.1-42.2177.1-171.4172.5-177.1171.20111.5I9 L10 E11 F16 L17 F67I9-K13 WeakPolarHBondContact O-CB 3.27Å; I9-K13 PolarHBondContact O-N 2.97Å; L10-K13 WeakPolarHBondContact O-CB 3.3Å; L10-K13 PolarHBondContact O-N 3.38Å; L10-K13 VanDerWaalsContact O-N 3.11Å; E11-K13 VanDerWaalsContact C-N 3.28Å; E11-K13 PolarHBondContact O-N 2.99Å; K13-F16 PolarHBondContact O-N 3.23Å; K13-L17 HydrophobicContact CG-CD1 4.35Å; K13-L17 VanDerWaalsContact O-CG 3.28Å; K13-L17 WeakPolarHBondContact O-CG 3.31Å; K13-L17 PolarHBondContact O-N 2.94Å; K13-F67 VanDerWaalsContact CA-CE2 3.4Å; K13-F67 HydrophobicContact CB-CD1 4.27Å; K13-F67 HydrophobicContact CB-CD2 4.13Å; K13-F67 HydrophobicContact CB-CE1 3.93Å; K13-F67 HydrophobicContact CB-CE2 3.8Å; K13-F67 HydrophobicContact CB-CG 4.35Å; K13-F67 HydrophobicContact CB-CZ 3.68Å; K13-F67 HydrophobicContact CD-CD1 4.13Å; K13-F67 HydrophobicContact CD-CE1 4.32Å; K13-F67 HydrophobicContact CG-CD1 4.13Å; K13-F67 HydrophobicContact CG-CD2 4.22Å; K13-F67 HydrophobicContact CG-CE1 4.28Å; K13-F67 HydrophobicContact CG-CE2 4.38Å; K13-F67 HydrophobicContact CG-CG 4.08Å; K13-F67 HydrophobicContact CG-CZ 4.4Å
14E94.6Very high93.4Very high122 Ų12283.3 Ų83.357%0.5743%0.428SS*.Hα-helixtrans-61.1-47.1175.7-71.6-176.2162.600111L10 E11 F16 L17 L18L10-E14 WeakPolarHBondContact O-CG 3.37Å; L10-E14 PolarHBondContact O-N 2.99Å; E11-E14 PolarHBondContact O-N 3.4Å; E14-F16 PolarHBondContact O-N 3.23Å; E14-L17 PolarHBondContact O-N 2.76Å; E14-L18 PolarHBondContact O-N 3.11Å
15A94.6Very high93.7Very high20 Ų2082.7 Ų82.717%0.16543%0.433CS..Hα-helixtrans-61.4-43.7175.200000112.3E11 L17 L18 F19 L39E11-A15 PolarHBondContact O-N 3.47Å; A15-L17 VanDerWaalsContact C-N 3.29Å; A15-L17 PolarHBondContact O-N 2.89Å; A15-L18 WeakPolarHBondContact O-CB 3.23Å; A15-L18 PolarHBondContact O-N 3.35Å; A15-L18 VanDerWaalsContact O-N 3.12Å; A15-F19 WeakPolarHBondContact O-CD2 3.47Å; A15-L39 HydrophobicContact CB-CD2 3.48Å; A15-L39 VanDerWaalsContact CB-CD2 3.48Å; A15-L39 HydrophobicContact CB-CG 4.35Å
16F96.1Very high93.9Very high1 Ų183.7 Ų83.70%0.00443%0.43CS..Hα-helixtrans-57-42.6176.2177.9-84.5000112F12 K13 E14 L18 F19 I27 V35 L65 F67 F70F12-F16 VanDerWaalsContact O-CB 3.23Å; F12-F16 WeakPolarHBondContact O-CB 3.16Å; F12-F16 PolarHBondContact O-N 3.29Å; K13-F16 PolarHBondContact O-N 3.23Å; E14-F16 PolarHBondContact O-N 3.23Å; F16-L18 PolarHBondContact O-N 3.11Å; F16-F19 PolarHBondContact O-N 3.32Å; F16-F19 VanDerWaalsContact O-N 3.11Å; F16-I27 HydrophobicContact CD1-CG2 4.47Å; F16-I27 HydrophobicContact CD2-CD1 3.96Å; F16-I27 HydrophobicContact CD2-CG1 4.5Å; F16-I27 HydrophobicContact CD2-CG2 4.46Å; F16-I27 HydrophobicContact CE1-CG2 4.04Å; F16-I27 HydrophobicContact CE2-CB 4.4Å; F16-I27 HydrophobicContact CE2-CD1 3.4Å; F16-I27 HydrophobicContact CE2-CG1 3.57Å; F16-I27 HydrophobicContact CE2-CG2 4.05Å; F16-I27 HydrophobicContact CZ-CB 4.23Å; F16-I27 HydrophobicContact CZ-CD1 4.06Å; F16-I27 HydrophobicContact CZ-CG1 3.71Å; F16-I27 HydrophobicContact CZ-CG2 3.81Å; F16-V35 HydrophobicContact CB-CG1 4.47Å; F16-V35 HydrophobicContact CD2-CG1 4.27Å; F16-L65 WeakPolarHBondContact CZ-O 3.35Å; F16-F67 HydrophobicContact CB-CD2 3.89Å; F16-F67 HydrophobicContact CB-CE2 4.31Å; F16-F67 HydrophobicContact CD1-CB 4.27Å; F16-F67 HydrophobicContact CD1-CD2 4.27Å; F16-F67 HydrophobicContact CD2-CD2 4.14Å; F16-F67 HydrophobicContact CE1-CB 4.25Å; F16-F67 AromaticContact CG-CD2 3.86Å; F16-F67 HydrophobicContact CG-CD2 3.86Å; F16-F70 HydrophobicContact CD2-CB 4.12Å; F16-F70 AromaticContact CD2-CD1 3.87Å; F16-F70 HydrophobicContact CD2-CD1 3.87Å; F16-F70 HydrophobicContact CD2-CD2 4.3Å; F16-F70 HydrophobicContact CD2-CE1 4.38Å; F16-F70 AromaticContact CD2-CG 3.83Å; F16-F70 HydrophobicContact CD2-CG 3.83Å; F16-F70 HydrophobicContact CE2-CB 3.72Å; F16-F70 HydrophobicContact CE2-CD1 4.33Å; F16-F70 HydrophobicContact CE2-CD2 4.23Å; F16-F70 AromaticContact CE2-CG 3.84Å; F16-F70 HydrophobicContact CE2-CG 3.84Å
17L95.6Very high94.1Very high79 Ų7975.5 Ų75.541%0.41439%0.392SS..Hα-helixtrans-69.5-18.6179.9-69.1173.5000113.4K13 E14 A15 F19 D20K13-L17 HydrophobicContact CG-CD1 4.35Å; K13-L17 VanDerWaalsContact O-CG 3.28Å; K13-L17 WeakPolarHBondContact O-CG 3.31Å; K13-L17 PolarHBondContact O-N 2.94Å; E14-L17 PolarHBondContact O-N 2.76Å; A15-L17 VanDerWaalsContact C-N 3.29Å; A15-L17 PolarHBondContact O-N 2.89Å; L17-F19 PolarHBondContact O-N 3.12Å; L17-D20 PolarHBondContact O-N 3.12Å
18L94.9Very high94.2Very high147 Ų14770.5 Ų70.577%0.7737%0.367SS*.Hα-helixtrans-66.9-22.5171.3-63.3175.9000112.6E14 A15 F16E14-L18 PolarHBondContact O-N 3.11Å; A15-L18 WeakPolarHBondContact O-CB 3.23Å; A15-L18 PolarHBondContact O-N 3.35Å; A15-L18 VanDerWaalsContact O-N 3.12Å; F16-L18 PolarHBondContact O-N 3.11Å
19F94.4Very high94.3Very high57 Ų5768.4 Ų68.425%0.2536%0.356CS..SBendtrans-94.6-10.6178.8-71.1-101.6000113.1A15 F16 L17 R21 I27 Q31 D34 V35 A38A15-F19 WeakPolarHBondContact O-CD2 3.47Å; F16-F19 PolarHBondContact O-N 3.32Å; F16-F19 VanDerWaalsContact O-N 3.11Å; L17-F19 PolarHBondContact O-N 3.12Å; F19-R21 PolarHBondContact O-N 2.75Å; F19-R21 VanDerWaalsContact O-N 3.12Å; F19-I27 HydrophobicContact CB-CG2 3.93Å; F19-Q31 PolarHBondContact O-NE2 2.86Å; F19-D34 HydrophobicContact CE1-CB 3.91Å; F19-V35 HydrophobicContact CB-CG2 3.76Å; F19-V35 HydrophobicContact CD1-CG2 3.85Å; F19-V35 HydrophobicContact CD2-CG2 3.69Å; F19-V35 HydrophobicContact CE1-CG2 4.36Å; F19-V35 HydrophobicContact CE2-CG2 4.2Å; F19-V35 HydrophobicContact CG-CG2 3.49Å; F19-V35 VanDerWaalsContact CG-CG2 3.49Å; F19-A38 HydrophobicContact CE2-CB 3.76Å; F19-A38 HydrophobicContact CZ-CB 3.64Å
20D93.7Very high94.3Very high27 Ų2768.6 Ų68.614%0.14436%0.36CS..  trans-69.5105.4174.51785.9000110.1L17 T22 G23 D24 G25L17-D20 PolarHBondContact O-N 3.12Å; D20-T22 PolarHBondContact OD1-N 3.36Å; D20-T22 PolarHBondContact OD1-OG1 3.32Å; D20-T22 VanDerWaalsContact OD1-OG1 3.12Å; D20-G23 VanDerWaalsContact CG-N 3.28Å; D20-G23 PolarHBondContact OD1-N 2.95Å; D20-G23 VanDerWaalsContact OD2-C 3.22Å; D20-G23 WeakPolarHBondContact OD2-CA 3.25Å; D20-G23 PolarHBondContact OD2-N 3.21Å; D20-D24 PolarHBondContact OD2-N 3.41Å; D20-D24 VanDerWaalsContact OD2-N 3.11Å; D20-G25 VanDerWaalsContact OD2-CA 3.31Å; D20-G25 WeakPolarHBondContact OD2-CA 3.1Å; D20-G25 PolarHBondContact OD2-N 3.33Å
21R89.6Confident94.3Very high217 Ų21764.8 Ų64.882%0.81934%0.34SS*.SBendtrans-83.1-17.6179.5-63.2-179.7-179.4174.51.3112.7F19F19-R21 PolarHBondContact O-N 2.75Å; F19-R21 VanDerWaalsContact O-N 3.12Å
22T87.9Confident94.4Very high96 Ų9659 Ų5959%0.58931%0.313SS*.SBendtrans-103.4-18.3-171.737.40000113D20 D24D20-T22 PolarHBondContact OD1-N 3.36Å; D20-T22 PolarHBondContact OD1-OG1 3.32Å; D20-T22 VanDerWaalsContact OD1-OG1 3.12Å; T22-D24 VanDerWaalsContact C-N 3.27Å; T22-D24 PolarHBondContact OG1-OD1 2.9Å
23G90.9Very high94.4Very high67 Ų6758.2 Ų58.269%0.69131%0.311SS*.SBendtrans7415.4-178.700000113.6D20D20-G23 VanDerWaalsContact CG-N 3.28Å; D20-G23 PolarHBondContact OD1-N 2.95Å; D20-G23 VanDerWaalsContact OD2-C 3.22Å; D20-G23 WeakPolarHBondContact OD2-CA 3.25Å; D20-G23 PolarHBondContact OD2-N 3.21Å
24D94.1Very high94.4Very high85 Ų8557.7 Ų57.746%0.45531%0.312SS..SBendtrans-99.19.1-18074.6-35.7000113.3D20 T22D20-D24 PolarHBondContact OD2-N 3.41Å; D20-D24 VanDerWaalsContact OD2-N 3.11Å; T22-D24 VanDerWaalsContact C-N 3.27Å; T22-D24 PolarHBondContact OG1-OD1 2.9Å
25G94.6Very high94.5Very high27 Ų2751.9 Ų51.928%0.27829%0.285SS..SBendtrans77.827.5178.400000113.3D20D20-G25 VanDerWaalsContact OD2-CA 3.31Å; D20-G25 WeakPolarHBondContact OD2-CA 3.1Å; D20-G25 PolarHBondContact OD2-N 3.33Å
26K96.5Very high94.6Very high78 Ų7850.9 Ų50.934%0.33928%0.277SS..EExtended strand (participates in β ladder)trans-136.7155.7-175.6-60.9-178.5-172.9166.80112.6M64 L65 D66K26-M64 HydrophobicContact CB-CB 4.16Å; K26-M64 HydrophobicContact CB-CE 3.81Å; K26-M64 HydrophobicContact CD-CB 3.94Å; K26-L65 VanDerWaalsContact CA-O 3.23Å; K26-L65 WeakPolarHBondContact CA-O 2.81Å; K26-L65 WeakPolarHBondContact CB-O 3.38Å; K26-D66 HydrophobicContact CG-CB 4.21Å
27I96.3Very high94.5Very high0 Ų055.2 Ų55.20%029%0.293CS..EExtended strand (participates in β ladder)trans-123157.7171.967.3175.4000110F16 F19 Q31 V35 M64 L65F16-I27 HydrophobicContact CD1-CG2 4.47Å; F16-I27 HydrophobicContact CD2-CD1 3.96Å; F16-I27 HydrophobicContact CD2-CG1 4.5Å; F16-I27 HydrophobicContact CD2-CG2 4.46Å; F16-I27 HydrophobicContact CE1-CG2 4.04Å; F16-I27 HydrophobicContact CE2-CB 4.4Å; F16-I27 HydrophobicContact CE2-CD1 3.4Å; F16-I27 HydrophobicContact CE2-CG1 3.57Å; F16-I27 HydrophobicContact CE2-CG2 4.05Å; F16-I27 HydrophobicContact CZ-CB 4.23Å; F16-I27 HydrophobicContact CZ-CD1 4.06Å; F16-I27 HydrophobicContact CZ-CG1 3.71Å; F16-I27 HydrophobicContact CZ-CG2 3.81Å; F19-I27 HydrophobicContact CB-CG2 3.93Å; I27-Q31 HydrophobicContact CB-CB 4.15Å; I27-Q31 HydrophobicContact CD1-CB 4.36Å; I27-V35 HydrophobicContact CD1-CB 4.37Å; I27-V35 HydrophobicContact CD1-CG2 3.68Å; I27-M64 CarbonylContact O-C 3.51Å; I27-M64 VanDerWaalsContact O-CA 3.3Å; I27-M64 WeakPolarHBondContact O-CA 3.3Å; I27-L65 HydrophobicContact CD1-CD2 4.34Å; I27-L65 HydrophobicContact CG1-CB 4.13Å; I27-L65 HydrophobicContact CG1-CD2 4.39Å; I27-L65 PolarHBondContact N-O 3.1Å; I27-L65 PolarHBondContact O-N 3.38Å
28S95.8Very high94.5Very high14 Ų1454.5 Ų54.510%0.09830%0.299CS..EExtended strand (participates in β ladder)trans-72158170.467.30000111.2S30 Q31 K63S28-S30 PolarHBondContact O-N 2.87Å; S28-S30 PolarHBondContact OG-OG 2.63Å; S28-Q31 PolarHBondContact O-N 2.98Å; S28-Q31 WeakPolarHBondContact OG-CG 3.4Å; S28-Q31 PolarHBondContact OG-N 2.78Å; S28-Q31 PolarHBondContact OG-OE1 3.42Å; S28-K63 WeakPolarHBondContact CA-O 3.42Å
29Y96.2Very high94.4Very high32 Ų3249 Ų4913%0.12527%0.27CS..G310 helixtrans-56.8-34.9172.9-86.832.7000112.3Q31 C32 L52 P55 M60 K63 L65Y29-Q31 VanDerWaalsContact C-N 3.26Å; Y29-Q31 PolarHBondContact O-N 3.33Å; Y29-C32 VanDerWaalsContact O-CB 3.23Å; Y29-C32 WeakPolarHBondContact O-CB 3.32Å; Y29-C32 PolarHBondContact O-N 3.04Å; Y29-L52 HydrophobicContact CD1-CD2 4.26Å; Y29-L52 HydrophobicContact CD2-CB 4.24Å; Y29-L52 HydrophobicContact CD2-CD1 4.24Å; Y29-L52 HydrophobicContact CD2-CD2 3.88Å; Y29-L52 HydrophobicContact CD2-CG 4.36Å; Y29-L52 HydrophobicContact CE1-CD2 4.44Å; Y29-L52 HydrophobicContact CE2-CB 4.29Å; Y29-L52 HydrophobicContact CE2-CD2 4.05Å; Y29-L52 HydrophobicContact CG-CD1 4.43Å; Y29-L52 HydrophobicContact CG-CD2 3.97Å; Y29-P55 HydrophobicContact CD2-CB 4.09Å; Y29-P55 HydrophobicContact CD2-CG 4.1Å; Y29-P55 HydrophobicContact CE2-CB 4.37Å; Y29-M60 PolarHBondContact N-O 3.12Å; Y29-K63 HydrophobicContact CD1-CB 3.64Å; Y29-K63 WeakPolarHBondContact CD1-O 3.44Å; Y29-K63 HydrophobicContact CD2-CB 4.07Å; Y29-K63 HydrophobicContact CD2-CD 4.34Å; Y29-K63 HydrophobicContact CE1-CB 3.64Å; Y29-K63 HydrophobicContact CE2-CB 4.1Å; Y29-K63 HydrophobicContact CE2-CD 3.82Å; Y29-K63 HydrophobicContact CG-CB 3.87Å; Y29-K63 PolarHBondContact N-O 3.21Å; Y29-L65 HydrophobicContact CD1-CB 4.21Å; Y29-L65 HydrophobicContact CE1-CB 4.15Å; Y29-L65 HydrophobicContact CE1-CD1 4.04Å
30S94.8Very high94.3Very high42 Ų4249 Ų4929%0.29429%0.286SS..G310 helixtrans-62.3-27.4174.947.40000114.4S28 M60 N61S28-S30 PolarHBondContact O-N 2.87Å; S28-S30 PolarHBondContact OG-OG 2.63Å; S30-M60 WeakPolarHBondContact CB-O 3.23Å; S30-M60 PolarHBondContact N-O 2.66Å; S30-M60 PolarHBondContact OG-O 2.86Å; S30-N61 PolarHBondContact OG-OD1 2.95Å
31Q95.6Very high94.3Very high16 Ų1649.6 Ų49.68%0.07529%0.288CS..G310 helixtrans-83.8-11.9177.8-67174.9-74.600113.2F19 I27 S28 Y29 G33 D34 V35F19-Q31 PolarHBondContact O-NE2 2.86Å; I27-Q31 HydrophobicContact CB-CB 4.15Å; I27-Q31 HydrophobicContact CD1-CB 4.36Å; S28-Q31 PolarHBondContact O-N 2.98Å; S28-Q31 WeakPolarHBondContact OG-CG 3.4Å; S28-Q31 PolarHBondContact OG-N 2.78Å; S28-Q31 PolarHBondContact OG-OE1 3.42Å; Y29-Q31 VanDerWaalsContact C-N 3.26Å; Y29-Q31 PolarHBondContact O-N 3.33Å; Q31-G33 VanDerWaalsContact C-N 3.32Å; Q31-G33 PolarHBondContact O-N 3.49Å; Q31-D34 PolarHBondContact O-N 3.05Å; Q31-D34 VanDerWaalsContact O-N 3.11Å; Q31-V35 WeakPolarHBondContact O-CG2 3.43Å; Q31-V35 PolarHBondContact O-N 2.94Å
32C96.2Very high94.5Very high0 Ų044 Ų440%028%0.275CS..Hα-helixtrans-56.8-44.4-173.5-173.20000112.5Y29 V35 M36 V48 L52Y29-C32 VanDerWaalsContact O-CB 3.23Å; Y29-C32 WeakPolarHBondContact O-CB 3.32Å; Y29-C32 PolarHBondContact O-N 3.04Å; C32-V35 PolarHBondContact O-N 2.96Å; C32-M36 VanDerWaalsContact O-CG 3.29Å; C32-M36 WeakPolarHBondContact O-CG 3.48Å; C32-M36 PolarHBondContact O-N 2.98Å; C32-M36 VanDerWaalsContact O-N 3.1Å; C32-M36 WeakPolarHBondContact SG-CE 3.45Å; C32-V48 HydrophobicContact CB-CG1 4.3Å; C32-L52 HydrophobicContact CB-CD1 4.17Å; C32-L52 HydrophobicContact CB-CD2 4.14Å
33G95.7Very high94.8Very high5 Ų539.7 Ų39.75%0.05225%0.248CC..Hα-helixtrans-64.5-39.9177.600000113Q31 M36 R37Q31-G33 VanDerWaalsContact C-N 3.32Å; Q31-G33 PolarHBondContact O-N 3.49Å; G33-M36 PolarHBondContact O-N 3.25Å; G33-R37 WeakPolarHBondContact O-CG 3.39Å; G33-R37 PolarHBondContact O-N 3.28Å
34D95.1Very high95Very high79 Ų7939.8 Ų39.842%0.42224%0.235SC..Hα-helixtrans-66.4-39.6179.6-58.8-24.4000111.5F19 Q31 R37 A38F19-D34 HydrophobicContact CE1-CB 3.91Å; Q31-D34 PolarHBondContact O-N 3.05Å; Q31-D34 VanDerWaalsContact O-N 3.11Å; D34-R37 PolarHBondContact O-N 2.92Å; D34-R37 IonicContact OD1-NH1 3.65Å; D34-A38 WeakPolarHBondContact O-CB 3.29Å; D34-A38 PolarHBondContact O-N 3.22Å
35V96.4Very high95Very high0 Ų039.4 Ų39.40%023%0.233CC..Hα-helixtrans-65.2-41.9174.8-178.10000111F16 F19 I27 Q31 C32 R37 A38 L39 F70F16-V35 HydrophobicContact CB-CG1 4.47Å; F16-V35 HydrophobicContact CD2-CG1 4.27Å; F19-V35 HydrophobicContact CB-CG2 3.76Å; F19-V35 HydrophobicContact CD1-CG2 3.85Å; F19-V35 HydrophobicContact CD2-CG2 3.69Å; F19-V35 HydrophobicContact CE1-CG2 4.36Å; F19-V35 HydrophobicContact CE2-CG2 4.2Å; F19-V35 HydrophobicContact CG-CG2 3.49Å; F19-V35 VanDerWaalsContact CG-CG2 3.49Å; I27-V35 HydrophobicContact CD1-CB 4.37Å; I27-V35 HydrophobicContact CD1-CG2 3.68Å; Q31-V35 WeakPolarHBondContact O-CG2 3.43Å; Q31-V35 PolarHBondContact O-N 2.94Å; C32-V35 PolarHBondContact O-N 2.96Å; V35-R37 VanDerWaalsContact C-N 3.3Å; V35-R37 PolarHBondContact O-N 3.25Å; V35-A38 PolarHBondContact O-N 3.35Å; V35-L39 HydrophobicContact CG1-CD1 4.17Å; V35-L39 WeakPolarHBondContact O-CB 3.44Å; V35-L39 WeakPolarHBondContact O-CG 3.46Å; V35-L39 PolarHBondContact O-N 3.45Å; V35-F70 HydrophobicContact CB-CE2 4.1Å; V35-F70 HydrophobicContact CB-CZ 4.1Å; V35-F70 HydrophobicContact CG1-CE1 4.06Å; V35-F70 HydrophobicContact CG1-CE2 3.96Å; V35-F70 HydrophobicContact CG1-CZ 3.52Å
36M95.9Very high94.9Very high0 Ų040.8 Ų40.80%024%0.242CC..Hα-helixtrans-60.4-41.3175.7-68173.6175.300111.7C32 G33 L39 G40 Q41 P43 V48 V51 F70 M73 F74 I77C32-M36 VanDerWaalsContact O-CG 3.29Å; C32-M36 WeakPolarHBondContact O-CG 3.48Å; C32-M36 PolarHBondContact O-N 2.98Å; C32-M36 VanDerWaalsContact O-N 3.1Å; C32-M36 WeakPolarHBondContact SG-CE 3.45Å; G33-M36 PolarHBondContact O-N 3.25Å; M36-L39 CarbonylContact O-C 3.54Å; M36-L39 PolarHBondContact O-N 3.41Å; M36-G40 PolarHBondContact O-N 3.13Å; M36-Q41 WeakPolarHBondContact O-CB 3.33Å; M36-Q41 PolarHBondContact O-N 3.49Å; M36-P43 HydrophobicContact CB-CG 3.97Å; M36-P43 HydrophobicContact SD-CG 4.18Å; M36-V48 HydrophobicContact SD-CG2 4.27Å; M36-V51 HydrophobicContact CE-CG2 3.96Å; M36-F70 HydrophobicContact CE-CE2 4.02Å; M36-F70 HydrophobicContact CG-CE2 3.89Å; M36-F70 HydrophobicContact CG-CZ 4.03Å; M36-M73 HydrophobicContact CE-CB 3.9Å; M36-F74 HydrophobicContact CG-CD2 4.14Å; M36-I77 HydrophobicContact CE-CG1 4.13Å; M36-I77 HydrophobicContact SD-CG1 3.82Å
37R95.1Very high94.8Very high91 Ų9139.3 Ų39.334%0.34324%0.236SC..Hα-helixtrans-66.9-41.9176-68.7174.8-168.9119.70.8112.9G33 D34 V35 L39 G40 Q41 P43 N45G33-R37 WeakPolarHBondContact O-CG 3.39Å; G33-R37 PolarHBondContact O-N 3.28Å; D34-R37 PolarHBondContact O-N 2.92Å; D34-R37 IonicContact OD1-NH1 3.65Å; V35-R37 VanDerWaalsContact C-N 3.3Å; V35-R37 PolarHBondContact O-N 3.25Å; R37-L39 PolarHBondContact O-N 3.46Å; R37-G40 PolarHBondContact O-N 3.23Å; R37-Q41 WeakPolarHBondContact CA-O 3.36Å; R37-Q41 WeakPolarHBondContact CG-O 3.32Å; R37-P43 PolarHBondContact NH2-O 2.96Å; R37-P43 VanDerWaalsContact NH2-O 3.15Å; R37-N45 PolarHBondContact NH2-OD1 2.87Å
38A94.6Very high94.8Very high64 Ų6439.8 Ų39.853%0.52924%0.239SC..Hα-helixtrans-63.2-25.517400000113.2F19 D34 V35 G40F19-A38 HydrophobicContact CE2-CB 3.76Å; F19-A38 HydrophobicContact CZ-CB 3.64Å; D34-A38 WeakPolarHBondContact O-CB 3.29Å; D34-A38 PolarHBondContact O-N 3.22Å; V35-A38 PolarHBondContact O-N 3.35Å; A38-G40 VanDerWaalsContact C-N 3.28Å
39L93.9Very high94.8Very high32 Ų3242.1 Ų42.117%0.16825%0.25CC..THydrogen-bonded Turntrans-88.212.6173.9-69.1178.9000113.7F12 A15 V35 M36 R37 F70 F74F12-L39 HydrophobicContact CB-CD1 4.21Å; F12-L39 HydrophobicContact CD1-CD1 4.12Å; F12-L39 HydrophobicContact CD1-CD2 3.68Å; F12-L39 HydrophobicContact CD1-CG 4.44Å; F12-L39 HydrophobicContact CE1-CD2 4.41Å; F12-L39 HydrophobicContact CG-CD1 4.32Å; A15-L39 HydrophobicContact CB-CD2 3.48Å; A15-L39 VanDerWaalsContact CB-CD2 3.48Å; A15-L39 HydrophobicContact CB-CG 4.35Å; V35-L39 HydrophobicContact CG1-CD1 4.17Å; V35-L39 WeakPolarHBondContact O-CB 3.44Å; V35-L39 WeakPolarHBondContact O-CG 3.46Å; V35-L39 PolarHBondContact O-N 3.45Å; M36-L39 CarbonylContact O-C 3.54Å; M36-L39 PolarHBondContact O-N 3.41Å; R37-L39 PolarHBondContact O-N 3.46Å; L39-F70 HydrophobicContact CD1-CE1 3.84Å; L39-F70 HydrophobicContact CD1-CZ 4.01Å; L39-F74 HydrophobicContact CB-CD2 4.48Å; L39-F74 HydrophobicContact CB-CE2 3.5Å; L39-F74 HydrophobicContact CB-CZ 3.67Å; L39-F74 HydrophobicContact CD1-CD2 4.08Å; L39-F74 HydrophobicContact CD1-CE1 4.39Å; L39-F74 HydrophobicContact CD1-CE2 3.79Å; L39-F74 HydrophobicContact CD1-CG 4.48Å; L39-F74 HydrophobicContact CD1-CZ 3.97Å; L39-F74 HydrophobicContact CG-CE2 4.31Å; L39-F74 HydrophobicContact CG-CZ 4.44Å
40G91.4Very high94.8Very high57 Ų5747.9 Ų47.959%0.58828%0.276SS*.THydrogen-bonded Turntrans8019.2173.600000114.8M36 R37 A38M36-G40 PolarHBondContact O-N 3.13Å; R37-G40 PolarHBondContact O-N 3.23Å; A38-G40 VanDerWaalsContact C-N 3.28Å
41Q94.1Very high94.8Very high40 Ų4047.6 Ų47.619%0.18727%0.272CS..  trans-102.7144.4171.6-58.3-56.8-5000110.6M36 R37 P43 F74 I77M36-Q41 WeakPolarHBondContact O-CB 3.33Å; M36-Q41 PolarHBondContact O-N 3.49Å; R37-Q41 WeakPolarHBondContact CA-O 3.36Å; R37-Q41 WeakPolarHBondContact CG-O 3.32Å; Q41-P43 WeakPolarHBondContact O-CD 3.45Å; Q41-F74 HydrophobicContact CB-CE2 4.33Å; Q41-F74 HydrophobicContact CG-CD2 4.24Å; Q41-F74 HydrophobicContact CG-CE2 3.38Å; Q41-F74 HydrophobicContact CG-CZ 3.84Å; Q41-I77 HydrophobicContact CB-CG2 3.92Å; Q41-I77 HydrophobicContact CG-CG2 4.32Å
42N93.4Very high94.8Very high100 Ų10047.4 Ų47.454%0.53527%0.272SS..  trans-113.361.7179.1-66.4-45.2000112.2
43P94.8Very high94.8Very high4 Ų450.2 Ų50.23%0.02630%0.3CS..  trans-70.6144.6178.331.1-34.5000111.4M36 R37 Q41 E47 V48 I77M36-P43 HydrophobicContact CB-CG 3.97Å; M36-P43 HydrophobicContact SD-CG 4.18Å; R37-P43 PolarHBondContact NH2-O 2.96Å; R37-P43 VanDerWaalsContact NH2-O 3.15Å; Q41-P43 WeakPolarHBondContact O-CD 3.45Å; P43-E47 VanDerWaalsContact CA-OE2 3.32Å; P43-E47 WeakPolarHBondContact CA-OE2 3.48Å; P43-E47 HydrophobicContact CB-CB 4.35Å; P43-V48 HydrophobicContact CB-CG2 3.89Å; P43-V48 HydrophobicContact CG-CG2 3.78Å; P43-I77 HydrophobicContact CB-CD1 4.1Å; P43-I77 HydrophobicContact CB-CG1 4.43Å; P43-I77 HydrophobicContact CB-CG2 3.81Å; P43-I77 HydrophobicContact CG-CG2 4.15Å
44V94Very high94.7Very high70 Ų7055.5 Ų55.542%0.42433%0.327SS..  trans-74.1154.6166.1-59.50000109.9A46 E47 V48V44-A46 HydrophobicContact CG2-CB 4.24Å; V44-A46 PolarHBondContact O-N 3.45Å; V44-E47 HydrophobicContact CG2-CB 4.13Å; V44-E47 HydrophobicContact CG2-CG 3.55Å; V44-E47 PolarHBondContact N-OE2 3.28Å; V44-E47 WeakPolarHBondContact O-CB 3.49Å; V44-E47 PolarHBondContact O-N 3.02Å; V44-V48 PolarHBondContact O-N 3.06Å; V44-V48 VanDerWaalsContact O-N 3.17Å
45N93.7Very high94.7Very high77 Ų7752.6 Ų52.641%0.41231%0.313SS..Hα-helixtrans-59-35.1-177.1-61.6-48000111.7R37 E47 V48 L49 E118R37-N45 PolarHBondContact NH2-OD1 2.87Å; N45-E47 VanDerWaalsContact C-N 3.3Å; N45-E47 PolarHBondContact O-N 3.34Å; N45-V48 PolarHBondContact O-N 2.9Å; N45-L49 WeakPolarHBondContact O-CG 3.36Å; N45-L49 PolarHBondContact O-N 3.45Å; N45-E118 WeakPolarHBondContact CB-OE2 3.46Å; N45-E118 VanDerWaalsContact CG-OE2 3.27Å; N45-E118 VanDerWaalsContact N-CD 3.32Å; N45-E118 PolarHBondContact N-OE1 2.89Å; N45-E118 VanDerWaalsContact N-OE1 3.13Å; N45-E118 PolarHBondContact N-OE2 3.35Å; N45-E118 PolarHBondContact ND2-OE2 2.74Å
46A93.9Very high94.6Very high56 Ų5659.6 Ų59.646%0.46334%0.343SS..Hα-helixtrans-60.5-36173.900000113.1V44 K50 E118V44-A46 HydrophobicContact CG2-CB 4.24Å; V44-A46 PolarHBondContact O-N 3.45Å; A46-K50 VanDerWaalsContact O-CB 3.3Å; A46-K50 WeakPolarHBondContact O-CB 3.07Å; A46-K50 PolarHBondContact O-N 2.99Å; A46-E118 WeakPolarHBondContact CB-OE1 3.35Å; A46-E118 PolarHBondContact N-OE1 2.65Å
47E94.6Very high94.3Very high47 Ų4764.3 Ų64.322%0.2238%0.376CS..Hα-helixtrans-71.7-42.3176.7-69.3175133.800111.4P43 V44 N45 L49 K50 V51 I77 N80P43-E47 VanDerWaalsContact CA-OE2 3.32Å; P43-E47 WeakPolarHBondContact CA-OE2 3.48Å; P43-E47 HydrophobicContact CB-CB 4.35Å; V44-E47 HydrophobicContact CG2-CB 4.13Å; V44-E47 HydrophobicContact CG2-CG 3.55Å; V44-E47 PolarHBondContact N-OE2 3.28Å; V44-E47 WeakPolarHBondContact O-CB 3.49Å; V44-E47 PolarHBondContact O-N 3.02Å; N45-E47 VanDerWaalsContact C-N 3.3Å; N45-E47 PolarHBondContact O-N 3.34Å; E47-L49 VanDerWaalsContact C-N 3.35Å; E47-L49 PolarHBondContact O-N 3.04Å; E47-K50 WeakPolarHBondContact O-CB 3.19Å; E47-K50 PolarHBondContact O-N 3.29Å; E47-K50 VanDerWaalsContact O-N 3.16Å; E47-V51 PolarHBondContact O-N 3.1Å; E47-I77 HydrophobicContact CB-CD1 3.82Å; E47-N80 PolarHBondContact OE1-ND2 3.24Å
48V95.9Very high94.2Very high9 Ų966.3 Ų66.36%0.05539%0.39CS..Hα-helixtrans-58.7-48.4174.9-179.40000110.1C32 M36 P43 V44 N45 K50 V51 L52C32-V48 HydrophobicContact CB-CG1 4.3Å; M36-V48 HydrophobicContact SD-CG2 4.27Å; P43-V48 HydrophobicContact CB-CG2 3.89Å; P43-V48 HydrophobicContact CG-CG2 3.78Å; V44-V48 PolarHBondContact O-N 3.06Å; V44-V48 VanDerWaalsContact O-N 3.17Å; N45-V48 PolarHBondContact O-N 2.9Å; V48-K50 VanDerWaalsContact C-N 3.29Å; V48-K50 PolarHBondContact O-N 3.39Å; V48-V51 WeakPolarHBondContact O-CG2 3.29Å; V48-V51 PolarHBondContact O-N 3.32Å; V48-L52 HydrophobicContact CG1-CD1 3.93Å; V48-L52 WeakPolarHBondContact O-CB 3.23Å; V48-L52 VanDerWaalsContact O-CG 3.26Å; V48-L52 WeakPolarHBondContact O-CG 3.47Å; V48-L52 PolarHBondContact O-N 3.2Å
49L95.4Very high94.1Very high63 Ų6365.9 Ų65.933%0.3338%0.376SS..Hα-helixtrans-59.8-41.4176.2-70.7174.3000111.6N45 E47 L52 G53 N54 P55 M60N45-L49 WeakPolarHBondContact O-CG 3.36Å; N45-L49 PolarHBondContact O-N 3.45Å; E47-L49 VanDerWaalsContact C-N 3.35Å; E47-L49 PolarHBondContact O-N 3.04Å; L49-L52 CarbonylContact O-C 3.58Å; L49-L52 PolarHBondContact O-N 2.75Å; L49-G53 PolarHBondContact O-N 3.11Å; L49-N54 WeakPolarHBondContact O-CA 3.31Å; L49-N54 PolarHBondContact O-N 3.29Å; L49-P55 HydrophobicContact CD2-CG 4.13Å; L49-M60 HydrophobicContact CD2-CE 4.14Å; L49-M60 HydrophobicContact CD2-SD 3.98Å
50K95.4Very high94.1Very high153 Ų15366.2 Ų66.267%0.66538%0.378SS*.Hα-helixtrans-62.8-46.2178.9-178-177.7177.2-175.10112.2A46 E47 V48 L52 G53A46-K50 VanDerWaalsContact O-CB 3.3Å; A46-K50 WeakPolarHBondContact O-CB 3.07Å; A46-K50 PolarHBondContact O-N 2.99Å; E47-K50 WeakPolarHBondContact O-CB 3.19Å; E47-K50 PolarHBondContact O-N 3.29Å; E47-K50 VanDerWaalsContact O-N 3.16Å; V48-K50 VanDerWaalsContact C-N 3.29Å; V48-K50 PolarHBondContact O-N 3.39Å; K50-L52 VanDerWaalsContact C-N 3.26Å; K50-L52 PolarHBondContact O-N 3.26Å; K50-G53 PolarHBondContact O-N 3.14Å
51V95.5Very high94Very high36 Ų3669.2 Ų69.222%0.21838%0.38CS..Hα-helixtrans-70.1-25.6178.9-60.80000112.5M36 E47 V48 G53 M73 A76 I77M36-V51 HydrophobicContact CE-CG2 3.96Å; E47-V51 PolarHBondContact O-N 3.1Å; V48-V51 WeakPolarHBondContact O-CG2 3.29Å; V48-V51 PolarHBondContact O-N 3.32Å; V51-G53 PolarHBondContact O-N 3.26Å; V51-M73 HydrophobicContact CB-CB 4.01Å; V51-M73 HydrophobicContact CB-CG 4.19Å; V51-M73 HydrophobicContact CG2-CB 4.01Å; V51-M73 HydrophobicContact CG2-CG 4.44Å; V51-A76 HydrophobicContact CG1-CB 4.3Å; V51-I77 HydrophobicContact CG1-CD1 3.89Å; V51-I77 HydrophobicContact CG1-CG1 4.25Å
52L95.9Very high93.9Very high13 Ų1372.2 Ų72.27%0.06840%0.401CS..THydrogen-bonded Turntrans-77.4-4.4170.2-68.6172.2000113.8Y29 C32 V48 L49 K50 P55 M60 M73Y29-L52 HydrophobicContact CD1-CD2 4.26Å; Y29-L52 HydrophobicContact CD2-CB 4.24Å; Y29-L52 HydrophobicContact CD2-CD1 4.24Å; Y29-L52 HydrophobicContact CD2-CD2 3.88Å; Y29-L52 HydrophobicContact CD2-CG 4.36Å; Y29-L52 HydrophobicContact CE1-CD2 4.44Å; Y29-L52 HydrophobicContact CE2-CB 4.29Å; Y29-L52 HydrophobicContact CE2-CD2 4.05Å; Y29-L52 HydrophobicContact CG-CD1 4.43Å; Y29-L52 HydrophobicContact CG-CD2 3.97Å; C32-L52 HydrophobicContact CB-CD1 4.17Å; C32-L52 HydrophobicContact CB-CD2 4.14Å; V48-L52 HydrophobicContact CG1-CD1 3.93Å; V48-L52 WeakPolarHBondContact O-CB 3.23Å; V48-L52 VanDerWaalsContact O-CG 3.26Å; V48-L52 WeakPolarHBondContact O-CG 3.47Å; V48-L52 PolarHBondContact O-N 3.2Å; L49-L52 CarbonylContact O-C 3.58Å; L49-L52 PolarHBondContact O-N 2.75Å; K50-L52 VanDerWaalsContact C-N 3.26Å; K50-L52 PolarHBondContact O-N 3.26Å; L52-P55 HydrophobicContact CB-CG 4.03Å; L52-P55 HydrophobicContact CD1-CG 4.49Å; L52-M60 HydrophobicContact CD1-CE 4.35Å; L52-M60 HydrophobicContact CD1-SD 4.34Å; L52-M73 HydrophobicContact CD2-CE 4.39Å; L52-M73 HydrophobicContact CD2-SD 3.87Å
53G95.2Very high93.9Very high58 Ų5871 Ų7160%0.59839%0.392SS*.THydrogen-bonded Turntrans8428.5179.700000114.8L49 K50 V51L49-G53 PolarHBondContact O-N 3.11Å; K50-G53 PolarHBondContact O-N 3.14Å; V51-G53 PolarHBondContact O-N 3.26Å
54N95Very high94Very high117 Ų11774.2 Ų74.263%0.62641%0.407SS*.SBendtrans5260-177.2-61-47.7000112.9L49L49-N54 WeakPolarHBondContact O-CA 3.31Å; L49-N54 PolarHBondContact O-N 3.29Å
55P94.8Very high94Very high18 Ų1870.9 Ų70.912%0.11739%0.387CS..  trans-62.6156.9178.930-37000111.4Y29 L49 L52 E59 M60Y29-P55 HydrophobicContact CD2-CB 4.09Å; Y29-P55 HydrophobicContact CD2-CG 4.1Å; Y29-P55 HydrophobicContact CE2-CB 4.37Å; L49-P55 HydrophobicContact CD2-CG 4.13Å; L52-P55 HydrophobicContact CB-CG 4.03Å; L52-P55 HydrophobicContact CD1-CG 4.49Å; P55-E59 VanDerWaalsContact CA-OE2 3.3Å; P55-E59 WeakPolarHBondContact CA-OE2 3.37Å; P55-E59 HydrophobicContact CB-CB 4.01Å; P55-E59 WeakPolarHBondContact CB-OE2 3.46Å; P55-M60 HydrophobicContact CB-SD 4.36Å; P55-M60 HydrophobicContact CG-SD 3.55Å; P55-M60 VanDerWaalsContact CG-SD 3.55Å
56K94.1Very high94.2Very high146 Ų14669.7 Ų69.764%0.63538%0.38SS*.  trans-74.3159168.4-60.1-178.1179.7178.60110.6E58 E59 M60K56-E58 WeakPolarHBondContact CB-OE2 3.4Å; K56-E58 PolarHBondContact O-N 3.26Å; K56-E59 HydrophobicContact CB-CG 4.2Å; K56-E59 PolarHBondContact N-OE2 3.24Å; K56-E59 VanDerWaalsContact N-OE2 3.14Å; K56-E59 WeakPolarHBondContact O-CB 3.49Å; K56-E59 PolarHBondContact O-N 3.16Å; K56-M60 PolarHBondContact O-N 2.89Å
57S90.3Very high94.3Very high99 Ų9967.6 Ų67.669%0.69236%0.361SS*.THydrogen-bonded Turntrans-56.8-35-179.4-54.20000113.4E59 M60S57-E59 VanDerWaalsContact C-N 3.25Å; S57-E59 PolarHBondContact O-N 3.16Å; S57-M60 PolarHBondContact O-N 3.11Å
58E91.5Very high94.4Very high134 Ų13472 Ų7263%0.62638%0.381SS*.THydrogen-bonded Turntrans-70.2-24.5177.8-53.479.7-168.400112.5K56 T62K56-E58 WeakPolarHBondContact CB-OE2 3.4Å; K56-E58 PolarHBondContact O-N 3.26Å; E58-T62 WeakPolarHBondContact O-CG2 3.4Å; E58-T62 PolarHBondContact O-OG1 3.41Å
59E92.9Very high94.4Very high54 Ų5475.8 Ų75.825%0.25240%0.398SS..THydrogen-bonded Turntrans-77.5-25.1-179.5-60.2-174.6141.200112.1P55 K56 S57 N61 T62 K63P55-E59 VanDerWaalsContact CA-OE2 3.3Å; P55-E59 WeakPolarHBondContact CA-OE2 3.37Å; P55-E59 HydrophobicContact CB-CB 4.01Å; P55-E59 WeakPolarHBondContact CB-OE2 3.46Å; K56-E59 HydrophobicContact CB-CG 4.2Å; K56-E59 PolarHBondContact N-OE2 3.24Å; K56-E59 VanDerWaalsContact N-OE2 3.14Å; K56-E59 WeakPolarHBondContact O-CB 3.49Å; K56-E59 PolarHBondContact O-N 3.16Å; S57-E59 VanDerWaalsContact C-N 3.25Å; S57-E59 PolarHBondContact O-N 3.16Å; E59-N61 PolarHBondContact O-N 2.84Å; E59-T62 WeakPolarHBondContact CA-OG1 3.4Å; E59-T62 PolarHBondContact O-N 3.16Å; E59-K63 HydrophobicContact CB-CD 4.04Å; E59-K63 HydrophobicContact CB-CG 4.18Å; E59-K63 VanDerWaalsContact CD-CE 3.44Å; E59-K63 HydrophobicContact CG-CD 4.46Å; E59-K63 WeakPolarHBondContact O-CB 3.43Å; E59-K63 PolarHBondContact O-N 2.88Å; E59-K63 VanDerWaalsContact OE1-CE 3.25Å; E59-K63 WeakPolarHBondContact OE1-CE 3.39Å; E59-K63 IonicContact OE1-NZ 3.72Å; E59-K63 PolarHBondContact OE1-NZ 3.21Å; E59-K63 IonicContact OE2-NZ 2.63Å; E59-K63 PolarHBondContact OE2-NZ 3.42Å
60M93.3Very high94.4Very high39 Ų3972.8 Ų72.819%0.19238%0.383CS..THydrogen-bonded Turntrans-58.3-34.8-178-68.3-61.1-7500113.2Y29 S30 L49 L52 P55 K56 S57Y29-M60 PolarHBondContact N-O 3.12Å; S30-M60 WeakPolarHBondContact CB-O 3.23Å; S30-M60 PolarHBondContact N-O 2.66Å; S30-M60 PolarHBondContact OG-O 2.86Å; L49-M60 HydrophobicContact CD2-CE 4.14Å; L49-M60 HydrophobicContact CD2-SD 3.98Å; L52-M60 HydrophobicContact CD1-CE 4.35Å; L52-M60 HydrophobicContact CD1-SD 4.34Å; P55-M60 HydrophobicContact CB-SD 4.36Å; P55-M60 HydrophobicContact CG-SD 3.55Å; P55-M60 VanDerWaalsContact CG-SD 3.55Å; K56-M60 PolarHBondContact O-N 2.89Å; S57-M60 PolarHBondContact O-N 3.11Å
61N90.2Very high94.4Very high120 Ų12066.2 Ų66.264%0.64236%0.355SS*.THydrogen-bonded Turntrans-104.6-2.6-177.8-64-44000113.7S30 E59S30-N61 PolarHBondContact OG-OD1 2.95Å; E59-N61 PolarHBondContact O-N 2.84Å
62T91.2Very high94.4Very high103 Ų10368 Ų6863%0.63237%0.367SS*.THydrogen-bonded Turntrans-115.5-31-176.255.70000113E58 E59E58-T62 WeakPolarHBondContact O-CG2 3.4Å; E58-T62 PolarHBondContact O-OG1 3.41Å; E59-T62 WeakPolarHBondContact CA-OG1 3.4Å; E59-T62 PolarHBondContact O-N 3.16Å
63K94.7Very high94.4Very high76 Ų7669 Ų6933%0.3337%0.372SS..  trans-82.1137173.9-70.1-171.9-178.3163.80110.4S28 Y29 E59S28-K63 WeakPolarHBondContact CA-O 3.42Å; Y29-K63 HydrophobicContact CD1-CB 3.64Å; Y29-K63 WeakPolarHBondContact CD1-O 3.44Å; Y29-K63 HydrophobicContact CD2-CB 4.07Å; Y29-K63 HydrophobicContact CD2-CD 4.34Å; Y29-K63 HydrophobicContact CE1-CB 3.64Å; Y29-K63 HydrophobicContact CE2-CB 4.1Å; Y29-K63 HydrophobicContact CE2-CD 3.82Å; Y29-K63 HydrophobicContact CG-CB 3.87Å; Y29-K63 PolarHBondContact N-O 3.21Å; E59-K63 HydrophobicContact CB-CD 4.04Å; E59-K63 HydrophobicContact CB-CG 4.18Å; E59-K63 VanDerWaalsContact CD-CE 3.44Å; E59-K63 HydrophobicContact CG-CD 4.46Å; E59-K63 WeakPolarHBondContact O-CB 3.43Å; E59-K63 PolarHBondContact O-N 2.88Å; E59-K63 VanDerWaalsContact OE1-CE 3.25Å; E59-K63 WeakPolarHBondContact OE1-CE 3.39Å; E59-K63 IonicContact OE1-NZ 3.72Å; E59-K63 PolarHBondContact OE1-NZ 3.21Å; E59-K63 IonicContact OE2-NZ 2.63Å; E59-K63 PolarHBondContact OE2-NZ 3.42Å
64M95.6Very high94.4Very high70 Ų7066.3 Ų66.335%0.34534%0.344SS..EExtended strand (participates in β ladder)trans-108.2146.7176.3-58.9-62.5-74.400109.3K26 I27K26-M64 HydrophobicContact CB-CB 4.16Å; K26-M64 HydrophobicContact CB-CE 3.81Å; K26-M64 HydrophobicContact CD-CB 3.94Å; I27-M64 CarbonylContact O-C 3.51Å; I27-M64 VanDerWaalsContact O-CA 3.3Å; I27-M64 WeakPolarHBondContact O-CA 3.3Å
65L95.9Very high94.4Very high0 Ų062.1 Ų62.10%032%0.32CS..EExtended strand (participates in β ladder)trans-119130.1179.9-169.483.1000107.9F16 K26 I27 Y29 Q69 F70 M73F16-L65 WeakPolarHBondContact CZ-O 3.35Å; K26-L65 VanDerWaalsContact CA-O 3.23Å; K26-L65 WeakPolarHBondContact CA-O 2.81Å; K26-L65 WeakPolarHBondContact CB-O 3.38Å; I27-L65 HydrophobicContact CD1-CD2 4.34Å; I27-L65 HydrophobicContact CG1-CB 4.13Å; I27-L65 HydrophobicContact CG1-CD2 4.39Å; I27-L65 PolarHBondContact N-O 3.1Å; I27-L65 PolarHBondContact O-N 3.38Å; Y29-L65 HydrophobicContact CD1-CB 4.21Å; Y29-L65 HydrophobicContact CE1-CB 4.15Å; Y29-L65 HydrophobicContact CE1-CD1 4.04Å; L65-Q69 HydrophobicContact CD1-CB 3.58Å; L65-Q69 HydrophobicContact CG-CB 4.04Å; L65-F70 HydrophobicContact CD2-CB 3.59Å; L65-F70 HydrophobicContact CD2-CD2 3.74Å; L65-F70 HydrophobicContact CD2-CG 4.15Å; L65-F70 HydrophobicContact CG-CB 4.27Å; L65-M73 HydrophobicContact CD1-CE 3.65Å; L65-M73 HydrophobicContact CD1-SD 3.95Å; L65-M73 HydrophobicContact CD2-SD 4.33Å
66D97.1Very high94.3Very high52 Ų5263.9 Ų63.928%0.27834%0.336SS..EExtended strand (participates in β ladder)trans-90.8169.8167.96643.6000111.6K26 E68 Q69 F70K26-D66 HydrophobicContact CG-CB 4.21Å; D66-E68 VanDerWaalsContact C-N 3.32Å; D66-E68 PolarHBondContact O-N 3.15Å; D66-E68 PolarHBondContact OD1-N 3.06Å; D66-E68 VanDerWaalsContact OD1-N 3.1Å; D66-Q69 PolarHBondContact O-N 2.95Å; D66-Q69 VanDerWaalsContact OD1-CG 3.25Å; D66-Q69 WeakPolarHBondContact OD1-CG 3.25Å; D66-Q69 PolarHBondContact OD1-N 3.48Å; D66-F70 PolarHBondContact O-N 2.73Å
67F96.4Very high94.3Very high13 Ų1357.2 Ų57.26%0.05731%0.307CS..Hα-helixtrans-63.5-35.3-177.3-177-103.4000113.5I9 F12 K13 F16 Q69 F70 L71I9-F67 HydrophobicContact CG2-CE1 3.82Å; I9-F67 HydrophobicContact CG2-CZ 4.06Å; I9-F67 WeakPolarHBondContact O-CZ 3.45Å; F12-F67 HydrophobicContact CB-CE2 4.03Å; F12-F67 HydrophobicContact CB-CZ 4.08Å; K13-F67 VanDerWaalsContact CA-CE2 3.4Å; K13-F67 HydrophobicContact CB-CD1 4.27Å; K13-F67 HydrophobicContact CB-CD2 4.13Å; K13-F67 HydrophobicContact CB-CE1 3.93Å; K13-F67 HydrophobicContact CB-CE2 3.8Å; K13-F67 HydrophobicContact CB-CG 4.35Å; K13-F67 HydrophobicContact CB-CZ 3.68Å; K13-F67 HydrophobicContact CD-CD1 4.13Å; K13-F67 HydrophobicContact CD-CE1 4.32Å; K13-F67 HydrophobicContact CG-CD1 4.13Å; K13-F67 HydrophobicContact CG-CD2 4.22Å; K13-F67 HydrophobicContact CG-CE1 4.28Å; K13-F67 HydrophobicContact CG-CE2 4.38Å; K13-F67 HydrophobicContact CG-CG 4.08Å; K13-F67 HydrophobicContact CG-CZ 4.4Å; F16-F67 HydrophobicContact CB-CD2 3.89Å; F16-F67 HydrophobicContact CB-CE2 4.31Å; F16-F67 HydrophobicContact CD1-CB 4.27Å; F16-F67 HydrophobicContact CD1-CD2 4.27Å; F16-F67 HydrophobicContact CD2-CD2 4.14Å; F16-F67 HydrophobicContact CE1-CB 4.25Å; F16-F67 AromaticContact CG-CD2 3.86Å; F16-F67 HydrophobicContact CG-CD2 3.86Å; F67-Q69 VanDerWaalsContact C-N 3.26Å; F67-Q69 PolarHBondContact O-N 2.83Å; F67-F70 HydrophobicContact CD2-CD1 4.32Å; F67-F70 HydrophobicContact CE2-CD1 4.33Å; F67-F70 PolarHBondContact O-N 3.2Å; F67-L71 HydrophobicContact CE1-CB 4.44Å; F67-L71 HydrophobicContact CE1-CD2 4.3Å; F67-L71 HydrophobicContact CZ-CB 4.44Å; F67-L71 HydrophobicContact CZ-CD1 4.3Å; F67-L71 WeakPolarHBondContact O-CB 3.3Å; F67-L71 PolarHBondContact O-N 3.26Å
68E95.3Very high94.4Very high139 Ų13954 Ų5465%0.6529%0.287SS*.Hα-helixtrans-67.2-31.6179.6-62.9-63.1141.700111.3D66 P72D66-E68 VanDerWaalsContact C-N 3.32Å; D66-E68 PolarHBondContact O-N 3.15Å; D66-E68 PolarHBondContact OD1-N 3.06Å; D66-E68 VanDerWaalsContact OD1-N 3.1Å; E68-P72 WeakPolarHBondContact O-CD 3.33Å
69Q95.8Very high94.3Very high88 Ų8853.6 Ų53.641%0.41128%0.283SS..Hα-helixtrans-76.9-36.2172-66.4172.2-37.600112.6L65 D66 F67L65-Q69 HydrophobicContact CD1-CB 3.58Å; L65-Q69 HydrophobicContact CG-CB 4.04Å; D66-Q69 PolarHBondContact O-N 2.95Å; D66-Q69 VanDerWaalsContact OD1-CG 3.25Å; D66-Q69 WeakPolarHBondContact OD1-CG 3.25Å; D66-Q69 PolarHBondContact OD1-N 3.48Å; F67-Q69 VanDerWaalsContact C-N 3.26Å; F67-Q69 PolarHBondContact O-N 2.83Å
70F96.8Very high94Very high0 Ų053.5 Ų53.50%028%0.284CS..Hα-helixtrans-68.2-44.9179.5176.1-101.3000113F16 V35 M36 L39 L65 D66 F67 M73 F74F16-F70 HydrophobicContact CD2-CB 4.12Å; F16-F70 AromaticContact CD2-CD1 3.87Å; F16-F70 HydrophobicContact CD2-CD1 3.87Å; F16-F70 HydrophobicContact CD2-CD2 4.3Å; F16-F70 HydrophobicContact CD2-CE1 4.38Å; F16-F70 AromaticContact CD2-CG 3.83Å; F16-F70 HydrophobicContact CD2-CG 3.83Å; F16-F70 HydrophobicContact CE2-CB 3.72Å; F16-F70 HydrophobicContact CE2-CD1 4.33Å; F16-F70 HydrophobicContact CE2-CD2 4.23Å; F16-F70 AromaticContact CE2-CG 3.84Å; F16-F70 HydrophobicContact CE2-CG 3.84Å; V35-F70 HydrophobicContact CB-CE2 4.1Å; V35-F70 HydrophobicContact CB-CZ 4.1Å; V35-F70 HydrophobicContact CG1-CE1 4.06Å; V35-F70 HydrophobicContact CG1-CE2 3.96Å; V35-F70 HydrophobicContact CG1-CZ 3.52Å; M36-F70 HydrophobicContact CE-CE2 4.02Å; M36-F70 HydrophobicContact CG-CE2 3.89Å; M36-F70 HydrophobicContact CG-CZ 4.03Å; L39-F70 HydrophobicContact CD1-CE1 3.84Å; L39-F70 HydrophobicContact CD1-CZ 4.01Å; L65-F70 HydrophobicContact CD2-CB 3.59Å; L65-F70 HydrophobicContact CD2-CD2 3.74Å; L65-F70 HydrophobicContact CD2-CG 4.15Å; L65-F70 HydrophobicContact CG-CB 4.27Å; D66-F70 PolarHBondContact O-N 2.73Å; F67-F70 HydrophobicContact CD2-CD1 4.32Å; F67-F70 HydrophobicContact CE2-CD1 4.33Å; F67-F70 PolarHBondContact O-N 3.2Å; F70-M73 WeakPolarHBondContact O-CA 3.42Å; F70-M73 WeakPolarHBondContact O-CB 3.34Å; F70-M73 PolarHBondContact O-N 3.14Å; F70-F74 HydrophobicContact CD1-CB 4.28Å; F70-F74 HydrophobicContact CE1-CB 3.76Å; F70-F74 HydrophobicContact CE1-CD2 4.33Å; F70-F74 HydrophobicContact CE1-CG 4.08Å; F70-F74 HydrophobicContact CZ-CB 3.93Å; F70-F74 HydrophobicContact CZ-CD2 4.06Å; F70-F74 HydrophobicContact CZ-CG 4.21Å; F70-F74 PolarHBondContact O-N 2.93Å
71L95.8Very high93.3Very high16 Ų1661 Ų618%0.08432%0.316CS..Hα-helixtrans-56.9-43.8-170.2179.665.9000113.6F4 I9 F12 F67 M73 F74 Q75F4-L71 HydrophobicContact CD2-CD1 4.04Å; F4-L71 HydrophobicContact CE2-CD1 4.37Å; I9-L71 HydrophobicContact CD1-CD2 4.44Å; I9-L71 HydrophobicContact CG1-CD2 4.3Å; I9-L71 HydrophobicContact CG2-CD2 4.16Å; F12-L71 HydrophobicContact CD2-CD1 4.23Å; F67-L71 HydrophobicContact CE1-CB 4.44Å; F67-L71 HydrophobicContact CE1-CD2 4.3Å; F67-L71 HydrophobicContact CZ-CB 4.44Å; F67-L71 HydrophobicContact CZ-CD1 4.3Å; F67-L71 WeakPolarHBondContact O-CB 3.3Å; F67-L71 PolarHBondContact O-N 3.26Å; L71-M73 VanDerWaalsContact C-N 3.33Å; L71-M73 PolarHBondContact O-N 3.26Å; L71-F74 PolarHBondContact O-N 3.36Å; L71-Q75 VanDerWaalsContact O-CG 3.32Å; L71-Q75 WeakPolarHBondContact O-CG 3.49Å; L71-Q75 PolarHBondContact O-N 2.93Å
72P94.6Very high93Very high73 Ų7361.9 Ų61.947%0.47432%0.321SS..Hα-helixtrans-63.9-34.2173.5-22.734000113.9E68 Q75 A76E68-P72 WeakPolarHBondContact O-CD 3.33Å; P72-Q75 PolarHBondContact O-N 3Å; P72-A76 PolarHBondContact O-N 3.46Å; P72-A76 VanDerWaalsContact O-N 3.13Å
73M95.7Very high92.6Very high33 Ų3360.5 Ų60.516%0.16331%0.307CS..Hα-helixtrans-67.5-45.7176.6-59.6176.6-174.400110.4M36 V51 L52 L65 F70 L71 Q75 A76 I77M36-M73 HydrophobicContact CE-CB 3.9Å; V51-M73 HydrophobicContact CB-CB 4.01Å; V51-M73 HydrophobicContact CB-CG 4.19Å; V51-M73 HydrophobicContact CG2-CB 4.01Å; V51-M73 HydrophobicContact CG2-CG 4.44Å; L52-M73 HydrophobicContact CD2-CE 4.39Å; L52-M73 HydrophobicContact CD2-SD 3.87Å; L65-M73 HydrophobicContact CD1-CE 3.65Å; L65-M73 HydrophobicContact CD1-SD 3.95Å; L65-M73 HydrophobicContact CD2-SD 4.33Å; F70-M73 WeakPolarHBondContact O-CA 3.42Å; F70-M73 WeakPolarHBondContact O-CB 3.34Å; F70-M73 PolarHBondContact O-N 3.14Å; L71-M73 VanDerWaalsContact C-N 3.33Å; L71-M73 PolarHBondContact O-N 3.26Å; M73-Q75 VanDerWaalsContact C-N 3.34Å; M73-Q75 PolarHBondContact O-N 3.17Å; M73-A76 WeakPolarHBondContact O-CB 3.44Å; M73-A76 PolarHBondContact O-N 2.98Å; M73-A76 VanDerWaalsContact O-N 3.16Å; M73-I77 PolarHBondContact O-N 3.21Å; M73-I77 VanDerWaalsContact O-N 3.16Å
74F95.7Very high92.4Very high3 Ų358.6 Ų58.61%0.01331%0.308CS..Hα-helixtrans-59.8-42.8175-178.6-109.1000111.9F4 F12 M36 L39 Q41 F70 L71 A76 I77 A78F4-F74 AromaticContact CE2-CD1 3.67Å; F4-F74 HydrophobicContact CE2-CD1 3.67Å; F4-F74 AromaticContact CE2-CE1 3.9Å; F4-F74 HydrophobicContact CE2-CE1 3.9Å; F4-F74 AromaticContact CZ-CD1 3.88Å; F4-F74 HydrophobicContact CZ-CD1 3.88Å; F4-F74 AromaticContact CZ-CE1 3.69Å; F4-F74 HydrophobicContact CZ-CE1 3.69Å; F12-F74 HydrophobicContact CD1-CE1 4.27Å; F12-F74 HydrophobicContact CD2-CD1 4.23Å; F12-F74 AromaticContact CD2-CE1 3.96Å; F12-F74 HydrophobicContact CD2-CE1 3.96Å; F12-F74 AromaticContact CE1-CE1 4Å; F12-F74 HydrophobicContact CE1-CE1 4Å; F12-F74 HydrophobicContact CE1-CZ 4.31Å; F12-F74 HydrophobicContact CE2-CD1 4.24Å; F12-F74 AromaticContact CE2-CE1 3.68Å; F12-F74 HydrophobicContact CE2-CE1 3.68Å; F12-F74 HydrophobicContact CG-CE1 4.26Å; F12-F74 AromaticContact CZ-CE1 3.7Å; F12-F74 HydrophobicContact CZ-CE1 3.7Å; F12-F74 HydrophobicContact CZ-CZ 4.36Å; M36-F74 HydrophobicContact CG-CD2 4.14Å; L39-F74 HydrophobicContact CB-CD2 4.48Å; L39-F74 HydrophobicContact CB-CE2 3.5Å; L39-F74 HydrophobicContact CB-CZ 3.67Å; L39-F74 HydrophobicContact CD1-CD2 4.08Å; L39-F74 HydrophobicContact CD1-CE1 4.39Å; L39-F74 HydrophobicContact CD1-CE2 3.79Å; L39-F74 HydrophobicContact CD1-CG 4.48Å; L39-F74 HydrophobicContact CD1-CZ 3.97Å; L39-F74 HydrophobicContact CG-CE2 4.31Å; L39-F74 HydrophobicContact CG-CZ 4.44Å; Q41-F74 HydrophobicContact CB-CE2 4.33Å; Q41-F74 HydrophobicContact CG-CD2 4.24Å; Q41-F74 HydrophobicContact CG-CE2 3.38Å; Q41-F74 HydrophobicContact CG-CZ 3.84Å; F70-F74 HydrophobicContact CD1-CB 4.28Å; F70-F74 HydrophobicContact CE1-CB 3.76Å; F70-F74 HydrophobicContact CE1-CD2 4.33Å; F70-F74 HydrophobicContact CE1-CG 4.08Å; F70-F74 HydrophobicContact CZ-CB 3.93Å; F70-F74 HydrophobicContact CZ-CD2 4.06Å; F70-F74 HydrophobicContact CZ-CG 4.21Å; F70-F74 PolarHBondContact O-N 2.93Å; L71-F74 PolarHBondContact O-N 3.36Å; F74-A76 VanDerWaalsContact C-N 3.3Å; F74-A76 PolarHBondContact O-N 3.15Å; F74-I77 PolarHBondContact O-N 3.42Å; F74-A78 WeakPolarHBondContact O-CB 3.41Å; F74-A78 PolarHBondContact O-N 2.99Å
75Q94Very high92.2Very high29 Ų2957.3 Ų57.314%0.13631%0.307CS..Hα-helixtrans-58.9-38.8174.4-76.5170.816.800113.1S2 F4 L71 P72 M73 K79S2-Q75 VanDerWaalsContact CA-NE2 3.34Å; F4-Q75 HydrophobicContact CD2-CG 3.63Å; F4-Q75 HydrophobicContact CE2-CB 4.23Å; F4-Q75 HydrophobicContact CE2-CG 3.2Å; F4-Q75 HydrophobicContact CZ-CG 4.11Å; L71-Q75 VanDerWaalsContact O-CG 3.32Å; L71-Q75 WeakPolarHBondContact O-CG 3.49Å; L71-Q75 PolarHBondContact O-N 2.93Å; P72-Q75 PolarHBondContact O-N 3Å; M73-Q75 VanDerWaalsContact C-N 3.34Å; M73-Q75 PolarHBondContact O-N 3.17Å; Q75-K79 VanDerWaalsContact O-CG 3.29Å; Q75-K79 WeakPolarHBondContact O-CG 3.26Å; Q75-K79 PolarHBondContact O-N 3.31Å
76A93.3Very high92.1Very high54 Ų5459.6 Ų59.645%0.44632%0.318SS..Hα-helixtrans-65.9-41.7178.400000111.4V51 P72 M73 F74V51-A76 HydrophobicContact CG1-CB 4.3Å; P72-A76 PolarHBondContact O-N 3.46Å; P72-A76 VanDerWaalsContact O-N 3.13Å; M73-A76 WeakPolarHBondContact O-CB 3.44Å; M73-A76 PolarHBondContact O-N 2.98Å; M73-A76 VanDerWaalsContact O-N 3.16Å; F74-A76 VanDerWaalsContact C-N 3.3Å; F74-A76 PolarHBondContact O-N 3.15Å
77I94.3Very high91.9Very high6 Ų663.1 Ų63.13%0.03133%0.333CS..Hα-helixtrans-66.6-47.5175.9-64.2-56.1000111.3M36 Q41 P43 E47 V51 M73 F74 K79 N80M36-I77 HydrophobicContact CE-CG1 4.13Å; M36-I77 HydrophobicContact SD-CG1 3.82Å; Q41-I77 HydrophobicContact CB-CG2 3.92Å; Q41-I77 HydrophobicContact CG-CG2 4.32Å; P43-I77 HydrophobicContact CB-CD1 4.1Å; P43-I77 HydrophobicContact CB-CG1 4.43Å; P43-I77 HydrophobicContact CB-CG2 3.81Å; P43-I77 HydrophobicContact CG-CG2 4.15Å; E47-I77 HydrophobicContact CB-CD1 3.82Å; V51-I77 HydrophobicContact CG1-CD1 3.89Å; V51-I77 HydrophobicContact CG1-CG1 4.25Å; M73-I77 PolarHBondContact O-N 3.21Å; M73-I77 VanDerWaalsContact O-N 3.16Å; F74-I77 PolarHBondContact O-N 3.42Å; I77-K79 PolarHBondContact O-N 2.95Å; I77-K79 VanDerWaalsContact O-N 3.11Å; I77-N80 WeakPolarHBondContact O-CB 3.32Å; I77-N80 PolarHBondContact O-N 3.3Å
78A91.8Very high91.8Very high31 Ų3167.4 Ų67.426%0.25636%0.356SS..Hα-helixtrans-63-20.9-178.700000113.8F4 F74F4-A78 HydrophobicContact CZ-CB 3.98Å; F74-A78 WeakPolarHBondContact O-CB 3.41Å; F74-A78 PolarHBondContact O-N 2.99Å
79K90Very high91.8Very high126 Ų12665.4 Ų65.455%0.54835%0.345SS..THydrogen-bonded Turntrans-81.2-16.9173.7-75.8175.7-177.6-174.40113.3D3 Q75 I77 K81D3-K79 WeakPolarHBondContact OD2-CE 3.41Å; D3-K79 IonicContact OD2-NZ 2.74Å; D3-K79 PolarHBondContact OD2-NZ 3.29Å; Q75-K79 VanDerWaalsContact O-CG 3.29Å; Q75-K79 WeakPolarHBondContact O-CG 3.26Å; Q75-K79 PolarHBondContact O-N 3.31Å; I77-K79 PolarHBondContact O-N 2.95Å; I77-K79 VanDerWaalsContact O-N 3.11Å; K79-K81 PolarHBondContact O-N 3.05Å
80N87.1Confident91.8Very high52 Ų5261.9 Ų61.928%0.27833%0.33SS..  trans-75.1111.1176.2-169.75.6000109.7E47 I77 D82E47-N80 PolarHBondContact OE1-ND2 3.24Å; I77-N80 WeakPolarHBondContact O-CB 3.32Å; I77-N80 PolarHBondContact O-N 3.3Å; N80-D82 WeakPolarHBondContact OD1-CB 3.4Å; N80-D82 PolarHBondContact OD1-N 3.43Å
81K79Confident91.7Very high197 Ų19766.4 Ų66.486%0.85735%0.351SS*.  trans-96.6-2.7178-62.3-169.5176.9-171.40113.2K79 Q83K79-K81 PolarHBondContact O-N 3.05Å; K81-Q83 PolarHBondContact O-N 2.78Å
82D84Confident91.6Very high139 Ų13967.5 Ų67.574%0.74337%0.366SS*.  trans-92.369.5-176.2-165.319.9000110.4N80N80-D82 WeakPolarHBondContact OD1-CB 3.4Å; N80-D82 PolarHBondContact OD1-N 3.43Å
83Q82.9Confident91.5Very high74 Ų7465.2 Ų65.235%0.34635%0.35SS..SBendtrans-105.16.2-177.8-66.1-170.7-4.200113.6K81 F89K81-Q83 PolarHBondContact O-N 2.78Å; Q83-F89 WeakPolarHBondContact O-CZ 3.21Å
84G88.6Confident91.5Very high35 Ų3569 Ų6936%0.36136%0.362SS..  trans78.9146.6-174.300000113.2
85S92.8Very high91.3Very high44 Ų4474.5 Ų74.531%0.30840%0.396SS..  trans-88.6164.9174.265.50000111.6E87 D88 F89S85-E87 WeakPolarHBondContact CB-OE2 3.3Å; S85-E87 PolarHBondContact O-N 3.49Å; S85-E87 PolarHBondContact OG-OE2 3.35Å; S85-D88 WeakPolarHBondContact CB-OD2 3.45Å; S85-D88 PolarHBondContact N-OD2 3.44Å; S85-D88 WeakPolarHBondContact O-CB 3.46Å; S85-D88 PolarHBondContact O-N 3.37Å; S85-D88 VanDerWaalsContact O-N 3.08Å; S85-D88 PolarHBondContact OG-N 3.05Å; S85-D88 PolarHBondContact OG-OD2 2.8Å; S85-F89 WeakPolarHBondContact O-CD2 3.4Å; S85-F89 PolarHBondContact O-N 2.69Å
86M92.4Very high91.2Very high48 Ų4875.3 Ų75.324%0.23640%0.399CS..Hα-helixtrans-55.8-40.1172.9179.3173.1-179.800110.8D88 F89 V90 E142 V145 R146 M149M86-D88 VanDerWaalsContact C-N 3.35Å; M86-D88 PolarHBondContact O-N 3.17Å; M86-F89 PolarHBondContact O-N 2.94Å; M86-V90 HydrophobicContact CE-CG2 4.43Å; M86-V90 HydrophobicContact CG-CG2 4.28Å; M86-V90 WeakPolarHBondContact O-CB 3.47Å; M86-V90 VanDerWaalsContact O-CG2 3.26Å; M86-V90 WeakPolarHBondContact O-CG2 3.43Å; M86-V90 PolarHBondContact O-N 3.5Å; M86-E142 HydrophobicContact CE-CG 3.8Å; M86-V145 HydrophobicContact CG-CG1 3.98Å; M86-R146 HydrophobicContact CE-CB 3.95Å; M86-M149 HydrophobicContact CB-CE 4.35Å; M86-M149 HydrophobicContact CB-SD 3.78Å; M86-M149 HydrophobicContact CG-SD 4.22Å
87E94Very high91.3Very high126 Ų12673.6 Ų73.659%0.58938%0.382SS*.Hα-helixtrans-60.5-43176.7-65.676.5-170.100111.6S85 F89 V90 E91S85-E87 WeakPolarHBondContact CB-OE2 3.3Å; S85-E87 PolarHBondContact O-N 3.49Å; S85-E87 PolarHBondContact OG-OE2 3.35Å; E87-F89 PolarHBondContact O-N 3.16Å; E87-V90 PolarHBondContact O-N 3.22Å; E87-E91 WeakPolarHBondContact O-CB 3.39Å; E87-E91 WeakPolarHBondContact O-CG 3.43Å; E87-E91 PolarHBondContact O-N 2.92Å
88D94.6Very high91.1Very high102 Ų10281 Ų8155%0.54541%0.414SS..Hα-helixtrans-61.6-43.7178.3-61.9-47.4000111.7S85 M86 G92S85-D88 WeakPolarHBondContact CB-OD2 3.45Å; S85-D88 PolarHBondContact N-OD2 3.44Å; S85-D88 WeakPolarHBondContact O-CB 3.46Å; S85-D88 PolarHBondContact O-N 3.37Å; S85-D88 VanDerWaalsContact O-N 3.08Å; S85-D88 PolarHBondContact OG-N 3.05Å; S85-D88 PolarHBondContact OG-OD2 2.8Å; M86-D88 VanDerWaalsContact C-N 3.35Å; M86-D88 PolarHBondContact O-N 3.17Å; D88-G92 PolarHBondContact O-N 3.46Å
89F94.6Very high91Very high97 Ų9787.3 Ų87.343%0.42544%0.438SS..Hα-helixtrans-67-41.8177.7-70.9-68.3000112.4Q83 S85 M86 E87 G92 L93 V145 M149Q83-F89 WeakPolarHBondContact O-CZ 3.21Å; S85-F89 WeakPolarHBondContact O-CD2 3.4Å; S85-F89 PolarHBondContact O-N 2.69Å; M86-F89 PolarHBondContact O-N 2.94Å; E87-F89 PolarHBondContact O-N 3.16Å; F89-G92 PolarHBondContact O-N 3Å; F89-L93 PolarHBondContact O-N 3.01Å; F89-V145 HydrophobicContact CB-CG1 3.69Å; F89-V145 HydrophobicContact CB-CG2 3.9Å; F89-V145 HydrophobicContact CG-CG1 4.44Å; F89-M149 HydrophobicContact CD2-CE 4.35Å; F89-M149 HydrophobicContact CD2-SD 3.97Å; F89-M149 HydrophobicContact CE2-CE 4.36Å; F89-M149 HydrophobicContact CE2-SD 4.44Å
90V95.3Very high91.1Very high14 Ų1484.4 Ų84.49%0.08544%0.444CS..Hα-helixtrans-65.1-45.4178.4169.90000111M86 E87 G92 L93 R94 Y141 E142 V145M86-V90 HydrophobicContact CE-CG2 4.43Å; M86-V90 HydrophobicContact CG-CG2 4.28Å; M86-V90 WeakPolarHBondContact O-CB 3.47Å; M86-V90 VanDerWaalsContact O-CG2 3.26Å; M86-V90 WeakPolarHBondContact O-CG2 3.43Å; M86-V90 PolarHBondContact O-N 3.5Å; E87-V90 PolarHBondContact O-N 3.22Å; V90-G92 VanDerWaalsContact C-N 3.32Å; V90-G92 PolarHBondContact O-N 2.98Å; V90-L93 PolarHBondContact O-N 3.5Å; V90-R94 WeakPolarHBondContact O-CB 3.36Å; V90-R94 PolarHBondContact O-N 3.39Å; V90-Y141 HydrophobicContact CG1-CD2 4.11Å; V90-Y141 HydrophobicContact CG1-CE2 3.86Å; V90-E142 HydrophobicContact CG2-CG 4.26Å; V90-V145 HydrophobicContact CG2-CB 4.23Å; V90-V145 HydrophobicContact CG2-CG1 4.24Å; V90-V145 HydrophobicContact CG2-CG2 4.29Å
91E94.5Very high91.4Very high95 Ų9585.9 Ų85.944%0.44445%0.452SS..Hα-helixtrans-64.3-37.3176.2-69.3-58.4145.700111.7E87 L93 R94E87-E91 WeakPolarHBondContact O-CB 3.39Å; E87-E91 WeakPolarHBondContact O-CG 3.43Å; E87-E91 PolarHBondContact O-N 2.92Å; E91-L93 PolarHBondContact O-N 3.05Å; E91-R94 PolarHBondContact O-N 3.49Å; E91-R94 IonicContact OE1-CZ 3.97Å; E91-R94 IonicContact OE1-NH1 3.76Å; E91-R94 PolarHBondContact OE1-NH1 3.48Å; E91-R94 IonicContact OE1-NH2 3.87Å; E91-R94 PolarHBondContact OE1-NH2 3.17Å; E91-R94 VanDerWaalsContact OE1-NH2 3.16Å; E91-R94 IonicContact OE2-CZ 3.35Å; E91-R94 IonicContact OE2-NH1 3.51Å; E91-R94 PolarHBondContact OE2-NH1 3.07Å
92G93.4Very high92.2Very high39 Ų3977.4 Ų77.440%0.40242%0.42SS..Hα-helixtrans-59.7-42.5174.200000113D88 F89 V90D88-G92 PolarHBondContact O-N 3.46Å; F89-G92 PolarHBondContact O-N 3Å; V90-G92 VanDerWaalsContact C-N 3.32Å; V90-G92 PolarHBondContact O-N 2.98Å
93L94.1Very high92.8Very high26 Ų2672.3 Ų72.314%0.13640%0.395CS..Hα-helixtrans-76.8-29.2178-68.4177.4000113.2F89 V90 E91 V95 F96 L109 Y141 F144 V145F89-L93 PolarHBondContact O-N 3.01Å; V90-L93 PolarHBondContact O-N 3.5Å; E91-L93 PolarHBondContact O-N 3.05Å; L93-V95 PolarHBondContact O-N 3.36Å; L93-V95 VanDerWaalsContact O-N 3.16Å; L93-F96 WeakPolarHBondContact O-CD2 3.31Å; L93-F96 PolarHBondContact O-N 2.92Å; L93-L109 HydrophobicContact CD2-CD1 3.6Å; L93-Y141 HydrophobicContact CB-CD2 4.23Å; L93-Y141 HydrophobicContact CB-CG 4.1Å; L93-F144 HydrophobicContact CD1-CD1 4.3Å; L93-V145 HydrophobicContact CD1-CG2 3.63Å
94R94.3Very high93.4Very high113 Ų11369 Ų6943%0.42638%0.38SS..Hα-helixtrans-59.2-26.8177.2-174.8-178.1-701587.6112.7V90 E91 F96 D97 Y141V90-R94 WeakPolarHBondContact O-CB 3.36Å; V90-R94 PolarHBondContact O-N 3.39Å; E91-R94 PolarHBondContact O-N 3.49Å; E91-R94 IonicContact OE1-CZ 3.97Å; E91-R94 IonicContact OE1-NH1 3.76Å; E91-R94 PolarHBondContact OE1-NH1 3.48Å; E91-R94 IonicContact OE1-NH2 3.87Å; E91-R94 PolarHBondContact OE1-NH2 3.17Å; E91-R94 VanDerWaalsContact OE1-NH2 3.16Å; E91-R94 IonicContact OE2-CZ 3.35Å; E91-R94 IonicContact OE2-NH1 3.51Å; E91-R94 PolarHBondContact OE2-NH1 3.07Å; R94-F96 PolarHBondContact O-N 3.19Å; R94-D97 WeakPolarHBondContact O-CB 3.36Å; R94-D97 PolarHBondContact O-N 2.94Å; R94-Y141 HydrophobicContact CB-CE2 4.39Å
95V93.1Very high93.7Very high117 Ų11771.9 Ų71.971%0.70939%0.385SS*.THydrogen-bonded Turntrans-57-24.4175.5-178.30000112.3L93L93-V95 PolarHBondContact O-N 3.36Å; L93-V95 VanDerWaalsContact O-N 3.16Å
96F91.8Very high93.8Very high47 Ų4769.8 Ų69.821%0.20637%0.37CS..THydrogen-bonded Turntrans-95.3-9.4178.4-53.1-74000113.6L93 R94 K98 V104 E108 V112 L116L93-F96 WeakPolarHBondContact O-CD2 3.31Å; L93-F96 PolarHBondContact O-N 2.92Å; R94-F96 PolarHBondContact O-N 3.19Å; F96-K98 PolarHBondContact O-N 2.7Å; F96-K98 VanDerWaalsContact O-N 3.08Å; F96-V104 HydrophobicContact CB-CG1 3.88Å; F96-E108 HydrophobicContact CB-CG 4.49Å; F96-E108 HydrophobicContact CD1-CG 4.42Å; F96-V112 HydrophobicContact CD1-CG2 3.83Å; F96-V112 HydrophobicContact CD2-CG2 4.46Å; F96-V112 HydrophobicContact CE1-CG2 3.36Å; F96-V112 HydrophobicContact CE2-CG1 3.99Å; F96-V112 HydrophobicContact CE2-CG2 4.07Å; F96-V112 HydrophobicContact CG-CG2 4.36Å; F96-V112 HydrophobicContact CZ-CB 4.33Å; F96-V112 HydrophobicContact CZ-CG1 3.83Å; F96-V112 HydrophobicContact CZ-CG2 3.5Å; F96-L116 HydrophobicContact CZ-CD1 4.36Å
97D94.3Very high93.8Very high17 Ų1770.6 Ų70.69%0.09138%0.384CS..  trans-81.385.4176.1-178.41.9000110.2R94 E99 G100 N101 G102 V104 Y141R94-D97 WeakPolarHBondContact O-CB 3.36Å; R94-D97 PolarHBondContact O-N 2.94Å; D97-E99 PolarHBondContact O-N 2.78Å; D97-E99 PolarHBondContact OD1-N 3.07Å; D97-G100 PolarHBondContact O-N 3.4Å; D97-G100 WeakPolarHBondContact OD1-CA 3.22Å; D97-G100 PolarHBondContact OD1-N 3.25Å; D97-G100 WeakPolarHBondContact OD2-CA 3.34Å; D97-N101 PolarHBondContact OD1-N 3.33Å; D97-N101 VanDerWaalsContact OD1-N 3.15Å; D97-N101 PolarHBondContact OD1-OD1 3.46Å; D97-N101 PolarHBondContact OD2-N 2.92Å; D97-N101 VanDerWaalsContact OD2-N 3.13Å; D97-G102 WeakPolarHBondContact OD2-CA 3.34Å; D97-G102 PolarHBondContact OD2-N 2.95Å; D97-V104 HydrophobicContact CB-CG1 4.32Å; D97-Y141 HydrophobicContact CB-CE1 3.76Å; D97-Y141 WeakPolarHBondContact OD2-CE1 3.34Å; D97-Y141 PolarHBondContact OD2-OH 3.01Å; D97-Y141 VanDerWaalsContact OD2-OH 3.05Å
98K89.6Confident93.8Very high163 Ų16367.3 Ų67.371%0.70937%0.369SS*.SBendtrans-65.1-26.7-178.3-66.1178.2-177.3106.10113.2F96 E108F96-K98 PolarHBondContact O-N 2.7Å; F96-K98 VanDerWaalsContact O-N 3.08Å; K98-E108 IonicContact NZ-OE1 2.72Å; K98-E108 PolarHBondContact NZ-OE1 3.13Å; K98-E108 IonicContact NZ-OE2 2.87Å; K98-E108 PolarHBondContact NZ-OE2 3.39Å
99E90.7Very high93.7Very high162 Ų16262.6 Ų62.676%0.75734%0.344SS*.SBendtrans-96.5-13.5-174.9-61.3-169.4120.100112.6D97 N101D97-E99 PolarHBondContact O-N 2.78Å; D97-E99 PolarHBondContact OD1-N 3.07Å; E99-N101 VanDerWaalsContact C-N 3.26Å; E99-N101 HydrophobicContact CB-CB 4.39Å; E99-N101 PolarHBondContact O-N 3.18Å; E99-N101 PolarHBondContact OE2-ND2 2.92Å; E99-N101 VanDerWaalsContact OE2-ND2 3.16Å
100G92.8Very high93.8Very high65 Ų6560.4 Ų60.467%0.6733%0.333SS*.SBendtrans66.627.8-176.700000112.9D97D97-G100 PolarHBondContact O-N 3.4Å; D97-G100 WeakPolarHBondContact OD1-CA 3.22Å; D97-G100 PolarHBondContact OD1-N 3.25Å; D97-G100 WeakPolarHBondContact OD2-CA 3.34Å
101N93.1Very high93.7Very high83 Ų8365.5 Ų65.544%0.44436%0.355SS..SBendtrans-98.41-172.769.510.3000113.5D97 E99 T103D97-N101 PolarHBondContact OD1-N 3.33Å; D97-N101 VanDerWaalsContact OD1-N 3.15Å; D97-N101 PolarHBondContact OD1-OD1 3.46Å; D97-N101 PolarHBondContact OD2-N 2.92Å; D97-N101 VanDerWaalsContact OD2-N 3.13Å; E99-N101 VanDerWaalsContact C-N 3.26Å; E99-N101 HydrophobicContact CB-CB 4.39Å; E99-N101 PolarHBondContact O-N 3.18Å; E99-N101 PolarHBondContact OE2-ND2 2.92Å; E99-N101 VanDerWaalsContact OE2-ND2 3.16Å; N101-T103 PolarHBondContact ND2-OG1 2.87Å; N101-T103 WeakPolarHBondContact OD1-CB 3.31Å; N101-T103 PolarHBondContact OD1-N 3.48Å; N101-T103 PolarHBondContact OD1-O 3.49Å; N101-T103 PolarHBondContact OD1-OG1 3.41Å
102G94.9Very high93.7Very high19 Ų1962 Ų6220%0.19634%0.34CS..SBendtrans85.512.7-178.200000113.9D97 N140 Y141D97-G102 WeakPolarHBondContact OD2-CA 3.34Å; D97-G102 PolarHBondContact OD2-N 2.95Å; G102-N140 PolarHBondContact O-ND2 3.48Å; G102-Y141 VanDerWaalsContact CA-CE1 3.47Å; G102-Y141 WeakPolarHBondContact O-CD1 3.32Å; G102-Y141 WeakPolarHBondContact O-CE1 3.25Å
103T96.2Very high93.7Very high33 Ų3362.1 Ų62.120%0.20233%0.331CS..EExtended strand (participates in β ladder)trans-132.1154.1179.371.50000112.5N101 I139N101-T103 PolarHBondContact ND2-OG1 2.87Å; N101-T103 WeakPolarHBondContact OD1-CB 3.31Å; N101-T103 PolarHBondContact OD1-N 3.48Å; N101-T103 PolarHBondContact OD1-O 3.49Å; N101-T103 PolarHBondContact OD1-OG1 3.41Å; T103-I139 CarbonylContact C-O 3.57Å; T103-I139 WeakPolarHBondContact CA-O 3.43Å
104V96Very high93.8Very high5 Ų562.7 Ų62.73%0.0334%0.336CS..EExtended strand (participates in β ladder)trans-125.2148.3172.1-67.40000109.5F96 D97 G106 L109 C138 I139 Y141F96-V104 HydrophobicContact CB-CG1 3.88Å; D97-V104 HydrophobicContact CB-CG1 4.32Å; V104-G106 PolarHBondContact O-N 3.48Å; V104-L109 HydrophobicContact CG2-CB 4.29Å; V104-L109 HydrophobicContact CG2-CD2 4.28Å; V104-C138 CarbonylContact O-C 3.6Å; V104-C138 WeakPolarHBondContact O-CA 3.47Å; V104-I139 HydrophobicContact CG2-CB 4.26Å; V104-I139 PolarHBondContact N-O 3.25Å; V104-I139 PolarHBondContact O-N 2.89Å; V104-Y141 HydrophobicContact CG1-CD1 3.9Å; V104-Y141 HydrophobicContact CG1-CE1 4.42Å
105M95.2Very high93.7Very high94 Ų9459.9 Ų59.946%0.46333%0.332SS..EExtended strand (participates in β ladder)trans-64.7127.7173.8-170.965.662.200108.8A107 E108 L109M105-A107 HydrophobicContact CG-CB 4.18Å; M105-A107 PolarHBondContact O-N 2.75Å; M105-E108 HydrophobicContact CB-CB 4.07Å; M105-E108 WeakPolarHBondContact O-CA 3.24Å; M105-E108 WeakPolarHBondContact O-CB 3.46Å; M105-E108 PolarHBondContact O-N 2.85Å; M105-L109 PolarHBondContact O-N 3.34Å
106G94.4Very high93.6Very high0 Ų059.3 Ų59.30%032%0.324CS..Hα-helixtrans-61.1-32.4-177.900000112.5V104 E108 L109 R110 E133 G137V104-G106 PolarHBondContact O-N 3.48Å; G106-E108 VanDerWaalsContact C-N 3.34Å; G106-E108 PolarHBondContact O-N 3.4Å; G106-L109 PolarHBondContact O-N 3.42Å; G106-R110 VanDerWaalsContact C-NH1 3.33Å; G106-R110 VanDerWaalsContact O-CG 3.3Å; G106-R110 WeakPolarHBondContact O-CG 3.46Å; G106-R110 PolarHBondContact O-N 2.9Å; G106-R110 PolarHBondContact O-NH1 3.49Å; G106-E133 WeakPolarHBondContact CA-OE1 3.38Å; G106-G137 PolarHBondContact N-O 3.02Å
107A93.8Very high93.6Very high65 Ų6560.7 Ų60.754%0.53735%0.352SS..Hα-helixtrans-62.9-35.817100000113.5M105 H111M105-A107 HydrophobicContact CG-CB 4.18Å; M105-A107 PolarHBondContact O-N 2.75Å; A107-H111 PolarHBondContact O-N 3.08Å; A107-H111 VanDerWaalsContact O-N 3.13Å
108E92.9Very high93.5Very high57 Ų5763.8 Ų63.827%0.26637%0.366SS..Hα-helixtrans-70.5-42.4175.8-175.8161.2-157.900110.3F96 K98 M105 G106 R110 H111 V112F96-E108 HydrophobicContact CB-CG 4.49Å; F96-E108 HydrophobicContact CD1-CG 4.42Å; K98-E108 IonicContact NZ-OE1 2.72Å; K98-E108 PolarHBondContact NZ-OE1 3.13Å; K98-E108 IonicContact NZ-OE2 2.87Å; K98-E108 PolarHBondContact NZ-OE2 3.39Å; M105-E108 HydrophobicContact CB-CB 4.07Å; M105-E108 WeakPolarHBondContact O-CA 3.24Å; M105-E108 WeakPolarHBondContact O-CB 3.46Å; M105-E108 PolarHBondContact O-N 2.85Å; G106-E108 VanDerWaalsContact C-N 3.34Å; G106-E108 PolarHBondContact O-N 3.4Å; E108-R110 PolarHBondContact O-N 3.19Å; E108-H111 PolarHBondContact O-N 2.86Å; E108-V112 WeakPolarHBondContact O-CG2 3.21Å; E108-V112 PolarHBondContact O-N 3.35Å
109L93.8Very high93.7Very high4 Ų463 Ų632%0.02136%0.362CS..Hα-helixtrans-62.8-42.2175.8-170.858000112.3L93 V104 M105 G106 H111 V112 L113 L129 I139 F144L93-L109 HydrophobicContact CD2-CD1 3.6Å; V104-L109 HydrophobicContact CG2-CB 4.29Å; V104-L109 HydrophobicContact CG2-CD2 4.28Å; M105-L109 PolarHBondContact O-N 3.34Å; G106-L109 PolarHBondContact O-N 3.42Å; L109-H111 VanDerWaalsContact C-N 3.33Å; L109-H111 PolarHBondContact O-N 3.45Å; L109-V112 PolarHBondContact O-N 2.74Å; L109-L113 HydrophobicContact CD1-CD1 4.35Å; L109-L113 HydrophobicContact CD1-CG 4.35Å; L109-L113 HydrophobicContact CG-CD1 4.08Å; L109-L113 WeakPolarHBondContact O-CG 3.26Å; L109-L113 PolarHBondContact O-N 2.97Å; L109-L129 HydrophobicContact CD2-CD2 3.72Å; L109-L129 HydrophobicContact CG-CD2 4.3Å; L109-I139 HydrophobicContact CD2-CD1 3.78Å; L109-I139 HydrophobicContact CD2-CG2 4.33Å; L109-F144 HydrophobicContact CD2-CD1 4.25Å; L109-F144 HydrophobicContact CD2-CE1 3.9Å; L109-F144 HydrophobicContact CD2-CZ 4.3Å
110R95.3Very high93.9Very high50 Ų5057.9 Ų57.919%0.18934%0.339CS..Hα-helixtrans-56.3-47172.6-75.2-178.9-179.684.3-4.1112G106 E108 V112 L113 T114 V125 E126 L129 E133G106-R110 VanDerWaalsContact C-NH1 3.33Å; G106-R110 VanDerWaalsContact O-CG 3.3Å; G106-R110 WeakPolarHBondContact O-CG 3.46Å; G106-R110 PolarHBondContact O-N 2.9Å; G106-R110 PolarHBondContact O-NH1 3.49Å; E108-R110 PolarHBondContact O-N 3.19Å; R110-V112 VanDerWaalsContact C-N 3.33Å; R110-V112 PolarHBondContact O-N 3.45Å; R110-L113 PolarHBondContact O-N 3.36Å; R110-T114 WeakPolarHBondContact O-CG2 3.46Å; R110-T114 PolarHBondContact O-N 2.89Å; R110-T114 VanDerWaalsContact O-N 3.16Å; R110-T114 PolarHBondContact O-OG1 3.28Å; R110-V125 HydrophobicContact CB-CG1 4.13Å; R110-V125 HydrophobicContact CG-CG1 3.75Å; R110-E126 VanDerWaalsContact CD-OE1 3.28Å; R110-E126 WeakPolarHBondContact CD-OE1 3.43Å; R110-E126 IonicContact CZ-OE1 2.65Å; R110-E126 IonicContact CZ-OE2 3.55Å; R110-E126 IonicContact NE-OE1 3.61Å; R110-E126 PolarHBondContact NE-OE1 2.99Å; R110-E126 IonicContact NE-OE2 3.48Å; R110-E126 IonicContact NH2-OE1 3.45Å; R110-E126 IonicContact NH2-OE2 2.86Å; R110-E126 PolarHBondContact NH2-OE2 2.64Å; R110-L129 HydrophobicContact CB-CD1 4.45Å; R110-L129 HydrophobicContact CG-CD1 3.39Å; R110-E133 IonicContact CZ-OE1 2.98Å; R110-E133 IonicContact CZ-OE2 3.1Å; R110-E133 IonicContact NH1-OE1 2.65Å; R110-E133 PolarHBondContact NH1-OE1 3.22Å; R110-E133 IonicContact NH1-OE2 3.16Å; R110-E133 IonicContact NH2-OE1 2.8Å; R110-E133 PolarHBondContact NH2-OE1 2.82Å; R110-E133 IonicContact NH2-OE2 3.84Å; R110-E133 PolarHBondContact NH2-OE2 3.19Å
111H94.4Very high94Very high122 Ų12257.4 Ų57.457%0.56533%0.325SS*.Hα-helixtrans-62.9-42.1179.5-174.366.5000111.6A107 E108 L109 T114 T115A107-H111 PolarHBondContact O-N 3.08Å; A107-H111 VanDerWaalsContact O-N 3.13Å; E108-H111 PolarHBondContact O-N 2.86Å; L109-H111 VanDerWaalsContact C-N 3.33Å; L109-H111 PolarHBondContact O-N 3.45Å; H111-T114 PolarHBondContact O-N 3.34Å; H111-T114 PolarHBondContact O-OG1 2.8Å; H111-T115 WeakPolarHBondContact O-CB 3.1Å; H111-T115 VanDerWaalsContact O-CG2 3.29Å; H111-T115 WeakPolarHBondContact O-CG2 3.32Å; H111-T115 PolarHBondContact O-N 3.07Å; H111-T115 VanDerWaalsContact O-N 3.16Å; H111-T115 PolarHBondContact O-OG1 2.87Å
112V93.2Very high94.1Very high20 Ų2061 Ų6112%0.12134%0.339CS..Hα-helixtrans-60.9-51.2178.2165.80000111.2F96 E108 L109 R110 T114 T115 L116F96-V112 HydrophobicContact CD1-CG2 3.83Å; F96-V112 HydrophobicContact CD2-CG2 4.46Å; F96-V112 HydrophobicContact CE1-CG2 3.36Å; F96-V112 HydrophobicContact CE2-CG1 3.99Å; F96-V112 HydrophobicContact CE2-CG2 4.07Å; F96-V112 HydrophobicContact CG-CG2 4.36Å; F96-V112 HydrophobicContact CZ-CB 4.33Å; F96-V112 HydrophobicContact CZ-CG1 3.83Å; F96-V112 HydrophobicContact CZ-CG2 3.5Å; E108-V112 WeakPolarHBondContact O-CG2 3.21Å; E108-V112 PolarHBondContact O-N 3.35Å; L109-V112 PolarHBondContact O-N 2.74Å; R110-V112 VanDerWaalsContact C-N 3.33Å; R110-V112 PolarHBondContact O-N 3.45Å; V112-T114 VanDerWaalsContact C-N 3.27Å; V112-T114 PolarHBondContact O-N 2.89Å; V112-T115 PolarHBondContact O-N 3.07Å; V112-L116 HydrophobicContact CG1-CD1 4.2Å; V112-L116 HydrophobicContact CG2-CD1 4.48Å; V112-L116 PolarHBondContact O-N 3Å
113L94.6Very high94.1Very high42 Ų4267.3 Ų67.322%0.2236%0.364CS..Hα-helixtrans-66.6-25.7-176.7-66.8172000113.8L109 R110 M120 V125 L128 L129L109-L113 HydrophobicContact CD1-CD1 4.35Å; L109-L113 HydrophobicContact CD1-CG 4.35Å; L109-L113 HydrophobicContact CG-CD1 4.08Å; L109-L113 WeakPolarHBondContact O-CG 3.26Å; L109-L113 PolarHBondContact O-N 2.97Å; R110-L113 PolarHBondContact O-N 3.36Å; L113-M120 HydrophobicContact CB-SD 4.42Å; L113-M120 HydrophobicContact CD2-SD 4.41Å; L113-M120 PolarHBondContact O-N 3.27Å; L113-V125 HydrophobicContact CB-CG2 3.79Å; L113-V125 HydrophobicContact CD1-CG1 4.28Å; L113-V125 HydrophobicContact CD1-CG2 4.48Å; L113-L128 HydrophobicContact CD1-CD2 4.01Å; L113-L129 HydrophobicContact CD1-CD2 4.37Å
114T95.8Very high94Very high38 Ų3870.8 Ų70.823%0.23338%0.378CS..Hα-helixtrans-90.4-12.9177.753.40000113.7R110 H111 V112 K119 V125R110-T114 WeakPolarHBondContact O-CG2 3.46Å; R110-T114 PolarHBondContact O-N 2.89Å; R110-T114 VanDerWaalsContact O-N 3.16Å; R110-T114 PolarHBondContact O-OG1 3.28Å; H111-T114 PolarHBondContact O-N 3.34Å; H111-T114 PolarHBondContact O-OG1 2.8Å; V112-T114 VanDerWaalsContact C-N 3.27Å; V112-T114 PolarHBondContact O-N 2.89Å; T114-K119 WeakPolarHBondContact O-CD 3.28Å; T114-K119 WeakPolarHBondContact O-CG 3.48Å; T114-V125 HydrophobicContact CG2-CB 4.47Å; T114-V125 HydrophobicContact CG2-CG2 3.84Å
115T92.3Very high94Very high55 Ų5570.6 Ų70.634%0.33738%0.376SS..Hα-helixtrans-120.5-33-172.962.10000115.3H111 V112 K119H111-T115 WeakPolarHBondContact O-CB 3.1Å; H111-T115 VanDerWaalsContact O-CG2 3.29Å; H111-T115 WeakPolarHBondContact O-CG2 3.32Å; H111-T115 PolarHBondContact O-N 3.07Å; H111-T115 VanDerWaalsContact O-N 3.16Å; H111-T115 PolarHBondContact O-OG1 2.87Å; V112-T115 PolarHBondContact O-N 3.07Å; T115-K119 WeakPolarHBondContact O-CE 3.39Å
116L91.3Very high93.9Very high105 Ų10570.5 Ų70.555%0.5538%0.375SS..SBendtrans-103145.8-174.7-62.9-180000111.5F96 V112F96-L116 HydrophobicContact CZ-CD1 4.36Å; V112-L116 HydrophobicContact CG1-CD1 4.2Å; V112-L116 HydrophobicContact CG2-CD1 4.48Å; V112-L116 PolarHBondContact O-N 3Å
117G91.2Very high93.9Very high76 Ų7675.6 Ų75.678%0.78441%0.406SS*.SBendtrans66.6-139.7177.300000113.7K119G117-K119 PolarHBondContact O-N 2.91Å
118E91.6Very high93.9Very high82 Ų8274.9 Ų74.938%0.38339%0.393SS..SBendtrans-80.2101.2170.3-66.4-166.7168.700109.4N45 A46 M120N45-E118 WeakPolarHBondContact CB-OE2 3.46Å; N45-E118 VanDerWaalsContact CG-OE2 3.27Å; N45-E118 VanDerWaalsContact N-CD 3.32Å; N45-E118 PolarHBondContact N-OE1 2.89Å; N45-E118 VanDerWaalsContact N-OE1 3.13Å; N45-E118 PolarHBondContact N-OE2 3.35Å; N45-E118 PolarHBondContact ND2-OE2 2.74Å; A46-E118 WeakPolarHBondContact CB-OE1 3.35Å; A46-E118 PolarHBondContact N-OE1 2.65Å; E118-M120 PolarHBondContact O-N 3.23Å
119K93.9Very high94Very high146 Ų14672.2 Ų72.264%0.63538%0.38SS*.PPolyproline II helixtrans-64132.1-172.1-58.2176.6-177.1-177.40111.2T114 T115 G117T114-K119 WeakPolarHBondContact O-CD 3.28Å; T114-K119 WeakPolarHBondContact O-CG 3.48Å; T115-K119 WeakPolarHBondContact O-CE 3.39Å; G117-K119 PolarHBondContact O-N 2.91Å
120M94.3Very high93.9Very high55 Ų5575.2 Ų75.227%0.27141%0.406SS..PPolyproline II helixtrans-86.7152.1166.6-63177.568.700110.1L113 E118 E124 V125 L128L113-M120 HydrophobicContact CB-SD 4.42Å; L113-M120 HydrophobicContact CD2-SD 4.41Å; L113-M120 PolarHBondContact O-N 3.27Å; E118-M120 PolarHBondContact O-N 3.23Å; M120-E124 HydrophobicContact CB-CB 4.31Å; M120-E124 HydrophobicContact CE-CB 3.64Å; M120-V125 HydrophobicContact CB-CG2 3.54Å; M120-V125 HydrophobicContact CE-CG2 4.32Å; M120-V125 HydrophobicContact CG-CG2 4.46Å; M120-V125 HydrophobicContact SD-CG2 4.23Å; M120-L128 HydrophobicContact CE-CB 4.46Å; M120-L128 HydrophobicContact CE-CD2 3.99Å; M120-L128 HydrophobicContact SD-CD2 4.19Å
121S95.7Very high93.8Very high55 Ų5576.8 Ų76.839%0.38544%0.438SS..PPolyproline II helixtrans-70.3157.7167.465.50000111.1E123 E124 V125S121-E123 PolarHBondContact O-N 3.44Å; S121-E124 WeakPolarHBondContact CB-OE2 3.5Å; S121-E124 PolarHBondContact N-OE2 3.07Å; S121-E124 PolarHBondContact O-N 3.05Å; S121-E124 VanDerWaalsContact OG-CD 3.27Å; S121-E124 WeakPolarHBondContact OG-CG 3.3Å; S121-E124 PolarHBondContact OG-N 3.3Å; S121-E124 PolarHBondContact OG-OE2 3.46Å; S121-V125 WeakPolarHBondContact O-CG2 3.36Å; S121-V125 PolarHBondContact O-N 2.92Å; S121-V125 VanDerWaalsContact O-N 3.07Å
122E94.4Very high93.8Very high157 Ų15773.3 Ų73.373%0.73442%0.422SS*.Hα-helixtrans-56.6-38.6177.1-66.5-177175.400111.7V125 E126E122-V125 PolarHBondContact O-N 2.82Å; E122-E126 WeakPolarHBondContact O-CG 3.3Å; E122-E126 PolarHBondContact O-N 3.04Å
123E96.1Very high93.8Very high153 Ų15375.8 Ų75.872%0.71543%0.432SS*.Hα-helixtrans-66.2-42.3179.5-173.5176.3-174.900112.8S121 V125 E126 T127S121-E123 PolarHBondContact O-N 3.44Å; E123-V125 VanDerWaalsContact C-N 3.32Å; E123-V125 PolarHBondContact O-N 3.31Å; E123-E126 PolarHBondContact O-N 2.91Å; E123-T127 WeakPolarHBondContact O-CB 3.37Å; E123-T127 PolarHBondContact O-N 3.16Å; E123-T127 PolarHBondContact O-OG1 2.81Å
124E94.7Very high93.8Very high105 Ų10577.4 Ų77.449%0.49144%0.441SS..Hα-helixtrans-64.2-39.8175.6-71.2165.3130.500111.1M120 S121 T127 L128M120-E124 HydrophobicContact CB-CB 4.31Å; M120-E124 HydrophobicContact CE-CB 3.64Å; S121-E124 WeakPolarHBondContact CB-OE2 3.5Å; S121-E124 PolarHBondContact N-OE2 3.07Å; S121-E124 PolarHBondContact O-N 3.05Å; S121-E124 VanDerWaalsContact OG-CD 3.27Å; S121-E124 WeakPolarHBondContact OG-CG 3.3Å; S121-E124 PolarHBondContact OG-N 3.3Å; S121-E124 PolarHBondContact OG-OE2 3.46Å; E124-T127 PolarHBondContact O-N 2.98Å; E124-L128 VanDerWaalsContact O-CB 3.31Å; E124-L128 WeakPolarHBondContact O-CB 3.39Å; E124-L128 PolarHBondContact O-N 3.21Å
125V95.3Very high93.7Very high1 Ų180.8 Ų80.81%0.00647%0.472CS..Hα-helixtrans-68.4-44.6177.9174.40000111.5R110 L113 T114 M120 S121 E122 E123 T127 L128 L129R110-V125 HydrophobicContact CB-CG1 4.13Å; R110-V125 HydrophobicContact CG-CG1 3.75Å; L113-V125 HydrophobicContact CB-CG2 3.79Å; L113-V125 HydrophobicContact CD1-CG1 4.28Å; L113-V125 HydrophobicContact CD1-CG2 4.48Å; T114-V125 HydrophobicContact CG2-CB 4.47Å; T114-V125 HydrophobicContact CG2-CG2 3.84Å; M120-V125 HydrophobicContact CB-CG2 3.54Å; M120-V125 HydrophobicContact CE-CG2 4.32Å; M120-V125 HydrophobicContact CG-CG2 4.46Å; M120-V125 HydrophobicContact SD-CG2 4.23Å; S121-V125 WeakPolarHBondContact O-CG2 3.36Å; S121-V125 PolarHBondContact O-N 2.92Å; S121-V125 VanDerWaalsContact O-N 3.07Å; E122-V125 PolarHBondContact O-N 2.82Å; E123-V125 VanDerWaalsContact C-N 3.32Å; E123-V125 PolarHBondContact O-N 3.31Å; V125-T127 VanDerWaalsContact C-N 3.27Å; V125-T127 PolarHBondContact O-N 2.65Å; V125-L128 PolarHBondContact O-N 3.36Å; V125-L129 HydrophobicContact CG1-CD1 3.86Å; V125-L129 HydrophobicContact CG1-CG 4.17Å; V125-L129 WeakPolarHBondContact O-CG 3.48Å; V125-L129 PolarHBondContact O-N 2.9Å
126E93.9Very high93.6Very high93 Ų9384.2 Ų84.244%0.43549%0.489SS..Hα-helixtrans-60.6-40.6176.1-72.6-52.313900111.3R110 E122 E123 L128 L129 A130R110-E126 VanDerWaalsContact CD-OE1 3.28Å; R110-E126 WeakPolarHBondContact CD-OE1 3.43Å; R110-E126 IonicContact CZ-OE1 2.65Å; R110-E126 IonicContact CZ-OE2 3.55Å; R110-E126 IonicContact NE-OE1 3.61Å; R110-E126 PolarHBondContact NE-OE1 2.99Å; R110-E126 IonicContact NE-OE2 3.48Å; R110-E126 IonicContact NH2-OE1 3.45Å; R110-E126 IonicContact NH2-OE2 2.86Å; R110-E126 PolarHBondContact NH2-OE2 2.64Å; E122-E126 WeakPolarHBondContact O-CG 3.3Å; E122-E126 PolarHBondContact O-N 3.04Å; E123-E126 PolarHBondContact O-N 2.91Å; E126-L128 VanDerWaalsContact C-N 3.35Å; E126-L129 PolarHBondContact O-N 3.47Å; E126-A130 WeakPolarHBondContact O-CB 3.2Å; E126-A130 PolarHBondContact O-N 3.36Å
127T94.3Very high93.8Very high106 Ų10680.2 Ų80.265%0.6547%0.473SS*.Hα-helixtrans-63.4-42.5175.9-57.10000111.4E123 E124 V125E123-T127 WeakPolarHBondContact O-CB 3.37Å; E123-T127 PolarHBondContact O-N 3.16Å; E123-T127 PolarHBondContact O-OG1 2.81Å; E124-T127 PolarHBondContact O-N 2.98Å; V125-T127 VanDerWaalsContact C-N 3.27Å; V125-T127 PolarHBondContact O-N 2.65Å
128L94Very high94Very high50 Ų5077.8 Ų77.826%0.26244%0.443SS..Hα-helixtrans-67.3-39.2-179.8-179.865000112.8L113 M120 E124 V125 E126 H132 F144 I148L113-L128 HydrophobicContact CD1-CD2 4.01Å; M120-L128 HydrophobicContact CE-CB 4.46Å; M120-L128 HydrophobicContact CE-CD2 3.99Å; M120-L128 HydrophobicContact SD-CD2 4.19Å; E124-L128 VanDerWaalsContact O-CB 3.31Å; E124-L128 WeakPolarHBondContact O-CB 3.39Å; E124-L128 PolarHBondContact O-N 3.21Å; V125-L128 PolarHBondContact O-N 3.36Å; E126-L128 VanDerWaalsContact C-N 3.35Å; L128-H132 PolarHBondContact O-CD2 3.46Å; L128-F144 HydrophobicContact CD1-CE2 4.41Å; L128-F144 HydrophobicContact CD1-CZ 4.3Å; L128-F144 HydrophobicContact CD2-CZ 3.95Å; L128-F144 HydrophobicContact CG-CE2 4.14Å; L128-F144 HydrophobicContact CG-CZ 3.82Å; L128-I148 HydrophobicContact CD1-CD1 4.08Å; L128-I148 HydrophobicContact CD1-CG1 4.1Å
129L93.5Very high94.2Very high1 Ų173.9 Ų73.91%0.00543%0.425CS..Hα-helixtrans-89-10.3-176-58.9-172.8000113.4L109 R110 L113 V125 E126 G131 H132 I139 F144L109-L129 HydrophobicContact CD2-CD2 3.72Å; L109-L129 HydrophobicContact CG-CD2 4.3Å; R110-L129 HydrophobicContact CB-CD1 4.45Å; R110-L129 HydrophobicContact CG-CD1 3.39Å; L113-L129 HydrophobicContact CD1-CD2 4.37Å; V125-L129 HydrophobicContact CG1-CD1 3.86Å; V125-L129 HydrophobicContact CG1-CG 4.17Å; V125-L129 WeakPolarHBondContact O-CG 3.48Å; V125-L129 PolarHBondContact O-N 2.9Å; E126-L129 PolarHBondContact O-N 3.47Å; L129-G131 PolarHBondContact O-N 3.13Å; L129-G131 VanDerWaalsContact O-N 3.17Å; L129-H132 PolarHBondContact O-N 3.43Å; L129-I139 HydrophobicContact CB-CD1 4.48Å; L129-I139 HydrophobicContact CD1-CD1 4.15Å; L129-I139 HydrophobicContact CD2-CD1 3.95Å; L129-I139 HydrophobicContact CG-CD1 4.42Å; L129-F144 HydrophobicContact CD2-CE1 4.28Å; L129-F144 HydrophobicContact CD2-CE2 3.64Å; L129-F144 HydrophobicContact CD2-CZ 3.4Å; L129-F144 VanDerWaalsContact CD2-CZ 3.4Å
130A92.6Very high94.3Very high68 Ų6870.5 Ų70.556%0.56241%0.414SS*.THydrogen-bonded Turntrans-54.8120.3-179.100000111.6E126 H132E126-A130 WeakPolarHBondContact O-CB 3.2Å; E126-A130 PolarHBondContact O-N 3.36Å; A130-H132 VanDerWaalsContact C-N 3.34Å
131G92.4Very high94.4Very high82 Ų8268.5 Ų68.585%0.84540%0.404SS*.THydrogen-bonded Turntrans83.22.1177.500000115.6L129L129-G131 PolarHBondContact O-N 3.13Å; L129-G131 VanDerWaalsContact O-N 3.17Å
132H94.1Very high94.4Very high50 Ų5070.2 Ų70.223%0.23141%0.405CS..THydrogen-bonded Turntrans-97.1-14.6176.1-69.2-69.6000114.3L128 L129 A130 I139 F144 H147L128-H132 PolarHBondContact O-CD2 3.46Å; L129-H132 PolarHBondContact O-N 3.43Å; A130-H132 VanDerWaalsContact C-N 3.34Å; H132-I139 HydrophobicContact CB-CG2 4.4Å; H132-F144 HydrophobicContact CB-CD2 4.23Å; H132-F144 AromaticContact CD2-CD2 3.92Å; H132-F144 AromaticContact CG-CD2 3.79Å; H132-H147 AromaticContact CE1-CD2 3.26Å; H132-H147 PolarHBondContact CE1-CD2 3.07Å; H132-H147 AromaticContact CE1-CG 3.51Å; H132-H147 AromaticContact CE1-NE2 3.84Å; H132-H147 AromaticContact NE2-CD2 3.2Å; H132-H147 PolarHBondContact NE2-CD2 3.02Å; H132-H147 AromaticContact NE2-CG 3.93Å; H132-H147 AromaticContact NE2-NE2 3.59Å
133E94.9Very high94.4Very high72 Ų7265 Ų6534%0.33639%0.39SS..BIsolated β-bridgetrans-80.1135.3177.8-56.6-166.6117.200111.3G106 R110 C138 I139G106-E133 WeakPolarHBondContact CA-OE1 3.38Å; R110-E133 IonicContact CZ-OE1 2.98Å; R110-E133 IonicContact CZ-OE2 3.1Å; R110-E133 IonicContact NH1-OE1 2.65Å; R110-E133 PolarHBondContact NH1-OE1 3.22Å; R110-E133 IonicContact NH1-OE2 3.16Å; R110-E133 IonicContact NH2-OE1 2.8Å; R110-E133 PolarHBondContact NH2-OE1 2.82Å; R110-E133 IonicContact NH2-OE2 3.84Å; R110-E133 PolarHBondContact NH2-OE2 3.19Å; E133-C138 WeakPolarHBondContact CA-O 3.45Å; E133-I139 HydrophobicContact CG-CD1 4Å; E133-I139 HydrophobicContact CG-CG1 3.87Å
134D93.5Very high94.4Very high75 Ų7558.1 Ų58.140%0.40136%0.357SS..  trans-79.4-177.4170.977.82.4000112.2N136 G137 C138D134-N136 PolarHBondContact O-N 3.15Å; D134-N136 VanDerWaalsContact O-N 3.07Å; D134-N136 VanDerWaalsContact OD1-CA 3.3Å; D134-N136 WeakPolarHBondContact OD1-CA 3.4Å; D134-N136 WeakPolarHBondContact OD1-CB 3.48Å; D134-N136 PolarHBondContact OD1-N 3.34Å; D134-G137 PolarHBondContact O-N 3.16Å; D134-G137 PolarHBondContact OD1-N 3.48Å; D134-G137 VanDerWaalsContact OD1-N 3.07Å; D134-C138 PolarHBondContact N-O 3.47Å; D134-C138 WeakPolarHBondContact OD1-CB 3.4Å; D134-C138 PolarHBondContact OD1-N 2.81Å
135A92.9Very high94.4Very high109 Ų10953.5 Ų53.590%0.90134%0.336SS*.THydrogen-bonded Turntrans-62-15.9179.500000114.3
136N92.1Very high94.3Very high128 Ų12859.6 Ų59.668%0.68436%0.359SS*.THydrogen-bonded Turntrans-100.1-0.1177.8-54.3-52.8000112.4D134 C138D134-N136 PolarHBondContact O-N 3.15Å; D134-N136 VanDerWaalsContact O-N 3.07Å; D134-N136 VanDerWaalsContact OD1-CA 3.3Å; D134-N136 WeakPolarHBondContact OD1-CA 3.4Å; D134-N136 WeakPolarHBondContact OD1-CB 3.48Å; D134-N136 PolarHBondContact OD1-N 3.34Å; N136-C138 VanDerWaalsContact C-N 3.33Å
137G93.6Very high94.3Very high21 Ų2160.1 Ų60.122%0.21636%0.361CS..SBendtrans76.121.6-174.300000113.2G106 D134G106-G137 PolarHBondContact N-O 3.02Å; D134-G137 PolarHBondContact O-N 3.16Å; D134-G137 PolarHBondContact OD1-N 3.48Å; D134-G137 VanDerWaalsContact OD1-N 3.07Å
138C95.4Very high94.2Very high24 Ų2458.7 Ų58.716%0.16235%0.349CS..EExtended strand (participates in β ladder)trans-98.1147.5177.3-67.70000110.8V104 E133 D134 N136V104-C138 CarbonylContact O-C 3.6Å; V104-C138 WeakPolarHBondContact O-CA 3.47Å; E133-C138 WeakPolarHBondContact CA-O 3.45Å; D134-C138 PolarHBondContact N-O 3.47Å; D134-C138 WeakPolarHBondContact OD1-CB 3.4Å; D134-C138 PolarHBondContact OD1-N 2.81Å; N136-C138 VanDerWaalsContact C-N 3.33Å
139I96.4Very high94Very high1 Ų160.6 Ų60.61%0.00536%0.358CS..EExtended strand (participates in β ladder)trans-118.3126.4179.7-62.4175.9000108.6T103 V104 L109 L129 H132 E133 Y141 F144T103-I139 CarbonylContact C-O 3.57Å; T103-I139 WeakPolarHBondContact CA-O 3.43Å; V104-I139 HydrophobicContact CG2-CB 4.26Å; V104-I139 PolarHBondContact N-O 3.25Å; V104-I139 PolarHBondContact O-N 2.89Å; L109-I139 HydrophobicContact CD2-CD1 3.78Å; L109-I139 HydrophobicContact CD2-CG2 4.33Å; L129-I139 HydrophobicContact CB-CD1 4.48Å; L129-I139 HydrophobicContact CD1-CD1 4.15Å; L129-I139 HydrophobicContact CD2-CD1 3.95Å; L129-I139 HydrophobicContact CG-CD1 4.42Å; H132-I139 HydrophobicContact CB-CG2 4.4Å; E133-I139 HydrophobicContact CG-CD1 4Å; E133-I139 HydrophobicContact CG-CG1 3.87Å; I139-Y141 PolarHBondContact O-N 2.95Å; I139-F144 HydrophobicContact CG2-CB 3.94Å; I139-F144 HydrophobicContact CG2-CD2 4.47Å; I139-F144 HydrophobicContact CG2-CG 4.15Å
140N96.7Very high93.7Very high75 Ų7564.9 Ų64.940%0.40139%0.387SS..EExtended strand (participates in β ladder)trans-74.6106168.5-176.8-73.8000109.2G102 E142 A143 F144G102-N140 PolarHBondContact O-ND2 3.48Å; N140-E142 PolarHBondContact O-N 2.93Å; N140-E142 PolarHBondContact OD1-N 2.64Å; N140-A143 HydrophobicContact CB-CB 4.15Å; N140-A143 PolarHBondContact O-N 3.16Å; N140-A143 VanDerWaalsContact OD1-CB 3.25Å; N140-A143 WeakPolarHBondContact OD1-CB 3.29Å; N140-A143 PolarHBondContact OD1-N 3.3Å; N140-F144 VanDerWaalsContact O-CB 3.31Å; N140-F144 WeakPolarHBondContact O-CB 3.46Å; N140-F144 PolarHBondContact O-N 3.42Å
141Y95.2Very high92.7Very high13 Ų1367.1 Ų67.15%0.05142%0.418CS..Hα-helixtrans-70.1-29-170.954.3-98.1000113.4V90 L93 R94 D97 G102 V104 I139 F144 V145V90-Y141 HydrophobicContact CG1-CD2 4.11Å; V90-Y141 HydrophobicContact CG1-CE2 3.86Å; L93-Y141 HydrophobicContact CB-CD2 4.23Å; L93-Y141 HydrophobicContact CB-CG 4.1Å; R94-Y141 HydrophobicContact CB-CE2 4.39Å; D97-Y141 HydrophobicContact CB-CE1 3.76Å; D97-Y141 WeakPolarHBondContact OD2-CE1 3.34Å; D97-Y141 PolarHBondContact OD2-OH 3.01Å; D97-Y141 VanDerWaalsContact OD2-OH 3.05Å; G102-Y141 VanDerWaalsContact CA-CE1 3.47Å; G102-Y141 WeakPolarHBondContact O-CD1 3.32Å; G102-Y141 WeakPolarHBondContact O-CE1 3.25Å; V104-Y141 HydrophobicContact CG1-CD1 3.9Å; V104-Y141 HydrophobicContact CG1-CE1 4.42Å; I139-Y141 PolarHBondContact O-N 2.95Å; Y141-F144 PolarHBondContact O-N 3.46Å; Y141-V145 WeakPolarHBondContact O-CB 3.38Å; Y141-V145 VanDerWaalsContact O-CG2 3.24Å; Y141-V145 WeakPolarHBondContact O-CG2 3.45Å; Y141-V145 PolarHBondContact O-N 3.16Å
142E95.6Very high92.7Very high90 Ų9066.4 Ų66.442%0.42140%0.396SS..Hα-helixtrans-68.6-45.6175.9-168.5-166.6137.800111.4M86 V90 N140 F144 V145 R146M86-E142 HydrophobicContact CE-CG 3.8Å; V90-E142 HydrophobicContact CG2-CG 4.26Å; N140-E142 PolarHBondContact O-N 2.93Å; N140-E142 PolarHBondContact OD1-N 2.64Å; E142-F144 VanDerWaalsContact C-N 3.3Å; E142-F144 PolarHBondContact O-N 3.45Å; E142-V145 PolarHBondContact O-N 3.21Å; E142-R146 WeakPolarHBondContact O-CB 3.36Å; E142-R146 PolarHBondContact O-N 2.76Å; E142-R146 IonicContact OE1-CZ 2.95Å; E142-R146 IonicContact OE1-NH2 2.73Å; E142-R146 PolarHBondContact OE1-NH2 2.96Å
143A95.2Very high92.6Very high49 Ų4967.3 Ų67.341%0.40541%0.405SS..Hα-helixtrans-64-38.6175.200000111.5N140 R146 H147N140-A143 HydrophobicContact CB-CB 4.15Å; N140-A143 PolarHBondContact O-N 3.16Å; N140-A143 VanDerWaalsContact OD1-CB 3.25Å; N140-A143 WeakPolarHBondContact OD1-CB 3.29Å; N140-A143 PolarHBondContact OD1-N 3.3Å; A143-R146 PolarHBondContact O-N 3.48Å; A143-H147 WeakPolarHBondContact O-CB 3.5Å; A143-H147 PolarHBondContact O-N 2.68Å
144F95.3Very high92.5Very high8 Ų867 Ų674%0.03541%0.409CS..Hα-helixtrans-63.9-48.7176.1178.9-113.6000112.3L93 L109 L128 L129 H132 I139 N140 Y141 E142 R146 H147 I148L93-F144 HydrophobicContact CD1-CD1 4.3Å; L109-F144 HydrophobicContact CD2-CD1 4.25Å; L109-F144 HydrophobicContact CD2-CE1 3.9Å; L109-F144 HydrophobicContact CD2-CZ 4.3Å; L128-F144 HydrophobicContact CD1-CE2 4.41Å; L128-F144 HydrophobicContact CD1-CZ 4.3Å; L128-F144 HydrophobicContact CD2-CZ 3.95Å; L128-F144 HydrophobicContact CG-CE2 4.14Å; L128-F144 HydrophobicContact CG-CZ 3.82Å; L129-F144 HydrophobicContact CD2-CE1 4.28Å; L129-F144 HydrophobicContact CD2-CE2 3.64Å; L129-F144 HydrophobicContact CD2-CZ 3.4Å; L129-F144 VanDerWaalsContact CD2-CZ 3.4Å; H132-F144 HydrophobicContact CB-CD2 4.23Å; H132-F144 AromaticContact CD2-CD2 3.92Å; H132-F144 AromaticContact CG-CD2 3.79Å; I139-F144 HydrophobicContact CG2-CB 3.94Å; I139-F144 HydrophobicContact CG2-CD2 4.47Å; I139-F144 HydrophobicContact CG2-CG 4.15Å; N140-F144 VanDerWaalsContact O-CB 3.31Å; N140-F144 WeakPolarHBondContact O-CB 3.46Å; N140-F144 PolarHBondContact O-N 3.42Å; Y141-F144 PolarHBondContact O-N 3.46Å; E142-F144 VanDerWaalsContact C-N 3.3Å; E142-F144 PolarHBondContact O-N 3.45Å; F144-R146 VanDerWaalsContact C-N 3.33Å; F144-R146 PolarHBondContact O-N 3.15Å; F144-H147 WeakPolarHBondContact O-CB 3.4Å; F144-H147 PolarHBondContact O-N 2.83Å; F144-H147 VanDerWaalsContact O-N 3.15Å; F144-I148 HydrophobicContact CD1-CD1 3.79Å; F144-I148 HydrophobicContact CD2-CD1 4.19Å; F144-I148 HydrophobicContact CE1-CD1 3.33Å; F144-I148 HydrophobicContact CE2-CD1 3.77Å; F144-I148 HydrophobicContact CE2-CG1 4.31Å; F144-I148 HydrophobicContact CG-CD1 4.21Å; F144-I148 HydrophobicContact CZ-CD1 3.35Å; F144-I148 HydrophobicContact CZ-CG1 4.34Å; F144-I148 WeakPolarHBondContact O-CG1 3.33Å; F144-I148 PolarHBondContact O-N 3.16Å
145V95.2Very high92.5Very high7 Ų766.5 Ų66.54%0.04241%0.409CS..Hα-helixtrans-59.8-44.6175.31700000110.7M86 F89 V90 L93 Y141 E142 H147 I148 M149M86-V145 HydrophobicContact CG-CG1 3.98Å; F89-V145 HydrophobicContact CB-CG1 3.69Å; F89-V145 HydrophobicContact CB-CG2 3.9Å; F89-V145 HydrophobicContact CG-CG1 4.44Å; V90-V145 HydrophobicContact CG2-CB 4.23Å; V90-V145 HydrophobicContact CG2-CG1 4.24Å; V90-V145 HydrophobicContact CG2-CG2 4.29Å; L93-V145 HydrophobicContact CD1-CG2 3.63Å; Y141-V145 WeakPolarHBondContact O-CB 3.38Å; Y141-V145 VanDerWaalsContact O-CG2 3.24Å; Y141-V145 WeakPolarHBondContact O-CG2 3.45Å; Y141-V145 PolarHBondContact O-N 3.16Å; E142-V145 PolarHBondContact O-N 3.21Å; V145-H147 VanDerWaalsContact C-N 3.28Å; V145-H147 PolarHBondContact O-N 3.47Å; V145-I148 PolarHBondContact O-N 3.33Å; V145-M149 HydrophobicContact CG1-CG 4.21Å; V145-M149 HydrophobicContact CG1-SD 3.71Å; V145-M149 WeakPolarHBondContact O-CB 3.48Å; V145-M149 WeakPolarHBondContact O-CG 3.46Å; V145-M149 PolarHBondContact O-N 3.35Å
146R94.5Very high92.4Very high130 Ų13063.9 Ų63.949%0.49138%0.378SS..Hα-helixtrans-59.4-40.6176.6-173.2179.6-65.9135.37.7111.8M86 E142 A143 F144 S150M86-R146 HydrophobicContact CE-CB 3.95Å; E142-R146 WeakPolarHBondContact O-CB 3.36Å; E142-R146 PolarHBondContact O-N 2.76Å; E142-R146 IonicContact OE1-CZ 2.95Å; E142-R146 IonicContact OE1-NH2 2.73Å; E142-R146 PolarHBondContact OE1-NH2 2.96Å; A143-R146 PolarHBondContact O-N 3.48Å; F144-R146 VanDerWaalsContact C-N 3.33Å; F144-R146 PolarHBondContact O-N 3.15Å; R146-S150 VanDerWaalsContact O-CB 3.31Å; R146-S150 WeakPolarHBondContact O-CB 3.47Å; R146-S150 PolarHBondContact O-N 2.87Å; R146-S150 PolarHBondContact O-OG 2.72Å
147H93.1Very high92.5Very high104 Ų10459.6 Ų59.648%0.48136%0.358SS..Hα-helixtrans-62.2-51176.6-179.669.6000111.2H132 A143 F144 V145 M149 S150H132-H147 AromaticContact CE1-CD2 3.26Å; H132-H147 PolarHBondContact CE1-CD2 3.07Å; H132-H147 AromaticContact CE1-CG 3.51Å; H132-H147 AromaticContact CE1-NE2 3.84Å; H132-H147 AromaticContact NE2-CD2 3.2Å; H132-H147 PolarHBondContact NE2-CD2 3.02Å; H132-H147 AromaticContact NE2-CG 3.93Å; H132-H147 AromaticContact NE2-NE2 3.59Å; A143-H147 WeakPolarHBondContact O-CB 3.5Å; A143-H147 PolarHBondContact O-N 2.68Å; F144-H147 WeakPolarHBondContact O-CB 3.4Å; F144-H147 PolarHBondContact O-N 2.83Å; F144-H147 VanDerWaalsContact O-N 3.15Å; V145-H147 VanDerWaalsContact C-N 3.28Å; V145-H147 PolarHBondContact O-N 3.47Å; H147-M149 PolarHBondContact O-N 3.13Å; H147-S150 PolarHBondContact O-N 3.33Å; H147-S150 VanDerWaalsContact O-N 3.14Å; H147-S150 PolarHBondContact O-OG 3.45Å
148I92.2Very high92.4Very high75 Ų7562.4 Ų62.439%0.38537%0.368SS..Hα-helixtrans-59.6-44.7-179.9-67.6169000111.7L128 F144 V145 S150L128-I148 HydrophobicContact CD1-CD1 4.08Å; L128-I148 HydrophobicContact CD1-CG1 4.1Å; F144-I148 HydrophobicContact CD1-CD1 3.79Å; F144-I148 HydrophobicContact CD2-CD1 4.19Å; F144-I148 HydrophobicContact CE1-CD1 3.33Å; F144-I148 HydrophobicContact CE2-CD1 3.77Å; F144-I148 HydrophobicContact CE2-CG1 4.31Å; F144-I148 HydrophobicContact CG-CD1 4.21Å; F144-I148 HydrophobicContact CZ-CD1 3.35Å; F144-I148 HydrophobicContact CZ-CG1 4.34Å; F144-I148 WeakPolarHBondContact O-CG1 3.33Å; F144-I148 PolarHBondContact O-N 3.16Å; V145-I148 PolarHBondContact O-N 3.33Å; I148-S150 PolarHBondContact O-N 3.08Å
149M90.4Very high92.1Very high91 Ų9165.3 Ų65.345%0.44838%0.384SS..THydrogen-bonded Turntrans-75.2-6.6-178-64.7-175.879.300113.8M86 F89 V145 H147M86-M149 HydrophobicContact CB-CE 4.35Å; M86-M149 HydrophobicContact CB-SD 3.78Å; M86-M149 HydrophobicContact CG-SD 4.22Å; F89-M149 HydrophobicContact CD2-CE 4.35Å; F89-M149 HydrophobicContact CD2-SD 3.97Å; F89-M149 HydrophobicContact CE2-CE 4.36Å; F89-M149 HydrophobicContact CE2-SD 4.44Å; V145-M149 HydrophobicContact CG1-CG 4.21Å; V145-M149 HydrophobicContact CG1-SD 3.71Å; V145-M149 WeakPolarHBondContact O-CB 3.48Å; V145-M149 WeakPolarHBondContact O-CG 3.46Å; V145-M149 PolarHBondContact O-N 3.35Å; H147-M149 PolarHBondContact O-N 3.13Å
150S87.3Confident91.8Very high90 Ų9070.7 Ų70.763%0.62942%0.415SS*.THydrogen-bonded Turntrans-98.3-9.3-179.970.40000114.5R146 H147 I148R146-S150 VanDerWaalsContact O-CB 3.31Å; R146-S150 WeakPolarHBondContact O-CB 3.47Å; R146-S150 PolarHBondContact O-N 2.87Å; R146-S150 PolarHBondContact O-OG 2.72Å; H147-S150 PolarHBondContact O-N 3.33Å; H147-S150 VanDerWaalsContact O-N 3.14Å; H147-S150 PolarHBondContact O-OG 3.45Å; I148-S150 PolarHBondContact O-N 3.08Å
151G70.9Confident91.3Very high116 Ų11670.3 Ų70.3100%1.19642%0.417SS*.  trans-85.3017500000111.8

Retrieved 151 of 151 residues in 335.5 ms (Link to these results)

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