A0A096NQY5_PAPAN Loading...

Alkyl transferase

AlphaFold DB (A0A2K6AZZ7), UniProt , Accession A0A096NQY5, Species PAPAN (Papio anubis, Olive baboon), Gene DHDDS, Length 299 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
1M66.8Low86.3Confident108 Ų10867.4 Ų67.453%0.53236%0.355SS..  0139.10-69.9-59.8-102.800109.8N56 R103M1-N56 WeakPolarHBondContact CB-OD1 3.45Å; M1-N56 VanDerWaalsContact CG-OD1 3.26Å; M1-N56 WeakPolarHBondContact CG-OD1 3.41Å; M1-R103 WeakPolarHBondContact O-CD 3.42Å; M1-R103 PolarHBondContact O-NE 3.26Å
2S84.1Confident87.3Confident15 Ų1576 Ų7611%0.10538%0.38CS..  trans-69.3156.7-1781770000112.8I4 E107S2-I4 PolarHBondContact OG-N 3.04Å; S2-I4 VanDerWaalsContact OG-N 3.15Å; S2-I4 PolarHBondContact OG-O 2.76Å; S2-I4 VanDerWaalsContact OG-O 3.06Å; S2-E107 WeakPolarHBondContact CA-OE1 3.4Å; S2-E107 VanDerWaalsContact CA-OE2 3.25Å; S2-E107 WeakPolarHBondContact CA-OE2 3.41Å; S2-E107 VanDerWaalsContact CB-CD 3.49Å; S2-E107 WeakPolarHBondContact CB-OE1 3.5Å; S2-E107 WeakPolarHBondContact CB-OE2 3.33Å; S2-E107 PolarHBondContact OG-OE1 3.02Å; S2-E107 PolarHBondContact OG-OE2 3.49Å
3W83Confident88.1Confident38 Ų3872.5 Ų72.514%0.14436%0.362CS..SBendtrans-71.8-31.3169.9-78.478.5000112.6F55 K100 F101 L104 E107 I118W3-F55 AromaticContact CD1-CZ 3.9Å; W3-F55 HydrophobicContact CD2-CE2 4.09Å; W3-F55 AromaticContact CD2-CZ 3.77Å; W3-F55 HydrophobicContact CD2-CZ 3.77Å; W3-F55 AromaticContact CE2-CE2 3.78Å; W3-F55 AromaticContact CE2-CZ 3.65Å; W3-F55 HydrophobicContact CE3-CE2 4.41Å; W3-F55 HydrophobicContact CE3-CZ 4.41Å; W3-F55 AromaticContact CG-CZ 3.94Å; W3-F55 HydrophobicContact CG-CZ 3.94Å; W3-F55 HydrophobicContact CH2-CE2 4.19Å; W3-F55 AromaticContact CZ2-CE2 3.84Å; W3-F55 HydrophobicContact CZ2-CE2 3.84Å; W3-F55 HydrophobicContact CZ2-CZ 4.2Å; W3-F55 HydrophobicContact CZ3-CE2 4.46Å; W3-F55 AromaticContact NE1-CZ 3.7Å; W3-K100 HydrophobicContact CZ2-CB 4.07Å; W3-K100 PolarHBondContact NE1-O 2.66Å; W3-F101 HydrophobicContact CH2-CE1 4.24Å; W3-F101 HydrophobicContact CH2-CZ 4.41Å; W3-F101 HydrophobicContact CZ2-CD1 4.33Å; W3-F101 HydrophobicContact CZ2-CE1 4.17Å; W3-F101 HydrophobicContact CZ2-CZ 4.49Å; W3-L104 HydrophobicContact CB-CD1 3.84Å; W3-L104 HydrophobicContact CD2-CD1 3.77Å; W3-L104 HydrophobicContact CE3-CD1 4.46Å; W3-L104 HydrophobicContact CG-CD1 3.45Å; W3-L104 VanDerWaalsContact CG-CD1 3.45Å; W3-E107 PolarHBondContact N-OE2 3.48Å; W3-E107 VanDerWaalsContact N-OE2 3.16Å; W3-I118 HydrophobicContact CE3-CD1 4.12Å; W3-I118 HydrophobicContact CZ3-CD1 4.34Å
4I82.1Confident88.8Confident26 Ų2675.5 Ų75.513%0.13337%0.367CS..  trans-104.8110.9177.7-61.4170.3000108.1S2 K110 L111 H114 V116S2-I4 PolarHBondContact OG-N 3.04Å; S2-I4 VanDerWaalsContact OG-N 3.15Å; S2-I4 PolarHBondContact OG-O 2.76Å; S2-I4 VanDerWaalsContact OG-O 3.06Å; I4-K110 HydrophobicContact CD1-CB 3.95Å; I4-K110 WeakPolarHBondContact CD1-O 3.34Å; I4-L111 HydrophobicContact CD1-CD2 3.76Å; I4-L111 HydrophobicContact CD1-CG 4.28Å; I4-L111 HydrophobicContact CG1-CD2 4.27Å; I4-H114 HydrophobicContact CD1-CB 4.37Å; I4-V116 HydrophobicContact CD1-CG2 4.03Å; I4-V116 HydrophobicContact CG1-CG2 4.47Å
5K82.3Confident89.4Confident48 Ų4878 Ų7821%0.20938%0.375CS..  trans-90.5124.1162.8-72.6-177.3174.4174.60107.9N56 A59 E60 R63K5-N56 PolarHBondContact NZ-O 3.28Å; K5-A59 HydrophobicContact CD-CB 4.21Å; K5-A59 HydrophobicContact CG-CB 4.14Å; K5-E60 HydrophobicContact CD-CB 4.12Å; K5-R63 WeakPolarHBondContact O-CB 3.45Å; K5-R63 WeakPolarHBondContact O-CD 3.48Å; K5-R63 VanDerWaalsContact O-CG 3.29Å; K5-R63 WeakPolarHBondContact O-CG 3.39Å
6E83.1Confident90Very high110 Ų11074.7 Ų74.751%0.51436%0.362SS..  trans-81.4155166.5-66.7-179.5164.600109.1R63 K113 H114E6-R63 PolarHBondContact O-NH1 3.09Å; E6-K113 IonicContact OE1-NZ 3.77Å; E6-K113 PolarHBondContact OE1-NZ 2.82Å; E6-H114 IonicContact OE1-CE1 2.66Å; E6-H114 PolarHBondContact OE1-CE1 3.46Å; E6-H114 IonicContact OE1-NE2 3.03Å
7G86.1Confident90.4Very high37 Ų3770.4 Ų70.438%0.38134%0.342SS..  trans148.4137.9177.800000112.9R63 N67G7-R63 WeakPolarHBondContact O-CD 3.46Å; G7-N67 PolarHBondContact O-ND2 3.23Å
8E92.1Very high90.8Very high162 Ų16272.1 Ų72.176%0.75735%0.353SS*.PPolyproline II helixtrans-84.5160.2177.1-62.4-167.617700111.8R14E8-R14 IonicContact OE2-NH1 3.32Å
9L95.1Very high91.2Very high18 Ų1873.5 Ų73.59%0.09436%0.361CS..PPolyproline II helixtrans-66.7140.4167.8-61.5-180000109.7E13 R14 A17 N67 L68 F203L9-E13 HydrophobicContact CB-CB 3.91Å; L9-E13 HydrophobicContact CD2-CB 4.32Å; L9-R14 HydrophobicContact CB-CB 4.15Å; L9-A17 HydrophobicContact CD1-CB 4.02Å; L9-N67 HydrophobicContact CD1-CB 4.02Å; L9-N67 HydrophobicContact CD2-CB 4.02Å; L9-N67 HydrophobicContact CG-CB 3.79Å; L9-L68 HydrophobicContact CD1-CD2 4.36Å; L9-F203 HydrophobicContact CD1-CE2 4.15Å; L9-F203 HydrophobicContact CD1-CZ 4.49Å; L9-F203 HydrophobicContact CD2-CD2 3.89Å; L9-F203 HydrophobicContact CD2-CE2 3.67Å
10S97.1Very high91.5Very high59 Ų5970.1 Ų70.141%0.41334%0.344SS..PPolyproline II helixtrans-63.3169.3170.767.60000111.7W12 E13 R14S10-W12 VanDerWaalsContact C-N 3.34Å; S10-W12 PolarHBondContact O-N 3.41Å; S10-E13 WeakPolarHBondContact CB-OE2 3.15Å; S10-E13 PolarHBondContact N-OE2 3.06Å; S10-E13 PolarHBondContact O-N 2.92Å; S10-E13 WeakPolarHBondContact OG-CG 3.39Å; S10-E13 PolarHBondContact OG-OE2 3.09Å; S10-R14 VanDerWaalsContact O-CB 3.29Å; S10-R14 WeakPolarHBondContact O-CB 3.42Å; S10-R14 PolarHBondContact O-N 3.46Å
11L97.9Very high91.8Very high120 Ų12071 Ų7163%0.62835%0.346SS*.Hα-helixtrans-53.2-48.5-176.7-178.765.8000112.8F15L11-F15 WeakPolarHBondContact O-CB 3.48Å; L11-F15 PolarHBondContact O-N 3.22Å
12W97.7Very high93.3Very high171 Ų17170.3 Ų70.365%0.64836%0.358SS*.Hα-helixtrans-71.4-41-179-74.9116.5000112.6S10 R14 F15 C16 W204S10-W12 VanDerWaalsContact C-N 3.34Å; S10-W12 PolarHBondContact O-N 3.41Å; W12-R14 VanDerWaalsContact C-N 3.32Å; W12-R14 PolarHBondContact O-N 3.4Å; W12-F15 HydrophobicContact CE3-CD1 4.13Å; W12-F15 HydrophobicContact CZ3-CD1 4.12Å; W12-F15 HydrophobicContact CZ3-CE1 4.42Å; W12-F15 PolarHBondContact O-N 2.86Å; W12-C16 WeakPolarHBondContact O-CB 3.24Å; W12-C16 PolarHBondContact O-N 2.95Å; W12-C16 PolarHBondContact O-SG 3.29Å; W12-C16 VanDerWaalsContact O-SG 3.34Å; W12-W204 HydrophobicContact CB-CH2 4.13Å; W12-W204 HydrophobicContact CB-CZ2 4.33Å
13E98.3Very high93.9Very high31 Ų3171.1 Ų71.115%0.14537%0.369CS..Hα-helixtrans-61.5-43.3176-65.7170.3144.900110.7L9 S10 A17 F203 W204L9-E13 HydrophobicContact CB-CB 3.91Å; L9-E13 HydrophobicContact CD2-CB 4.32Å; S10-E13 WeakPolarHBondContact CB-OE2 3.15Å; S10-E13 PolarHBondContact N-OE2 3.06Å; S10-E13 PolarHBondContact O-N 2.92Å; S10-E13 WeakPolarHBondContact OG-CG 3.39Å; S10-E13 PolarHBondContact OG-OE2 3.09Å; E13-A17 WeakPolarHBondContact O-CB 3.49Å; E13-A17 PolarHBondContact O-N 3.43Å; E13-F203 HydrophobicContact CB-CD1 3.93Å; E13-F203 HydrophobicContact CB-CD2 4.45Å; E13-F203 HydrophobicContact CB-CE1 3.69Å; E13-F203 HydrophobicContact CB-CE2 4.25Å; E13-F203 HydrophobicContact CB-CG 4.3Å; E13-F203 HydrophobicContact CB-CZ 3.86Å; E13-F203 HydrophobicContact CG-CB 4.36Å; E13-F203 HydrophobicContact CG-CD1 3.5Å; E13-F203 HydrophobicContact CG-CD2 4.4Å; E13-F203 HydrophobicContact CG-CE1 3.8Å; E13-F203 HydrophobicContact CG-CG 3.83Å; E13-F203 HydrophobicContact CG-CZ 4.37Å; E13-F203 VanDerWaalsContact OE1-CB 3.28Å; E13-F203 WeakPolarHBondContact OE1-CB 3.26Å; E13-W204 HydrophobicContact CG-CH2 4.19Å; E13-W204 HydrophobicContact CG-CZ2 3.96Å
14R97.9Very high94.6Very high114 Ų11471.7 Ų71.743%0.4338%0.378SS..Hα-helixtrans-66.1-43.3176.7-176.9168.663.7-158.70.7112.2E8 L9 S10 W12 A17 N18E8-R14 IonicContact OE2-NH1 3.32Å; L9-R14 HydrophobicContact CB-CB 4.15Å; S10-R14 VanDerWaalsContact O-CB 3.29Å; S10-R14 WeakPolarHBondContact O-CB 3.42Å; S10-R14 PolarHBondContact O-N 3.46Å; W12-R14 VanDerWaalsContact C-N 3.32Å; W12-R14 PolarHBondContact O-N 3.4Å; R14-A17 PolarHBondContact O-N 3.29Å; R14-N18 VanDerWaalsContact O-CG 3.25Å; R14-N18 PolarHBondContact O-N 3.16Å; R14-N18 PolarHBondContact O-ND2 2.9Å
15F98.2Very high95.3Very high113 Ų11372.6 Ų72.650%0.49638%0.382SS..Hα-helixtrans-59.3-52.2176.5175.5-101.6000111.1L11 W12 A17 N18 I19L11-F15 WeakPolarHBondContact O-CB 3.48Å; L11-F15 PolarHBondContact O-N 3.22Å; W12-F15 HydrophobicContact CE3-CD1 4.13Å; W12-F15 HydrophobicContact CZ3-CD1 4.12Å; W12-F15 HydrophobicContact CZ3-CE1 4.42Å; W12-F15 PolarHBondContact O-N 2.86Å; F15-A17 VanDerWaalsContact C-N 3.35Å; F15-A17 PolarHBondContact O-N 3.04Å; F15-N18 PolarHBondContact O-N 3.3Å; F15-I19 HydrophobicContact CD1-CD1 4.04Å; F15-I19 HydrophobicContact CE1-CD1 3.52Å; F15-I19 HydrophobicContact CE2-CD1 4.38Å; F15-I19 HydrophobicContact CZ-CD1 3.72Å; F15-I19 PolarHBondContact O-N 3.1Å
16C98.1Very high96.1Very high25 Ų2570.4 Ų70.417%0.16937%0.372CS..Hα-helixtrans-63-41177.6-670000111.8W12 N18 I19 I20 W204 F207W12-C16 WeakPolarHBondContact O-CB 3.24Å; W12-C16 PolarHBondContact O-N 2.95Å; W12-C16 PolarHBondContact O-SG 3.29Å; W12-C16 VanDerWaalsContact O-SG 3.34Å; C16-N18 VanDerWaalsContact C-N 3.33Å; C16-N18 PolarHBondContact O-N 2.94Å; C16-I19 WeakPolarHBondContact O-CB 3.49Å; C16-I19 PolarHBondContact O-N 3.27Å; C16-I19 VanDerWaalsContact O-N 3.17Å; C16-I20 WeakPolarHBondContact O-CG1 3.27Å; C16-I20 PolarHBondContact O-N 2.97Å; C16-I20 VanDerWaalsContact O-N 3.07Å; C16-W204 HydrophobicContact CB-CZ3 4.18Å; C16-F207 HydrophobicContact CB-CD2 4.27Å; C16-F207 HydrophobicContact CB-CE2 3.64Å; C16-F207 HydrophobicContact CB-CZ 3.97Å
17A97.4Very high96.7Very high1 Ų172.8 Ų72.81%0.00838%0.381CS..Hα-helixtrans-57.5-43.5175.600000112.3L9 E13 R14 F15 I19 I20 K21 L68L9-A17 HydrophobicContact CD1-CB 4.02Å; E13-A17 WeakPolarHBondContact O-CB 3.49Å; E13-A17 PolarHBondContact O-N 3.43Å; R14-A17 PolarHBondContact O-N 3.29Å; F15-A17 VanDerWaalsContact C-N 3.35Å; F15-A17 PolarHBondContact O-N 3.04Å; A17-I19 VanDerWaalsContact C-N 3.28Å; A17-I19 PolarHBondContact O-N 2.96Å; A17-I20 VanDerWaalsContact O-CG1 3.29Å; A17-I20 WeakPolarHBondContact O-CG1 3.39Å; A17-I20 PolarHBondContact O-N 3.44Å; A17-K21 VanDerWaalsContact O-CB 3.29Å; A17-K21 WeakPolarHBondContact O-CB 3.33Å; A17-K21 WeakPolarHBondContact O-CG 3.45Å; A17-K21 PolarHBondContact O-N 2.79Å; A17-L68 HydrophobicContact CB-CD2 3.51Å
18N97.8Very high97.2Very high101 Ų10171.1 Ų71.154%0.5436%0.363SS..Hα-helixtrans-64-34.9178.4-71.3-14.9000112.2R14 F15 C16R14-N18 VanDerWaalsContact O-CG 3.25Å; R14-N18 PolarHBondContact O-N 3.16Å; R14-N18 PolarHBondContact O-ND2 2.9Å; F15-N18 PolarHBondContact O-N 3.3Å; C16-N18 VanDerWaalsContact C-N 3.33Å; C16-N18 PolarHBondContact O-N 2.94Å
19I98Very high97.5Very high100 Ų10063.4 Ų63.451%0.51333%0.327SS..Hα-helixtrans-66-52.3175.6-64.5169.4000110.4F15 C16 A17 K21 A22F15-I19 HydrophobicContact CD1-CD1 4.04Å; F15-I19 HydrophobicContact CE1-CD1 3.52Å; F15-I19 HydrophobicContact CE2-CD1 4.38Å; F15-I19 HydrophobicContact CZ-CD1 3.72Å; F15-I19 PolarHBondContact O-N 3.1Å; C16-I19 WeakPolarHBondContact O-CB 3.49Å; C16-I19 PolarHBondContact O-N 3.27Å; C16-I19 VanDerWaalsContact O-N 3.17Å; A17-I19 VanDerWaalsContact C-N 3.28Å; A17-I19 PolarHBondContact O-N 2.96Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 3.36Å; I19-A22 VanDerWaalsContact O-CB 3.29Å; I19-A22 WeakPolarHBondContact O-CB 3.49Å; I19-A22 PolarHBondContact O-N 3.04Å; I19-A22 VanDerWaalsContact O-N 3.13Å
20I97.1Very high97.7Very high5 Ų562.6 Ų62.63%0.02632%0.323CS..Hα-helixtrans-68.1-28.7-178.358.1165.5000112.4C16 A17 A22 G23 M25 F207 I210 L211 Q214C16-I20 WeakPolarHBondContact O-CG1 3.27Å; C16-I20 PolarHBondContact O-N 2.97Å; C16-I20 VanDerWaalsContact O-N 3.07Å; A17-I20 VanDerWaalsContact O-CG1 3.29Å; A17-I20 WeakPolarHBondContact O-CG1 3.39Å; A17-I20 PolarHBondContact O-N 3.44Å; I20-A22 PolarHBondContact O-N 3.38Å; I20-G23 PolarHBondContact O-N 2.76Å; I20-M25 HydrophobicContact CD1-CE 4.48Å; I20-M25 HydrophobicContact CD1-SD 4.4Å; I20-M25 HydrophobicContact CG1-SD 4.41Å; I20-F207 HydrophobicContact CB-CE2 4.24Å; I20-F207 HydrophobicContact CD1-CD2 3.59Å; I20-F207 HydrophobicContact CD1-CE2 3.67Å; I20-F207 HydrophobicContact CG1-CD2 4.31Å; I20-F207 HydrophobicContact CG1-CE2 3.89Å; I20-F207 HydrophobicContact CG2-CD2 4.29Å; I20-F207 HydrophobicContact CG2-CE2 3.36Å; I20-F207 HydrophobicContact CG2-CZ 3.63Å; I20-I210 HydrophobicContact CD1-CB 4.39Å; I20-I210 HydrophobicContact CD1-CD1 4.29Å; I20-I210 HydrophobicContact CD1-CG2 3.94Å; I20-L211 HydrophobicContact CG2-CD2 3.76Å; I20-L211 HydrophobicContact CG2-CG 4.37Å; I20-Q214 PolarHBondContact O-NE2 3.48Å
21K97.7Very high97.8Very high88 Ų8859.9 Ų59.938%0.38330%0.304SS..THydrogen-bonded Turntrans-64.8-14.6174.4-79175.8178.5-175.70113.7A17 I19 M25 N67 L68A17-K21 VanDerWaalsContact O-CB 3.29Å; A17-K21 WeakPolarHBondContact O-CB 3.33Å; A17-K21 WeakPolarHBondContact O-CG 3.45Å; A17-K21 PolarHBondContact O-N 2.79Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 3.36Å; K21-M25 HydrophobicContact CG-CE 4.46Å; K21-M25 HydrophobicContact CG-CG 4.4Å; K21-M25 HydrophobicContact CG-SD 4.37Å; K21-N67 PolarHBondContact NZ-O 3.22Å; K21-L68 WeakPolarHBondContact CE-O 3.47Å
22A97.6Very high97.8Very high94 Ų9454.6 Ų54.678%0.77728%0.276SS*.THydrogen-bonded Turntrans-72.5-19.4171.200000112.9I19 I20I19-A22 VanDerWaalsContact O-CB 3.29Å; I19-A22 WeakPolarHBondContact O-CB 3.49Å; I19-A22 PolarHBondContact O-N 3.04Å; I19-A22 VanDerWaalsContact O-N 3.13Å; I20-A22 PolarHBondContact O-N 3.38Å
23G96.9Very high97.8Very high33 Ų3347.6 Ų47.634%0.3425%0.251SS..SBendtrans-98-174.7176.100000113.4I20 M25I20-G23 PolarHBondContact O-N 2.76Å; G23-M25 PolarHBondContact O-N 3.2Å
24P97.8Very high97.7Very high50 Ų5048.2 Ų48.233%0.32526%0.255SS..  trans-64.8128.4174.426.9-31.7000109.9F213 Q214 H217P24-F213 HydrophobicContact CB-CE1 4.34Å; P24-Q214 HydrophobicContact CG-CG 4.25Å; P24-Q214 WeakPolarHBondContact O-CG 3.04Å; P24-Q214 PolarHBondContact O-NE2 3.47Å; P24-H217 HydrophobicContact CG-CB 3.86Å
25M98.3Very high97.7Very high44 Ų4442.9 Ų42.922%0.21724%0.236CC..  trans-105.1141.3177.1-73.1-64.6-66.600110.6I20 K21 G23 L68 I70 I210I20-M25 HydrophobicContact CD1-CE 4.48Å; I20-M25 HydrophobicContact CD1-SD 4.4Å; I20-M25 HydrophobicContact CG1-SD 4.41Å; K21-M25 HydrophobicContact CG-CE 4.46Å; K21-M25 HydrophobicContact CG-CG 4.4Å; K21-M25 HydrophobicContact CG-SD 4.37Å; G23-M25 PolarHBondContact O-N 3.2Å; M25-L68 HydrophobicContact CE-CB 4.36Å; M25-I70 HydrophobicContact CE-CD1 4.24Å; M25-I70 HydrophobicContact CE-CG1 4.27Å; M25-I210 HydrophobicContact CE-CD1 4.36Å; M25-I210 HydrophobicContact CE-CG2 4.25Å; M25-I210 HydrophobicContact SD-CG2 3.98Å
26P97.9Very high97.6Very high3 Ų338.6 Ų38.62%0.01922%0.218CC..  trans-66.3139.6172.830.9-36.6000109.8I29 I70 D167 I168 I210 F213P26-I29 HydrophobicContact CB-CD1 4.42Å; P26-I29 HydrophobicContact CB-CG1 4.06Å; P26-I29 HydrophobicContact CG-CD1 3.87Å; P26-I29 HydrophobicContact CG-CG1 4.06Å; P26-I70 HydrophobicContact CG-CD1 4.03Å; P26-I70 HydrophobicContact CG-CG1 4.38Å; P26-D167 HydrophobicContact CB-CB 3.63Å; P26-I168 HydrophobicContact CB-CD1 3.86Å; P26-I168 HydrophobicContact CB-CG1 3.92Å; P26-I168 HydrophobicContact CG-CD1 3.75Å; P26-I168 HydrophobicContact CG-CG1 4.37Å; P26-I210 HydrophobicContact CG-CG1 4.2Å; P26-F213 HydrophobicContact CB-CD1 4.37Å; P26-F213 HydrophobicContact CB-CE1 4.29Å; P26-F213 HydrophobicContact CB-CZ 4.47Å
27K95.7Very high97.5Very high160 Ų16042.6 Ų42.670%0.69623%0.229SC*.SBendtrans-90.2-32.6175.2-63.3-179.3-179.7-179.70111.3E72 D167K27-E72 PolarHBondContact O-N 3.43Å; K27-D167 PolarHBondContact N-OD2 2.94Å
28H97.8Very high97.5Very high2 Ų246.9 Ų46.91%0.00925%0.245CC..EExtended strand (participates in β ladder)trans-133.9124.7-179.2-179.7-171000111.2E72 T74 P164 D167H28-E72 WeakPolarHBondContact CA-O 3.33Å; H28-E72 HydrophobicContact CB-CB 4.04Å; H28-E72 HydrophobicContact CB-CG 4.35Å; H28-E72 PolarHBondContact CD2-O 2.61Å; H28-E72 IonicContact CG-OE2 3.61Å; H28-E72 IonicContact ND1-OE2 2.65Å; H28-T74 PolarHBondContact CE1-OG1 3.39Å; H28-T74 VanDerWaalsContact CE1-OG1 3.27Å; H28-T74 WeakPolarHBondContact NE2-CB 3.37Å; H28-T74 PolarHBondContact NE2-OG1 3.12Å; H28-P164 PolarHBondContact CE1-O 2.8Å; H28-P164 PolarHBondContact ND1-O 2.81Å; H28-D167 PolarHBondContact N-OD2 2.75Å; H28-D167 PolarHBondContact O-N 3.49Å
29I98.3Very high97.6Very high0 Ų044.1 Ų44.10%023%0.228CC..EExtended strand (participates in β ladder)trans-114.5134173-60.1-177.1000110.8P26 F31 I70 E72 V73 T74 I168 I170 L206 I210P26-I29 HydrophobicContact CB-CD1 4.42Å; P26-I29 HydrophobicContact CB-CG1 4.06Å; P26-I29 HydrophobicContact CG-CD1 3.87Å; P26-I29 HydrophobicContact CG-CG1 4.06Å; I29-F31 HydrophobicContact CB-CE2 4.08Å; I29-F31 HydrophobicContact CG2-CD2 3.96Å; I29-F31 HydrophobicContact CG2-CE1 4.29Å; I29-F31 HydrophobicContact CG2-CE2 3.38Å; I29-F31 HydrophobicContact CG2-CZ 3.58Å; I29-I70 HydrophobicContact CD1-CD1 3.73Å; I29-I70 HydrophobicContact CD1-CG2 4.24Å; I29-I70 HydrophobicContact CG1-CG2 4.09Å; I29-E72 PolarHBondContact N-O 3.48Å; I29-E72 VanDerWaalsContact N-O 3.08Å; I29-V73 CarbonylContact O-C 3.51Å; I29-V73 VanDerWaalsContact O-CA 3.24Å; I29-V73 WeakPolarHBondContact O-CA 3.44Å; I29-T74 PolarHBondContact O-N 3.32Å; I29-I168 HydrophobicContact CD1-CD1 4.08Å; I29-I168 HydrophobicContact CG1-CB 4.25Å; I29-I168 HydrophobicContact CG1-CD1 4.24Å; I29-I168 HydrophobicContact CG1-CG1 4.31Å; I29-I168 HydrophobicContact CG2-CB 4.3Å; I29-I170 HydrophobicContact CG2-CD1 3.72Å; I29-I170 HydrophobicContact CG2-CG1 4.19Å; I29-L206 HydrophobicContact CD1-CD1 3.92Å; I29-I210 HydrophobicContact CD1-CG1 4.4Å
30A98.5Very high97.5Very high0 Ų039.4 Ų39.40%020%0.204CC..EExtended strand (participates in β ladder)trans-105.9141.917200000111.9T74 P166 I168 L169 I170 F181 L182A30-T74 CarbonylContact C-O 3.49Å; A30-T74 WeakPolarHBondContact CA-O 3.03Å; A30-P166 HydrophobicContact CB-CB 3.9Å; A30-P166 HydrophobicContact CB-CG 3.8Å; A30-I168 PolarHBondContact N-O 3.35Å; A30-L169 HydrophobicContact CB-CD1 3.64Å; A30-L169 WeakPolarHBondContact O-CA 3.43Å; A30-I170 PolarHBondContact O-N 2.79Å; A30-F181 HydrophobicContact CB-CE1 4.17Å; A30-L182 HydrophobicContact CB-CD1 3.77Å
31F98.5Very high97.6Very high2 Ų247.6 Ų47.61%0.00924%0.239CC..EExtended strand (participates in β ladder)trans-125130.3179.3-65.1-93.5000113I29 M33 T61 V73 T74 V75 Y76 I170 W198 Y201 L206I29-F31 HydrophobicContact CB-CE2 4.08Å; I29-F31 HydrophobicContact CG2-CD2 3.96Å; I29-F31 HydrophobicContact CG2-CE1 4.29Å; I29-F31 HydrophobicContact CG2-CE2 3.38Å; I29-F31 HydrophobicContact CG2-CZ 3.58Å; F31-M33 HydrophobicContact CB-CG 4.12Å; F31-T61 HydrophobicContact CE1-CG2 4.1Å; F31-T61 HydrophobicContact CE2-CG2 4.16Å; F31-T61 HydrophobicContact CZ-CG2 3.68Å; F31-V73 HydrophobicContact CD2-CG1 3.7Å; F31-V73 HydrophobicContact CE2-CG1 3.75Å; F31-T74 PolarHBondContact N-O 2.97Å; F31-V75 HydrophobicContact CB-CG1 4.14Å; F31-V75 HydrophobicContact CD2-CG1 4.24Å; F31-V75 WeakPolarHBondContact O-CA 3.32Å; F31-Y76 PolarHBondContact O-N 3.23Å; F31-I170 CarbonylContact C-O 3.58Å; F31-I170 WeakPolarHBondContact CA-O 3.49Å; F31-I170 HydrophobicContact CD1-CB 3.83Å; F31-I170 HydrophobicContact CD1-CD1 4.16Å; F31-I170 HydrophobicContact CD1-CG2 4.09Å; F31-I170 HydrophobicContact CE1-CB 4.08Å; F31-I170 HydrophobicContact CE1-CD1 3.51Å; F31-I170 HydrophobicContact CE1-CG1 4.31Å; F31-I170 HydrophobicContact CE1-CG2 4.26Å; F31-I170 HydrophobicContact CZ-CD1 3.91Å; F31-W198 HydrophobicContact CB-CZ3 4.41Å; F31-W198 HydrophobicContact CD1-CH2 4.18Å; F31-W198 AromaticContact CD1-CZ3 3.75Å; F31-W198 HydrophobicContact CD1-CZ3 3.75Å; F31-W198 HydrophobicContact CE1-CZ3 4.33Å; F31-W198 HydrophobicContact CG-CH2 4.37Å; F31-W198 HydrophobicContact CG-CZ3 4.28Å; F31-Y201 HydrophobicContact CE1-CE1 4.04Å; F31-L206 HydrophobicContact CZ-CD1 3.97Å
32I98.2Very high97.6Very high9 Ų949.7 Ų49.75%0.04625%0.248CC..EExtended strand (participates in β ladder)trans-95.7100.1160.8-58.4173.8000107.5D34 L169 I170 R171 T172 L178 F181I32-D34 VanDerWaalsContact C-N 3.25Å; I32-D34 HydrophobicContact CG2-CB 4.38Å; I32-D34 PolarHBondContact O-N 3Å; I32-L169 HydrophobicContact CD1-CD1 4.42Å; I32-L169 HydrophobicContact CD1-CD2 4.48Å; I32-L169 HydrophobicContact CG1-CD1 4.22Å; I32-I170 PolarHBondContact N-O 3.49Å; I32-R171 HydrophobicContact CB-CB 3.98Å; I32-R171 HydrophobicContact CB-CG 3.94Å; I32-R171 HydrophobicContact CD1-CB 4.26Å; I32-R171 HydrophobicContact CD1-CG 4.45Å; I32-R171 HydrophobicContact CG2-CG 4.03Å; I32-T172 PolarHBondContact O-N 3.46Å; I32-T172 PolarHBondContact O-OG1 3.37Å; I32-L178 VanDerWaalsContact CD1-O 3.29Å; I32-L178 WeakPolarHBondContact CD1-O 3.45Å; I32-F181 HydrophobicContact CD1-CB 4.06Å; I32-F181 HydrophobicContact CD1-CD1 3.9Å; I32-F181 HydrophobicContact CD1-CG 4.4Å; I32-F181 HydrophobicContact CG1-CB 4.26Å; I32-F181 HydrophobicContact CG1-CD1 3.41Å; I32-F181 VanDerWaalsContact CG1-CD1 3.41Å; I32-F181 HydrophobicContact CG1-CE1 3.99Å; I32-F181 HydrophobicContact CG1-CG 4.1Å
33M97.3Very high97.6Very high25 Ų2547.8 Ų47.812%0.12323%0.229CC..  trans-80.561-172.1-59.7-175.6-61.200112.6F31 N36 L58 V75 A77 W198F31-M33 HydrophobicContact CB-CG 4.12Å; M33-N36 PolarHBondContact O-ND2 3.24Å; M33-L58 HydrophobicContact CE-CD2 4.49Å; M33-L58 HydrophobicContact SD-CB 4.16Å; M33-L58 HydrophobicContact SD-CD1 3.99Å; M33-L58 HydrophobicContact SD-CD2 4.4Å; M33-L58 HydrophobicContact SD-CG 4.42Å; M33-V75 HydrophobicContact CE-CB 3.76Å; M33-V75 HydrophobicContact CE-CG2 3.85Å; M33-V75 HydrophobicContact CG-CB 4.47Å; M33-V75 HydrophobicContact SD-CB 3.89Å; M33-V75 HydrophobicContact SD-CG1 4.16Å; M33-V75 HydrophobicContact SD-CG2 4.35Å; M33-A77 HydrophobicContact CE-CB 4.21Å; M33-W198 HydrophobicContact CB-CB 4.42Å; M33-W198 HydrophobicContact CB-CD2 3.56Å; M33-W198 HydrophobicContact CB-CE3 4.08Å; M33-W198 HydrophobicContact CB-CG 3.69Å; M33-W198 HydrophobicContact CB-CZ2 4.27Å; M33-W198 HydrophobicContact CG-CD2 3.66Å; M33-W198 VanDerWaalsContact CG-CE2 3.44Å; M33-W198 HydrophobicContact CG-CE3 3.9Å; M33-W198 HydrophobicContact CG-CG 4.31Å; M33-W198 HydrophobicContact CG-CH2 3.78Å; M33-W198 HydrophobicContact CG-CZ2 3.51Å; M33-W198 HydrophobicContact CG-CZ3 3.97Å; M33-W198 HydrophobicContact SD-CD2 4.33Å; M33-W198 HydrophobicContact SD-CH2 3.96Å; M33-W198 HydrophobicContact SD-CZ2 3.26Å; M33-W198 WeakPolarHBondContact SD-CZ2 3.36Å
34D96.9Very high97.6Very high43 Ų4355 Ų5523%0.2325%0.254CS..  trans-87.7153.6-174.8-163.8-5.2000112.3I32 R38 R171 T172 S173 W198I32-D34 VanDerWaalsContact C-N 3.25Å; I32-D34 HydrophobicContact CG2-CB 4.38Å; I32-D34 PolarHBondContact O-N 3Å; D34-R38 VanDerWaalsContact CG-NH2 3.3Å; D34-R38 IonicContact OD1-NH2 2.96Å; D34-R38 PolarHBondContact OD1-NH2 3.17Å; D34-R38 IonicContact OD2-NH2 2.8Å; D34-R38 PolarHBondContact OD2-NH2 3.47Å; D34-R171 IonicContact OD2-CZ 3.47Å; D34-R171 IonicContact OD2-NE 3.93Å; D34-R171 IonicContact OD2-NH2 3.94Å; D34-R171 PolarHBondContact OD2-NH2 2.94Å; D34-T172 PolarHBondContact N-OG1 2.87Å; D34-T172 PolarHBondContact O-OG1 3.12Å; D34-S173 WeakPolarHBondContact CB-OG 3.32Å; D34-S173 PolarHBondContact OD2-OG 3.08Å; D34-W198 WeakPolarHBondContact O-CB 3.37Å; D34-W198 PolarHBondContact O-N 3.4Å
35G96.9Very high97.5Very high2 Ų255.5 Ų55.52%0.02126%0.256CS..  trans110.4-3.517400000115.8R37 R38 Y39G35-R37 VanDerWaalsContact C-N 3.35Å; G35-R37 PolarHBondContact O-N 2.94Å; G35-R38 WeakPolarHBondContact O-CB 3.45Å; G35-R38 PolarHBondContact O-N 3.1Å; G35-Y39 WeakPolarHBondContact O-CB 3.5Å; G35-Y39 PolarHBondContact O-N 3.44Å
36N97.4Very high97.4Very high23 Ų2360.8 Ų60.812%0.12328%0.28CS..Hα-helixtrans-53.7-45-175.9-60.6-42.9000113.8M33 Y39 A40 P199M33-N36 PolarHBondContact O-ND2 3.24Å; N36-Y39 WeakPolarHBondContact O-CB 3.36Å; N36-Y39 PolarHBondContact O-N 2.9Å; N36-A40 PolarHBondContact O-N 2.65Å; N36-P199 WeakPolarHBondContact OD1-CD 3.23Å; N36-P199 VanDerWaalsContact OD1-CG 3.27Å; N36-P199 WeakPolarHBondContact OD1-CG 3.36Å
37R96.1Very high97.1Very high109 Ų10967.3 Ų67.341%0.41130%0.304SS..Hα-helixtrans-69.7-36.5178.7-61.4-175.1-62.8-177.93.3113G35 Y39 A40 K41 E89G35-R37 VanDerWaalsContact C-N 3.35Å; G35-R37 PolarHBondContact O-N 2.94Å; R37-Y39 VanDerWaalsContact C-N 3.33Å; R37-A40 PolarHBondContact O-N 3.24Å; R37-K41 PolarHBondContact O-N 3.32Å; R37-K41 VanDerWaalsContact O-N 3.09Å; R37-E89 WeakPolarHBondContact CD-OE1 3.49Å; R37-E89 IonicContact CZ-OE1 3.6Å; R37-E89 IonicContact NE-OE1 3.97Å; R37-E89 IonicContact NH1-OE1 3.58Å; R37-E89 PolarHBondContact NH1-OE1 3.2Å; R37-E89 IonicContact NH1-OE2 2.76Å
38R97.8Very high97Very high92 Ų9262.9 Ų62.935%0.34729%0.286SS..Hα-helixtrans-67.1-39.5176.3-77.8174-83.6-169.7-8.4110.2D34 G35 K41 K42 S173 E175 L197D34-R38 VanDerWaalsContact CG-NH2 3.3Å; D34-R38 IonicContact OD1-NH2 2.96Å; D34-R38 PolarHBondContact OD1-NH2 3.17Å; D34-R38 IonicContact OD2-NH2 2.8Å; D34-R38 PolarHBondContact OD2-NH2 3.47Å; G35-R38 WeakPolarHBondContact O-CB 3.45Å; G35-R38 PolarHBondContact O-N 3.1Å; R38-K41 PolarHBondContact O-N 3.49Å; R38-K42 WeakPolarHBondContact O-CB 3.26Å; R38-K42 PolarHBondContact O-N 3.16Å; R38-S173 VanDerWaalsContact CZ-CB 3.49Å; R38-S173 PolarHBondContact NH1-O 2.87Å; R38-S173 PolarHBondContact NH2-OG 3.45Å; R38-E175 IonicContact CZ-OE1 3.76Å; R38-E175 IonicContact NH1-OE1 3.96Å; R38-E175 PolarHBondContact NH1-OE1 2.98Å; R38-E175 IonicContact NH2-OE1 3.53Å; R38-L197 HydrophobicContact CB-CD1 4.12Å; R38-L197 HydrophobicContact CB-CD2 3.95Å
39Y98.3Very high96.8Very high43 Ų4366.5 Ų66.517%0.16930%0.302CS..Hα-helixtrans-63.2-48.1173.7171.3-96.2000111.4G35 N36 R37 K41 K42 C43 Q53 P199 E200G35-Y39 WeakPolarHBondContact O-CB 3.5Å; G35-Y39 PolarHBondContact O-N 3.44Å; N36-Y39 WeakPolarHBondContact O-CB 3.36Å; N36-Y39 PolarHBondContact O-N 2.9Å; R37-Y39 VanDerWaalsContact C-N 3.33Å; Y39-K41 VanDerWaalsContact C-N 3.29Å; Y39-K41 PolarHBondContact O-N 3.28Å; Y39-K42 WeakPolarHBondContact O-CB 3.29Å; Y39-K42 PolarHBondContact O-N 3.41Å; Y39-C43 WeakPolarHBondContact CE2-SG 3.43Å; Y39-C43 VanDerWaalsContact CZ-SG 3.58Å; Y39-C43 PolarHBondContact O-N 3.16Å; Y39-Q53 HydrophobicContact CE1-CB 4.04Å; Y39-Q53 HydrophobicContact CE1-CG 4.15Å; Y39-P199 HydrophobicContact CD1-CB 3.59Å; Y39-P199 HydrophobicContact CD1-CG 3.62Å; Y39-P199 HydrophobicContact CD2-CB 3.88Å; Y39-P199 HydrophobicContact CD2-CG 4.34Å; Y39-P199 HydrophobicContact CE1-CB 3.75Å; Y39-P199 HydrophobicContact CE1-CG 4.25Å; Y39-P199 HydrophobicContact CE2-CB 4.02Å; Y39-P199 HydrophobicContact CG-CB 3.65Å; Y39-P199 HydrophobicContact CG-CG 3.66Å; Y39-E200 HydrophobicContact CD2-CG 3.49Å; Y39-E200 VanDerWaalsContact CD2-CG 3.49Å; Y39-E200 HydrophobicContact CE2-CG 3.61Å
40A97.5Very high96.7Very high1 Ų166.5 Ų66.51%0.00830%0.302CS..Hα-helixtrans-54.4-46.6176.400000111.9N36 R37 C43 Q44 V45N36-A40 PolarHBondContact O-N 2.65Å; R37-A40 PolarHBondContact O-N 3.24Å; A40-C43 PolarHBondContact O-N 3.24Å; A40-Q44 PolarHBondContact O-N 3.02Å; A40-V45 CarbonylContact C-O 3.59Å; A40-V45 HydrophobicContact CB-CG2 4.04Å; A40-V45 PolarHBondContact O-N 3.45Å
41K97.7Very high96.5Very high176 Ų17667.4 Ų67.477%0.76531%0.307SS*.Hα-helixtrans-61.7-43.9175.2-173.6179.6178.8-177.40112.4R37 R38 Y39 C43 Q44R37-K41 PolarHBondContact O-N 3.32Å; R37-K41 VanDerWaalsContact O-N 3.09Å; R38-K41 PolarHBondContact O-N 3.49Å; Y39-K41 VanDerWaalsContact C-N 3.29Å; Y39-K41 PolarHBondContact O-N 3.28Å; K41-C43 VanDerWaalsContact C-N 3.33Å; K41-C43 PolarHBondContact O-N 2.77Å; K41-Q44 PolarHBondContact O-N 2.89Å
42K97.8Very high96.3Very high132 Ų13268.4 Ų68.457%0.57431%0.314SS*.Hα-helixtrans-60.2-42.5178.8-177.5-172.7-179.9-170.80111.7R38 Y39 Q44 L197 E200R38-K42 WeakPolarHBondContact O-CB 3.26Å; R38-K42 PolarHBondContact O-N 3.16Å; Y39-K42 WeakPolarHBondContact O-CB 3.29Å; Y39-K42 PolarHBondContact O-N 3.41Å; K42-Q44 VanDerWaalsContact C-N 3.32Å; K42-L197 HydrophobicContact CD-CD1 4.31Å; K42-E200 IonicContact NZ-OE1 2.66Å; K42-E200 PolarHBondContact NZ-OE1 3.42Å; K42-E200 IonicContact NZ-OE2 3.04Å; K42-E200 PolarHBondContact NZ-OE2 3.28Å
43C97.3Very high96.2Very high55 Ų5571 Ų7137%0.37233%0.326SS..THydrogen-bonded Turntrans-87.41.8-179.6-64.60000113.8Y39 A40 K41 V45Y39-C43 WeakPolarHBondContact CE2-SG 3.43Å; Y39-C43 VanDerWaalsContact CZ-SG 3.58Å; Y39-C43 PolarHBondContact O-N 3.16Å; A40-C43 PolarHBondContact O-N 3.24Å; K41-C43 VanDerWaalsContact C-N 3.33Å; K41-C43 PolarHBondContact O-N 2.77Å; C43-V45 HydrophobicContact CB-CG1 4.32Å; C43-V45 HydrophobicContact CB-CG2 4.19Å; C43-V45 PolarHBondContact O-N 3.23Å
44Q97.6Very high96.2Very high185 Ų18570 Ų7086%0.86432%0.322SS*.THydrogen-bonded Turntrans55.635.8-176.8-57178.5-14.800113.4A40 K41 K42A40-Q44 PolarHBondContact O-N 3.02Å; K41-Q44 PolarHBondContact O-N 2.89Å; K42-Q44 VanDerWaalsContact C-N 3.32Å
45V96.8Very high96.1Very high60 Ų6069 Ų6936%0.36432%0.316SS..  trans-109.4165.5175.4-59.60000110.8A40 C43 E49A40-V45 CarbonylContact C-O 3.59Å; A40-V45 HydrophobicContact CB-CG2 4.04Å; A40-V45 PolarHBondContact O-N 3.45Å; C43-V45 HydrophobicContact CB-CG1 4.32Å; C43-V45 HydrophobicContact CB-CG2 4.19Å; C43-V45 PolarHBondContact O-N 3.23Å; V45-E49 HydrophobicContact CB-CB 4.24Å; V45-E49 HydrophobicContact CB-CG 4.18Å; V45-E49 HydrophobicContact CG2-CB 4.17Å; V45-E49 HydrophobicContact CG2-CG 4.12Å
46E94.6Very high96Very high154 Ų15469.8 Ų69.872%0.7232%0.32SS*.  trans-64.3153.4175.7-63.8-167.4164.200112.3Q48 E49 G50E46-Q48 PolarHBondContact O-N 3.15Å; E46-E49 WeakPolarHBondContact O-CB 3.22Å; E46-E49 PolarHBondContact O-N 3.43Å; E46-E49 VanDerWaalsContact O-N 3.1Å; E46-G50 PolarHBondContact O-N 2.79Å; E46-G50 VanDerWaalsContact O-N 3.16Å
47R93.2Very high96Very high141 Ų14170 Ų7053%0.53232%0.319SS..Hα-helixtrans-58-39179.3-68.9-174.4-173.7164.910.4112.3E49 G50 H51 E89R47-E49 VanDerWaalsContact C-N 3.28Å; R47-E49 PolarHBondContact O-N 2.76Å; R47-G50 PolarHBondContact O-N 3.33Å; R47-G50 VanDerWaalsContact O-N 3.16Å; R47-H51 PolarHBondContact O-CD2 2.68Å; R47-H51 VanDerWaalsContact O-CD2 3.24Å; R47-H51 PolarHBondContact O-N 3.03Å; R47-H51 VanDerWaalsContact O-N 3.1Å; R47-E89 IonicContact CZ-OE2 2.69Å; R47-E89 IonicContact NH1-OE2 3.39Å; R47-E89 PolarHBondContact NH1-OE2 3.32Å
48Q92Very high96Very high67 Ų6765.5 Ų65.531%0.31330%0.303SS..Hα-helixtrans-60.6-41179-17263.21200111.2E46 G50 H51 S52 G92E46-Q48 PolarHBondContact O-N 3.15Å; Q48-G50 PolarHBondContact O-N 2.74Å; Q48-H51 PolarHBondContact O-N 2.95Å; Q48-S52 PolarHBondContact O-N 3.16Å; Q48-G92 PolarHBondContact NE2-O 3.06Å; Q48-G92 PolarHBondContact OE1-O 3.23Å
49E93.9Very high95.7Very high77 Ų7761.2 Ų61.236%0.3629%0.287SS..Hα-helixtrans-64.7-40175.6-177.253.7-152.600111.4V45 E46 R47 H51 S52 Q53V45-E49 HydrophobicContact CB-CB 4.24Å; V45-E49 HydrophobicContact CB-CG 4.18Å; V45-E49 HydrophobicContact CG2-CB 4.17Å; V45-E49 HydrophobicContact CG2-CG 4.12Å; E46-E49 WeakPolarHBondContact O-CB 3.22Å; E46-E49 PolarHBondContact O-N 3.43Å; E46-E49 VanDerWaalsContact O-N 3.1Å; R47-E49 VanDerWaalsContact C-N 3.28Å; R47-E49 PolarHBondContact O-N 2.76Å; E49-H51 VanDerWaalsContact C-N 3.29Å; E49-H51 PolarHBondContact O-N 2.76Å; E49-S52 WeakPolarHBondContact O-CB 3.1Å; E49-S52 PolarHBondContact O-N 2.83Å; E49-S52 VanDerWaalsContact O-N 3.17Å; E49-Q53 WeakPolarHBondContact O-CG 3.37Å; E49-Q53 PolarHBondContact O-N 3.34Å; E49-Q53 WeakPolarHBondContact OE1-CG 3.44Å; E49-Q53 PolarHBondContact OE1-NE2 3Å
50G96.1Very high95.6Very high0 Ų061.3 Ų61.30%029%0.289CS..Hα-helixtrans-58-38.9172.700000113.7E46 R47 Q48 G54E46-G50 PolarHBondContact O-N 2.79Å; E46-G50 VanDerWaalsContact O-N 3.16Å; R47-G50 PolarHBondContact O-N 3.33Å; R47-G50 VanDerWaalsContact O-N 3.16Å; Q48-G50 PolarHBondContact O-N 2.74Å; G50-G54 PolarHBondContact O-N 2.92Å
51H94.4Very high95.6Very high19 Ų1961.3 Ų61.39%0.08829%0.29CS..Hα-helixtrans-71.4-39.2174.6-74.7-66.6000112.7R47 Q48 E49 Q53 G54 F55 L93 L96R47-H51 PolarHBondContact O-CD2 2.68Å; R47-H51 VanDerWaalsContact O-CD2 3.24Å; R47-H51 PolarHBondContact O-N 3.03Å; R47-H51 VanDerWaalsContact O-N 3.1Å; Q48-H51 PolarHBondContact O-N 2.95Å; E49-H51 VanDerWaalsContact C-N 3.29Å; E49-H51 PolarHBondContact O-N 2.76Å; H51-Q53 VanDerWaalsContact C-N 3.34Å; H51-Q53 PolarHBondContact O-N 2.79Å; H51-G54 WeakPolarHBondContact O-CA 3.11Å; H51-G54 PolarHBondContact O-N 3.42Å; H51-G54 VanDerWaalsContact O-N 3.17Å; H51-F55 PolarHBondContact O-N 3Å; H51-L93 HydrophobicContact CB-CD2 4.14Å; H51-L96 HydrophobicContact CB-CD2 3.94Å
52S94.3Very high95.3Very high24 Ų2455.6 Ų55.617%0.16827%0.267CS..Hα-helixtrans-58-45.4172.7-176.70000111.5Q48 E49 G54 F55 N56Q48-S52 PolarHBondContact O-N 3.16Å; E49-S52 WeakPolarHBondContact O-CB 3.1Å; E49-S52 PolarHBondContact O-N 2.83Å; E49-S52 VanDerWaalsContact O-N 3.17Å; S52-G54 VanDerWaalsContact C-N 3.34Å; S52-G54 PolarHBondContact O-N 3.01Å; S52-F55 WeakPolarHBondContact O-CB 3.11Å; S52-F55 PolarHBondContact O-N 2.89Å; S52-N56 PolarHBondContact O-N 2.85Å
53Q96.6Very high95.1Very high62 Ų6251.9 Ų51.929%0.2925%0.25SC..Hα-helixtrans-66.4-35.9174.9-65.6-61.4-4.900112.6Y39 E49 H51 F55 N56 K57 P199Y39-Q53 HydrophobicContact CE1-CB 4.04Å; Y39-Q53 HydrophobicContact CE1-CG 4.15Å; E49-Q53 WeakPolarHBondContact O-CG 3.37Å; E49-Q53 PolarHBondContact O-N 3.34Å; E49-Q53 WeakPolarHBondContact OE1-CG 3.44Å; E49-Q53 PolarHBondContact OE1-NE2 3Å; H51-Q53 VanDerWaalsContact C-N 3.34Å; H51-Q53 PolarHBondContact O-N 2.79Å; Q53-F55 VanDerWaalsContact C-N 3.31Å; Q53-F55 PolarHBondContact O-N 3.02Å; Q53-N56 WeakPolarHBondContact O-CB 3.22Å; Q53-N56 PolarHBondContact O-N 3.23Å; Q53-N56 VanDerWaalsContact O-N 3.14Å; Q53-N56 PolarHBondContact OE1-ND2 3.27Å; Q53-K57 PolarHBondContact O-N 3.33Å; Q53-P199 HydrophobicContact CB-CB 4.09Å
54G96.5Very high95.1Very high4 Ų449.9 Ų49.94%0.04123%0.234CC..Hα-helixtrans-57.5-42.917100000112.5G50 H51 S52 K57 L58 W198G50-G54 PolarHBondContact O-N 2.92Å; H51-G54 WeakPolarHBondContact O-CA 3.11Å; H51-G54 PolarHBondContact O-N 3.42Å; H51-G54 VanDerWaalsContact O-N 3.17Å; S52-G54 VanDerWaalsContact C-N 3.34Å; S52-G54 PolarHBondContact O-N 3.01Å; G54-K57 PolarHBondContact O-N 2.93Å; G54-L58 PolarHBondContact O-N 3.14Å; G54-W198 VanDerWaalsContact CA-CD1 3.46Å; G54-W198 PolarHBondContact O-NE1 2.66Å
55F94.8Very high95.1Very high23 Ų2341.1 Ų41.110%0.10119%0.193CC..Hα-helixtrans-65.3-41.1173.4-179.6-87.9000112.3W3 H51 S52 Q53 K57 L58 A59 K100W3-F55 AromaticContact CD1-CZ 3.9Å; W3-F55 HydrophobicContact CD2-CE2 4.09Å; W3-F55 AromaticContact CD2-CZ 3.77Å; W3-F55 HydrophobicContact CD2-CZ 3.77Å; W3-F55 AromaticContact CE2-CE2 3.78Å; W3-F55 AromaticContact CE2-CZ 3.65Å; W3-F55 HydrophobicContact CE3-CE2 4.41Å; W3-F55 HydrophobicContact CE3-CZ 4.41Å; W3-F55 AromaticContact CG-CZ 3.94Å; W3-F55 HydrophobicContact CG-CZ 3.94Å; W3-F55 HydrophobicContact CH2-CE2 4.19Å; W3-F55 AromaticContact CZ2-CE2 3.84Å; W3-F55 HydrophobicContact CZ2-CE2 3.84Å; W3-F55 HydrophobicContact CZ2-CZ 4.2Å; W3-F55 HydrophobicContact CZ3-CE2 4.46Å; W3-F55 AromaticContact NE1-CZ 3.7Å; H51-F55 PolarHBondContact O-N 3Å; S52-F55 WeakPolarHBondContact O-CB 3.11Å; S52-F55 PolarHBondContact O-N 2.89Å; Q53-F55 VanDerWaalsContact C-N 3.31Å; Q53-F55 PolarHBondContact O-N 3.02Å; F55-K57 PolarHBondContact O-N 3.22Å; F55-L58 HydrophobicContact CD2-CD2 4.45Å; F55-L58 WeakPolarHBondContact O-CB 3.36Å; F55-L58 PolarHBondContact O-N 3.41Å; F55-L58 VanDerWaalsContact O-N 3.11Å; F55-A59 PolarHBondContact O-N 2.73Å; F55-A59 VanDerWaalsContact O-N 3.17Å; F55-K100 HydrophobicContact CD1-CD 3.69Å; F55-K100 HydrophobicContact CD1-CG 4.17Å; F55-K100 HydrophobicContact CD2-CB 4.45Å; F55-K100 HydrophobicContact CD2-CD 4.21Å; F55-K100 HydrophobicContact CD2-CG 3.74Å; F55-K100 HydrophobicContact CE1-CD 3.52Å; F55-K100 HydrophobicContact CE1-CG 4.04Å; F55-K100 HydrophobicContact CE2-CB 3.87Å; F55-K100 HydrophobicContact CE2-CD 4.05Å; F55-K100 HydrophobicContact CE2-CG 3.59Å; F55-K100 HydrophobicContact CG-CD 4.03Å; F55-K100 HydrophobicContact CG-CG 4.02Å; F55-K100 HydrophobicContact CZ-CB 4Å; F55-K100 HydrophobicContact CZ-CD 3.71Å; F55-K100 HydrophobicContact CZ-CG 3.74Å
56N94.8Very high94.8Very high19 Ų1942.5 Ų42.510%0.10220%0.198CC..Hα-helixtrans-59.7-34.6176.7-67.7-22.7000112.1M1 K5 S52 Q53 E60M1-N56 WeakPolarHBondContact CB-OD1 3.45Å; M1-N56 VanDerWaalsContact CG-OD1 3.26Å; M1-N56 WeakPolarHBondContact CG-OD1 3.41Å; K5-N56 PolarHBondContact NZ-O 3.28Å; S52-N56 PolarHBondContact O-N 2.85Å; Q53-N56 WeakPolarHBondContact O-CB 3.22Å; Q53-N56 PolarHBondContact O-N 3.23Å; Q53-N56 VanDerWaalsContact O-N 3.14Å; Q53-N56 PolarHBondContact OE1-ND2 3.27Å; N56-E60 PolarHBondContact O-N 2.77Å
57K97.6Very high94.8Very high27 Ų2737.6 Ų37.612%0.11718%0.177CC..Hα-helixtrans-72.5-35.4175.9-172.459.660.6178.90112.9Q53 G54 F55 E60 T61 W64 W198 P199 Y201Q53-K57 PolarHBondContact O-N 3.33Å; G54-K57 PolarHBondContact O-N 2.93Å; F55-K57 PolarHBondContact O-N 3.22Å; K57-E60 WeakPolarHBondContact CE-OE2 3.13Å; K57-E60 IonicContact NZ-OE2 3.15Å; K57-E60 PolarHBondContact NZ-OE2 2.93Å; K57-E60 PolarHBondContact O-N 3.49Å; K57-T61 WeakPolarHBondContact O-CB 3.29Å; K57-T61 PolarHBondContact O-N 3.17Å; K57-T61 PolarHBondContact O-OG1 3.35Å; K57-W64 HydrophobicContact CD-CH2 4.29Å; K57-W64 HydrophobicContact CD-CZ3 4.32Å; K57-W198 HydrophobicContact CB-CZ2 4.39Å; K57-W198 HydrophobicContact CG-CD2 4.46Å; K57-W198 HydrophobicContact CG-CZ2 4.16Å; K57-W198 WeakPolarHBondContact CG-O 3.37Å; K57-P199 WeakPolarHBondContact CE-O 3.35Å; K57-Y201 VanDerWaalsContact CD-O 3.22Å; K57-Y201 WeakPolarHBondContact CD-O 3.15Å; K57-Y201 WeakPolarHBondContact CE-O 3.48Å; K57-Y201 PolarHBondContact NZ-O 3.41Å
58L96Very high94.9Very high14 Ų1431.1 Ų31.17%0.07315%0.153CC..Hα-helixtrans-56.2-54.7171.7172.760.4000111.1M33 G54 F55 E60 T61 L62 V75 W198M33-L58 HydrophobicContact CE-CD2 4.49Å; M33-L58 HydrophobicContact SD-CB 4.16Å; M33-L58 HydrophobicContact SD-CD1 3.99Å; M33-L58 HydrophobicContact SD-CD2 4.4Å; M33-L58 HydrophobicContact SD-CG 4.42Å; G54-L58 PolarHBondContact O-N 3.14Å; F55-L58 HydrophobicContact CD2-CD2 4.45Å; F55-L58 WeakPolarHBondContact O-CB 3.36Å; F55-L58 PolarHBondContact O-N 3.41Å; F55-L58 VanDerWaalsContact O-N 3.11Å; L58-E60 PolarHBondContact O-N 3.48Å; L58-T61 PolarHBondContact O-N 3.09Å; L58-T61 VanDerWaalsContact O-N 3.08Å; L58-L62 HydrophobicContact CD1-CD1 4.12Å; L58-L62 HydrophobicContact CD1-CD2 4.39Å; L58-L62 HydrophobicContact CD1-CG 4.01Å; L58-L62 HydrophobicContact CG-CD1 4.19Å; L58-L62 HydrophobicContact CG-CG 4.48Å; L58-L62 WeakPolarHBondContact O-CG 3.43Å; L58-L62 PolarHBondContact O-N 2.86Å; L58-V75 HydrophobicContact CD1-CB 4.29Å; L58-V75 HydrophobicContact CD1-CG1 3.57Å; L58-V75 HydrophobicContact CD1-CG2 4.11Å; L58-V75 HydrophobicContact CD2-CG2 4.14Å; L58-W198 HydrophobicContact CB-CZ2 4.13Å
59A92.3Very high95Very high2 Ų230.3 Ų30.32%0.01716%0.162CC..Hα-helixtrans-58.6-36.3179.700000112.6K5 F55 R63K5-A59 HydrophobicContact CD-CB 4.21Å; K5-A59 HydrophobicContact CG-CB 4.14Å; F55-A59 PolarHBondContact O-N 2.73Å; F55-A59 VanDerWaalsContact O-N 3.17Å; A59-R63 PolarHBondContact O-N 3Å
60E95.8Very high95Very high45 Ų4526.8 Ų26.821%0.2115%0.146CC..Hα-helixtrans-69.7-40.3175.9-177.3170.9-142.100112.7K5 N56 K57 L58 R63 W64K5-E60 HydrophobicContact CD-CB 4.12Å; N56-E60 PolarHBondContact O-N 2.77Å; K57-E60 WeakPolarHBondContact CE-OE2 3.13Å; K57-E60 IonicContact NZ-OE2 3.15Å; K57-E60 PolarHBondContact NZ-OE2 2.93Å; K57-E60 PolarHBondContact O-N 3.49Å; L58-E60 PolarHBondContact O-N 3.48Å; E60-R63 WeakPolarHBondContact O-CB 3.5Å; E60-R63 PolarHBondContact O-N 2.83Å; E60-R63 IonicContact OE1-NH2 3.54Å; E60-R63 PolarHBondContact OE1-NH2 2.79Å; E60-W64 VanDerWaalsContact CD-CZ2 3.44Å; E60-W64 HydrophobicContact CG-CD2 4.28Å; E60-W64 HydrophobicContact CG-CH2 3.72Å; E60-W64 HydrophobicContact CG-CZ2 3.44Å; E60-W64 VanDerWaalsContact CG-CZ2 3.44Å; E60-W64 HydrophobicContact CG-CZ3 4.27Å; E60-W64 PolarHBondContact O-N 3.26Å; E60-W64 VanDerWaalsContact O-N 3.1Å
61T97.3Very high94.7Very high2 Ų233.6 Ų33.61%0.01218%0.181CC..Hα-helixtrans-69.8-37.8179.4-55.40000111.7F31 K57 L58 R63 W64 C65 W198F31-T61 HydrophobicContact CE1-CG2 4.1Å; F31-T61 HydrophobicContact CE2-CG2 4.16Å; F31-T61 HydrophobicContact CZ-CG2 3.68Å; K57-T61 WeakPolarHBondContact O-CB 3.29Å; K57-T61 PolarHBondContact O-N 3.17Å; K57-T61 PolarHBondContact O-OG1 3.35Å; L58-T61 PolarHBondContact O-N 3.09Å; L58-T61 VanDerWaalsContact O-N 3.08Å; T61-R63 VanDerWaalsContact C-N 3.31Å; T61-R63 PolarHBondContact O-N 2.95Å; T61-W64 HydrophobicContact CG2-CE3 4.36Å; T61-W64 PolarHBondContact O-N 2.94Å; T61-C65 PolarHBondContact O-N 2.82Å; T61-C65 PolarHBondContact O-SG 2.86Å; T61-W198 HydrophobicContact CG2-CH2 4.32Å
62L92.6Very high94.6Very high56 Ų5634.2 Ų34.229%0.29318%0.184SC..Hα-helixtrans-59.8-42.6172.9-69.2176.1000111.4L58 W64 C65 L66 V73L58-L62 HydrophobicContact CD1-CD1 4.12Å; L58-L62 HydrophobicContact CD1-CD2 4.39Å; L58-L62 HydrophobicContact CD1-CG 4.01Å; L58-L62 HydrophobicContact CG-CD1 4.19Å; L58-L62 HydrophobicContact CG-CG 4.48Å; L58-L62 WeakPolarHBondContact O-CG 3.43Å; L58-L62 PolarHBondContact O-N 2.86Å; L62-W64 PolarHBondContact O-N 3.42Å; L62-C65 PolarHBondContact O-N 3.02Å; L62-L66 PolarHBondContact O-N 2.97Å; L62-V73 HydrophobicContact CD2-CB 3.62Å; L62-V73 HydrophobicContact CD2-CG1 3.74Å; L62-V73 HydrophobicContact CD2-CG2 3.91Å
63R93.3Very high94.7Very high54 Ų5434.9 Ų34.920%0.20419%0.187CC..Hα-helixtrans-59.8-44.6173.5178.8-172.565.3-178.90.6111.8K5 E6 G7 A59 E60 T61 L66 N67K5-R63 WeakPolarHBondContact O-CB 3.45Å; K5-R63 WeakPolarHBondContact O-CD 3.48Å; K5-R63 VanDerWaalsContact O-CG 3.29Å; K5-R63 WeakPolarHBondContact O-CG 3.39Å; E6-R63 PolarHBondContact O-NH1 3.09Å; G7-R63 WeakPolarHBondContact O-CD 3.46Å; A59-R63 PolarHBondContact O-N 3Å; E60-R63 WeakPolarHBondContact O-CB 3.5Å; E60-R63 PolarHBondContact O-N 2.83Å; E60-R63 IonicContact OE1-NH2 3.54Å; E60-R63 PolarHBondContact OE1-NH2 2.79Å; T61-R63 VanDerWaalsContact C-N 3.31Å; T61-R63 PolarHBondContact O-N 2.95Å; R63-L66 PolarHBondContact O-N 2.81Å; R63-N67 PolarHBondContact O-N 3.07Å
64W97.4Very high94.7Very high13 Ų1332.9 Ų32.95%0.04918%0.179CC..Hα-helixtrans-61.7-44.1176.1-64.5-37.7000112.2K57 E60 T61 L62 L66 N67 L68 Y201 T202 F203 L206K57-W64 HydrophobicContact CD-CH2 4.29Å; K57-W64 HydrophobicContact CD-CZ3 4.32Å; E60-W64 VanDerWaalsContact CD-CZ2 3.44Å; E60-W64 HydrophobicContact CG-CD2 4.28Å; E60-W64 HydrophobicContact CG-CH2 3.72Å; E60-W64 HydrophobicContact CG-CZ2 3.44Å; E60-W64 VanDerWaalsContact CG-CZ2 3.44Å; E60-W64 HydrophobicContact CG-CZ3 4.27Å; E60-W64 PolarHBondContact O-N 3.26Å; E60-W64 VanDerWaalsContact O-N 3.1Å; T61-W64 HydrophobicContact CG2-CE3 4.36Å; T61-W64 PolarHBondContact O-N 2.94Å; L62-W64 PolarHBondContact O-N 3.42Å; W64-L66 VanDerWaalsContact C-N 3.35Å; W64-L66 PolarHBondContact O-N 2.81Å; W64-N67 PolarHBondContact O-N 3.43Å; W64-L68 WeakPolarHBondContact O-CB 3.47Å; W64-L68 VanDerWaalsContact O-CG 3.25Å; W64-L68 WeakPolarHBondContact O-CG 3.4Å; W64-L68 PolarHBondContact O-N 3.44Å; W64-Y201 HydrophobicContact CZ3-CD1 4.34Å; W64-T202 VanDerWaalsContact CZ3-C 3.48Å; W64-F203 HydrophobicContact CB-CD2 4.26Å; W64-F203 AromaticContact CD1-CD2 3.98Å; W64-F203 HydrophobicContact CD2-CB 4.2Å; W64-F203 HydrophobicContact CD2-CD2 4.45Å; W64-F203 HydrophobicContact CG-CD2 4.01Å; W64-F203 HydrophobicContact CZ2-CB 4.26Å; W64-L206 HydrophobicContact CB-CD2 3.83Å
65C96Very high94.6Very high1 Ų134.7 Ų34.71%0.00719%0.189CC..Hα-helixtrans-58.2-47.6176.3-65.60000111.1T61 L62 N67 L68 G69 I70 V73T61-C65 PolarHBondContact O-N 2.82Å; T61-C65 PolarHBondContact O-SG 2.86Å; L62-C65 PolarHBondContact O-N 3.02Å; C65-N67 PolarHBondContact O-N 3.13Å; C65-L68 CarbonylContact O-C 3.58Å; C65-L68 WeakPolarHBondContact O-CA 3.27Å; C65-L68 WeakPolarHBondContact O-CB 3.33Å; C65-L68 PolarHBondContact O-N 2.92Å; C65-L68 VanDerWaalsContact O-N 3.08Å; C65-G69 PolarHBondContact O-N 3.32Å; C65-G69 VanDerWaalsContact O-N 3.12Å; C65-I70 CarbonylContact C-O 3.56Å; C65-I70 HydrophobicContact CB-CB 4.05Å; C65-I70 HydrophobicContact CB-CG2 4.39Å; C65-I70 WeakPolarHBondContact O-CB 3.27Å; C65-I70 PolarHBondContact O-N 3.11Å; C65-V73 HydrophobicContact CB-CG2 3.86Å
66L91.2Very high94.6Very high88 Ų8836.5 Ų36.546%0.46120%0.196SC..Hα-helixtrans-60.1-46177.6-17562.4000112.1L62 R63 W64 L68 G69 L71L62-L66 PolarHBondContact O-N 2.97Å; R63-L66 PolarHBondContact O-N 2.81Å; W64-L66 VanDerWaalsContact C-N 3.35Å; W64-L66 PolarHBondContact O-N 2.81Å; L66-L68 PolarHBondContact O-N 3.44Å; L66-G69 PolarHBondContact O-N 2.93Å; L66-L71 HydrophobicContact CD1-CD2 4.32Å
67N94Very high94.3Very high52 Ų5239.3 Ų39.328%0.27822%0.222SC..Hα-helixtrans-62.7-28.2176.2-72.4-15.2000112.9G7 L9 K21 R63 W64 C65 G69G7-N67 PolarHBondContact O-ND2 3.23Å; L9-N67 HydrophobicContact CD1-CB 4.02Å; L9-N67 HydrophobicContact CD2-CB 4.02Å; L9-N67 HydrophobicContact CG-CB 3.79Å; K21-N67 PolarHBondContact NZ-O 3.22Å; R63-N67 PolarHBondContact O-N 3.07Å; W64-N67 PolarHBondContact O-N 3.43Å; C65-N67 PolarHBondContact O-N 3.13Å; N67-G69 VanDerWaalsContact C-N 3.3Å
68L96.1Very high94Very high5 Ų540.6 Ų40.63%0.02623%0.228CC..THydrogen-bonded Turntrans-82.3-5.2174.2-68.4171.4000113.2L9 A17 K21 M25 W64 C65 L66 I70 F203 L206 I210L9-L68 HydrophobicContact CD1-CD2 4.36Å; A17-L68 HydrophobicContact CB-CD2 3.51Å; K21-L68 WeakPolarHBondContact CE-O 3.47Å; M25-L68 HydrophobicContact CE-CB 4.36Å; W64-L68 WeakPolarHBondContact O-CB 3.47Å; W64-L68 VanDerWaalsContact O-CG 3.25Å; W64-L68 WeakPolarHBondContact O-CG 3.4Å; W64-L68 PolarHBondContact O-N 3.44Å; C65-L68 CarbonylContact O-C 3.58Å; C65-L68 WeakPolarHBondContact O-CA 3.27Å; C65-L68 WeakPolarHBondContact O-CB 3.33Å; C65-L68 PolarHBondContact O-N 2.92Å; C65-L68 VanDerWaalsContact O-N 3.08Å; L66-L68 PolarHBondContact O-N 3.44Å; L68-I70 VanDerWaalsContact C-N 3.33Å; L68-I70 HydrophobicContact CB-CD1 3.89Å; L68-I70 HydrophobicContact CB-CG1 4.05Å; L68-I70 HydrophobicContact CD1-CD1 4.21Å; L68-F203 HydrophobicContact CD1-CE2 4.03Å; L68-F203 HydrophobicContact CD2-CE2 4.12Å; L68-F203 HydrophobicContact CD2-CZ 4.25Å; L68-F203 HydrophobicContact CG-CE2 4.25Å; L68-L206 HydrophobicContact CD1-CD2 3.85Å; L68-L206 HydrophobicContact CD1-CG 4.3Å; L68-I210 HydrophobicContact CD1-CD1 3.7Å
69G93.8Very high93.7Very high49 Ų4940.6 Ų40.651%0.50523%0.229SC..THydrogen-bonded Turntrans77.218.7-176.500000113.7C65 L66 N67C65-G69 PolarHBondContact O-N 3.32Å; C65-G69 VanDerWaalsContact O-N 3.12Å; L66-G69 PolarHBondContact O-N 2.93Å; N67-G69 VanDerWaalsContact C-N 3.3Å
70I95Very high93.5Very high3 Ų344.7 Ų44.72%0.01525%0.249CC..  trans-91.7106.7176.7-55168000106.8M25 P26 I29 C65 L68 I210M25-I70 HydrophobicContact CE-CD1 4.24Å; M25-I70 HydrophobicContact CE-CG1 4.27Å; P26-I70 HydrophobicContact CG-CD1 4.03Å; P26-I70 HydrophobicContact CG-CG1 4.38Å; I29-I70 HydrophobicContact CD1-CD1 3.73Å; I29-I70 HydrophobicContact CD1-CG2 4.24Å; I29-I70 HydrophobicContact CG1-CG2 4.09Å; C65-I70 CarbonylContact C-O 3.56Å; C65-I70 HydrophobicContact CB-CB 4.05Å; C65-I70 HydrophobicContact CB-CG2 4.39Å; C65-I70 WeakPolarHBondContact O-CB 3.27Å; C65-I70 PolarHBondContact O-N 3.11Å; L68-I70 VanDerWaalsContact C-N 3.33Å; L68-I70 HydrophobicContact CB-CD1 3.89Å; L68-I70 HydrophobicContact CB-CG1 4.05Å; L68-I70 HydrophobicContact CD1-CD1 4.21Å; I70-I210 HydrophobicContact CD1-CD1 3.83Å
71L88.7Confident93.1Very high144 Ų14447.8 Ų47.875%0.75426%0.264SS*.  trans-91.6-13-165.1-55.6-177.3000113.6L66L66-L71 HydrophobicContact CD1-CD2 4.32Å
72E93.4Very high92.8Very high31 Ų3149 Ų4915%0.14527%0.271CS..EExtended strand (participates in β ladder)trans-127.8131.6-179.6-166.9167.1-153.200112.6K27 H28 I29 R119 S163 P164K27-E72 PolarHBondContact O-N 3.43Å; H28-E72 WeakPolarHBondContact CA-O 3.33Å; H28-E72 HydrophobicContact CB-CB 4.04Å; H28-E72 HydrophobicContact CB-CG 4.35Å; H28-E72 PolarHBondContact CD2-O 2.61Å; H28-E72 IonicContact CG-OE2 3.61Å; H28-E72 IonicContact ND1-OE2 2.65Å; I29-E72 PolarHBondContact N-O 3.48Å; I29-E72 VanDerWaalsContact N-O 3.08Å; E72-R119 IonicContact OE1-CZ 3.03Å; E72-R119 IonicContact OE1-NH2 2.91Å; E72-R119 PolarHBondContact OE1-NH2 2.82Å; E72-S163 WeakPolarHBondContact OE1-CA 3.42Å; E72-S163 WeakPolarHBondContact OE1-CB 3.29Å; E72-S163 PolarHBondContact OE1-OG 3.48Å; E72-P164 WeakPolarHBondContact OE2-CD 3.29Å; E72-P164 WeakPolarHBondContact OE2-CG 3.19Å
73V95Very high92.7Very high38 Ų3850 Ų5023%0.2327%0.272CS..EExtended strand (participates in β ladder)trans-136.7128.1177.8-179.60000110.1I29 F31 L62 C65 V75I29-V73 CarbonylContact O-C 3.51Å; I29-V73 VanDerWaalsContact O-CA 3.24Å; I29-V73 WeakPolarHBondContact O-CA 3.44Å; F31-V73 HydrophobicContact CD2-CG1 3.7Å; F31-V73 HydrophobicContact CE2-CG1 3.75Å; L62-V73 HydrophobicContact CD2-CB 3.62Å; L62-V73 HydrophobicContact CD2-CG1 3.74Å; L62-V73 HydrophobicContact CD2-CG2 3.91Å; C65-V73 HydrophobicContact CB-CG2 3.86Å; V73-V75 HydrophobicContact CG1-CG1 3.83Å
74T96.6Very high92.6Very high20 Ų2054.8 Ų54.812%0.12330%0.295CS..EExtended strand (participates in β ladder)trans-111.1134.6171.6-620000110.1H28 I29 A30 F31 F181 L182H28-T74 PolarHBondContact CE1-OG1 3.39Å; H28-T74 VanDerWaalsContact CE1-OG1 3.27Å; H28-T74 WeakPolarHBondContact NE2-CB 3.37Å; H28-T74 PolarHBondContact NE2-OG1 3.12Å; I29-T74 PolarHBondContact O-N 3.32Å; A30-T74 CarbonylContact C-O 3.49Å; A30-T74 WeakPolarHBondContact CA-O 3.03Å; F31-T74 PolarHBondContact N-O 2.97Å; T74-F181 HydrophobicContact CG2-CZ 4.01Å; T74-L182 HydrophobicContact CG2-CD1 3.96Å
75V94.9Very high92.4Very high42 Ų4257.4 Ų57.426%0.25531%0.305SS..EExtended strand (participates in β ladder)trans-128.9140.9-178.4-57.70000112.5F31 M33 L58 V73 A77F31-V75 HydrophobicContact CB-CG1 4.14Å; F31-V75 HydrophobicContact CD2-CG1 4.24Å; F31-V75 WeakPolarHBondContact O-CA 3.32Å; M33-V75 HydrophobicContact CE-CB 3.76Å; M33-V75 HydrophobicContact CE-CG2 3.85Å; M33-V75 HydrophobicContact CG-CB 4.47Å; M33-V75 HydrophobicContact SD-CB 3.89Å; M33-V75 HydrophobicContact SD-CG1 4.16Å; M33-V75 HydrophobicContact SD-CG2 4.35Å; L58-V75 HydrophobicContact CD1-CB 4.29Å; L58-V75 HydrophobicContact CD1-CG1 3.57Å; L58-V75 HydrophobicContact CD1-CG2 4.11Å; L58-V75 HydrophobicContact CD2-CG2 4.14Å; V73-V75 HydrophobicContact CG1-CG1 3.83Å; V75-A77 PolarHBondContact O-N 3.14Å
76Y94.2Very high92.2Very high61 Ų6160.5 Ų60.524%0.23933%0.326CS..EExtended strand (participates in β ladder)trans-89.192.4175.6-156.1-167.9000110.5F31 S79 F181F31-Y76 PolarHBondContact O-N 3.23Å; Y76-S79 VanDerWaalsContact CZ-CB 3.43Å; Y76-S79 WeakPolarHBondContact OH-CB 3.34Å; Y76-F181 VanDerWaalsContact CB-CE2 3.48Å; Y76-F181 HydrophobicContact CD1-CB 3.61Å; Y76-F181 HydrophobicContact CD1-CD1 4.38Å; Y76-F181 AromaticContact CD1-CD2 3.56Å; Y76-F181 HydrophobicContact CD1-CD2 3.56Å; Y76-F181 HydrophobicContact CD1-CE2 4.31Å; Y76-F181 AromaticContact CD1-CG 3.6Å; Y76-F181 HydrophobicContact CD1-CG 3.6Å; Y76-F181 AromaticContact CD2-CD2 3.54Å; Y76-F181 HydrophobicContact CD2-CD2 3.54Å; Y76-F181 AromaticContact CD2-CE2 3.76Å; Y76-F181 HydrophobicContact CD2-CE2 3.76Å; Y76-F181 HydrophobicContact CD2-CG 4.41Å; Y76-F181 HydrophobicContact CE1-CB 3.67Å; Y76-F181 AromaticContact CE1-CD2 3.99Å; Y76-F181 HydrophobicContact CE1-CD2 3.99Å; Y76-F181 HydrophobicContact CE1-CG 4.08Å; Y76-F181 AromaticContact CE2-CD2 3.94Å; Y76-F181 HydrophobicContact CE2-CD2 3.94Å; Y76-F181 HydrophobicContact CE2-CE2 4.5Å; Y76-F181 HydrophobicContact CG-CB 4.28Å; Y76-F181 HydrophobicContact CG-CD1 4.46Å; Y76-F181 AromaticContact CG-CD2 3.31Å; Y76-F181 HydrophobicContact CG-CD2 3.31Å; Y76-F181 AromaticContact CG-CE2 3.62Å; Y76-F181 HydrophobicContact CG-CE2 3.62Å; Y76-F181 AromaticContact CG-CG 3.78Å; Y76-F181 HydrophobicContact CG-CG 3.78Å; Y76-F181 HydrophobicContact CG-CZ 4.29Å
77A89.9Confident92.3Very high78 Ų7863.9 Ų63.965%0.64534%0.337SS*.  trans-86.2-42.1-174.700000113.5M33 V75M33-A77 HydrophobicContact CE-CB 4.21Å; V75-A77 PolarHBondContact O-N 3.14Å
78F89.8Confident92.2Very high54 Ų5466.2 Ų66.224%0.23736%0.358CS..  trans-150.2129.1-178.9-168.1-91.4000110.2N82 F83 V90 L93 M94F78-N82 HydrophobicContact CD2-CB 4.19Å; F78-N82 HydrophobicContact CE1-CB 4.21Å; F78-N82 HydrophobicContact CE2-CB 3.78Å; F78-N82 HydrophobicContact CZ-CB 3.79Å; F78-F83 HydrophobicContact CE1-CD1 4.08Å; F78-F83 AromaticContact CE1-CD2 3.99Å; F78-F83 HydrophobicContact CE1-CD2 3.99Å; F78-F83 AromaticContact CE1-CE1 3.9Å; F78-F83 HydrophobicContact CE1-CE1 3.9Å; F78-F83 AromaticContact CE1-CE2 3.79Å; F78-F83 HydrophobicContact CE1-CE2 3.79Å; F78-F83 HydrophobicContact CE1-CG 4.12Å; F78-F83 AromaticContact CE1-CZ 3.76Å; F78-F83 HydrophobicContact CE1-CZ 3.76Å; F78-F83 HydrophobicContact CZ-CD1 4.13Å; F78-F83 HydrophobicContact CZ-CE1 4.2Å; F78-F83 HydrophobicContact CZ-CG 4.38Å; F78-V90 HydrophobicContact CZ-CG1 4.4Å; F78-L93 HydrophobicContact CD2-CB 4.42Å; F78-L93 HydrophobicContact CD2-CD1 4.03Å; F78-L93 HydrophobicContact CE2-CB 4.25Å; F78-L93 HydrophobicContact CE2-CD1 3.75Å; F78-M94 HydrophobicContact CD1-CE 4.21Å; F78-M94 HydrophobicContact CD2-CE 4.25Å; F78-M94 HydrophobicContact CE1-CE 3.68Å; F78-M94 HydrophobicContact CE2-CE 3.72Å; F78-M94 HydrophobicContact CG-CE 4.48Å; F78-M94 HydrophobicContact CZ-CE 3.4Å; F78-M94 VanDerWaalsContact CZ-CE 3.4Å
79S90.3Very high91.9Very high14 Ų1466.7 Ų66.710%0.09836%0.36CS..  trans-101154.3177.164.30000111.4Y76 E81 N82Y76-S79 VanDerWaalsContact CZ-CB 3.43Å; Y76-S79 WeakPolarHBondContact OH-CB 3.34Å; S79-E81 PolarHBondContact O-N 3.39Å; S79-N82 PolarHBondContact N-OD1 2.85Å; S79-N82 VanDerWaalsContact N-OD1 3.09Å; S79-N82 WeakPolarHBondContact O-CA 3.41Å; S79-N82 VanDerWaalsContact O-CB 3.27Å; S79-N82 WeakPolarHBondContact O-CB 3.28Å; S79-N82 PolarHBondContact O-N 3.47Å; S79-N82 PolarHBondContact OG-N 2.79Å; S79-N82 PolarHBondContact OG-ND2 2.8Å; S79-N82 PolarHBondContact OG-OD1 3.3Å
80I87.9Confident91.8Very high88 Ų8865 Ų6545%0.45134%0.34SS..G310 helixtrans-56.8-38.5173.5-63.1175.4000110.5N82 F83 D123 L126I80-N82 PolarHBondContact O-N 2.82Å; I80-N82 VanDerWaalsContact O-N 3.09Å; I80-F83 HydrophobicContact CG2-CD2 4.34Å; I80-F83 WeakPolarHBondContact O-CB 3.35Å; I80-F83 VanDerWaalsContact O-CD2 3.27Å; I80-F83 WeakPolarHBondContact O-CD2 3.36Å; I80-F83 PolarHBondContact O-N 3.14Å; I80-D123 HydrophobicContact CD1-CB 4.26Å; I80-L126 HydrophobicContact CD1-CD1 4.11Å; I80-L126 HydrophobicContact CG1-CD1 4.13Å; I80-L126 HydrophobicContact CG2-CD1 4.27Å
81E87.8Confident91.6Very high111 Ų11168.2 Ų68.252%0.51936%0.357SS..G310 helixtrans-59.5-21.7174.5-69.4-63.3127.700113.4S79 F83 K84S79-E81 PolarHBondContact O-N 3.39Å; E81-F83 VanDerWaalsContact C-N 3.28Å; E81-F83 PolarHBondContact O-N 2.89Å; E81-K84 WeakPolarHBondContact O-CB 3.4Å; E81-K84 PolarHBondContact O-N 2.87Å; E81-K84 IonicContact OE1-NZ 2.71Å; E81-K84 PolarHBondContact OE1-NZ 3.4Å; E81-K84 WeakPolarHBondContact OE2-CE 3.41Å; E81-K84 IonicContact OE2-NZ 2.66Å; E81-K84 PolarHBondContact OE2-NZ 3.28Å
82N90.1Very high91.8Very high28 Ų2862 Ų6215%0.1533%0.327CS..G310 helixtrans-75.5-14.2176.5-57.5152.5000113.7F78 S79 I80 K84 R85 V90F78-N82 HydrophobicContact CD2-CB 4.19Å; F78-N82 HydrophobicContact CE1-CB 4.21Å; F78-N82 HydrophobicContact CE2-CB 3.78Å; F78-N82 HydrophobicContact CZ-CB 3.79Å; S79-N82 PolarHBondContact N-OD1 2.85Å; S79-N82 VanDerWaalsContact N-OD1 3.09Å; S79-N82 WeakPolarHBondContact O-CA 3.41Å; S79-N82 VanDerWaalsContact O-CB 3.27Å; S79-N82 WeakPolarHBondContact O-CB 3.28Å; S79-N82 PolarHBondContact O-N 3.47Å; S79-N82 PolarHBondContact OG-N 2.79Å; S79-N82 PolarHBondContact OG-ND2 2.8Å; S79-N82 PolarHBondContact OG-OD1 3.3Å; I80-N82 PolarHBondContact O-N 2.82Å; I80-N82 VanDerWaalsContact O-N 3.09Å; N82-K84 PolarHBondContact O-N 3.31Å; N82-R85 VanDerWaalsContact CG-NH2 3.25Å; N82-R85 PolarHBondContact ND2-NE 3.11Å; N82-R85 PolarHBondContact ND2-NH2 3.06Å; N82-R85 WeakPolarHBondContact O-CB 3.38Å; N82-R85 VanDerWaalsContact O-CG 3.32Å; N82-R85 WeakPolarHBondContact O-CG 3.47Å; N82-R85 PolarHBondContact O-N 2.85Å; N82-R85 VanDerWaalsContact O-N 3.16Å; N82-R85 PolarHBondContact OD1-NH2 3.26Å; N82-V90 WeakPolarHBondContact O-CG2 3.15Å
83F91Very high91.7Very high75 Ų7561.6 Ų61.633%0.32933%0.326SS..G310 helixtrans-62.5-22.1168.2-73.3-66.6000112.7F78 I80 E81 R85 V90 M94 L126 L127F78-F83 HydrophobicContact CE1-CD1 4.08Å; F78-F83 AromaticContact CE1-CD2 3.99Å; F78-F83 HydrophobicContact CE1-CD2 3.99Å; F78-F83 AromaticContact CE1-CE1 3.9Å; F78-F83 HydrophobicContact CE1-CE1 3.9Å; F78-F83 AromaticContact CE1-CE2 3.79Å; F78-F83 HydrophobicContact CE1-CE2 3.79Å; F78-F83 HydrophobicContact CE1-CG 4.12Å; F78-F83 AromaticContact CE1-CZ 3.76Å; F78-F83 HydrophobicContact CE1-CZ 3.76Å; F78-F83 HydrophobicContact CZ-CD1 4.13Å; F78-F83 HydrophobicContact CZ-CE1 4.2Å; F78-F83 HydrophobicContact CZ-CG 4.38Å; I80-F83 HydrophobicContact CG2-CD2 4.34Å; I80-F83 WeakPolarHBondContact O-CB 3.35Å; I80-F83 VanDerWaalsContact O-CD2 3.27Å; I80-F83 WeakPolarHBondContact O-CD2 3.36Å; I80-F83 PolarHBondContact O-N 3.14Å; E81-F83 VanDerWaalsContact C-N 3.28Å; E81-F83 PolarHBondContact O-N 2.89Å; F83-R85 PolarHBondContact O-N 2.8Å; F83-V90 HydrophobicContact CD1-CG1 4.25Å; F83-M94 HydrophobicContact CE1-CE 3.92Å; F83-M94 HydrophobicContact CZ-CE 4.39Å; F83-L126 HydrophobicContact CE2-CB 4Å; F83-L126 HydrophobicContact CE2-CD1 4.3Å; F83-L126 HydrophobicContact CZ-CB 4.09Å; F83-L127 HydrophobicContact CZ-CD2 4.15Å
84K91.8Very high91.6Very high155 Ų15560.1 Ų60.167%0.67432%0.317SS*.G310 helixtrans-75.4-2.7177.2-57.6176.7-174.3168.40113.6E81 N82E81-K84 WeakPolarHBondContact O-CB 3.4Å; E81-K84 PolarHBondContact O-N 2.87Å; E81-K84 IonicContact OE1-NZ 2.71Å; E81-K84 PolarHBondContact OE1-NZ 3.4Å; E81-K84 WeakPolarHBondContact OE2-CE 3.41Å; E81-K84 IonicContact OE2-NZ 2.66Å; E81-K84 PolarHBondContact OE2-NZ 3.28Å; N82-K84 PolarHBondContact O-N 3.31Å
85R92.4Very high91.5Very high69 Ų6963.2 Ų63.226%0.2633%0.333SS..SBendtrans-77.1174.2177.4-60.8-170.9-169.4171.69.3111N82 F83 E89 V90N82-R85 VanDerWaalsContact CG-NH2 3.25Å; N82-R85 PolarHBondContact ND2-NE 3.11Å; N82-R85 PolarHBondContact ND2-NH2 3.06Å; N82-R85 WeakPolarHBondContact O-CB 3.38Å; N82-R85 VanDerWaalsContact O-CG 3.32Å; N82-R85 WeakPolarHBondContact O-CG 3.47Å; N82-R85 PolarHBondContact O-N 2.85Å; N82-R85 VanDerWaalsContact O-N 3.16Å; N82-R85 PolarHBondContact OD1-NH2 3.26Å; F83-R85 PolarHBondContact O-N 2.8Å; R85-E89 WeakPolarHBondContact CD-OE1 3.18Å; R85-E89 IonicContact CZ-OE1 3.42Å; R85-E89 IonicContact NE-OE1 3.67Å; R85-E89 IonicContact NH1-OE1 3.5Å; R85-E89 PolarHBondContact NH1-OE1 2.99Å; R85-V90 HydrophobicContact CB-CG2 4.11Å
86S93.2Very high91.3Very high66 Ų6662.1 Ų62.146%0.46233%0.325SS..  trans-61.1141.9178.255.20000111S88 E89 V90S86-S88 VanDerWaalsContact C-N 3.28Å; S86-S88 PolarHBondContact O-N 3.3Å; S86-E89 WeakPolarHBondContact O-CB 3.35Å; S86-E89 PolarHBondContact O-N 2.89Å; S86-E89 WeakPolarHBondContact OG-CB 3.26Å; S86-V90 PolarHBondContact O-N 3.02Å
87K92.7Very high91.2Very high159 Ų15960.5 Ų60.569%0.69132%0.324SS*.Hα-helixtrans-49.9-47.6179.6-179.5175.1179.3-175.90112.4E89 V90 D91K87-E89 VanDerWaalsContact C-N 3.27Å; K87-E89 PolarHBondContact O-N 3.17Å; K87-V90 PolarHBondContact O-N 3.17Å; K87-V90 VanDerWaalsContact O-N 3.16Å; K87-D91 VanDerWaalsContact CE-OD2 3.29Å; K87-D91 WeakPolarHBondContact CE-OD2 3.44Å; K87-D91 VanDerWaalsContact CG-OD2 3.26Å; K87-D91 WeakPolarHBondContact CG-OD2 3.07Å; K87-D91 WeakPolarHBondContact O-CB 3.26Å; K87-D91 PolarHBondContact O-N 2.96Å
88S91.8Very high91.3Very high101 Ų10159.3 Ų59.371%0.70630%0.303SS*.Hα-helixtrans-57.4-35176.7165.60000113.9S86 G92S86-S88 VanDerWaalsContact C-N 3.28Å; S86-S88 PolarHBondContact O-N 3.3Å; S88-G92 PolarHBondContact O-N 3.49Å; S88-G92 VanDerWaalsContact O-N 3.15Å
89E88.8Confident91.5Very high14 Ų1462.2 Ų62.27%0.06532%0.318CS..Hα-helixtrans-76.7-40.2177.7-172.2176.2140.400111.1R37 R47 R85 S86 K87 L93R37-E89 WeakPolarHBondContact CD-OE1 3.49Å; R37-E89 IonicContact CZ-OE1 3.6Å; R37-E89 IonicContact NE-OE1 3.97Å; R37-E89 IonicContact NH1-OE1 3.58Å; R37-E89 PolarHBondContact NH1-OE1 3.2Å; R37-E89 IonicContact NH1-OE2 2.76Å; R47-E89 IonicContact CZ-OE2 2.69Å; R47-E89 IonicContact NH1-OE2 3.39Å; R47-E89 PolarHBondContact NH1-OE2 3.32Å; R85-E89 WeakPolarHBondContact CD-OE1 3.18Å; R85-E89 IonicContact CZ-OE1 3.42Å; R85-E89 IonicContact NE-OE1 3.67Å; R85-E89 IonicContact NH1-OE1 3.5Å; R85-E89 PolarHBondContact NH1-OE1 2.99Å; S86-E89 WeakPolarHBondContact O-CB 3.35Å; S86-E89 PolarHBondContact O-N 2.89Å; S86-E89 WeakPolarHBondContact OG-CB 3.26Å; K87-E89 VanDerWaalsContact C-N 3.27Å; K87-E89 PolarHBondContact O-N 3.17Å; E89-L93 HydrophobicContact CG-CD1 4.47Å; E89-L93 WeakPolarHBondContact O-CG 3.4Å; E89-L93 PolarHBondContact O-N 3.2Å
90V92.6Very high91.5Very high14 Ų1462.1 Ų62.19%0.08532%0.315CS..Hα-helixtrans-64.7-47.8176.3177.50000110.5F78 N82 F83 R85 S86 K87 G92 L93 M94F78-V90 HydrophobicContact CZ-CG1 4.4Å; N82-V90 WeakPolarHBondContact O-CG2 3.15Å; F83-V90 HydrophobicContact CD1-CG1 4.25Å; R85-V90 HydrophobicContact CB-CG2 4.11Å; S86-V90 PolarHBondContact O-N 3.02Å; K87-V90 PolarHBondContact O-N 3.17Å; K87-V90 VanDerWaalsContact O-N 3.16Å; V90-G92 VanDerWaalsContact C-N 3.34Å; V90-G92 PolarHBondContact O-N 2.87Å; V90-L93 WeakPolarHBondContact O-CB 3.3Å; V90-L93 PolarHBondContact O-N 2.95Å; V90-L93 VanDerWaalsContact O-N 3.11Å; V90-M94 HydrophobicContact CG1-CE 4.06Å; V90-M94 HydrophobicContact CG1-CG 4.39Å; V90-M94 WeakPolarHBondContact O-CG 3.37Å; V90-M94 PolarHBondContact O-N 3.06Å
91D91.8Very high91.5Very high71 Ų7159 Ų5938%0.3830%0.298SS..Hα-helixtrans-58.6-46.3178.2-68-12000110.5K87 L93 M94 D95K87-D91 VanDerWaalsContact CE-OD2 3.29Å; K87-D91 WeakPolarHBondContact CE-OD2 3.44Å; K87-D91 VanDerWaalsContact CG-OD2 3.26Å; K87-D91 WeakPolarHBondContact CG-OD2 3.07Å; K87-D91 WeakPolarHBondContact O-CB 3.26Å; K87-D91 PolarHBondContact O-N 2.96Å; D91-L93 VanDerWaalsContact C-N 3.31Å; D91-L93 PolarHBondContact O-N 3.46Å; D91-M94 PolarHBondContact O-N 3.03Å; D91-M94 VanDerWaalsContact O-N 3.13Å; D91-D95 VanDerWaalsContact O-CG 3.29Å; D91-D95 PolarHBondContact O-N 3.3Å
92G91.4Very high91.6Very high12 Ų1255.9 Ų55.912%0.12429%0.289CS..Hα-helixtrans-60.1-36.6175.200000113.9Q48 S88 V90 L96Q48-G92 PolarHBondContact NE2-O 3.06Å; Q48-G92 PolarHBondContact OE1-O 3.23Å; S88-G92 PolarHBondContact O-N 3.49Å; S88-G92 VanDerWaalsContact O-N 3.15Å; V90-G92 VanDerWaalsContact C-N 3.34Å; V90-G92 PolarHBondContact O-N 2.87Å; G92-L96 WeakPolarHBondContact O-CB 3.09Å; G92-L96 PolarHBondContact O-N 3.12Å
93L91.1Very high91.5Very high23 Ų2358.8 Ų58.812%0.1230%0.298CS..Hα-helixtrans-69.6-39174.3-73.8168.2000112.4H51 F78 E89 V90 D91 L96 A97H51-L93 HydrophobicContact CB-CD2 4.14Å; F78-L93 HydrophobicContact CD2-CB 4.42Å; F78-L93 HydrophobicContact CD2-CD1 4.03Å; F78-L93 HydrophobicContact CE2-CB 4.25Å; F78-L93 HydrophobicContact CE2-CD1 3.75Å; E89-L93 HydrophobicContact CG-CD1 4.47Å; E89-L93 WeakPolarHBondContact O-CG 3.4Å; E89-L93 PolarHBondContact O-N 3.2Å; V90-L93 WeakPolarHBondContact O-CB 3.3Å; V90-L93 PolarHBondContact O-N 2.95Å; V90-L93 VanDerWaalsContact O-N 3.11Å; D91-L93 VanDerWaalsContact C-N 3.31Å; D91-L93 PolarHBondContact O-N 3.46Å; L93-L96 PolarHBondContact O-N 2.76Å; L93-A97 PolarHBondContact O-N 2.97Å
94M94.6Very high91.1Very high8 Ų855.3 Ų55.34%0.03928%0.282CS..Hα-helixtrans-66.6-41175.8-62.9-58.3149.600111.1F78 F83 V90 D91 L96 A97 R98 L127 P128 L131F78-M94 HydrophobicContact CD1-CE 4.21Å; F78-M94 HydrophobicContact CD2-CE 4.25Å; F78-M94 HydrophobicContact CE1-CE 3.68Å; F78-M94 HydrophobicContact CE2-CE 3.72Å; F78-M94 HydrophobicContact CG-CE 4.48Å; F78-M94 HydrophobicContact CZ-CE 3.4Å; F78-M94 VanDerWaalsContact CZ-CE 3.4Å; F83-M94 HydrophobicContact CE1-CE 3.92Å; F83-M94 HydrophobicContact CZ-CE 4.39Å; V90-M94 HydrophobicContact CG1-CE 4.06Å; V90-M94 HydrophobicContact CG1-CG 4.39Å; V90-M94 WeakPolarHBondContact O-CG 3.37Å; V90-M94 PolarHBondContact O-N 3.06Å; D91-M94 PolarHBondContact O-N 3.03Å; D91-M94 VanDerWaalsContact O-N 3.13Å; M94-L96 VanDerWaalsContact C-N 3.34Å; M94-A97 WeakPolarHBondContact O-CB 3.34Å; M94-A97 PolarHBondContact O-N 3.39Å; M94-R98 WeakPolarHBondContact O-CG 3.34Å; M94-R98 PolarHBondContact O-N 2.66Å; M94-L127 HydrophobicContact CE-CD2 4.03Å; M94-L127 HydrophobicContact SD-CD2 3.94Å; M94-P128 HydrophobicContact CG-CG 4.46Å; M94-L131 HydrophobicContact SD-CD2 3.72Å
95D93.4Very high90.6Very high85 Ų8550.3 Ų50.346%0.45526%0.262SS..Hα-helixtrans-65.8-38.2175.9-68.2-18.9000112D91 R98 Q99D91-D95 VanDerWaalsContact O-CG 3.29Å; D91-D95 PolarHBondContact O-N 3.3Å; D95-R98 PolarHBondContact O-N 2.92Å; D95-R98 IonicContact OD1-CZ 3.8Å; D95-R98 IonicContact OD1-NH1 3.11Å; D95-R98 PolarHBondContact OD1-NH1 3.39Å; D95-Q99 WeakPolarHBondContact O-CB 3.49Å; D95-Q99 PolarHBondContact O-N 2.94Å
96L91.3Very high90.4Very high19 Ų1954.4 Ų54.410%0.09928%0.284CS..Hα-helixtrans-60.6-47.2170.8-173.665.1000110.5H51 G92 L93 M94 R98 Q99 K100H51-L96 HydrophobicContact CB-CD2 3.94Å; G92-L96 WeakPolarHBondContact O-CB 3.09Å; G92-L96 PolarHBondContact O-N 3.12Å; L93-L96 PolarHBondContact O-N 2.76Å; M94-L96 VanDerWaalsContact C-N 3.34Å; L96-R98 PolarHBondContact O-N 3.11Å; L96-Q99 PolarHBondContact O-N 2.94Å; L96-K100 HydrophobicContact CD1-CG 4.49Å; L96-K100 VanDerWaalsContact O-CG 3.3Å; L96-K100 WeakPolarHBondContact O-CG 3.43Å; L96-K100 PolarHBondContact O-N 3.41Å
97A91.6Very high90Very high27 Ų2752.2 Ų52.222%0.22327%0.267CS..Hα-helixtrans-59.2-48178.500000111.6L93 M94 Q99 K100 F101 L131L93-A97 PolarHBondContact O-N 2.97Å; M94-A97 WeakPolarHBondContact O-CB 3.34Å; M94-A97 PolarHBondContact O-N 3.39Å; A97-Q99 PolarHBondContact O-N 3.15Å; A97-K100 PolarHBondContact O-N 3.39Å; A97-F101 HydrophobicContact CB-CD2 4.46Å; A97-F101 VanDerWaalsContact O-CD2 3.22Å; A97-F101 WeakPolarHBondContact O-CD2 3.12Å; A97-F101 PolarHBondContact O-N 2.84Å; A97-L131 HydrophobicContact CB-CD1 3.98Å; A97-L131 HydrophobicContact CB-CD2 3.98Å
98R93.1Very high89.3Confident53 Ų5348.9 Ų48.920%0.225%0.254CS..Hα-helixtrans-52.4-54.9173.7-72171.6179108.76.7111M94 D95 L96 K100 F101 S102 D130 L131 L134M94-R98 WeakPolarHBondContact O-CG 3.34Å; M94-R98 PolarHBondContact O-N 2.66Å; D95-R98 PolarHBondContact O-N 2.92Å; D95-R98 IonicContact OD1-CZ 3.8Å; D95-R98 IonicContact OD1-NH1 3.11Å; D95-R98 PolarHBondContact OD1-NH1 3.39Å; L96-R98 PolarHBondContact O-N 3.11Å; R98-K100 VanDerWaalsContact C-N 3.27Å; R98-K100 PolarHBondContact O-N 3.34Å; R98-F101 PolarHBondContact O-N 2.84Å; R98-S102 WeakPolarHBondContact O-CB 3.32Å; R98-S102 PolarHBondContact O-N 3.29Å; R98-S102 PolarHBondContact O-OG 3.48Å; R98-D130 IonicContact CZ-OD2 2.61Å; R98-D130 VanDerWaalsContact CZ-OD2 3.28Å; R98-D130 IonicContact NE-OD2 3.29Å; R98-D130 PolarHBondContact NE-OD2 3.13Å; R98-D130 IonicContact NH2-OD1 2.74Å; R98-D130 PolarHBondContact NH2-OD1 3.44Å; R98-D130 IonicContact NH2-OD2 2.81Å; R98-D130 PolarHBondContact NH2-OD2 3.35Å; R98-L131 HydrophobicContact CG-CD1 4.14Å; R98-L134 HydrophobicContact CB-CD1 4.32Å; R98-L134 HydrophobicContact CG-CD1 4.27Å
99Q92.7Very high88.8Confident115 Ų11551.9 Ų51.954%0.53726%0.257SS..Hα-helixtrans-56-42.4-179.3-170.3-164.841.900111.9D95 L96 A97 R103D95-Q99 WeakPolarHBondContact O-CB 3.49Å; D95-Q99 PolarHBondContact O-N 2.94Å; L96-Q99 PolarHBondContact O-N 2.94Å; A97-Q99 PolarHBondContact O-N 3.15Å; Q99-R103 VanDerWaalsContact O-CB 3.29Å; Q99-R103 WeakPolarHBondContact O-CB 3.29Å; Q99-R103 PolarHBondContact O-N 2.93Å; Q99-R103 VanDerWaalsContact O-N 3.13Å
100K90.3Very high88.5Confident11 Ų1155.5 Ų55.55%0.04827%0.272CS..Hα-helixtrans-72.5-42-179.2-61.1-44.9179.2-177.40112.4W3 F55 L96 A97 R98 R103 L104W3-K100 HydrophobicContact CZ2-CB 4.07Å; W3-K100 PolarHBondContact NE1-O 2.66Å; F55-K100 HydrophobicContact CD1-CD 3.69Å; F55-K100 HydrophobicContact CD1-CG 4.17Å; F55-K100 HydrophobicContact CD2-CB 4.45Å; F55-K100 HydrophobicContact CD2-CD 4.21Å; F55-K100 HydrophobicContact CD2-CG 3.74Å; F55-K100 HydrophobicContact CE1-CD 3.52Å; F55-K100 HydrophobicContact CE1-CG 4.04Å; F55-K100 HydrophobicContact CE2-CB 3.87Å; F55-K100 HydrophobicContact CE2-CD 4.05Å; F55-K100 HydrophobicContact CE2-CG 3.59Å; F55-K100 HydrophobicContact CG-CD 4.03Å; F55-K100 HydrophobicContact CG-CG 4.02Å; F55-K100 HydrophobicContact CZ-CB 4Å; F55-K100 HydrophobicContact CZ-CD 3.71Å; F55-K100 HydrophobicContact CZ-CG 3.74Å; L96-K100 HydrophobicContact CD1-CG 4.49Å; L96-K100 VanDerWaalsContact O-CG 3.3Å; L96-K100 WeakPolarHBondContact O-CG 3.43Å; L96-K100 PolarHBondContact O-N 3.41Å; A97-K100 PolarHBondContact O-N 3.39Å; R98-K100 VanDerWaalsContact C-N 3.27Å; R98-K100 PolarHBondContact O-N 3.34Å; K100-R103 PolarHBondContact O-N 2.95Å; K100-L104 PolarHBondContact O-N 3.46Å
101F88.6Confident87.6Confident22 Ų2255.1 Ų55.110%0.09627%0.269CS..Hα-helixtrans-70.1-38.5178.1-77.1-67.1000112.4W3 A97 R98 R103 L104 M105 V120 L131 L134 I135 A138W3-F101 HydrophobicContact CH2-CE1 4.24Å; W3-F101 HydrophobicContact CH2-CZ 4.41Å; W3-F101 HydrophobicContact CZ2-CD1 4.33Å; W3-F101 HydrophobicContact CZ2-CE1 4.17Å; W3-F101 HydrophobicContact CZ2-CZ 4.49Å; A97-F101 HydrophobicContact CB-CD2 4.46Å; A97-F101 VanDerWaalsContact O-CD2 3.22Å; A97-F101 WeakPolarHBondContact O-CD2 3.12Å; A97-F101 PolarHBondContact O-N 2.84Å; R98-F101 PolarHBondContact O-N 2.84Å; F101-R103 VanDerWaalsContact C-N 3.34Å; F101-R103 PolarHBondContact O-N 2.95Å; F101-L104 HydrophobicContact CD1-CD2 4.15Å; F101-L104 VanDerWaalsContact O-CB 3.28Å; F101-L104 WeakPolarHBondContact O-CB 3.44Å; F101-L104 PolarHBondContact O-N 3.26Å; F101-M105 PolarHBondContact O-N 3.35Å; F101-V120 HydrophobicContact CE1-CG2 3.85Å; F101-V120 HydrophobicContact CZ-CG2 3.67Å; F101-L131 HydrophobicContact CD2-CD1 4.03Å; F101-L134 HydrophobicContact CB-CB 4.19Å; F101-I135 HydrophobicContact CD1-CG1 4.38Å; F101-I135 HydrophobicContact CD2-CG1 3.83Å; F101-I135 HydrophobicContact CE1-CG1 4.19Å; F101-I135 HydrophobicContact CE2-CD1 4.08Å; F101-I135 HydrophobicContact CE2-CG1 3.62Å; F101-I135 HydrophobicContact CG-CG1 4.23Å; F101-I135 HydrophobicContact CZ-CD1 4.48Å; F101-I135 HydrophobicContact CZ-CG1 3.82Å; F101-A138 HydrophobicContact CD1-CB 3.96Å; F101-A138 HydrophobicContact CE1-CB 4.47Å
102S89.1Confident86.7Confident46 Ų4657.9 Ų57.932%0.32228%0.28SS..Hα-helixtrans-60.6-45.3172.6-58.40000111.3R98 L104 M105 E106R98-S102 WeakPolarHBondContact O-CB 3.32Å; R98-S102 PolarHBondContact O-N 3.29Å; R98-S102 PolarHBondContact O-OG 3.48Å; S102-L104 VanDerWaalsContact C-N 3.28Å; S102-L104 PolarHBondContact O-N 3.04Å; S102-M105 WeakPolarHBondContact O-CB 3.4Å; S102-M105 PolarHBondContact O-N 3.22Å; S102-M105 VanDerWaalsContact O-N 3.09Å; S102-E106 PolarHBondContact O-N 2.75Å
103R87.5Confident86.1Confident90 Ų9064.7 Ų64.734%0.3431%0.306SS..Hα-helixtrans-64.1-32.5176.7-172.6176.1-176128.97.5113.3M1 Q99 K100 F101 M105 E106 E107M1-R103 WeakPolarHBondContact O-CD 3.42Å; M1-R103 PolarHBondContact O-NE 3.26Å; Q99-R103 VanDerWaalsContact O-CB 3.29Å; Q99-R103 WeakPolarHBondContact O-CB 3.29Å; Q99-R103 PolarHBondContact O-N 2.93Å; Q99-R103 VanDerWaalsContact O-N 3.13Å; K100-R103 PolarHBondContact O-N 2.95Å; F101-R103 VanDerWaalsContact C-N 3.34Å; F101-R103 PolarHBondContact O-N 2.95Å; R103-M105 PolarHBondContact O-N 3.01Å; R103-E106 WeakPolarHBondContact O-CB 3.48Å; R103-E106 PolarHBondContact O-N 2.79Å; R103-E107 IonicContact CZ-OE1 2.8Å; R103-E107 IonicContact NE-OE1 3.71Å; R103-E107 PolarHBondContact NE-OE1 3.22Å; R103-E107 IonicContact NH2-OE1 3.65Å; R103-E107 WeakPolarHBondContact O-CG 3.36Å; R103-E107 PolarHBondContact O-N 3.21Å
104L83.8Confident85.3Confident1 Ų166.7 Ų66.71%0.00532%0.315CS..Hα-helixtrans-59.7-37.8174.8-17473.2000111.1W3 K100 F101 S102 E106 E107 Q108 L111 I118 A138W3-L104 HydrophobicContact CB-CD1 3.84Å; W3-L104 HydrophobicContact CD2-CD1 3.77Å; W3-L104 HydrophobicContact CE3-CD1 4.46Å; W3-L104 HydrophobicContact CG-CD1 3.45Å; W3-L104 VanDerWaalsContact CG-CD1 3.45Å; K100-L104 PolarHBondContact O-N 3.46Å; F101-L104 HydrophobicContact CD1-CD2 4.15Å; F101-L104 VanDerWaalsContact O-CB 3.28Å; F101-L104 WeakPolarHBondContact O-CB 3.44Å; F101-L104 PolarHBondContact O-N 3.26Å; S102-L104 VanDerWaalsContact C-N 3.28Å; S102-L104 PolarHBondContact O-N 3.04Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-E107 CarbonylContact O-C 3.48Å; L104-E107 PolarHBondContact O-N 2.85Å; L104-E107 VanDerWaalsContact O-N 3.13Å; L104-Q108 PolarHBondContact O-N 2.92Å; L104-L111 HydrophobicContact CD1-CD1 3.5Å; L104-L111 VanDerWaalsContact CD1-CD1 3.5Å; L104-L111 HydrophobicContact CD1-CD2 3.74Å; L104-L111 HydrophobicContact CD1-CG 4.17Å; L104-L111 HydrophobicContact CG-CD1 3.73Å; L104-I118 HydrophobicContact CD1-CD1 3.36Å; L104-I118 HydrophobicContact CD2-CD1 3.46Å; L104-I118 VanDerWaalsContact CD2-CD1 3.46Å; L104-I118 HydrophobicContact CG-CD1 4Å; L104-A138 HydrophobicContact CD2-CB 3.6Å
105M82Confident84.3Confident50 Ų5068 Ų6825%0.24633%0.33CS..Hα-helixtrans-68.9-31.9177.1-61.6-61.9-74.700112.5F101 S102 R103 E107 Q108 Q137 A138F101-M105 PolarHBondContact O-N 3.35Å; S102-M105 WeakPolarHBondContact O-CB 3.4Å; S102-M105 PolarHBondContact O-N 3.22Å; S102-M105 VanDerWaalsContact O-N 3.09Å; R103-M105 PolarHBondContact O-N 3.01Å; M105-E107 PolarHBondContact O-N 2.87Å; M105-Q108 VanDerWaalsContact O-CG 3.27Å; M105-Q108 WeakPolarHBondContact O-CG 3.18Å; M105-Q137 HydrophobicContact CE-CB 3.84Å; M105-Q137 HydrophobicContact SD-CB 4.31Å; M105-A138 HydrophobicContact SD-CB 4.38Å
106E86.8Confident83.5Confident155 Ų15566.1 Ų66.172%0.72432%0.322SS*.Hα-helixtrans-69.6-22171.7-61168.1-177.800112.4S102 R103 L104S102-E106 PolarHBondContact O-N 2.75Å; R103-E106 WeakPolarHBondContact O-CB 3.48Å; R103-E106 PolarHBondContact O-N 2.79Å; L104-E106 VanDerWaalsContact C-N 3.34Å
107E85.5Confident83.1Confident21 Ų2167.1 Ų67.110%0.09833%0.33CS..THydrogen-bonded Turntrans-104.420-174.1-66.4174.7178.400113S2 W3 R103 L104 M105 E109 K110 L111S2-E107 WeakPolarHBondContact CA-OE1 3.4Å; S2-E107 VanDerWaalsContact CA-OE2 3.25Å; S2-E107 WeakPolarHBondContact CA-OE2 3.41Å; S2-E107 VanDerWaalsContact CB-CD 3.49Å; S2-E107 WeakPolarHBondContact CB-OE1 3.5Å; S2-E107 WeakPolarHBondContact CB-OE2 3.33Å; S2-E107 PolarHBondContact OG-OE1 3.02Å; S2-E107 PolarHBondContact OG-OE2 3.49Å; W3-E107 PolarHBondContact N-OE2 3.48Å; W3-E107 VanDerWaalsContact N-OE2 3.16Å; R103-E107 IonicContact CZ-OE1 2.8Å; R103-E107 IonicContact NE-OE1 3.71Å; R103-E107 PolarHBondContact NE-OE1 3.22Å; R103-E107 IonicContact NH2-OE1 3.65Å; R103-E107 WeakPolarHBondContact O-CG 3.36Å; R103-E107 PolarHBondContact O-N 3.21Å; L104-E107 CarbonylContact O-C 3.48Å; L104-E107 PolarHBondContact O-N 2.85Å; L104-E107 VanDerWaalsContact O-N 3.13Å; M105-E107 PolarHBondContact O-N 2.87Å; E107-E109 VanDerWaalsContact C-N 3.32Å; E107-E109 PolarHBondContact O-N 3.19Å; E107-K110 WeakPolarHBondContact O-CB 3.32Å; E107-K110 PolarHBondContact O-N 3.12Å; E107-L111 PolarHBondContact O-N 2.68Å; E107-L111 VanDerWaalsContact O-N 3.16Å
108Q77.4Confident82.7Confident88 Ų8866.7 Ų66.741%0.41132%0.324SS..Hα-helixtrans-53.6-41.9-177.6-81.4177.55.800114.1L104 M105 K110 L111 Q112L104-Q108 PolarHBondContact O-N 2.92Å; M105-Q108 VanDerWaalsContact O-CG 3.27Å; M105-Q108 WeakPolarHBondContact O-CG 3.18Å; Q108-K110 VanDerWaalsContact C-N 3.28Å; Q108-K110 PolarHBondContact O-N 3Å; Q108-L111 WeakPolarHBondContact O-CB 3.32Å; Q108-L111 PolarHBondContact O-N 2.86Å; Q108-Q112 WeakPolarHBondContact O-CB 3.49Å; Q108-Q112 PolarHBondContact O-N 3.1Å
109E81.9Confident82.3Confident165 Ų16567.4 Ų67.477%0.77133%0.326SS*.Hα-helixtrans-60.4-38.1178.1-65.3-177.2173.400112.1E107 K113E107-E109 VanDerWaalsContact C-N 3.32Å; E107-E109 PolarHBondContact O-N 3.19Å; E109-K113 VanDerWaalsContact O-CB 3.28Å; E109-K113 WeakPolarHBondContact O-CB 3.47Å; E109-K113 PolarHBondContact O-N 3.31Å
110K81.3Confident82Confident89 Ų8963.9 Ų63.939%0.38731%0.312SS..Hα-helixtrans-69.7-39.7177.2-68-175.8179.3-179.90111.5I4 E107 Q108 K113 H114I4-K110 HydrophobicContact CD1-CB 3.95Å; I4-K110 WeakPolarHBondContact CD1-O 3.34Å; E107-K110 WeakPolarHBondContact O-CB 3.32Å; E107-K110 PolarHBondContact O-N 3.12Å; Q108-K110 VanDerWaalsContact C-N 3.28Å; Q108-K110 PolarHBondContact O-N 3Å; K110-K113 PolarHBondContact O-N 3.4Å; K110-H114 PolarHBondContact O-N 2.55Å; K110-H114 VanDerWaalsContact O-N 3.14Å; K110-H114 PolarHBondContact O-ND1 3.22Å
111L74Confident81.9Confident6 Ų666.6 Ų66.63%0.03133%0.327CS..Hα-helixtrans-62.7-45.1176.3-63.7166.6000110.7I4 L104 E107 Q108 H114 G115 V116 I118 T142I4-L111 HydrophobicContact CD1-CD2 3.76Å; I4-L111 HydrophobicContact CD1-CG 4.28Å; I4-L111 HydrophobicContact CG1-CD2 4.27Å; L104-L111 HydrophobicContact CD1-CD1 3.5Å; L104-L111 VanDerWaalsContact CD1-CD1 3.5Å; L104-L111 HydrophobicContact CD1-CD2 3.74Å; L104-L111 HydrophobicContact CD1-CG 4.17Å; L104-L111 HydrophobicContact CG-CD1 3.73Å; E107-L111 PolarHBondContact O-N 2.68Å; E107-L111 VanDerWaalsContact O-N 3.16Å; Q108-L111 WeakPolarHBondContact O-CB 3.32Å; Q108-L111 PolarHBondContact O-N 2.86Å; L111-H114 CarbonylContact O-C 3.55Å; L111-H114 PolarHBondContact O-N 2.81Å; L111-G115 PolarHBondContact O-N 2.91Å; L111-V116 HydrophobicContact CD2-CB 3.9Å; L111-V116 HydrophobicContact CD2-CG1 3.97Å; L111-V116 PolarHBondContact O-N 3.24Å; L111-I118 HydrophobicContact CD2-CD1 4.21Å; L111-T142 HydrophobicContact CD1-CG2 4.08Å
112Q74.4Confident81.8Confident130 Ų13066.9 Ų66.961%0.60734%0.336SS*.Hα-helixtrans-63.8-46.7176.9176.3169.626.400111.8Q108 H114 G115 Y145Q108-Q112 WeakPolarHBondContact O-CB 3.49Å; Q108-Q112 PolarHBondContact O-N 3.1Å; Q112-H114 PolarHBondContact O-N 2.98Å; Q112-G115 PolarHBondContact O-N 3.08Å; Q112-G115 VanDerWaalsContact O-N 3.17Å; Q112-Y145 WeakPolarHBondContact CG-OH 3.34Å
113K78.6Confident81.7Confident154 Ų15467.7 Ų67.767%0.6734%0.337SS*.Hα-helixtrans-56-37177.8-179.9-174.7172-163.60112.4E6 E109 K110E6-K113 IonicContact OE1-NZ 3.77Å; E6-K113 PolarHBondContact OE1-NZ 2.82Å; E109-K113 VanDerWaalsContact O-CB 3.28Å; E109-K113 WeakPolarHBondContact O-CB 3.47Å; E109-K113 PolarHBondContact O-N 3.31Å; K110-K113 PolarHBondContact O-N 3.4Å
114H73.7Confident81.8Confident66 Ų6664.9 Ų64.931%0.30633%0.328SS..Hα-helixtrans-99.10.2-177.8-64.488000113.8I4 E6 K110 L111 Q112 V116I4-H114 HydrophobicContact CD1-CB 4.37Å; E6-H114 IonicContact OE1-CE1 2.66Å; E6-H114 PolarHBondContact OE1-CE1 3.46Å; E6-H114 IonicContact OE1-NE2 3.03Å; K110-H114 PolarHBondContact O-N 2.55Å; K110-H114 VanDerWaalsContact O-N 3.14Å; K110-H114 PolarHBondContact O-ND1 3.22Å; L111-H114 CarbonylContact O-C 3.55Å; L111-H114 PolarHBondContact O-N 2.81Å; Q112-H114 PolarHBondContact O-N 2.98Å; H114-V116 VanDerWaalsContact C-N 3.31Å; H114-V116 HydrophobicContact CB-CG2 3.88Å; H114-V116 PolarHBondContact O-N 3.28Å
115G73.4Confident82.1Confident34 Ų3470.5 Ų70.535%0.35135%0.354SS..THydrogen-bonded Turntrans61.133.6-179.100000114.3L111 Q112 C117L111-G115 PolarHBondContact O-N 2.91Å; Q112-G115 PolarHBondContact O-N 3.08Å; Q112-G115 VanDerWaalsContact O-N 3.17Å; G115-C117 PolarHBondContact O-N 3.34Å
116V76.9Confident82.5Confident46 Ų4671.9 Ų71.928%0.27936%0.362SS..  trans-79.2120.7-174.8178.50000110.8I4 L111 H114 I118 T142I4-V116 HydrophobicContact CD1-CG2 4.03Å; I4-V116 HydrophobicContact CG1-CG2 4.47Å; L111-V116 HydrophobicContact CD2-CB 3.9Å; L111-V116 HydrophobicContact CD2-CG1 3.97Å; L111-V116 PolarHBondContact O-N 3.24Å; H114-V116 VanDerWaalsContact C-N 3.31Å; H114-V116 HydrophobicContact CB-CG2 3.88Å; H114-V116 PolarHBondContact O-N 3.28Å; V116-I118 HydrophobicContact CG1-CD1 4.48Å; V116-I118 HydrophobicContact CG1-CG1 4.13Å; V116-T142 WeakPolarHBondContact O-CB 3.44Å
117C81.9Confident82.8Confident40 Ų4065.9 Ų65.927%0.2734%0.335SS..  trans-95.9127.2170.7-1700000110.6G115 T142G115-C117 PolarHBondContact O-N 3.34Å; C117-T142 PolarHBondContact SG-O 3.31Å
118I82.8Confident83.2Confident19 Ų1967 Ų6710%0.09734%0.344CS..  trans-112130.4175.3-67.8170.9000109.6W3 L104 L111 V116 V120 T142W3-I118 HydrophobicContact CE3-CD1 4.12Å; W3-I118 HydrophobicContact CZ3-CD1 4.34Å; L104-I118 HydrophobicContact CD1-CD1 3.36Å; L104-I118 HydrophobicContact CD2-CD1 3.46Å; L104-I118 VanDerWaalsContact CD2-CD1 3.46Å; L104-I118 HydrophobicContact CG-CD1 4Å; L111-I118 HydrophobicContact CD2-CD1 4.21Å; V116-I118 HydrophobicContact CG1-CD1 4.48Å; V116-I118 HydrophobicContact CG1-CG1 4.13Å; I118-V120 HydrophobicContact CG2-CG2 4.44Å; I118-T142 PolarHBondContact N-OG1 2.93Å; I118-T142 PolarHBondContact O-OG1 3.47Å
119R85.8Confident83.8Confident68 Ų6867.8 Ų67.826%0.25735%0.35SS..  trans-125.9135.7173.5-61.8-175.4-71.3-113.21.7108.7E72 L121 N146 S163E72-R119 IonicContact OE1-CZ 3.03Å; E72-R119 IonicContact OE1-NH2 2.91Å; E72-R119 PolarHBondContact OE1-NH2 2.82Å; R119-L121 HydrophobicContact CB-CD2 4.07Å; R119-N146 PolarHBondContact NH1-ND2 3.23Å; R119-N146 VanDerWaalsContact NH1-ND2 3.14Å; R119-N146 PolarHBondContact NH1-OD1 3.3Å; R119-S163 PolarHBondContact NH2-OG 2.83Å
120V86.7Confident84.3Confident40 Ų4063.2 Ų63.224%0.24233%0.331CS..  trans-115122.9174.8-171.30000108F101 I118 L124 I135 V139F101-V120 HydrophobicContact CE1-CG2 3.85Å; F101-V120 HydrophobicContact CZ-CG2 3.67Å; I118-V120 HydrophobicContact CG2-CG2 4.44Å; V120-L124 HydrophobicContact CG1-CD2 3.94Å; V120-I135 HydrophobicContact CB-CG2 3.65Å; V120-I135 HydrophobicContact CG1-CD1 4.29Å; V120-I135 HydrophobicContact CG1-CG2 4.09Å; V120-I135 HydrophobicContact CG2-CG2 3.69Å; V120-V139 HydrophobicContact CG2-CG2 4.21Å
121L87.5Confident84.7Confident69 Ų6959.1 Ų59.136%0.36131%0.314SS..  trans-117.6132.3-168.7-48.1-177000110.1R119 Y159 T160R119-L121 HydrophobicContact CB-CD2 4.07Å; L121-Y159 WeakPolarHBondContact CD2-O 3.43Å; L121-T160 HydrophobicContact CD1-CG2 3.59Å
122G87.6Confident85.3Confident27 Ų2759.8 Ų59.828%0.27832%0.317SS..SBendtrans146.4-172.617600000113.1L124G122-L124 PolarHBondContact O-N 3.16Å
123D87.1Confident86Confident63 Ų6355.2 Ų55.234%0.33730%0.295SS..  trans-78.368.8177.1-70.49000110.3I80 H125 L126 Y159I80-D123 HydrophobicContact CD1-CB 4.26Å; D123-H125 PolarHBondContact O-N 3.21Å; D123-H125 VanDerWaalsContact O-N 3.07Å; D123-L126 HydrophobicContact CB-CD1 3.82Å; D123-L126 HydrophobicContact CB-CG 4.04Å; D123-L126 WeakPolarHBondContact O-CB 3.27Å; D123-L126 WeakPolarHBondContact O-CG 3.4Å; D123-L126 PolarHBondContact O-N 3.49Å; D123-Y159 PolarHBondContact OD1-OH 2.8Å
124L89Confident86.4Confident31 Ų3149.4 Ų49.416%0.16227%0.272CS..G310 helixtrans-60.1-24.1-170.6-58.6-175.5000113.5V120 G122 L126 L127 Q132 I135 W290V120-L124 HydrophobicContact CG1-CD2 3.94Å; G122-L124 PolarHBondContact O-N 3.16Å; L124-L126 PolarHBondContact O-N 3.41Å; L124-L126 VanDerWaalsContact O-N 3.1Å; L124-L127 HydrophobicContact CD2-CD1 3.91Å; L124-L127 WeakPolarHBondContact O-CB 3.49Å; L124-L127 PolarHBondContact O-N 2.93Å; L124-Q132 VanDerWaalsContact O-CG 3.25Å; L124-Q132 WeakPolarHBondContact O-CG 3.18Å; L124-Q132 PolarHBondContact O-NE2 3.07Å; L124-I135 HydrophobicContact CD1-CG2 4.16Å; L124-W290 HydrophobicContact CB-CH2 4.04Å; L124-W290 HydrophobicContact CD1-CZ3 4.42Å
125H89.8Confident87Confident120 Ų12046.6 Ų46.656%0.55626%0.258SS*.G310 helixtrans-61.5-16.7174.660.743.6000113.7D123 L127D123-H125 PolarHBondContact O-N 3.21Å; D123-H125 VanDerWaalsContact O-N 3.07Å; H125-L127 VanDerWaalsContact C-N 3.31Å
126L90.8Very high87.5Confident78 Ų7845.1 Ų45.141%0.40824%0.243SC..G310 helixtrans-79.5-14.3174.7-59.6179.5000112.7I80 F83 D123 L124I80-L126 HydrophobicContact CD1-CD1 4.11Å; I80-L126 HydrophobicContact CG1-CD1 4.13Å; I80-L126 HydrophobicContact CG2-CD1 4.27Å; F83-L126 HydrophobicContact CE2-CB 4Å; F83-L126 HydrophobicContact CE2-CD1 4.3Å; F83-L126 HydrophobicContact CZ-CB 4.09Å; D123-L126 HydrophobicContact CB-CD1 3.82Å; D123-L126 HydrophobicContact CB-CG 4.04Å; D123-L126 WeakPolarHBondContact O-CB 3.27Å; D123-L126 WeakPolarHBondContact O-CG 3.4Å; D123-L126 PolarHBondContact O-N 3.49Å; L124-L126 PolarHBondContact O-N 3.41Å; L124-L126 VanDerWaalsContact O-N 3.1Å
127L92.4Very high87.9Confident30 Ų3045.7 Ų45.716%0.15724%0.243CC..SBendtrans-81.2157.9179-61.7174.3000110.9F83 M94 L124 H125 L131 Q132 I135F83-L127 HydrophobicContact CZ-CD2 4.15Å; M94-L127 HydrophobicContact CE-CD2 4.03Å; M94-L127 HydrophobicContact SD-CD2 3.94Å; L124-L127 HydrophobicContact CD2-CD1 3.91Å; L124-L127 WeakPolarHBondContact O-CB 3.49Å; L124-L127 PolarHBondContact O-N 2.93Å; H125-L127 VanDerWaalsContact C-N 3.31Å; L127-L131 HydrophobicContact CB-CD2 4.5Å; L127-L131 HydrophobicContact CD1-CD2 4.41Å; L127-L131 HydrophobicContact CD2-CD2 4.37Å; L127-Q132 HydrophobicContact CB-CG 4.03Å; L127-Q132 PolarHBondContact O-NE2 2.9Å; L127-I135 HydrophobicContact CD1-CD1 3.68Å
128P93.1Very high87.9Confident44 Ų4443.8 Ų43.829%0.28623%0.23SC..  trans-53.8140.2169-26.937000112M94 D130 L131 Q132M94-P128 HydrophobicContact CG-CG 4.46Å; P128-D130 VanDerWaalsContact C-N 3.3Å; P128-D130 WeakPolarHBondContact CB-OD1 3.11Å; P128-D130 PolarHBondContact O-N 3.25Å; P128-L131 HydrophobicContact CB-CB 4.43Å; P128-L131 WeakPolarHBondContact O-CB 3.16Å; P128-L131 PolarHBondContact O-N 2.98Å; P128-Q132 PolarHBondContact O-N 3.46Å
129L90.9Very high87.9Confident104 Ų10444 Ų4455%0.54523%0.232SC..Hα-helixtrans-57.1-42.9-172.9-177.463.8000112.4L131 Q132 E133 L294L129-L131 VanDerWaalsContact C-N 3.27Å; L129-L131 PolarHBondContact O-N 3.46Å; L129-Q132 WeakPolarHBondContact O-CB 3.37Å; L129-Q132 PolarHBondContact O-N 2.97Å; L129-E133 WeakPolarHBondContact O-CG 3.24Å; L129-E133 PolarHBondContact O-N 3.19Å; L129-L294 HydrophobicContact CD1-CD2 4.09Å
130D91.6Very high87.6Confident70 Ų7044.1 Ų44.137%0.37424%0.235SC..Hα-helixtrans-59.8-37.2177.264-51.4000112.6R98 P128 L134R98-D130 IonicContact CZ-OD2 2.61Å; R98-D130 VanDerWaalsContact CZ-OD2 3.28Å; R98-D130 IonicContact NE-OD2 3.29Å; R98-D130 PolarHBondContact NE-OD2 3.13Å; R98-D130 IonicContact NH2-OD1 2.74Å; R98-D130 PolarHBondContact NH2-OD1 3.44Å; R98-D130 IonicContact NH2-OD2 2.81Å; R98-D130 PolarHBondContact NH2-OD2 3.35Å; P128-D130 VanDerWaalsContact C-N 3.3Å; P128-D130 WeakPolarHBondContact CB-OD1 3.11Å; P128-D130 PolarHBondContact O-N 3.25Å; D130-L134 WeakPolarHBondContact O-CG 3.41Å; D130-L134 PolarHBondContact O-N 3.24Å
131L89.9Confident87.4Confident2 Ų244.3 Ų44.31%0.0124%0.242CC..Hα-helixtrans-73.1-34.9174.8-177.758.7000111.9M94 A97 R98 F101 L127 P128 L129 E133 L134 I135M94-L131 HydrophobicContact SD-CD2 3.72Å; A97-L131 HydrophobicContact CB-CD1 3.98Å; A97-L131 HydrophobicContact CB-CD2 3.98Å; R98-L131 HydrophobicContact CG-CD1 4.14Å; F101-L131 HydrophobicContact CD2-CD1 4.03Å; L127-L131 HydrophobicContact CB-CD2 4.5Å; L127-L131 HydrophobicContact CD1-CD2 4.41Å; L127-L131 HydrophobicContact CD2-CD2 4.37Å; P128-L131 HydrophobicContact CB-CB 4.43Å; P128-L131 WeakPolarHBondContact O-CB 3.16Å; P128-L131 PolarHBondContact O-N 2.98Å; L129-L131 VanDerWaalsContact C-N 3.27Å; L129-L131 PolarHBondContact O-N 3.46Å; L131-E133 VanDerWaalsContact C-N 3.33Å; L131-L134 PolarHBondContact O-N 3.02Å; L131-I135 HydrophobicContact CD1-CD1 4.19Å; L131-I135 HydrophobicContact CD1-CG1 4.33Å; L131-I135 HydrophobicContact CG-CD1 3.93Å; L131-I135 WeakPolarHBondContact O-CB 3.41Å; L131-I135 WeakPolarHBondContact O-CD1 3.38Å; L131-I135 VanDerWaalsContact O-CG1 3.27Å; L131-I135 WeakPolarHBondContact O-CG1 3.2Å; L131-I135 PolarHBondContact O-N 2.9Å
132Q88.2Confident86.9Confident21 Ų2141.2 Ų41.210%0.09823%0.225CC..Hα-helixtrans-60.6-43.5173.7-64.3-179.351.500111.2L124 L127 P128 L129 I135 A136 L294L124-Q132 VanDerWaalsContact O-CG 3.25Å; L124-Q132 WeakPolarHBondContact O-CG 3.18Å; L124-Q132 PolarHBondContact O-NE2 3.07Å; L127-Q132 HydrophobicContact CB-CG 4.03Å; L127-Q132 PolarHBondContact O-NE2 2.9Å; P128-Q132 PolarHBondContact O-N 3.46Å; L129-Q132 WeakPolarHBondContact O-CB 3.37Å; L129-Q132 PolarHBondContact O-N 2.97Å; Q132-I135 PolarHBondContact O-N 2.87Å; Q132-A136 WeakPolarHBondContact O-CB 3.22Å; Q132-A136 PolarHBondContact O-N 3Å; Q132-L294 HydrophobicContact CB-CD1 4.28Å
133E88.2Confident86.1Confident33 Ų3344.6 Ų44.615%0.15423%0.232CC..Hα-helixtrans-62.9-47.5177.3-66.5179.4-166.600111.8L129 L131 I135 A136 Q137 S298L129-E133 WeakPolarHBondContact O-CG 3.24Å; L129-E133 PolarHBondContact O-N 3.19Å; L131-E133 VanDerWaalsContact C-N 3.33Å; E133-I135 VanDerWaalsContact C-N 3.32Å; E133-I135 PolarHBondContact O-N 3.04Å; E133-A136 PolarHBondContact O-N 3.02Å; E133-A136 VanDerWaalsContact O-N 3.15Å; E133-Q137 WeakPolarHBondContact O-CG 3.08Å; E133-Q137 PolarHBondContact O-N 3.3Å; E133-S298 WeakPolarHBondContact OE2-CB 3.25Å; E133-S298 PolarHBondContact OE2-OG 3Å
134L87.6Confident85Confident33 Ų3347.8 Ų47.817%0.17325%0.249CC..Hα-helixtrans-58.4-43.2176.1-74.9172.6000112.3R98 F101 D130 L131 A138R98-L134 HydrophobicContact CB-CD1 4.32Å; R98-L134 HydrophobicContact CG-CD1 4.27Å; F101-L134 HydrophobicContact CB-CB 4.19Å; D130-L134 WeakPolarHBondContact O-CG 3.41Å; D130-L134 PolarHBondContact O-N 3.24Å; L131-L134 PolarHBondContact O-N 3.02Å; L134-A138 WeakPolarHBondContact O-CB 3.29Å; L134-A138 PolarHBondContact O-N 3.46Å; L134-A138 VanDerWaalsContact O-N 3.1Å
135I86Confident83.4Confident6 Ų650.7 Ų50.73%0.03126%0.259CS..Hα-helixtrans-63.5-44.8175.9-73.3165.9000110.6F101 V120 L124 L127 L131 Q132 E133 Q137 A138 V139F101-I135 HydrophobicContact CD1-CG1 4.38Å; F101-I135 HydrophobicContact CD2-CG1 3.83Å; F101-I135 HydrophobicContact CE1-CG1 4.19Å; F101-I135 HydrophobicContact CE2-CD1 4.08Å; F101-I135 HydrophobicContact CE2-CG1 3.62Å; F101-I135 HydrophobicContact CG-CG1 4.23Å; F101-I135 HydrophobicContact CZ-CD1 4.48Å; F101-I135 HydrophobicContact CZ-CG1 3.82Å; V120-I135 HydrophobicContact CB-CG2 3.65Å; V120-I135 HydrophobicContact CG1-CD1 4.29Å; V120-I135 HydrophobicContact CG1-CG2 4.09Å; V120-I135 HydrophobicContact CG2-CG2 3.69Å; L124-I135 HydrophobicContact CD1-CG2 4.16Å; L127-I135 HydrophobicContact CD1-CD1 3.68Å; L131-I135 HydrophobicContact CD1-CD1 4.19Å; L131-I135 HydrophobicContact CD1-CG1 4.33Å; L131-I135 HydrophobicContact CG-CD1 3.93Å; L131-I135 WeakPolarHBondContact O-CB 3.41Å; L131-I135 WeakPolarHBondContact O-CD1 3.38Å; L131-I135 VanDerWaalsContact O-CG1 3.27Å; L131-I135 WeakPolarHBondContact O-CG1 3.2Å; L131-I135 PolarHBondContact O-N 2.9Å; Q132-I135 PolarHBondContact O-N 2.87Å; E133-I135 VanDerWaalsContact C-N 3.32Å; E133-I135 PolarHBondContact O-N 3.04Å; I135-Q137 PolarHBondContact O-N 3.1Å; I135-A138 PolarHBondContact O-N 3.45Å; I135-V139 HydrophobicContact CG2-CG2 4.32Å; I135-V139 WeakPolarHBondContact O-CG2 3.36Å; I135-V139 PolarHBondContact O-N 3.33Å
136A84.4Confident81.4Confident3 Ų347.5 Ų47.53%0.02525%0.246CC..Hα-helixtrans-60.8-46.1-179.100000111.5Q132 E133 A138 V139 Q140 L291 L294Q132-A136 WeakPolarHBondContact O-CB 3.22Å; Q132-A136 PolarHBondContact O-N 3Å; E133-A136 PolarHBondContact O-N 3.02Å; E133-A136 VanDerWaalsContact O-N 3.15Å; A136-A138 PolarHBondContact O-N 3.06Å; A136-V139 PolarHBondContact O-N 3.17Å; A136-Q140 VanDerWaalsContact O-CB 3.3Å; A136-Q140 WeakPolarHBondContact O-CB 3.47Å; A136-Q140 PolarHBondContact O-N 3.36Å; A136-L291 HydrophobicContact CB-CD1 3.78Å; A136-L294 HydrophobicContact CB-CB 3.99Å
137Q84.3Confident78.6Confident58 Ų5851 Ų5127%0.27127%0.265SS..Hα-helixtrans-59.8-45.6176-68.8173.1600111.9M105 E133 I135 Q140 A141M105-Q137 HydrophobicContact CE-CB 3.84Å; M105-Q137 HydrophobicContact SD-CB 4.31Å; E133-Q137 WeakPolarHBondContact O-CG 3.08Å; E133-Q137 PolarHBondContact O-N 3.3Å; I135-Q137 PolarHBondContact O-N 3.1Å; Q137-Q140 PolarHBondContact O-N 3.13Å; Q137-A141 WeakPolarHBondContact O-CB 3.27Å; Q137-A141 PolarHBondContact O-N 3.4Å
138A83.1Confident75.6Confident1 Ų155.8 Ų55.81%0.00829%0.291CS..Hα-helixtrans-61.6-45.6177.900000113.4F101 L104 M105 L134 I135 A136 Q140 T142F101-A138 HydrophobicContact CD1-CB 3.96Å; F101-A138 HydrophobicContact CE1-CB 4.47Å; L104-A138 HydrophobicContact CD2-CB 3.6Å; M105-A138 HydrophobicContact SD-CB 4.38Å; L134-A138 WeakPolarHBondContact O-CB 3.29Å; L134-A138 PolarHBondContact O-N 3.46Å; L134-A138 VanDerWaalsContact O-N 3.1Å; I135-A138 PolarHBondContact O-N 3.45Å; A136-A138 PolarHBondContact O-N 3.06Å; A138-Q140 VanDerWaalsContact C-N 3.35Å; A138-T142 PolarHBondContact O-N 3.17Å; A138-T142 PolarHBondContact O-OG1 3.28Å
139V81.7Confident72.7Confident22 Ų2261.8 Ų61.813%0.13332%0.319CS..Hα-helixtrans-65.2-41.4177172.80000110.3V120 I135 A136 T142 K143 L291V120-V139 HydrophobicContact CG2-CG2 4.21Å; I135-V139 HydrophobicContact CG2-CG2 4.32Å; I135-V139 WeakPolarHBondContact O-CG2 3.36Å; I135-V139 PolarHBondContact O-N 3.33Å; A136-V139 PolarHBondContact O-N 3.17Å; V139-T142 PolarHBondContact O-N 3.29Å; V139-K143 WeakPolarHBondContact O-CB 3.45Å; V139-K143 PolarHBondContact O-N 3.01Å; V139-K143 VanDerWaalsContact O-N 3.14Å; V139-L291 HydrophobicContact CB-CD1 4.37Å; V139-L291 HydrophobicContact CG1-CD1 4.37Å; V139-L291 HydrophobicContact CG1-CD2 4.06Å
140Q80.5Confident69.8Low71 Ų7160.5 Ų60.533%0.33232%0.318SS..Hα-helixtrans-66.6-39179.8-170.21669.200112.6A136 Q137 A138 T142 K143A136-Q140 VanDerWaalsContact O-CB 3.3Å; A136-Q140 WeakPolarHBondContact O-CB 3.47Å; A136-Q140 PolarHBondContact O-N 3.36Å; Q137-Q140 PolarHBondContact O-N 3.13Å; A138-Q140 VanDerWaalsContact C-N 3.35Å; Q140-T142 VanDerWaalsContact C-N 3.26Å; Q140-T142 PolarHBondContact O-N 3.27Å; Q140-K143 HydrophobicContact CG-CD 4.42Å; Q140-K143 WeakPolarHBondContact O-CG 3.44Å
141A81.6Confident67.5Low45 Ų4564.6 Ų64.637%0.37234%0.335SS..Hα-helixtrans-64.6-28.5177.800000113Q137Q137-A141 WeakPolarHBondContact O-CB 3.27Å; Q137-A141 PolarHBondContact O-N 3.4Å
142T76.8Confident66.1Low3 Ų367.4 Ų67.42%0.01836%0.355CS..Hα-helixtrans-109.24.6-173.462.20000114.1L111 V116 C117 I118 A138 V139 Q140 N144 Y145L111-T142 HydrophobicContact CD1-CG2 4.08Å; V116-T142 WeakPolarHBondContact O-CB 3.44Å; C117-T142 PolarHBondContact SG-O 3.31Å; I118-T142 PolarHBondContact N-OG1 2.93Å; I118-T142 PolarHBondContact O-OG1 3.47Å; A138-T142 PolarHBondContact O-N 3.17Å; A138-T142 PolarHBondContact O-OG1 3.28Å; V139-T142 PolarHBondContact O-N 3.29Å; Q140-T142 VanDerWaalsContact C-N 3.26Å; Q140-T142 PolarHBondContact O-N 3.27Å; T142-N144 VanDerWaalsContact C-N 3.34Å; T142-N144 PolarHBondContact O-N 3.45Å; T142-Y145 WeakPolarHBondContact O-CD2 3.25Å
143K71.9Confident64.9Low99 Ų9969.9 Ų69.943%0.4337%0.369SS..G310 helixtrans-67.2-25.1-17175.3-174.6179.4173.50115.6V139 Q140 Y145V139-K143 WeakPolarHBondContact O-CB 3.45Å; V139-K143 PolarHBondContact O-N 3.01Å; V139-K143 VanDerWaalsContact O-N 3.14Å; Q140-K143 HydrophobicContact CG-CD 4.42Å; Q140-K143 WeakPolarHBondContact O-CG 3.44Å; K143-Y145 VanDerWaalsContact C-N 3.26Å; K143-Y145 PolarHBondContact O-N 3.05Å
144N63.1Low63.4Low129 Ų12972.4 Ų72.469%0.6938%0.383SS*.G310 helixtrans-80.2-1.9-168.4-69.6-16.8000114.1T142T142-N144 VanDerWaalsContact C-N 3.34Å; T142-N144 PolarHBondContact O-N 3.45Å
145Y56.4Low62.8Low93 Ų9372.4 Ų72.437%0.36538%0.383SS..G310 helixtrans-97.723.7-174.7-54.8-65.1000113.9Q112 T142 K143Q112-Y145 WeakPolarHBondContact CG-OH 3.34Å; T142-Y145 WeakPolarHBondContact O-CD2 3.25Å; K143-Y145 VanDerWaalsContact C-N 3.26Å; K143-Y145 PolarHBondContact O-N 3.05Å
146N47.3Very low62.3Low53 Ų5373.5 Ų73.528%0.28339%0.387SS..  trans-122107.2-171.2-150.956.2000111.4R119R119-N146 PolarHBondContact NH1-ND2 3.23Å; R119-N146 VanDerWaalsContact NH1-ND2 3.14Å; R119-N146 PolarHBondContact NH1-OD1 3.3Å
147N31Very low61.8Low150 Ų15075.7 Ų75.780%0.80240%0.402SS*.  trans-115.9103.3166.9-75.9-21.9000106.4
148D30.6Very low61.5Low132 Ų13275 Ų7571%0.70640%0.4SS*.  trans-172131.3155.9-87.2-28.9000110.2
149I30.8Very low61.3Low170 Ų17080.9 Ų80.987%0.87242%0.423SS*.  trans-117.2132.1179-63.3171.9000107.7
150S31.1Very low61.5Low76 Ų7680.4 Ų80.453%0.53142%0.42SS..  trans-152.5173.116772.80000114K156S150-K156 WeakPolarHBondContact O-CE 3.46Å
151E42Very low61.5Low156 Ų15678.5 Ų78.573%0.72941%0.412SS*.  trans-105.6171.8-149.9-132.3-176.7175.400116.6
152S60.6Low61.6Low61 Ų6181.3 Ų81.343%0.42741%0.413SS..  trans86.3130.3-170.3171.60000116.5D155 K156S152-D155 WeakPolarHBondContact CB-OD2 3.45Å; S152-D155 PolarHBondContact OG-OD2 3.33Å; S152-K156 WeakPolarHBondContact O-CB 3.42Å; S152-K156 WeakPolarHBondContact O-CG 3.46Å; S152-K156 PolarHBondContact O-N 3.17Å
153L63Low62.1Low74 Ų7481.6 Ų81.639%0.38742%0.415SS..Hα-helixtrans-68.5-44.3-170.5177.663.1000113.6K156 C157 V276 F279 L280L153-K156 PolarHBondContact O-N 2.92Å; L153-C157 PolarHBondContact O-N 2.84Å; L153-C157 PolarHBondContact O-SG 2.76Å; L153-V276 HydrophobicContact CD1-CG1 4.24Å; L153-V276 HydrophobicContact CD2-CG2 4.37Å; L153-F279 HydrophobicContact CD1-CD1 3.54Å; L153-F279 HydrophobicContact CD1-CE1 3.63Å; L153-L280 HydrophobicContact CD1-CD2 3.95Å; L153-L280 HydrophobicContact CD1-CG 4.31Å
154L57.9Low63Low86 Ų8679.7 Ų79.745%0.4541%0.413SS..Hα-helixtrans-65.4-46.5179.1-171.7156.7000110K156 C157 L158 W184L154-K156 PolarHBondContact O-N 3.39Å; L154-C157 WeakPolarHBondContact O-CA 3.47Å; L154-C157 WeakPolarHBondContact O-CB 3.29Å; L154-C157 PolarHBondContact O-N 2.87Å; L154-L158 HydrophobicContact CD2-CD1 4.14Å; L154-L158 HydrophobicContact CD2-CD2 4.2Å; L154-L158 HydrophobicContact CD2-CG 4.1Å; L154-L158 PolarHBondContact O-N 2.97Å; L154-L158 VanDerWaalsContact O-N 3.11Å; L154-W184 HydrophobicContact CD1-CH2 4.05Å; L154-W184 HydrophobicContact CD1-CZ3 4.24Å; L154-W184 HydrophobicContact CD2-CD2 4.04Å; L154-W184 HydrophobicContact CD2-CE3 4.25Å; L154-W184 HydrophobicContact CD2-CH2 4.04Å; L154-W184 HydrophobicContact CD2-CZ2 3.82Å; L154-W184 HydrophobicContact CD2-CZ3 4.25Å
155D75.4Confident64.4Low32 Ų3277.2 Ų77.217%0.17140%0.397CS..Hα-helixtrans-53.6-41.2173.3-65.5-57.6000111.4S152 C157 L158 N161 H165 W184S152-D155 WeakPolarHBondContact CB-OD2 3.45Å; S152-D155 PolarHBondContact OG-OD2 3.33Å; D155-C157 VanDerWaalsContact C-N 3.3Å; D155-C157 PolarHBondContact O-N 2.99Å; D155-L158 PolarHBondContact O-N 3.39Å; D155-N161 WeakPolarHBondContact O-CB 3.49Å; D155-H165 IonicContact OD1-CE1 3.69Å; D155-H165 IonicContact OD1-NE2 2.77Å; D155-H165 PolarHBondContact OD1-NE2 2.9Å; D155-W184 PolarHBondContact OD1-NE1 2.73Å
156K75.3Confident66.4Low29 Ų2972.9 Ų72.913%0.12638%0.38CS..Hα-helixtrans-70.4-21.1176.3-73.6175.8-177179.70115S150 S152 L153 L154 N161 L280 R287S150-K156 WeakPolarHBondContact O-CE 3.46Å; S152-K156 WeakPolarHBondContact O-CB 3.42Å; S152-K156 WeakPolarHBondContact O-CG 3.46Å; S152-K156 PolarHBondContact O-N 3.17Å; L153-K156 PolarHBondContact O-N 2.92Å; L154-K156 PolarHBondContact O-N 3.39Å; K156-N161 WeakPolarHBondContact O-CB 3.43Å; K156-N161 PolarHBondContact O-ND2 3.07Å; K156-L280 HydrophobicContact CB-CD2 3.48Å; K156-L280 VanDerWaalsContact CB-CD2 3.48Å; K156-L280 HydrophobicContact CD-CD1 3.36Å; K156-L280 HydrophobicContact CD-CD2 3.74Å; K156-L280 HydrophobicContact CD-CG 4.18Å; K156-L280 HydrophobicContact CG-CD2 4.23Å; K156-R287 PolarHBondContact O-NH1 3.14Å
157C72.9Confident68.8Low49 Ų4971.5 Ų71.533%0.33137%0.373SS..Hα-helixtrans-86.9-20.7175.9-69.20000113.2L153 L154 D155 F279 L283 R287L153-C157 PolarHBondContact O-N 2.84Å; L153-C157 PolarHBondContact O-SG 2.76Å; L154-C157 WeakPolarHBondContact O-CA 3.47Å; L154-C157 WeakPolarHBondContact O-CB 3.29Å; L154-C157 PolarHBondContact O-N 2.87Å; D155-C157 VanDerWaalsContact C-N 3.3Å; D155-C157 PolarHBondContact O-N 2.99Å; C157-F279 VanDerWaalsContact SG-CE1 3.54Å; C157-L283 HydrophobicContact CB-CD2 4.47Å; C157-R287 PolarHBondContact O-NH2 3.41Å
158L78.1Confident72Confident45 Ų4564.3 Ų64.324%0.23633%0.334CS..SBendtrans-63157.4175-63.8175.5000110.9L154 D155 T160 N161 W184 Q185 R287L154-L158 HydrophobicContact CD2-CD1 4.14Å; L154-L158 HydrophobicContact CD2-CD2 4.2Å; L154-L158 HydrophobicContact CD2-CG 4.1Å; L154-L158 PolarHBondContact O-N 2.97Å; L154-L158 VanDerWaalsContact O-N 3.11Å; D155-L158 PolarHBondContact O-N 3.39Å; L158-T160 PolarHBondContact O-N 3.49Å; L158-N161 WeakPolarHBondContact O-CB 3.22Å; L158-N161 PolarHBondContact O-N 3.32Å; L158-W184 HydrophobicContact CD1-CB 4.48Å; L158-W184 HydrophobicContact CD1-CG 4.09Å; L158-Q185 HydrophobicContact CD1-CG 4.48Å; L158-R287 PolarHBondContact O-NH2 3.37Å; L158-R287 VanDerWaalsContact O-NH2 3.13Å
159Y79.1Confident75.2Confident123 Ų12358.2 Ų58.248%0.48230%0.302SS..THydrogen-bonded Turntrans-61-28173.3-60.6-45.4000112.2L121 D123 N161L121-Y159 WeakPolarHBondContact CD2-O 3.43Å; D123-Y159 PolarHBondContact OD1-OH 2.8Å; Y159-N161 VanDerWaalsContact C-N 3.26Å; Y159-N161 PolarHBondContact O-N 2.95Å
160T85.9Confident78.5Confident12 Ų1250.1 Ų50.17%0.07426%0.26CS..THydrogen-bonded Turntrans-8514.6179.659.40000113.4L121 L158 R162 S163 L182 Q185L121-T160 HydrophobicContact CD1-CG2 3.59Å; L158-T160 PolarHBondContact O-N 3.49Å; T160-R162 PolarHBondContact O-N 3.36Å; T160-S163 WeakPolarHBondContact O-CB 3.49Å; T160-S163 PolarHBondContact O-N 3.41Å; T160-S163 VanDerWaalsContact O-O 3.11Å; T160-L182 HydrophobicContact CG2-CD2 3.91Å; T160-Q185 PolarHBondContact OG1-NE2 3.5Å
161N81.2Confident81.7Confident31 Ų3146.8 Ų46.817%0.16624%0.236CC..THydrogen-bonded Turntrans-61-16.9-171.670.5-31.4000115.9D155 K156 L158 Y159 S163 E284 R287D155-N161 WeakPolarHBondContact O-CB 3.49Å; K156-N161 WeakPolarHBondContact O-CB 3.43Å; K156-N161 PolarHBondContact O-ND2 3.07Å; L158-N161 WeakPolarHBondContact O-CB 3.22Å; L158-N161 PolarHBondContact O-N 3.32Å; Y159-N161 VanDerWaalsContact C-N 3.26Å; Y159-N161 PolarHBondContact O-N 2.95Å; N161-S163 VanDerWaalsContact C-N 3.34Å; N161-E284 PolarHBondContact ND2-OE1 3.47Å; N161-R287 PolarHBondContact ND2-NH1 3.45Å
162R83.7Confident84.4Confident104 Ų10439.4 Ų39.439%0.39220%0.202SC..THydrogen-bonded Turntrans-94.89.3176.9-65.1175.6-171.3178.82.2112.9T160 E284T160-R162 PolarHBondContact O-N 3.36Å; R162-E284 IonicContact CZ-OE2 2.77Å; R162-E284 IonicContact NE-OE2 3.83Å; R162-E284 IonicContact NH2-OE2 2.76Å; R162-E284 PolarHBondContact NH2-OE2 2.99Å
163S86.1Confident86.1Confident10 Ų1037 Ų377%0.0719%0.185CC..SBendtrans-127.7132.6-176.6-62.80000109.9E72 R119 T160 N161E72-S163 WeakPolarHBondContact OE1-CA 3.42Å; E72-S163 WeakPolarHBondContact OE1-CB 3.29Å; E72-S163 PolarHBondContact OE1-OG 3.48Å; R119-S163 PolarHBondContact NH2-OG 2.83Å; T160-S163 WeakPolarHBondContact O-CB 3.49Å; T160-S163 PolarHBondContact O-N 3.41Å; T160-S163 VanDerWaalsContact O-O 3.11Å; N161-S163 VanDerWaalsContact C-N 3.34Å
164P90.5Very high87.5Confident58 Ų5835.4 Ų35.438%0.37719%0.186SC..PPolyproline II helixtrans-56.2157.8159.626.2-37.2000111.2H28 E72H28-P164 PolarHBondContact CE1-O 2.8Å; H28-P164 PolarHBondContact ND1-O 2.81Å; E72-P164 WeakPolarHBondContact OE2-CD 3.29Å; E72-P164 WeakPolarHBondContact OE2-CG 3.19Å
165H94Very high89.3Confident78 Ų7833.8 Ų33.836%0.36118%0.176SC..PPolyproline II helixtrans-58140.7171-69.7-178.7000110.6D155 D167 Q185D155-H165 IonicContact OD1-CE1 3.69Å; D155-H165 IonicContact OD1-NE2 2.77Å; D155-H165 PolarHBondContact OD1-NE2 2.9Å; H165-D167 PolarHBondContact O-N 2.97Å; H165-Q185 WeakPolarHBondContact CB-O 3.46Å
166P97.1Very high90.3Very high2 Ų237.7 Ų37.71%0.01320%0.201CC..PPolyproline II helixtrans-56.6140.5177.8-2332000111.8A30 L182 T186 S189A30-P166 HydrophobicContact CB-CB 3.9Å; A30-P166 HydrophobicContact CB-CG 3.8Å; P166-L182 HydrophobicContact CG-CD1 3.98Å; P166-T186 HydrophobicContact CB-CG2 4.34Å; P166-T186 HydrophobicContact CG-CG2 3.99Å; P166-S189 VanDerWaalsContact O-CB 3.32Å; P166-S189 WeakPolarHBondContact O-CB 3.33Å; P166-S189 PolarHBondContact O-OG 3.13Å
167D98.1Very high91.3Very high23 Ų2342.1 Ų42.112%0.12322%0.217CC..SBendtrans-76.3-34.9169.6-73.3-61.9000111.2P26 K27 H28 H165 C190 F213 R224P26-D167 HydrophobicContact CB-CB 3.63Å; K27-D167 PolarHBondContact N-OD2 2.94Å; H28-D167 PolarHBondContact N-OD2 2.75Å; H28-D167 PolarHBondContact O-N 3.49Å; H165-D167 PolarHBondContact O-N 2.97Å; D167-C190 PolarHBondContact O-N 3.19Å; D167-F213 HydrophobicContact CB-CD2 4.15Å; D167-F213 HydrophobicContact CB-CE2 3.67Å; D167-F213 HydrophobicContact CB-CZ 4.19Å; D167-R224 IonicContact OD1-NH1 2.97Å
168I98.6Very high92.3Very high0 Ų041.8 Ų41.80%021%0.212CC..EExtended strand (participates in β ladder)trans-131134.6-179-43-176.4000109.2P26 I29 A30 I170 C190 V192 I210 F213P26-I168 HydrophobicContact CB-CD1 3.86Å; P26-I168 HydrophobicContact CB-CG1 3.92Å; P26-I168 HydrophobicContact CG-CD1 3.75Å; P26-I168 HydrophobicContact CG-CG1 4.37Å; I29-I168 HydrophobicContact CD1-CD1 4.08Å; I29-I168 HydrophobicContact CG1-CB 4.25Å; I29-I168 HydrophobicContact CG1-CD1 4.24Å; I29-I168 HydrophobicContact CG1-CG1 4.31Å; I29-I168 HydrophobicContact CG2-CB 4.3Å; A30-I168 PolarHBondContact N-O 3.35Å; I168-I170 HydrophobicContact CG2-CD1 4.19Å; I168-I170 HydrophobicContact CG2-CG1 3.64Å; I168-C190 CarbonylContact C-O 3.53Å; I168-C190 WeakPolarHBondContact CA-O 3.29Å; I168-V192 HydrophobicContact CG2-CB 4.49Å; I168-V192 HydrophobicContact CG2-CG2 3.85Å; I168-I210 HydrophobicContact CD1-CG1 4.32Å; I168-F213 HydrophobicContact CD1-CB 3.4Å; I168-F213 VanDerWaalsContact CD1-CB 3.4Å; I168-F213 HydrophobicContact CD1-CD2 4.42Å; I168-F213 HydrophobicContact CD1-CG 3.89Å; I168-F213 HydrophobicContact CG1-CB 3.73Å; I168-F213 HydrophobicContact CG1-CD2 3.95Å; I168-F213 HydrophobicContact CG1-CG 3.94Å
169L98.7Very high93Very high4 Ų442 Ų422%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-111.8115.8163.2176.864.9000109.1A30 I32 L178 F181 T186 C190 L191 V192A30-L169 HydrophobicContact CB-CD1 3.64Å; A30-L169 WeakPolarHBondContact O-CA 3.43Å; I32-L169 HydrophobicContact CD1-CD1 4.42Å; I32-L169 HydrophobicContact CD1-CD2 4.48Å; I32-L169 HydrophobicContact CG1-CD1 4.22Å; L169-L178 HydrophobicContact CD2-CD2 3.6Å; L169-F181 HydrophobicContact CD1-CD1 3.76Å; L169-F181 HydrophobicContact CD1-CE1 3.79Å; L169-T186 HydrophobicContact CB-CG2 4.01Å; L169-T186 HydrophobicContact CD2-CG2 4.02Å; L169-T186 HydrophobicContact CG-CG2 4.4Å; L169-C190 PolarHBondContact N-O 3.42Å; L169-L191 HydrophobicContact CB-CD2 3.87Å; L169-L191 HydrophobicContact CD2-CD2 4.01Å; L169-L191 HydrophobicContact CG-CD2 4.44Å; L169-V192 PolarHBondContact O-N 3.33Å
170I98.8Very high93.7Very high0 Ų042 Ų420%023%0.225CC..EExtended strand (participates in β ladder)trans-104.1132.2-179.8-57174.1000109.2I29 A30 F31 I32 I168 V192 Y201 L206 A209I29-I170 HydrophobicContact CG2-CD1 3.72Å; I29-I170 HydrophobicContact CG2-CG1 4.19Å; A30-I170 PolarHBondContact O-N 2.79Å; F31-I170 CarbonylContact C-O 3.58Å; F31-I170 WeakPolarHBondContact CA-O 3.49Å; F31-I170 HydrophobicContact CD1-CB 3.83Å; F31-I170 HydrophobicContact CD1-CD1 4.16Å; F31-I170 HydrophobicContact CD1-CG2 4.09Å; F31-I170 HydrophobicContact CE1-CB 4.08Å; F31-I170 HydrophobicContact CE1-CD1 3.51Å; F31-I170 HydrophobicContact CE1-CG1 4.31Å; F31-I170 HydrophobicContact CE1-CG2 4.26Å; F31-I170 HydrophobicContact CZ-CD1 3.91Å; I32-I170 PolarHBondContact N-O 3.49Å; I168-I170 HydrophobicContact CG2-CD1 4.19Å; I168-I170 HydrophobicContact CG2-CG1 3.64Å; I170-V192 CarbonylContact C-O 3.3Å; I170-V192 WeakPolarHBondContact CA-O 3.41Å; I170-V192 HydrophobicContact CG1-CB 4.31Å; I170-Y201 HydrophobicContact CG2-CE2 4.41Å; I170-L206 HydrophobicContact CD1-CD1 4.21Å; I170-A209 HydrophobicContact CD1-CB 3.41Å; I170-A209 VanDerWaalsContact CD1-CB 3.41Å; I170-A209 HydrophobicContact CG1-CB 3.92Å
171R98.6Very high94.2Very high6 Ų642.1 Ų42.12%0.02323%0.225CC..EExtended strand (participates in β ladder)trans-124.9126.1169.1176.1168.7-174.2159.62.3111I32 D34 E175 R177 S179 V192 F193 Q194I32-R171 HydrophobicContact CB-CB 3.98Å; I32-R171 HydrophobicContact CB-CG 3.94Å; I32-R171 HydrophobicContact CD1-CB 4.26Å; I32-R171 HydrophobicContact CD1-CG 4.45Å; I32-R171 HydrophobicContact CG2-CG 4.03Å; D34-R171 IonicContact OD2-CZ 3.47Å; D34-R171 IonicContact OD2-NE 3.93Å; D34-R171 IonicContact OD2-NH2 3.94Å; D34-R171 PolarHBondContact OD2-NH2 2.94Å; R171-E175 WeakPolarHBondContact CD-O 3.39Å; R171-R177 WeakPolarHBondContact CD-O 3.48Å; R171-R177 PolarHBondContact NH1-O 3.26Å; R171-S179 PolarHBondContact NH1-OG 3.46Å; R171-V192 PolarHBondContact N-O 3.38Å; R171-F193 HydrophobicContact CB-CD1 3.81Å; R171-F193 HydrophobicContact CB-CE1 4.1Å; R171-F193 HydrophobicContact CG-CD1 4.33Å; R171-Q194 PolarHBondContact O-N 3.09Å
172T98.4Very high94.8Very high1 Ų141.7 Ų41.71%0.00622%0.223CC..  trans-84.7174.8174.851.80000111.9I32 D34 Q194 V196 W198 Y201I32-T172 PolarHBondContact O-N 3.46Å; I32-T172 PolarHBondContact O-OG1 3.37Å; D34-T172 PolarHBondContact N-OG1 2.87Å; D34-T172 PolarHBondContact O-OG1 3.12Å; T172-Q194 CarbonylContact C-O 3.59Å; T172-Q194 VanDerWaalsContact C-O 3.3Å; T172-Q194 WeakPolarHBondContact CA-O 3.36Å; T172-V196 VanDerWaalsContact CB-O 3.24Å; T172-V196 WeakPolarHBondContact CB-O 3.43Å; T172-V196 HydrophobicContact CG2-CG1 4.16Å; T172-W198 HydrophobicContact CG2-CE3 3.88Å; T172-Y201 HydrophobicContact CG2-CD2 3.53Å; T172-Y201 HydrophobicContact CG2-CE2 3.71Å
173S96.3Very high95.2Very high10 Ų1041 Ų417%0.0723%0.226CC..THydrogen-bonded Turntrans76.18.5173.978.10000117.9D34 R38 E175 Q194 V196D34-S173 WeakPolarHBondContact CB-OG 3.32Å; D34-S173 PolarHBondContact OD2-OG 3.08Å; R38-S173 VanDerWaalsContact CZ-CB 3.49Å; R38-S173 PolarHBondContact NH1-O 2.87Å; R38-S173 PolarHBondContact NH2-OG 3.45Å; S173-E175 VanDerWaalsContact C-N 3.27Å; S173-E175 PolarHBondContact O-N 2.93Å; S173-E175 WeakPolarHBondContact OG-CG 3.25Å; S173-Q194 PolarHBondContact N-O 3.49Å; S173-V196 WeakPolarHBondContact CA-O 3.28Å; S173-V196 PolarHBondContact N-O 3.48Å
174G92.9Very high95.4Very high41 Ų4146 Ų4642%0.42324%0.244SC..THydrogen-bonded Turntrans79.43173.900000115.3Q194G174-Q194 PolarHBondContact N-O 3.34Å
175E96.1Very high95.5Very high51 Ų5144.1 Ų44.124%0.23823%0.23CC..  trans-78128.8176.5-55-66145.200110.7R38 R171 S173 R177 F193R38-E175 IonicContact CZ-OE1 3.76Å; R38-E175 IonicContact NH1-OE1 3.96Å; R38-E175 PolarHBondContact NH1-OE1 2.98Å; R38-E175 IonicContact NH2-OE1 3.53Å; R171-E175 WeakPolarHBondContact CD-O 3.39Å; S173-E175 VanDerWaalsContact C-N 3.27Å; S173-E175 PolarHBondContact O-N 2.93Å; S173-E175 WeakPolarHBondContact OG-CG 3.25Å; E175-R177 PolarHBondContact O-N 3.29Å; E175-R177 IonicContact OE2-CZ 3.29Å; E175-R177 IonicContact OE2-NH1 3.68Å; E175-R177 PolarHBondContact OE2-NH1 3.31Å; E175-R177 IonicContact OE2-NH2 3.96Å; E175-R177 PolarHBondContact OE2-NH2 2.96Å; E175-F193 WeakPolarHBondContact O-CD1 3.15Å
176V96.9Very high95.6Very high114 Ų11440.7 Ų40.769%0.69121%0.214SC*.  trans-102.352.6-175.9-66.50000112.8F193V176-F193 HydrophobicContact CG1-CB 4.27Å; V176-F193 HydrophobicContact CG1-CG 4.24Å
177R96.4Very high95.5Very high122 Ų12244.3 Ų44.346%0.4624%0.239SC..SBendtrans-142.8163.4176.270.3-176.1165.7-77.3-5.3111.3R171 E175R171-R177 WeakPolarHBondContact CD-O 3.48Å; R171-R177 PolarHBondContact NH1-O 3.26Å; E175-R177 PolarHBondContact O-N 3.29Å; E175-R177 IonicContact OE2-CZ 3.29Å; E175-R177 IonicContact OE2-NH1 3.68Å; E175-R177 PolarHBondContact OE2-NH1 3.31Å; E175-R177 IonicContact OE2-NH2 3.96Å; E175-R177 PolarHBondContact OE2-NH2 2.96Å
178L93.3Very high95.4Very high43 Ų4345.9 Ų45.923%0.22525%0.246CC..  trans-90-19-179.8-57.6-172.8000114I32 L169 D180 F181 L183 L191 F193I32-L178 VanDerWaalsContact CD1-O 3.29Å; I32-L178 WeakPolarHBondContact CD1-O 3.45Å; L169-L178 HydrophobicContact CD2-CD2 3.6Å; L178-D180 VanDerWaalsContact C-N 3.25Å; L178-D180 PolarHBondContact O-N 2.94Å; L178-F181 WeakPolarHBondContact O-CB 3.46Å; L178-F181 PolarHBondContact O-N 2.82Å; L178-L183 HydrophobicContact CB-CD2 3.84Å; L178-L183 HydrophobicContact CD1-CD2 3.81Å; L178-L183 HydrophobicContact CG-CD2 4.47Å; L178-L191 HydrophobicContact CD2-CD1 4.43Å; L178-L191 HydrophobicContact CD2-CD2 4.43Å; L178-F193 HydrophobicContact CD2-CE1 4.45Å; L178-F193 HydrophobicContact CD2-CZ 4.1Å
179S93.4Very high95.3Very high49 Ų4946.3 Ų46.334%0.34325%0.249SC..THydrogen-bonded Turntrans52.342.6179.4-74.20000113.6R171 F181R171-S179 PolarHBondContact NH1-OG 3.46Å; S179-F181 VanDerWaalsContact C-N 3.26Å; S179-F181 PolarHBondContact O-N 3.08Å
180D92.8Very high95.3Very high123 Ų12346.4 Ų46.466%0.65825%0.25SS*.THydrogen-bonded Turntrans6129.7176.2-148.46.6000114.5L178 L183L178-D180 VanDerWaalsContact C-N 3.25Å; L178-D180 PolarHBondContact O-N 2.94Å; D180-L183 WeakPolarHBondContact OD1-CD1 3.33Å
181F95.6Very high95.3Very high14 Ų1449.9 Ų49.96%0.06127%0.268CS..SBendtrans-105.7121-179.9-174.4-120.5000111.8A30 I32 T74 Y76 L169 L178 S179 L183A30-F181 HydrophobicContact CB-CE1 4.17Å; I32-F181 HydrophobicContact CD1-CB 4.06Å; I32-F181 HydrophobicContact CD1-CD1 3.9Å; I32-F181 HydrophobicContact CD1-CG 4.4Å; I32-F181 HydrophobicContact CG1-CB 4.26Å; I32-F181 HydrophobicContact CG1-CD1 3.41Å; I32-F181 VanDerWaalsContact CG1-CD1 3.41Å; I32-F181 HydrophobicContact CG1-CE1 3.99Å; I32-F181 HydrophobicContact CG1-CG 4.1Å; T74-F181 HydrophobicContact CG2-CZ 4.01Å; Y76-F181 VanDerWaalsContact CB-CE2 3.48Å; Y76-F181 HydrophobicContact CD1-CB 3.61Å; Y76-F181 HydrophobicContact CD1-CD1 4.38Å; Y76-F181 AromaticContact CD1-CD2 3.56Å; Y76-F181 HydrophobicContact CD1-CD2 3.56Å; Y76-F181 HydrophobicContact CD1-CE2 4.31Å; Y76-F181 AromaticContact CD1-CG 3.6Å; Y76-F181 HydrophobicContact CD1-CG 3.6Å; Y76-F181 AromaticContact CD2-CD2 3.54Å; Y76-F181 HydrophobicContact CD2-CD2 3.54Å; Y76-F181 AromaticContact CD2-CE2 3.76Å; Y76-F181 HydrophobicContact CD2-CE2 3.76Å; Y76-F181 HydrophobicContact CD2-CG 4.41Å; Y76-F181 HydrophobicContact CE1-CB 3.67Å; Y76-F181 AromaticContact CE1-CD2 3.99Å; Y76-F181 HydrophobicContact CE1-CD2 3.99Å; Y76-F181 HydrophobicContact CE1-CG 4.08Å; Y76-F181 AromaticContact CE2-CD2 3.94Å; Y76-F181 HydrophobicContact CE2-CD2 3.94Å; Y76-F181 HydrophobicContact CE2-CE2 4.5Å; Y76-F181 HydrophobicContact CG-CB 4.28Å; Y76-F181 HydrophobicContact CG-CD1 4.46Å; Y76-F181 AromaticContact CG-CD2 3.31Å; Y76-F181 HydrophobicContact CG-CD2 3.31Å; Y76-F181 AromaticContact CG-CE2 3.62Å; Y76-F181 HydrophobicContact CG-CE2 3.62Å; Y76-F181 AromaticContact CG-CG 3.78Å; Y76-F181 HydrophobicContact CG-CG 3.78Å; Y76-F181 HydrophobicContact CG-CZ 4.29Å; L169-F181 HydrophobicContact CD1-CD1 3.76Å; L169-F181 HydrophobicContact CD1-CE1 3.79Å; L178-F181 WeakPolarHBondContact O-CB 3.46Å; L178-F181 PolarHBondContact O-N 2.82Å; S179-F181 VanDerWaalsContact C-N 3.26Å; S179-F181 PolarHBondContact O-N 3.08Å; F181-L183 PolarHBondContact O-N 2.65Å; F181-L183 VanDerWaalsContact O-N 3.14Å
182L94.1Very high95.3Very high23 Ų2349.7 Ų49.712%0.1227%0.268CS..SBendtrans49.937.2174.8-59.5-179.2000114.4A30 T74 T160 P166 W184 Q185 T186A30-L182 HydrophobicContact CB-CD1 3.77Å; T74-L182 HydrophobicContact CG2-CD1 3.96Å; T160-L182 HydrophobicContact CG2-CD2 3.91Å; P166-L182 HydrophobicContact CG-CD1 3.98Å; L182-W184 VanDerWaalsContact C-N 3.26Å; L182-W184 PolarHBondContact O-N 3.32Å; L182-Q185 HydrophobicContact CB-CB 4.32Å; L182-Q185 HydrophobicContact CD2-CG 4.46Å; L182-Q185 PolarHBondContact O-N 3.27Å; L182-Q185 PolarHBondContact O-OE1 3.06Å; L182-T186 HydrophobicContact CB-CG2 3.78Å; L182-T186 HydrophobicContact CD1-CG2 4.47Å; L182-T186 WeakPolarHBondContact O-CB 3.41Å; L182-T186 PolarHBondContact O-N 3.15Å; L182-T186 PolarHBondContact O-OG1 3.27Å
183L93.4Very high95.3Very high89 Ų8953.2 Ų53.247%0.46628%0.283SS..THydrogen-bonded Turntrans-55.3-40.4-173.7-61.8-176.8000113.1L178 D180 F181L178-L183 HydrophobicContact CB-CD2 3.84Å; L178-L183 HydrophobicContact CD1-CD2 3.81Å; L178-L183 HydrophobicContact CG-CD2 4.47Å; D180-L183 WeakPolarHBondContact OD1-CD1 3.33Å; F181-L183 PolarHBondContact O-N 2.65Å; F181-L183 VanDerWaalsContact O-N 3.14Å
184W89.6Confident95.4Very high115 Ų11552.9 Ų52.944%0.43628%0.28SS..THydrogen-bonded Turntrans-69.8-53.3178.3178.6-83.1000111.3L154 D155 L158 L182 T186 S187L154-W184 HydrophobicContact CD1-CH2 4.05Å; L154-W184 HydrophobicContact CD1-CZ3 4.24Å; L154-W184 HydrophobicContact CD2-CD2 4.04Å; L154-W184 HydrophobicContact CD2-CE3 4.25Å; L154-W184 HydrophobicContact CD2-CH2 4.04Å; L154-W184 HydrophobicContact CD2-CZ2 3.82Å; L154-W184 HydrophobicContact CD2-CZ3 4.25Å; D155-W184 PolarHBondContact OD1-NE1 2.73Å; L158-W184 HydrophobicContact CD1-CB 4.48Å; L158-W184 HydrophobicContact CD1-CG 4.09Å; L182-W184 VanDerWaalsContact C-N 3.26Å; L182-W184 PolarHBondContact O-N 3.32Å; W184-T186 VanDerWaalsContact C-N 3.26Å; W184-T186 PolarHBondContact O-N 2.88Å; W184-S187 WeakPolarHBondContact O-CB 3.33Å; W184-S187 PolarHBondContact O-N 2.51Å; W184-S187 PolarHBondContact O-OG 3.2Å
185Q93.3Very high95.7Very high19 Ų1956.1 Ų56.19%0.08929%0.294CS..THydrogen-bonded Turntrans-66.4-29.7-173.5-58.187.3-27.100111.8L158 T160 H165 L182L158-Q185 HydrophobicContact CD1-CG 4.48Å; T160-Q185 PolarHBondContact OG1-NE2 3.5Å; H165-Q185 WeakPolarHBondContact CB-O 3.46Å; L182-Q185 HydrophobicContact CB-CB 4.32Å; L182-Q185 HydrophobicContact CD2-CG 4.46Å; L182-Q185 PolarHBondContact O-N 3.27Å; L182-Q185 PolarHBondContact O-OE1 3.06Å
186T96Very high95.8Very high6 Ų655 Ų554%0.03729%0.291CS..THydrogen-bonded Turntrans-96.98.6-17560.80000115P166 L169 L182 W184 H188 S189P166-T186 HydrophobicContact CB-CG2 4.34Å; P166-T186 HydrophobicContact CG-CG2 3.99Å; L169-T186 HydrophobicContact CB-CG2 4.01Å; L169-T186 HydrophobicContact CD2-CG2 4.02Å; L169-T186 HydrophobicContact CG-CG2 4.4Å; L182-T186 HydrophobicContact CB-CG2 3.78Å; L182-T186 HydrophobicContact CD1-CG2 4.47Å; L182-T186 WeakPolarHBondContact O-CB 3.41Å; L182-T186 PolarHBondContact O-N 3.15Å; L182-T186 PolarHBondContact O-OG1 3.27Å; W184-T186 VanDerWaalsContact C-N 3.26Å; W184-T186 PolarHBondContact O-N 2.88Å; T186-H188 PolarHBondContact O-N 3.31Å; T186-H188 VanDerWaalsContact O-N 3.12Å; T186-S189 VanDerWaalsContact CA-OG 3.27Å; T186-S189 WeakPolarHBondContact CA-OG 3.49Å; T186-S189 PolarHBondContact O-N 3.21Å
187S94.8Very high95.9Very high77 Ų7750.8 Ų50.854%0.53826%0.264SS..THydrogen-bonded Turntrans-56.8-27.7179.957.60000114.6W184W184-S187 WeakPolarHBondContact O-CB 3.33Å; W184-S187 PolarHBondContact O-N 2.51Å; W184-S187 PolarHBondContact O-OG 3.2Å
188H95.3Very high96Very high56 Ų5645.1 Ų45.126%0.25924%0.243SC..THydrogen-bonded Turntrans-129.630.6178.9-62.579.8000112.1T186 R224T186-H188 PolarHBondContact O-N 3.31Å; T186-H188 VanDerWaalsContact O-N 3.12Å; H188-R224 HydrophobicContact CB-CG 3.59Å
189S97.3Very high96.2Very high10 Ų1043.6 Ų43.67%0.0724%0.236CC..SBendtrans-94.6159.5175.1-54.30000111.1P166 T186 L191P166-S189 VanDerWaalsContact O-CB 3.32Å; P166-S189 WeakPolarHBondContact O-CB 3.33Å; P166-S189 PolarHBondContact O-OG 3.13Å; T186-S189 VanDerWaalsContact CA-OG 3.27Å; T186-S189 WeakPolarHBondContact CA-OG 3.49Å; T186-S189 PolarHBondContact O-N 3.21Å; S189-L191 PolarHBondContact O-N 3.19Å
190C98.3Very high96.5Very high6 Ų644.1 Ų44.14%0.04123%0.233CC..EExtended strand (participates in β ladder)trans-72.8118.5167.3-1750000109.5D167 I168 L169 F213 L220D167-C190 PolarHBondContact O-N 3.19Å; I168-C190 CarbonylContact C-O 3.53Å; I168-C190 WeakPolarHBondContact CA-O 3.29Å; L169-C190 PolarHBondContact N-O 3.42Å; C190-F213 HydrophobicContact CB-CB 4.26Å; C190-F213 HydrophobicContact CB-CD2 4.18Å; C190-L220 HydrophobicContact CB-CD1 3.82Å
191L98.6Very high96.8Very high73 Ų7338.3 Ų38.338%0.38220%0.201SC..EExtended strand (participates in β ladder)trans-93.5121.3178.3-54.2-175.5000109.9L169 L178 S189 F193L169-L191 HydrophobicContact CB-CD2 3.87Å; L169-L191 HydrophobicContact CD2-CD2 4.01Å; L169-L191 HydrophobicContact CG-CD2 4.44Å; L178-L191 HydrophobicContact CD2-CD1 4.43Å; L178-L191 HydrophobicContact CD2-CD2 4.43Å; S189-L191 PolarHBondContact O-N 3.19Å; L191-F193 HydrophobicContact CB-CE2 4.04Å; L191-F193 HydrophobicContact CB-CZ 4.44Å
192V98.6Very high96.9Very high1 Ų140.2 Ų40.21%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-123.2114.3-177.9-177.60000109.7I168 L169 I170 R171 Q194 A209 Q212I168-V192 HydrophobicContact CG2-CB 4.49Å; I168-V192 HydrophobicContact CG2-CG2 3.85Å; L169-V192 PolarHBondContact O-N 3.33Å; I170-V192 CarbonylContact C-O 3.3Å; I170-V192 WeakPolarHBondContact CA-O 3.41Å; I170-V192 HydrophobicContact CG1-CB 4.31Å; R171-V192 PolarHBondContact N-O 3.38Å; V192-Q194 HydrophobicContact CG1-CG 3.97Å; V192-A209 HydrophobicContact CB-CB 4.33Å; V192-A209 HydrophobicContact CG1-CB 3.92Å; V192-A209 HydrophobicContact CG2-CB 4.24Å; V192-Q212 HydrophobicContact CG2-CB 4.09Å
193F98.6Very high97.1Very high75 Ų7539.1 Ų39.133%0.32921%0.209SC..EExtended strand (participates in β ladder)trans-106.3118.5177.2-59.5-77.9000109.6R171 E175 V176 L178 L191R171-F193 HydrophobicContact CB-CD1 3.81Å; R171-F193 HydrophobicContact CB-CE1 4.1Å; R171-F193 HydrophobicContact CG-CD1 4.33Å; E175-F193 WeakPolarHBondContact O-CD1 3.15Å; V176-F193 HydrophobicContact CG1-CB 4.27Å; V176-F193 HydrophobicContact CG1-CG 4.24Å; L178-F193 HydrophobicContact CD2-CE1 4.45Å; L178-F193 HydrophobicContact CD2-CZ 4.1Å; L191-F193 HydrophobicContact CB-CE2 4.04Å; L191-F193 HydrophobicContact CB-CZ 4.44Å
194Q98.5Very high97.4Very high3 Ų340.6 Ų40.61%0.01421%0.208CC..  trans-118.6137.9-177.5-70.7168.2-46.700111R171 T172 S173 G174 V192 V196 Y201 N205 E208R171-Q194 PolarHBondContact O-N 3.09Å; T172-Q194 CarbonylContact C-O 3.59Å; T172-Q194 VanDerWaalsContact C-O 3.3Å; T172-Q194 WeakPolarHBondContact CA-O 3.36Å; S173-Q194 PolarHBondContact N-O 3.49Å; G174-Q194 PolarHBondContact N-O 3.34Å; V192-Q194 HydrophobicContact CG1-CG 3.97Å; Q194-V196 VanDerWaalsContact C-N 3.28Å; Q194-V196 HydrophobicContact CB-CG1 4.02Å; Q194-V196 PolarHBondContact O-N 3.3Å; Q194-Y201 VanDerWaalsContact OE1-CE2 3.24Å; Q194-Y201 PolarHBondContact OE1-OH 2.89Å; Q194-N205 PolarHBondContact NE2-O 3.15Å; Q194-E208 PolarHBondContact NE2-OE2 3.41Å
195P98.4Very high97.8Very high110 Ų11036.5 Ų36.571%0.71420%0.195SC*.  trans-71-20.7-177.527.8-34.4000113.9
196V98.6Very high98.1Very high28 Ų2835.6 Ų35.617%0.1719%0.191CC..SBendtrans-55.5138.5-179.764.80000111.4T172 S173 Q194 E200 Y201T172-V196 VanDerWaalsContact CB-O 3.24Å; T172-V196 WeakPolarHBondContact CB-O 3.43Å; T172-V196 HydrophobicContact CG2-CG1 4.16Å; S173-V196 WeakPolarHBondContact CA-O 3.28Å; S173-V196 PolarHBondContact N-O 3.48Å; Q194-V196 VanDerWaalsContact C-N 3.28Å; Q194-V196 HydrophobicContact CB-CG1 4.02Å; Q194-V196 PolarHBondContact O-N 3.3Å; V196-E200 HydrophobicContact CG2-CB 3.96Å; V196-Y201 HydrophobicContact CG1-CD2 3.59Å; V196-Y201 HydrophobicContact CG1-CE2 3.98Å
197L98.7Very high98.2Very high25 Ų2537 Ų3713%0.13120%0.196CC..  trans-75.4143.6173.9-58.8178.2000109.8R38 K42 E200 Y201R38-L197 HydrophobicContact CB-CD1 4.12Å; R38-L197 HydrophobicContact CB-CD2 3.95Å; K42-L197 HydrophobicContact CD-CD1 4.31Å; L197-E200 HydrophobicContact CB-CG 4.4Å; L197-E200 WeakPolarHBondContact O-CA 3.45Å; L197-E200 WeakPolarHBondContact O-CB 3.37Å; L197-E200 PolarHBondContact O-N 3.38Å; L197-Y201 PolarHBondContact O-N 3.36Å
198W98.6Very high98.4Very high2 Ų237.5 Ų37.51%0.00819%0.19CC..G310 helixtrans-51-49.4-173.7174.2-107000114.4F31 M33 D34 G54 K57 L58 T61 T172 E200 Y201F31-W198 HydrophobicContact CB-CZ3 4.41Å; F31-W198 HydrophobicContact CD1-CH2 4.18Å; F31-W198 AromaticContact CD1-CZ3 3.75Å; F31-W198 HydrophobicContact CD1-CZ3 3.75Å; F31-W198 HydrophobicContact CE1-CZ3 4.33Å; F31-W198 HydrophobicContact CG-CH2 4.37Å; F31-W198 HydrophobicContact CG-CZ3 4.28Å; M33-W198 HydrophobicContact CB-CB 4.42Å; M33-W198 HydrophobicContact CB-CD2 3.56Å; M33-W198 HydrophobicContact CB-CE3 4.08Å; M33-W198 HydrophobicContact CB-CG 3.69Å; M33-W198 HydrophobicContact CB-CZ2 4.27Å; M33-W198 HydrophobicContact CG-CD2 3.66Å; M33-W198 VanDerWaalsContact CG-CE2 3.44Å; M33-W198 HydrophobicContact CG-CE3 3.9Å; M33-W198 HydrophobicContact CG-CG 4.31Å; M33-W198 HydrophobicContact CG-CH2 3.78Å; M33-W198 HydrophobicContact CG-CZ2 3.51Å; M33-W198 HydrophobicContact CG-CZ3 3.97Å; M33-W198 HydrophobicContact SD-CD2 4.33Å; M33-W198 HydrophobicContact SD-CH2 3.96Å; M33-W198 HydrophobicContact SD-CZ2 3.26Å; M33-W198 WeakPolarHBondContact SD-CZ2 3.36Å; D34-W198 WeakPolarHBondContact O-CB 3.37Å; D34-W198 PolarHBondContact O-N 3.4Å; G54-W198 VanDerWaalsContact CA-CD1 3.46Å; G54-W198 PolarHBondContact O-NE1 2.66Å; K57-W198 HydrophobicContact CB-CZ2 4.39Å; K57-W198 HydrophobicContact CG-CD2 4.46Å; K57-W198 HydrophobicContact CG-CZ2 4.16Å; K57-W198 WeakPolarHBondContact CG-O 3.37Å; L58-W198 HydrophobicContact CB-CZ2 4.13Å; T61-W198 HydrophobicContact CG2-CH2 4.32Å; T172-W198 HydrophobicContact CG2-CE3 3.88Å; W198-E200 PolarHBondContact O-N 3.1Å; W198-Y201 HydrophobicContact CE3-CG 4.38Å; W198-Y201 HydrophobicContact CZ3-CD1 4.29Å; W198-Y201 HydrophobicContact CZ3-CG 4.26Å; W198-Y201 VanDerWaalsContact O-CB 3.22Å; W198-Y201 WeakPolarHBondContact O-CB 3.5Å; W198-Y201 PolarHBondContact O-N 2.93Å
199P98.4Very high98.5Very high12 Ų1234.8 Ų34.88%0.07818%0.178CC..G310 helixtrans-62.1-17.6179.7-25.738000114.7N36 Y39 Q53 K57N36-P199 WeakPolarHBondContact OD1-CD 3.23Å; N36-P199 VanDerWaalsContact OD1-CG 3.27Å; N36-P199 WeakPolarHBondContact OD1-CG 3.36Å; Y39-P199 HydrophobicContact CD1-CB 3.59Å; Y39-P199 HydrophobicContact CD1-CG 3.62Å; Y39-P199 HydrophobicContact CD2-CB 3.88Å; Y39-P199 HydrophobicContact CD2-CG 4.34Å; Y39-P199 HydrophobicContact CE1-CB 3.75Å; Y39-P199 HydrophobicContact CE1-CG 4.25Å; Y39-P199 HydrophobicContact CE2-CB 4.02Å; Y39-P199 HydrophobicContact CG-CB 3.65Å; Y39-P199 HydrophobicContact CG-CG 3.66Å; Q53-P199 HydrophobicContact CB-CB 4.09Å; K57-P199 WeakPolarHBondContact CE-O 3.35Å
200E98.5Very high98.6Very high60 Ų6034.3 Ų34.328%0.2817%0.174SC..G310 helixtrans-95.62.3179.3-54-174.6122.400112.8Y39 K42 V196 L197 W198 T202Y39-E200 HydrophobicContact CD2-CG 3.49Å; Y39-E200 VanDerWaalsContact CD2-CG 3.49Å; Y39-E200 HydrophobicContact CE2-CG 3.61Å; K42-E200 IonicContact NZ-OE1 2.66Å; K42-E200 PolarHBondContact NZ-OE1 3.42Å; K42-E200 IonicContact NZ-OE2 3.04Å; K42-E200 PolarHBondContact NZ-OE2 3.28Å; V196-E200 HydrophobicContact CG2-CB 3.96Å; L197-E200 HydrophobicContact CB-CG 4.4Å; L197-E200 WeakPolarHBondContact O-CA 3.45Å; L197-E200 WeakPolarHBondContact O-CB 3.37Å; L197-E200 PolarHBondContact O-N 3.38Å; W198-E200 PolarHBondContact O-N 3.1Å; E200-T202 WeakPolarHBondContact O-CG2 3.32Å
201Y98.7Very high98.6Very high0 Ų037.2 Ų37.20%019%0.189CC..  trans-59.1140.2-177.1-156.7-106.2000111.9F31 K57 W64 I170 T172 Q194 V196 L197 W198 N205 L206F31-Y201 HydrophobicContact CE1-CE1 4.04Å; K57-Y201 VanDerWaalsContact CD-O 3.22Å; K57-Y201 WeakPolarHBondContact CD-O 3.15Å; K57-Y201 WeakPolarHBondContact CE-O 3.48Å; K57-Y201 PolarHBondContact NZ-O 3.41Å; W64-Y201 HydrophobicContact CZ3-CD1 4.34Å; I170-Y201 HydrophobicContact CG2-CE2 4.41Å; T172-Y201 HydrophobicContact CG2-CD2 3.53Å; T172-Y201 HydrophobicContact CG2-CE2 3.71Å; Q194-Y201 VanDerWaalsContact OE1-CE2 3.24Å; Q194-Y201 PolarHBondContact OE1-OH 2.89Å; V196-Y201 HydrophobicContact CG1-CD2 3.59Å; V196-Y201 HydrophobicContact CG1-CE2 3.98Å; L197-Y201 PolarHBondContact O-N 3.36Å; W198-Y201 HydrophobicContact CE3-CG 4.38Å; W198-Y201 HydrophobicContact CZ3-CD1 4.29Å; W198-Y201 HydrophobicContact CZ3-CG 4.26Å; W198-Y201 VanDerWaalsContact O-CB 3.22Å; W198-Y201 WeakPolarHBondContact O-CB 3.5Å; W198-Y201 PolarHBondContact O-N 2.93Å; Y201-N205 HydrophobicContact CD1-CB 4.42Å; Y201-N205 HydrophobicContact CD2-CB 3.81Å; Y201-N205 HydrophobicContact CE1-CB 4.06Å; Y201-N205 HydrophobicContact CE2-CB 3.39Å; Y201-N205 HydrophobicContact CG-CB 4.29Å; Y201-N205 PolarHBondContact OH-O 3.36Å; Y201-L206 HydrophobicContact CE1-CB 4.06Å; Y201-L206 PolarHBondContact OH-N 2.92Å
202T98.6Very high98.6Very high54 Ų5437.3 Ų37.333%0.33119%0.187SC..  trans-123.3164.9-177.2700000111.6W64 E200 W204 N205 L206W64-T202 VanDerWaalsContact CZ3-C 3.48Å; E200-T202 WeakPolarHBondContact O-CG2 3.32Å; T202-W204 PolarHBondContact O-N 2.76Å; T202-W204 PolarHBondContact OG1-N 3.08Å; T202-N205 PolarHBondContact N-OD1 2.96Å; T202-N205 PolarHBondContact O-N 3.13Å; T202-N205 VanDerWaalsContact O-N 3.12Å; T202-N205 PolarHBondContact OG1-N 2.95Å; T202-N205 PolarHBondContact OG1-OD1 3.16Å; T202-L206 PolarHBondContact O-N 3.49Å
203F98.6Very high98.6Very high1 Ų137.3 Ų37.30%0.00419%0.187CC..Hα-helixtrans-52.6-38.3169.4175.8-90000111.6L9 E13 W64 L68 N205 L206 F207L9-F203 HydrophobicContact CD1-CE2 4.15Å; L9-F203 HydrophobicContact CD1-CZ 4.49Å; L9-F203 HydrophobicContact CD2-CD2 3.89Å; L9-F203 HydrophobicContact CD2-CE2 3.67Å; E13-F203 HydrophobicContact CB-CD1 3.93Å; E13-F203 HydrophobicContact CB-CD2 4.45Å; E13-F203 HydrophobicContact CB-CE1 3.69Å; E13-F203 HydrophobicContact CB-CE2 4.25Å; E13-F203 HydrophobicContact CB-CG 4.3Å; E13-F203 HydrophobicContact CB-CZ 3.86Å; E13-F203 HydrophobicContact CG-CB 4.36Å; E13-F203 HydrophobicContact CG-CD1 3.5Å; E13-F203 HydrophobicContact CG-CD2 4.4Å; E13-F203 HydrophobicContact CG-CE1 3.8Å; E13-F203 HydrophobicContact CG-CG 3.83Å; E13-F203 HydrophobicContact CG-CZ 4.37Å; E13-F203 VanDerWaalsContact OE1-CB 3.28Å; E13-F203 WeakPolarHBondContact OE1-CB 3.26Å; W64-F203 HydrophobicContact CB-CD2 4.26Å; W64-F203 AromaticContact CD1-CD2 3.98Å; W64-F203 HydrophobicContact CD2-CB 4.2Å; W64-F203 HydrophobicContact CD2-CD2 4.45Å; W64-F203 HydrophobicContact CG-CD2 4.01Å; W64-F203 HydrophobicContact CZ2-CB 4.26Å; L68-F203 HydrophobicContact CD1-CE2 4.03Å; L68-F203 HydrophobicContact CD2-CE2 4.12Å; L68-F203 HydrophobicContact CD2-CZ 4.25Å; L68-F203 HydrophobicContact CG-CE2 4.25Å; F203-N205 VanDerWaalsContact C-N 3.31Å; F203-N205 PolarHBondContact O-N 2.84Å; F203-L206 WeakPolarHBondContact O-CB 3.49Å; F203-L206 PolarHBondContact O-N 2.74Å; F203-L206 VanDerWaalsContact O-N 3.14Å; F203-F207 HydrophobicContact CD1-CB 4.41Å; F203-F207 HydrophobicContact CE1-CB 4.14Å; F203-F207 HydrophobicContact CE1-CD2 4.29Å; F203-F207 WeakPolarHBondContact O-CB 3.41Å; F203-F207 PolarHBondContact O-N 3.49Å
204W98.7Very high98.6Very high119 Ų11935.6 Ų35.645%0.45118%0.18SC..Hα-helixtrans-67.3-30.7-178.8-56.1115.9000113.2W12 E13 C16 T202 F207 E208W12-W204 HydrophobicContact CB-CH2 4.13Å; W12-W204 HydrophobicContact CB-CZ2 4.33Å; E13-W204 HydrophobicContact CG-CH2 4.19Å; E13-W204 HydrophobicContact CG-CZ2 3.96Å; C16-W204 HydrophobicContact CB-CZ3 4.18Å; T202-W204 PolarHBondContact O-N 2.76Å; T202-W204 PolarHBondContact OG1-N 3.08Å; W204-F207 HydrophobicContact CE3-CB 4.49Å; W204-F207 HydrophobicContact CE3-CG 4.5Å; W204-F207 PolarHBondContact O-N 2.89Å; W204-E208 WeakPolarHBondContact O-CB 3.36Å; W204-E208 PolarHBondContact O-N 2.95Å
205N98.8Very high98.6Very high30 Ų3042.7 Ų42.716%0.1622%0.215CC..Hα-helixtrans-68.5-41.8171.6-57.6114.1000111.2Q194 Y201 T202 F203 F207 E208 A209Q194-N205 PolarHBondContact NE2-O 3.15Å; Y201-N205 HydrophobicContact CD1-CB 4.42Å; Y201-N205 HydrophobicContact CD2-CB 3.81Å; Y201-N205 HydrophobicContact CE1-CB 4.06Å; Y201-N205 HydrophobicContact CE2-CB 3.39Å; Y201-N205 HydrophobicContact CG-CB 4.29Å; Y201-N205 PolarHBondContact OH-O 3.36Å; T202-N205 PolarHBondContact N-OD1 2.96Å; T202-N205 PolarHBondContact O-N 3.13Å; T202-N205 VanDerWaalsContact O-N 3.12Å; T202-N205 PolarHBondContact OG1-N 2.95Å; T202-N205 PolarHBondContact OG1-OD1 3.16Å; F203-N205 VanDerWaalsContact C-N 3.31Å; F203-N205 PolarHBondContact O-N 2.84Å; N205-F207 VanDerWaalsContact C-N 3.35Å; N205-E208 PolarHBondContact O-N 3.19Å; N205-A209 PolarHBondContact O-N 2.93Å; N205-A209 VanDerWaalsContact O-N 3.07Å
206L98.8Very high98.6Very high0 Ų040.8 Ų40.80%020%0.199CC..Hα-helixtrans-62.1-44.1173.4-179.857.7000111.6I29 F31 W64 L68 I170 Y201 T202 F203 A209 I210I29-L206 HydrophobicContact CD1-CD1 3.92Å; F31-L206 HydrophobicContact CZ-CD1 3.97Å; W64-L206 HydrophobicContact CB-CD2 3.83Å; L68-L206 HydrophobicContact CD1-CD2 3.85Å; L68-L206 HydrophobicContact CD1-CG 4.3Å; I170-L206 HydrophobicContact CD1-CD1 4.21Å; Y201-L206 HydrophobicContact CE1-CB 4.06Å; Y201-L206 PolarHBondContact OH-N 2.92Å; T202-L206 PolarHBondContact O-N 3.49Å; F203-L206 WeakPolarHBondContact O-CB 3.49Å; F203-L206 PolarHBondContact O-N 2.74Å; F203-L206 VanDerWaalsContact O-N 3.14Å; L206-A209 WeakPolarHBondContact O-CB 3.4Å; L206-A209 PolarHBondContact O-N 2.94Å; L206-I210 HydrophobicContact CD1-CD1 4.29Å; L206-I210 HydrophobicContact CG-CD1 4.08Å; L206-I210 WeakPolarHBondContact O-CG1 3.18Å; L206-I210 PolarHBondContact O-N 3.34Å
207F98.7Very high98.5Very high34 Ų3441.9 Ų41.915%0.14920%0.202CC..Hα-helixtrans-59.6-46177.2179.8-94000112C16 I20 F203 W204 N205 A209 I210 L211C16-F207 HydrophobicContact CB-CD2 4.27Å; C16-F207 HydrophobicContact CB-CE2 3.64Å; C16-F207 HydrophobicContact CB-CZ 3.97Å; I20-F207 HydrophobicContact CB-CE2 4.24Å; I20-F207 HydrophobicContact CD1-CD2 3.59Å; I20-F207 HydrophobicContact CD1-CE2 3.67Å; I20-F207 HydrophobicContact CG1-CD2 4.31Å; I20-F207 HydrophobicContact CG1-CE2 3.89Å; I20-F207 HydrophobicContact CG2-CD2 4.29Å; I20-F207 HydrophobicContact CG2-CE2 3.36Å; I20-F207 HydrophobicContact CG2-CZ 3.63Å; F203-F207 HydrophobicContact CD1-CB 4.41Å; F203-F207 HydrophobicContact CE1-CB 4.14Å; F203-F207 HydrophobicContact CE1-CD2 4.29Å; F203-F207 WeakPolarHBondContact O-CB 3.41Å; F203-F207 PolarHBondContact O-N 3.49Å; W204-F207 HydrophobicContact CE3-CB 4.49Å; W204-F207 HydrophobicContact CE3-CG 4.5Å; W204-F207 PolarHBondContact O-N 2.89Å; N205-F207 VanDerWaalsContact C-N 3.35Å; F207-A209 VanDerWaalsContact C-N 3.32Å; F207-A209 PolarHBondContact O-N 3.31Å; F207-I210 PolarHBondContact O-N 2.74Å; F207-L211 HydrophobicContact CD1-CD1 3.94Å; F207-L211 HydrophobicContact CD1-CG 4.36Å; F207-L211 HydrophobicContact CE1-CD1 3.36Å; F207-L211 HydrophobicContact CE1-CG 3.94Å; F207-L211 HydrophobicContact CZ-CD1 3.99Å; F207-L211 HydrophobicContact CZ-CG 4.22Å; F207-L211 PolarHBondContact O-N 2.5Å
208E98.7Very high98.4Very high88 Ų8844.7 Ų44.741%0.41122%0.224SC..Hα-helixtrans-58-43.7174.2178.5-175-133.200111.7Q194 W204 N205 I210 L211 Q212Q194-E208 PolarHBondContact NE2-OE2 3.41Å; W204-E208 WeakPolarHBondContact O-CB 3.36Å; W204-E208 PolarHBondContact O-N 2.95Å; N205-E208 PolarHBondContact O-N 3.19Å; E208-I210 VanDerWaalsContact C-N 3.33Å; E208-I210 PolarHBondContact O-N 2.93Å; E208-L211 WeakPolarHBondContact O-CB 3.41Å; E208-L211 PolarHBondContact O-N 3.4Å; E208-Q212 PolarHBondContact O-N 2.9Å
209A98.7Very high98.4Very high0 Ų049.3 Ų49.30%025%0.252CS..Hα-helixtrans-63.1-39.6177.900000112.2I170 V192 N205 L206 F207 Q212 F213I170-A209 HydrophobicContact CD1-CB 3.41Å; I170-A209 VanDerWaalsContact CD1-CB 3.41Å; I170-A209 HydrophobicContact CG1-CB 3.92Å; V192-A209 HydrophobicContact CB-CB 4.33Å; V192-A209 HydrophobicContact CG1-CB 3.92Å; V192-A209 HydrophobicContact CG2-CB 4.24Å; N205-A209 PolarHBondContact O-N 2.93Å; N205-A209 VanDerWaalsContact O-N 3.07Å; L206-A209 WeakPolarHBondContact O-CB 3.4Å; L206-A209 PolarHBondContact O-N 2.94Å; F207-A209 VanDerWaalsContact C-N 3.32Å; F207-A209 PolarHBondContact O-N 3.31Å; A209-Q212 PolarHBondContact O-N 2.69Å; A209-F213 PolarHBondContact O-N 2.99Å
210I98.8Very high98.3Very high0 Ų050.2 Ų50.20%026%0.256CS..Hα-helixtrans-66.6-40175.4-63.8163.8000110.9I20 M25 P26 I29 L68 I70 I168 L206 F207 E208 Q212 F213 Q214I20-I210 HydrophobicContact CD1-CB 4.39Å; I20-I210 HydrophobicContact CD1-CD1 4.29Å; I20-I210 HydrophobicContact CD1-CG2 3.94Å; M25-I210 HydrophobicContact CE-CD1 4.36Å; M25-I210 HydrophobicContact CE-CG2 4.25Å; M25-I210 HydrophobicContact SD-CG2 3.98Å; P26-I210 HydrophobicContact CG-CG1 4.2Å; I29-I210 HydrophobicContact CD1-CG1 4.4Å; L68-I210 HydrophobicContact CD1-CD1 3.7Å; I70-I210 HydrophobicContact CD1-CD1 3.83Å; I168-I210 HydrophobicContact CD1-CG1 4.32Å; L206-I210 HydrophobicContact CD1-CD1 4.29Å; L206-I210 HydrophobicContact CG-CD1 4.08Å; L206-I210 WeakPolarHBondContact O-CG1 3.18Å; L206-I210 PolarHBondContact O-N 3.34Å; F207-I210 PolarHBondContact O-N 2.74Å; E208-I210 VanDerWaalsContact C-N 3.33Å; E208-I210 PolarHBondContact O-N 2.93Å; I210-Q212 VanDerWaalsContact C-N 3.35Å; I210-Q212 PolarHBondContact O-N 3.38Å; I210-F213 WeakPolarHBondContact O-CB 3.09Å; I210-F213 PolarHBondContact O-N 3.39Å; I210-Q214 WeakPolarHBondContact O-CG 3.37Å; I210-Q214 PolarHBondContact O-N 2.85Å
211L98.6Very high98.2Very high66 Ų6650.3 Ų50.335%0.34626%0.257SS..Hα-helixtrans-60.4-43.9173.5-80.5-179.5000111.8I20 F207 E208 F213 Q214 M215I20-L211 HydrophobicContact CG2-CD2 3.76Å; I20-L211 HydrophobicContact CG2-CG 4.37Å; F207-L211 HydrophobicContact CD1-CD1 3.94Å; F207-L211 HydrophobicContact CD1-CG 4.36Å; F207-L211 HydrophobicContact CE1-CD1 3.36Å; F207-L211 HydrophobicContact CE1-CG 3.94Å; F207-L211 HydrophobicContact CZ-CD1 3.99Å; F207-L211 HydrophobicContact CZ-CG 4.22Å; F207-L211 PolarHBondContact O-N 2.5Å; E208-L211 WeakPolarHBondContact O-CB 3.41Å; E208-L211 PolarHBondContact O-N 3.4Å; L211-F213 VanDerWaalsContact C-N 3.29Å; L211-F213 PolarHBondContact O-N 2.9Å; L211-Q214 PolarHBondContact O-N 3.14Å; L211-Q214 VanDerWaalsContact O-N 3.15Å; L211-M215 VanDerWaalsContact O-CG 3.32Å; L211-M215 WeakPolarHBondContact O-CG 3.48Å; L211-M215 PolarHBondContact O-N 3.35Å
212Q98.4Very high98.1Very high75 Ų7557 Ų5735%0.3529%0.286SS..Hα-helixtrans-60.2-40.6175.3-71.3-146.126.700112.2V192 E208 A209 I210 M215 N216V192-Q212 HydrophobicContact CG2-CB 4.09Å; E208-Q212 PolarHBondContact O-N 2.9Å; A209-Q212 PolarHBondContact O-N 2.69Å; I210-Q212 VanDerWaalsContact C-N 3.35Å; I210-Q212 PolarHBondContact O-N 3.38Å; Q212-M215 PolarHBondContact O-N 3.11Å; Q212-N216 PolarHBondContact O-N 3.23Å; Q212-N216 VanDerWaalsContact O-N 3.11Å; Q212-N216 PolarHBondContact O-ND2 3.22Å
213F98.6Very high97.9Very high2 Ų256.4 Ų56.41%0.00929%0.286CS..Hα-helixtrans-59.9-47172.8165.4-98.1000112P24 P26 D167 I168 C190 A209 I210 L211 M215 N216 H217P24-F213 HydrophobicContact CB-CE1 4.34Å; P26-F213 HydrophobicContact CB-CD1 4.37Å; P26-F213 HydrophobicContact CB-CE1 4.29Å; P26-F213 HydrophobicContact CB-CZ 4.47Å; D167-F213 HydrophobicContact CB-CD2 4.15Å; D167-F213 HydrophobicContact CB-CE2 3.67Å; D167-F213 HydrophobicContact CB-CZ 4.19Å; I168-F213 HydrophobicContact CD1-CB 3.4Å; I168-F213 VanDerWaalsContact CD1-CB 3.4Å; I168-F213 HydrophobicContact CD1-CD2 4.42Å; I168-F213 HydrophobicContact CD1-CG 3.89Å; I168-F213 HydrophobicContact CG1-CB 3.73Å; I168-F213 HydrophobicContact CG1-CD2 3.95Å; I168-F213 HydrophobicContact CG1-CG 3.94Å; C190-F213 HydrophobicContact CB-CB 4.26Å; C190-F213 HydrophobicContact CB-CD2 4.18Å; A209-F213 PolarHBondContact O-N 2.99Å; I210-F213 WeakPolarHBondContact O-CB 3.09Å; I210-F213 PolarHBondContact O-N 3.39Å; L211-F213 VanDerWaalsContact C-N 3.29Å; L211-F213 PolarHBondContact O-N 2.9Å; F213-M215 VanDerWaalsContact C-N 3.32Å; F213-M215 PolarHBondContact O-N 3.26Å; F213-N216 CarbonylContact O-C 3.44Å; F213-N216 PolarHBondContact O-N 2.97Å; F213-N216 VanDerWaalsContact O-N 3.12Å; F213-H217 AromaticContact CE1-ND1 3.92Å; F213-H217 AromaticContact CE2-ND1 3.97Å; F213-H217 AromaticContact CZ-ND1 3.39Å; F213-H217 WeakPolarHBondContact CZ-ND1 3.15Å; F213-H217 WeakPolarHBondContact O-CA 3.41Å; F213-H217 WeakPolarHBondContact O-CB 3.43Å; F213-H217 PolarHBondContact O-N 3.02Å
214Q98.4Very high97.6Very high39 Ų3958.9 Ų58.918%0.18230%0.295CS..Hα-helixtrans-60.9-41.2179.3-72.8-171.2-21.900112.3I20 P24 I210 L211 N216 H217I20-Q214 PolarHBondContact O-NE2 3.48Å; P24-Q214 HydrophobicContact CG-CG 4.25Å; P24-Q214 WeakPolarHBondContact O-CG 3.04Å; P24-Q214 PolarHBondContact O-NE2 3.47Å; I210-Q214 WeakPolarHBondContact O-CG 3.37Å; I210-Q214 PolarHBondContact O-N 2.85Å; L211-Q214 PolarHBondContact O-N 3.14Å; L211-Q214 VanDerWaalsContact O-N 3.15Å; Q214-N216 VanDerWaalsContact C-N 3.28Å; Q214-N216 PolarHBondContact O-N 3.4Å; Q214-H217 WeakPolarHBondContact O-CB 3.46Å; Q214-H217 PolarHBondContact O-N 3.23Å
215M98.2Very high97.5Very high152 Ų15256.9 Ų56.975%0.74929%0.293SS*.Hα-helixtrans-63.2-33.9176.1-68.9179.273.600112.7L211 Q212 F213L211-M215 VanDerWaalsContact O-CG 3.32Å; L211-M215 WeakPolarHBondContact O-CG 3.48Å; L211-M215 PolarHBondContact O-N 3.35Å; Q212-M215 PolarHBondContact O-N 3.11Å; F213-M215 VanDerWaalsContact C-N 3.32Å; F213-M215 PolarHBondContact O-N 3.26Å
216N98Very high97.3Very high69 Ų6960.7 Ų60.737%0.36931%0.312SS..Hα-helixtrans-93.5-7.5-179.5-73.3-82.2000113.8Q212 F213 Q214 S218 V219 L220Q212-N216 PolarHBondContact O-N 3.23Å; Q212-N216 VanDerWaalsContact O-N 3.11Å; Q212-N216 PolarHBondContact O-ND2 3.22Å; F213-N216 CarbonylContact O-C 3.44Å; F213-N216 PolarHBondContact O-N 2.97Å; F213-N216 VanDerWaalsContact O-N 3.12Å; Q214-N216 VanDerWaalsContact C-N 3.28Å; Q214-N216 PolarHBondContact O-N 3.4Å; N216-S218 PolarHBondContact O-N 3.37Å; N216-V219 PolarHBondContact O-N 3.14Å; N216-L220 HydrophobicContact CB-CD1 3.82Å; N216-L220 HydrophobicContact CB-CG 4.22Å; N216-L220 WeakPolarHBondContact O-CB 3.41Å; N216-L220 WeakPolarHBondContact O-CG 3.49Å; N216-L220 PolarHBondContact O-N 2.91Å
217H97.7Very high96.9Very high52 Ų5266.3 Ų66.324%0.24133%0.334CS..Hα-helixtrans-57.3-47.6-166178.876.5000113P24 F213 Q214 V219 L220 Q221P24-H217 HydrophobicContact CG-CB 3.86Å; F213-H217 AromaticContact CE1-ND1 3.92Å; F213-H217 AromaticContact CE2-ND1 3.97Å; F213-H217 AromaticContact CZ-ND1 3.39Å; F213-H217 WeakPolarHBondContact CZ-ND1 3.15Å; F213-H217 WeakPolarHBondContact O-CA 3.41Å; F213-H217 WeakPolarHBondContact O-CB 3.43Å; F213-H217 PolarHBondContact O-N 3.02Å; Q214-H217 WeakPolarHBondContact O-CB 3.46Å; Q214-H217 PolarHBondContact O-N 3.23Å; H217-V219 PolarHBondContact O-N 3.04Å; H217-L220 PolarHBondContact O-N 3.28Å; H217-Q221 WeakPolarHBondContact O-CB 3.37Å; H217-Q221 PolarHBondContact O-N 3.16Å
218S96.9Very high96.5Very high83 Ų8366.7 Ų66.758%0.5834%0.343SS*.Hα-helixtrans-64.1-42.3-176.757.60000112.6N216 K222N216-S218 PolarHBondContact O-N 3.37Å; S218-K222 WeakPolarHBondContact O-CB 3.48Å; S218-K222 PolarHBondContact O-N 2.99Å
219V97.6Very high96.3Very high100 Ų10068.9 Ų68.961%0.60635%0.353SS*.Hα-helixtrans-69.9-46.5179.7179.90000110.5N216 H217 Q221 K222 A223N216-V219 PolarHBondContact O-N 3.14Å; H217-V219 PolarHBondContact O-N 3.04Å; V219-Q221 VanDerWaalsContact C-N 3.34Å; V219-Q221 PolarHBondContact O-N 3.33Å; V219-K222 PolarHBondContact O-N 3.26Å; V219-A223 WeakPolarHBondContact O-CB 3.47Å; V219-A223 PolarHBondContact O-N 2.9Å
220L96.4Very high95.9Very high30 Ų3071.8 Ų71.816%0.15737%0.367CS..Hα-helixtrans-62.1-42.7176.9-75.9174.5000111.5C190 N216 H217 A223 R224C190-L220 HydrophobicContact CB-CD1 3.82Å; N216-L220 HydrophobicContact CB-CD1 3.82Å; N216-L220 HydrophobicContact CB-CG 4.22Å; N216-L220 WeakPolarHBondContact O-CB 3.41Å; N216-L220 WeakPolarHBondContact O-CG 3.49Å; N216-L220 PolarHBondContact O-N 2.91Å; H217-L220 PolarHBondContact O-N 3.28Å; L220-A223 PolarHBondContact O-N 2.87Å; L220-R224 WeakPolarHBondContact O-CB 3.44Å; L220-R224 VanDerWaalsContact O-CG 3.32Å; L220-R224 WeakPolarHBondContact O-CG 3.42Å; L220-R224 PolarHBondContact O-N 3.17Å
221Q95.4Very high95.3Very high63 Ų6376.9 Ų76.929%0.29439%0.386SS..Hα-helixtrans-61.7-49.3178.2-173.457.135.400111.2H217 V219 A223 R224 D225H217-Q221 WeakPolarHBondContact O-CB 3.37Å; H217-Q221 PolarHBondContact O-N 3.16Å; V219-Q221 VanDerWaalsContact C-N 3.34Å; V219-Q221 PolarHBondContact O-N 3.33Å; Q221-A223 VanDerWaalsContact C-N 3.31Å; Q221-A223 PolarHBondContact O-N 3.13Å; Q221-R224 WeakPolarHBondContact O-CB 3.46Å; Q221-R224 PolarHBondContact O-N 3.02Å; Q221-R224 VanDerWaalsContact O-N 3.16Å; Q221-D225 PolarHBondContact NE2-OD1 3.02Å; Q221-D225 PolarHBondContact NE2-OD2 3.01Å; Q221-D225 VanDerWaalsContact NE2-OD2 3.08Å; Q221-D225 VanDerWaalsContact O-CG 3.26Å; Q221-D225 PolarHBondContact O-N 2.8Å
222K96.6Very high94.8Very high141 Ų14181.3 Ų81.361%0.61340%0.402SS*.Hα-helixtrans-58.8-42.5176.4-175.2177.4179.1179.50112.2S218 V219 D225 M226S218-K222 WeakPolarHBondContact O-CB 3.48Å; S218-K222 PolarHBondContact O-N 2.99Å; V219-K222 PolarHBondContact O-N 3.26Å; K222-D225 PolarHBondContact O-N 2.79Å; K222-M226 HydrophobicContact CG-CG 4.4Å; K222-M226 HydrophobicContact CG-SD 3.97Å; K222-M226 WeakPolarHBondContact O-CB 3.27Å; K222-M226 VanDerWaalsContact O-CG 3.23Å; K222-M226 WeakPolarHBondContact O-CG 3.38Å; K222-M226 PolarHBondContact O-N 3.37Å
223A95Very high94.4Very high40 Ų4084.1 Ų84.133%0.33141%0.41SS..Hα-helixtrans-63.3-42.217700000112.1V219 L220 Q221 Y227V219-A223 WeakPolarHBondContact O-CB 3.47Å; V219-A223 PolarHBondContact O-N 2.9Å; L220-A223 PolarHBondContact O-N 2.87Å; Q221-A223 VanDerWaalsContact C-N 3.31Å; Q221-A223 PolarHBondContact O-N 3.13Å; A223-Y227 WeakPolarHBondContact O-CB 3.39Å; A223-Y227 PolarHBondContact O-N 3.48Å
224R93.7Very high93.6Very high53 Ų5386.5 Ų86.520%0.242%0.421CS..Hα-helixtrans-61.6-45.4175.4-74.6-174-65.6-15211.5111.8D167 H188 L220 Q221 Y227 A228D167-R224 IonicContact OD1-NH1 2.97Å; H188-R224 HydrophobicContact CB-CG 3.59Å; L220-R224 WeakPolarHBondContact O-CB 3.44Å; L220-R224 VanDerWaalsContact O-CG 3.32Å; L220-R224 WeakPolarHBondContact O-CG 3.42Å; L220-R224 PolarHBondContact O-N 3.17Å; Q221-R224 WeakPolarHBondContact O-CB 3.46Å; Q221-R224 PolarHBondContact O-N 3.02Å; Q221-R224 VanDerWaalsContact O-N 3.16Å; R224-Y227 PolarHBondContact O-N 3.35Å; R224-A228 WeakPolarHBondContact O-CB 3.5Å; R224-A228 PolarHBondContact O-N 2.92Å
225D94.6Very high92.9Very high77 Ų7787.9 Ų87.941%0.41243%0.428SS..Hα-helixtrans-66.1-46.8-179.4-64.4-26.1000111Q221 K222 Y227 A228 E229Q221-D225 PolarHBondContact NE2-OD1 3.02Å; Q221-D225 PolarHBondContact NE2-OD2 3.01Å; Q221-D225 VanDerWaalsContact NE2-OD2 3.08Å; Q221-D225 VanDerWaalsContact O-CG 3.26Å; Q221-D225 PolarHBondContact O-N 2.8Å; K222-D225 PolarHBondContact O-N 2.79Å; D225-Y227 VanDerWaalsContact C-N 3.34Å; D225-Y227 PolarHBondContact O-N 3.36Å; D225-A228 PolarHBondContact O-N 3.14Å; D225-E229 WeakPolarHBondContact O-CG 3.37Å; D225-E229 PolarHBondContact O-N 3.06Å
226M95.3Very high92.3Very high111 Ų11184.5 Ų84.555%0.54741%0.412SS..Hα-helixtrans-58.8-43.8175.2-74176.862.500112.2K222 E229 E230K222-M226 HydrophobicContact CG-CG 4.4Å; K222-M226 HydrophobicContact CG-SD 3.97Å; K222-M226 WeakPolarHBondContact O-CB 3.27Å; K222-M226 VanDerWaalsContact O-CG 3.23Å; K222-M226 WeakPolarHBondContact O-CG 3.38Å; K222-M226 PolarHBondContact O-N 3.37Å; M226-E229 PolarHBondContact O-N 3.33Å; M226-E230 VanDerWaalsContact O-CB 3.32Å; M226-E230 WeakPolarHBondContact O-CB 3.45Å; M226-E230 PolarHBondContact O-N 3.39Å
227Y91.4Very high91.8Very high118 Ų11886 Ų8646%0.46342%0.417SS..Hα-helixtrans-62.8-45.1176.3179.1-95.8000111.3A223 R224 D225 E229 E230 R231A223-Y227 WeakPolarHBondContact O-CB 3.39Å; A223-Y227 PolarHBondContact O-N 3.48Å; R224-Y227 PolarHBondContact O-N 3.35Å; D225-Y227 VanDerWaalsContact C-N 3.34Å; D225-Y227 PolarHBondContact O-N 3.36Å; Y227-E229 PolarHBondContact O-N 2.92Å; Y227-E230 PolarHBondContact O-N 3.18Å; Y227-R231 HydrophobicContact CD1-CG 4.1Å; Y227-R231 HydrophobicContact CE1-CG 3.7Å; Y227-R231 HydrophobicContact CE2-CG 4.15Å; Y227-R231 HydrophobicContact CG-CG 4.5Å; Y227-R231 WeakPolarHBondContact O-CB 3.3Å; Y227-R231 VanDerWaalsContact O-CG 3.26Å; Y227-R231 WeakPolarHBondContact O-CG 3.45Å; Y227-R231 PolarHBondContact O-N 3.37Å
228A89.6Confident90.8Very high42 Ų4288.8 Ų88.835%0.34743%0.425SS..Hα-helixtrans-62.8-42.9178.800000112.4R224 D225 R231 K232R224-A228 WeakPolarHBondContact O-CB 3.5Å; R224-A228 PolarHBondContact O-N 2.92Å; D225-A228 PolarHBondContact O-N 3.14Å; A228-R231 PolarHBondContact O-N 3.41Å; A228-K232 WeakPolarHBondContact O-CG 3.34Å; A228-K232 PolarHBondContact O-N 2.96Å
229E93.8Very high90.1Very high134 Ų13485.5 Ų85.563%0.62640%0.401SS*.Hα-helixtrans-61.8-46.8175-74.5179.4175.900111.7D225 M226 Y227 R231 K232 R233D225-E229 WeakPolarHBondContact O-CG 3.37Å; D225-E229 PolarHBondContact O-N 3.06Å; M226-E229 PolarHBondContact O-N 3.33Å; Y227-E229 PolarHBondContact O-N 2.92Å; E229-R231 VanDerWaalsContact C-N 3.33Å; E229-R231 PolarHBondContact O-N 3.49Å; E229-K232 PolarHBondContact O-N 2.95Å; E229-R233 WeakPolarHBondContact O-CB 3.41Å; E229-R233 PolarHBondContact O-N 3.09Å
230E91.7Very high89.6Confident60 Ų6085.3 Ų85.328%0.2839%0.394SS..Hα-helixtrans-60.2-43.2178-17956.3-150.700111.7M226 Y227 R233 Q234M226-E230 VanDerWaalsContact O-CB 3.32Å; M226-E230 WeakPolarHBondContact O-CB 3.45Å; M226-E230 PolarHBondContact O-N 3.39Å; Y227-E230 PolarHBondContact O-N 3.18Å; E230-R233 PolarHBondContact O-N 3.42Å; E230-R233 IonicContact OE1-CZ 2.83Å; E230-R233 IonicContact OE1-NE 3.28Å; E230-R233 IonicContact OE1-NH2 2.81Å; E230-R233 PolarHBondContact OE1-NH2 3.19Å; E230-R233 IonicContact OE2-CZ 2.73Å; E230-R233 IonicContact OE2-NE 3.06Å; E230-R233 PolarHBondContact OE2-NE 3.12Å; E230-R233 VanDerWaalsContact OE2-NE 3.13Å; E230-R233 IonicContact OE2-NH1 3.47Å; E230-R233 IonicContact OE2-NH2 3.85Å; E230-R233 PolarHBondContact OE2-NH2 3.49Å; E230-Q234 WeakPolarHBondContact O-CG 3.49Å; E230-Q234 PolarHBondContact O-N 2.95Å; E230-Q234 WeakPolarHBondContact OE1-CG 3.28Å; E230-Q234 PolarHBondContact OE1-NE2 3.04Å
231R84.9Confident88.9Confident108 Ų10886.8 Ų86.841%0.40841%0.41SS..Hα-helixtrans-64.2-40.9176.8-69.8-55.3-59.6-174.9-11.2112.4Y227 A228 E229 Q235Y227-R231 HydrophobicContact CD1-CG 4.1Å; Y227-R231 HydrophobicContact CE1-CG 3.7Å; Y227-R231 HydrophobicContact CE2-CG 4.15Å; Y227-R231 HydrophobicContact CG-CG 4.5Å; Y227-R231 WeakPolarHBondContact O-CB 3.3Å; Y227-R231 VanDerWaalsContact O-CG 3.26Å; Y227-R231 WeakPolarHBondContact O-CG 3.45Å; Y227-R231 PolarHBondContact O-N 3.37Å; A228-R231 PolarHBondContact O-N 3.41Å; E229-R231 VanDerWaalsContact C-N 3.33Å; E229-R231 PolarHBondContact O-N 3.49Å; R231-Q235 WeakPolarHBondContact O-CB 3.48Å; R231-Q235 PolarHBondContact O-N 3.33Å
232K87.9Confident88.2Confident158 Ų15886.3 Ų86.369%0.68741%0.412SS*.Hα-helixtrans-63-43.4174.5-73.9173.8-178.2178.20111.2A228 E229 Q235 L236A228-K232 WeakPolarHBondContact O-CG 3.34Å; A228-K232 PolarHBondContact O-N 2.96Å; E229-K232 PolarHBondContact O-N 2.95Å; K232-Q235 PolarHBondContact O-N 3.02Å; K232-L236 PolarHBondContact O-N 3.46Å
233R90.6Very high87.6Confident135 Ų13579.8 Ų79.851%0.50938%0.384SS..Hα-helixtrans-59.1-52.9176.5-174.7-178.671.6164.77111.6E229 E230 Q235 L236 E237E229-R233 WeakPolarHBondContact O-CB 3.41Å; E229-R233 PolarHBondContact O-N 3.09Å; E230-R233 PolarHBondContact O-N 3.42Å; E230-R233 IonicContact OE1-CZ 2.83Å; E230-R233 IonicContact OE1-NE 3.28Å; E230-R233 IonicContact OE1-NH2 2.81Å; E230-R233 PolarHBondContact OE1-NH2 3.19Å; E230-R233 IonicContact OE2-CZ 2.73Å; E230-R233 IonicContact OE2-NE 3.06Å; E230-R233 PolarHBondContact OE2-NE 3.12Å; E230-R233 VanDerWaalsContact OE2-NE 3.13Å; E230-R233 IonicContact OE2-NH1 3.47Å; E230-R233 IonicContact OE2-NH2 3.85Å; E230-R233 PolarHBondContact OE2-NH2 3.49Å; R233-Q235 VanDerWaalsContact C-N 3.28Å; R233-Q235 PolarHBondContact O-N 3.42Å; R233-L236 WeakPolarHBondContact O-CB 3.44Å; R233-L236 PolarHBondContact O-N 3.26Å; R233-L236 VanDerWaalsContact O-N 3.15Å; R233-E237 WeakPolarHBondContact O-CG 3.28Å; R233-E237 PolarHBondContact O-N 3.31Å
234Q82.4Confident87.2Confident51 Ų5180.1 Ų80.124%0.23838%0.381CS..Hα-helixtrans-60.9-36.6178.5-70.4178.211.600112.6E230 R238E230-Q234 WeakPolarHBondContact O-CG 3.49Å; E230-Q234 PolarHBondContact O-N 2.95Å; E230-Q234 WeakPolarHBondContact OE1-CG 3.28Å; E230-Q234 PolarHBondContact OE1-NE2 3.04Å; Q234-R238 VanDerWaalsContact O-CG 3.28Å; Q234-R238 WeakPolarHBondContact O-CG 3.49Å; Q234-R238 PolarHBondContact O-N 2.88Å; Q234-R238 VanDerWaalsContact O-N 3.1Å
235Q83.1Confident86.6Confident69 Ų6982.3 Ų82.332%0.32239%0.394SS..Hα-helixtrans-66-43.7176.3-173.458.949.300111.4R231 K232 R233 R238 D239 R272R231-Q235 WeakPolarHBondContact O-CB 3.48Å; R231-Q235 PolarHBondContact O-N 3.33Å; K232-Q235 PolarHBondContact O-N 3.02Å; R233-Q235 VanDerWaalsContact C-N 3.28Å; R233-Q235 PolarHBondContact O-N 3.42Å; Q235-R238 PolarHBondContact O-N 2.89Å; Q235-D239 PolarHBondContact NE2-OD1 3.48Å; Q235-D239 WeakPolarHBondContact O-CB 2.91Å; Q235-D239 VanDerWaalsContact O-CG 3.22Å; Q235-D239 PolarHBondContact O-N 3.15Å; Q235-R272 VanDerWaalsContact NE2-NH1 3.15Å
236L86.4Confident85.9Confident80 Ų8082.2 Ų82.242%0.41939%0.391SS..Hα-helixtrans-61.9-45176.8178.661.6000111.6K232 R233 R238 D239 Q240 L265K232-L236 PolarHBondContact O-N 3.46Å; R233-L236 WeakPolarHBondContact O-CB 3.44Å; R233-L236 PolarHBondContact O-N 3.26Å; R233-L236 VanDerWaalsContact O-N 3.15Å; L236-R238 PolarHBondContact O-N 3.3Å; L236-D239 PolarHBondContact O-N 3.32Å; L236-Q240 HydrophobicContact CD1-CG 4.29Å; L236-Q240 WeakPolarHBondContact O-CB 3.4Å; L236-Q240 VanDerWaalsContact O-CG 3.3Å; L236-Q240 WeakPolarHBondContact O-CG 3.39Å; L236-Q240 PolarHBondContact O-N 3.12Å; L236-L265 HydrophobicContact CD1-CD2 3.76Å
237E87.1Confident85.5Confident100 Ų10077.1 Ų77.147%0.46737%0.366SS..Hα-helixtrans-59.3-44.1176.9-73.1171.5-18000111.9R233 Q240 A241R233-E237 WeakPolarHBondContact O-CG 3.28Å; R233-E237 PolarHBondContact O-N 3.31Å; E237-Q240 PolarHBondContact O-N 3.21Å; E237-A241 WeakPolarHBondContact O-CB 3.15Å; E237-A241 PolarHBondContact O-N 3.41Å
238R75.4Confident85.1Confident111 Ų11176.9 Ų76.942%0.41937%0.372SS..Hα-helixtrans-63.3-42.5175.4-72174.3-166.8136.111.5112.5Q234 Q235 L236 Q240 A241 T242Q234-R238 VanDerWaalsContact O-CG 3.28Å; Q234-R238 WeakPolarHBondContact O-CG 3.49Å; Q234-R238 PolarHBondContact O-N 2.88Å; Q234-R238 VanDerWaalsContact O-N 3.1Å; Q235-R238 PolarHBondContact O-N 2.89Å; L236-R238 PolarHBondContact O-N 3.3Å; R238-Q240 VanDerWaalsContact C-N 3.35Å; R238-A241 PolarHBondContact O-N 3.02Å; R238-T242 WeakPolarHBondContact O-CB 3.14Å; R238-T242 PolarHBondContact O-N 3.44Å; R238-T242 PolarHBondContact O-OG1 2.95Å
239D83.3Confident84.9Confident15 Ų1584 Ų848%0.0839%0.39CS..Hα-helixtrans-65.6-40.9179-70.1-10.4000110.6Q235 L236 T242 V243 L265 L268 R272Q235-D239 PolarHBondContact NE2-OD1 3.48Å; Q235-D239 WeakPolarHBondContact O-CB 2.91Å; Q235-D239 VanDerWaalsContact O-CG 3.22Å; Q235-D239 PolarHBondContact O-N 3.15Å; L236-D239 PolarHBondContact O-N 3.32Å; D239-T242 PolarHBondContact O-N 2.99Å; D239-V243 WeakPolarHBondContact O-CG2 3.35Å; D239-V243 PolarHBondContact O-N 3.32Å; D239-L265 HydrophobicContact CB-CD1 3.45Å; D239-L265 VanDerWaalsContact CB-CD1 3.45Å; D239-L268 HydrophobicContact CB-CD2 4.12Å; D239-R272 VanDerWaalsContact CG-NH1 3.26Å; D239-R272 IonicContact OD1-CZ 2.75Å; D239-R272 IonicContact OD1-NH1 3.65Å; D239-R272 PolarHBondContact OD1-NH1 3.34Å; D239-R272 IonicContact OD1-NH2 3.53Å; D239-R272 IonicContact OD2-CZ 2.92Å; D239-R272 IonicContact OD2-NH1 4Å; D239-R272 PolarHBondContact OD2-NH1 3.01Å; D239-R272 IonicContact OD2-NH2 3.46Å; D239-R272 PolarHBondContact OD2-NH2 3.1Å
240Q86.6Confident84.5Confident96 Ų9682.1 Ų82.145%0.44938%0.381SS..Hα-helixtrans-63.7-43174.1-73.4178.9-0.200112.6L236 E237 R238 T242 V243 T244 L265L236-Q240 HydrophobicContact CD1-CG 4.29Å; L236-Q240 WeakPolarHBondContact O-CB 3.4Å; L236-Q240 VanDerWaalsContact O-CG 3.3Å; L236-Q240 WeakPolarHBondContact O-CG 3.39Å; L236-Q240 PolarHBondContact O-N 3.12Å; E237-Q240 PolarHBondContact O-N 3.21Å; R238-Q240 VanDerWaalsContact C-N 3.35Å; Q240-T242 VanDerWaalsContact C-N 3.34Å; Q240-V243 PolarHBondContact O-N 2.97Å; Q240-T244 WeakPolarHBondContact O-CB 3.36Å; Q240-T244 PolarHBondContact O-N 2.82Å; Q240-T244 PolarHBondContact O-OG1 3.45Å; Q240-L265 HydrophobicContact CG-CD1 4.37Å; Q240-L265 HydrophobicContact CG-CD2 4.38Å
241A82.1Confident84Confident60 Ų6082.5 Ų82.550%0.49640%0.401SS..Hα-helixtrans-60.9-44.1175.600000111.3E237 R238 V243 T244 E245E237-A241 WeakPolarHBondContact O-CB 3.15Å; E237-A241 PolarHBondContact O-N 3.41Å; R238-A241 PolarHBondContact O-N 3.02Å; A241-V243 PolarHBondContact O-N 3.39Å; A241-T244 WeakPolarHBondContact O-CB 3.46Å; A241-T244 PolarHBondContact O-N 3.38Å; A241-E245 PolarHBondContact O-N 2.96Å
242T80Confident83.6Confident54 Ų5481 Ų8133%0.33140%0.401SS..Hα-helixtrans-59.4-46.9176.9-56.60000111.8R238 D239 Q240 T244 E245 Q246 L268R238-T242 WeakPolarHBondContact O-CB 3.14Å; R238-T242 PolarHBondContact O-N 3.44Å; R238-T242 PolarHBondContact O-OG1 2.95Å; D239-T242 PolarHBondContact O-N 2.99Å; Q240-T242 VanDerWaalsContact C-N 3.34Å; T242-T244 VanDerWaalsContact C-N 3.33Å; T242-T244 PolarHBondContact O-N 2.92Å; T242-E245 PolarHBondContact O-N 2.91Å; T242-Q246 WeakPolarHBondContact O-CG 3.44Å; T242-Q246 PolarHBondContact O-N 3.37Å; T242-Q246 VanDerWaalsContact O-N 3.09Å; T242-L268 HydrophobicContact CG2-CD2 4.31Å
243V85.7Confident82.6Confident4 Ų480.8 Ų80.82%0.02440%0.402CS..Hα-helixtrans-63.9-40.7177.5170.10000111.1D239 Q240 A241 Q246 L247 R264 L265 L268D239-V243 WeakPolarHBondContact O-CG2 3.35Å; D239-V243 PolarHBondContact O-N 3.32Å; Q240-V243 PolarHBondContact O-N 2.97Å; A241-V243 PolarHBondContact O-N 3.39Å; V243-Q246 PolarHBondContact O-N 2.91Å; V243-L247 HydrophobicContact CG1-CD1 4Å; V243-L247 HydrophobicContact CG1-CG 4.4Å; V243-L247 WeakPolarHBondContact O-CG 3.38Å; V243-L247 PolarHBondContact O-N 3.32Å; V243-R264 HydrophobicContact CG1-CB 3.64Å; V243-R264 HydrophobicContact CG1-CG 4.47Å; V243-R264 HydrophobicContact CG2-CB 4.22Å; V243-L265 HydrophobicContact CG2-CB 4.46Å; V243-L265 HydrophobicContact CG2-CD1 4.29Å; V243-L268 HydrophobicContact CG2-CD2 4.18Å
244T85.4Confident81Confident46 Ų4675.3 Ų75.328%0.28239%0.386SS..Hα-helixtrans-62.4-44.9179.2-590000111.2Q240 A241 T242 Q246 L247 L248 A254Q240-T244 WeakPolarHBondContact O-CB 3.36Å; Q240-T244 PolarHBondContact O-N 2.82Å; Q240-T244 PolarHBondContact O-OG1 3.45Å; A241-T244 WeakPolarHBondContact O-CB 3.46Å; A241-T244 PolarHBondContact O-N 3.38Å; T242-T244 VanDerWaalsContact C-N 3.33Å; T242-T244 PolarHBondContact O-N 2.92Å; T244-Q246 PolarHBondContact O-N 3.39Å; T244-L247 PolarHBondContact O-N 2.87Å; T244-L248 HydrophobicContact CG2-CD1 4.12Å; T244-L248 WeakPolarHBondContact O-CG 3.27Å; T244-L248 PolarHBondContact O-N 2.84Å; T244-A254 HydrophobicContact CG2-CB 3.87Å
245E80.6Confident79.9Confident99 Ų9977.1 Ų77.146%0.46340%0.404SS..Hα-helixtrans-62.3-41.6176.4-169.6-176.3177.700112.1A241 T242 L248 R249A241-E245 PolarHBondContact O-N 2.96Å; T242-E245 PolarHBondContact O-N 2.91Å; E245-L248 PolarHBondContact O-N 3.17Å; E245-R249 WeakPolarHBondContact O-CG 3.47Å; E245-R249 PolarHBondContact O-N 3.24Å; E245-R249 IonicContact OE1-CZ 2.97Å; E245-R249 IonicContact OE1-NE 3.34Å; E245-R249 IonicContact OE1-NH2 4Å; E245-R249 PolarHBondContact OE1-NH2 2.87Å
246Q81.4Confident78.8Confident76 Ų7676.9 Ų76.936%0.35542%0.42SS..Hα-helixtrans-61.7-44.8175.9-72.8173.51.200112.1T242 V243 T244 R249 E250T242-Q246 WeakPolarHBondContact O-CG 3.44Å; T242-Q246 PolarHBondContact O-N 3.37Å; T242-Q246 VanDerWaalsContact O-N 3.09Å; V243-Q246 PolarHBondContact O-N 2.91Å; T244-Q246 PolarHBondContact O-N 3.39Å; Q246-R249 PolarHBondContact O-N 2.71Å; Q246-E250 WeakPolarHBondContact O-CG 3.32Å; Q246-E250 PolarHBondContact O-N 3.44Å
247L85.1Confident78.1Confident4 Ų477 Ų772%0.02142%0.421CS..Hα-helixtrans-64.2-42178.7-69.9172.4000112V243 T244 R249 E250 G251 L252 L260 R261V243-L247 HydrophobicContact CG1-CD1 4Å; V243-L247 HydrophobicContact CG1-CG 4.4Å; V243-L247 WeakPolarHBondContact O-CG 3.38Å; V243-L247 PolarHBondContact O-N 3.32Å; T244-L247 PolarHBondContact O-N 2.87Å; L247-R249 VanDerWaalsContact C-N 3.33Å; L247-R249 PolarHBondContact O-N 3.3Å; L247-E250 CarbonylContact O-C 3.43Å; L247-E250 PolarHBondContact O-N 2.66Å; L247-E250 VanDerWaalsContact O-N 3.14Å; L247-G251 PolarHBondContact O-N 2.94Å; L247-L252 CarbonylContact C-O 3.56Å; L247-L252 HydrophobicContact CB-CB 4.49Å; L247-L252 HydrophobicContact CD2-CB 4.33Å; L247-L252 HydrophobicContact CD2-CD1 4Å; L247-L252 PolarHBondContact O-N 3.45Å; L247-L260 HydrophobicContact CD2-CD2 4.01Å; L247-L260 HydrophobicContact CD2-CG 4.4Å; L247-R261 HydrophobicContact CD1-CG 3.61Å
248L84.5Confident77.6Confident113 Ų11375 Ų7559%0.59242%0.422SS*.Hα-helixtrans-60-42.5175.8-76.1164.8000111.8T244 E245 E250 G251T244-L248 HydrophobicContact CG2-CD1 4.12Å; T244-L248 WeakPolarHBondContact O-CG 3.27Å; T244-L248 PolarHBondContact O-N 2.84Å; E245-L248 PolarHBondContact O-N 3.17Å; L248-E250 VanDerWaalsContact C-N 3.3Å; L248-E250 PolarHBondContact O-N 2.91Å; L248-G251 PolarHBondContact O-N 3.29Å; L248-G251 VanDerWaalsContact O-N 3.13Å
249R84.4Confident77.9Confident192 Ų19276.7 Ų76.773%0.72544%0.435SS*.Hα-helixtrans-64.9-32.7175.4-70175.2-174.8-160.83.2112.8E245 Q246 L247 G251E245-R249 WeakPolarHBondContact O-CG 3.47Å; E245-R249 PolarHBondContact O-N 3.24Å; E245-R249 IonicContact OE1-CZ 2.97Å; E245-R249 IonicContact OE1-NE 3.34Å; E245-R249 IonicContact OE1-NH2 4Å; E245-R249 PolarHBondContact OE1-NH2 2.87Å; Q246-R249 PolarHBondContact O-N 2.71Å; L247-R249 VanDerWaalsContact C-N 3.33Å; L247-R249 PolarHBondContact O-N 3.3Å; R249-G251 PolarHBondContact O-N 2.97Å
250E86.4Confident78Confident94 Ų9478.8 Ų78.844%0.43945%0.445SS..THydrogen-bonded Turntrans-78.11.2175.7-68.9174.8-165.800112.7Q246 L247 L248 L252 R264Q246-E250 WeakPolarHBondContact O-CG 3.32Å; Q246-E250 PolarHBondContact O-N 3.44Å; L247-E250 CarbonylContact O-C 3.43Å; L247-E250 PolarHBondContact O-N 2.66Å; L247-E250 VanDerWaalsContact O-N 3.14Å; L248-E250 VanDerWaalsContact C-N 3.3Å; L248-E250 PolarHBondContact O-N 2.91Å; E250-L252 HydrophobicContact CB-CD1 4.14Å; E250-L252 HydrophobicContact CB-CG 4.28Å; E250-L252 PolarHBondContact O-N 3.31Å; E250-R264 IonicContact OE1-CZ 2.74Å; E250-R264 IonicContact OE1-NH1 3.51Å; E250-R264 PolarHBondContact OE1-NH1 3.23Å; E250-R264 IonicContact OE1-NH2 3.85Å; E250-R264 IonicContact OE2-CZ 3.52Å; E250-R264 IonicContact OE2-NH1 3.13Å; E250-R264 IonicContact OE2-NH2 2.76Å; E250-R264 PolarHBondContact OE2-NH2 3.03Å
251G81.4Confident77.8Confident68 Ų6878.7 Ų78.770%0.70144%0.441SS*.THydrogen-bonded Turntrans72.79.1-178.300000114L247 L248 R249L247-G251 PolarHBondContact O-N 2.94Å; L248-G251 PolarHBondContact O-N 3.29Å; L248-G251 VanDerWaalsContact O-N 3.13Å; R249-G251 PolarHBondContact O-N 2.97Å
252L76.4Confident78Confident75 Ų7584.9 Ų84.939%0.39345%0.451SS..  trans-89.5128.3179.7-63.8170.4000109.3L247 E250 A254 L260L247-L252 CarbonylContact C-O 3.56Å; L247-L252 HydrophobicContact CB-CB 4.49Å; L247-L252 HydrophobicContact CD2-CB 4.33Å; L247-L252 HydrophobicContact CD2-CD1 4Å; L247-L252 PolarHBondContact O-N 3.45Å; E250-L252 HydrophobicContact CB-CD1 4.14Å; E250-L252 HydrophobicContact CB-CG 4.28Å; E250-L252 PolarHBondContact O-N 3.31Å; L252-A254 PolarHBondContact O-N 3.49Å; L252-A254 VanDerWaalsContact O-N 3.16Å; L252-L260 HydrophobicContact CD1-CD2 4.27Å
253Q66.6Low78.5Confident155 Ų15586.3 Ų86.372%0.72446%0.46SS*.  trans-64.6119.9175.7-79-163.5-5.500110.5S255 G256Q253-S255 PolarHBondContact O-N 3.29Å; Q253-S255 VanDerWaalsContact O-N 3.09Å; Q253-S255 PolarHBondContact OE1-OG 2.98Å; Q253-G256 PolarHBondContact O-N 2.9Å
254A56.8Low78.5Confident20 Ų2089.8 Ų89.817%0.16547%0.473CS..THydrogen-bonded Turntrans-55.6-27.6173.600000112.2T244 L252 R261T244-A254 HydrophobicContact CG2-CB 3.87Å; L252-A254 PolarHBondContact O-N 3.49Å; L252-A254 VanDerWaalsContact O-N 3.16Å; A254-R261 WeakPolarHBondContact O-CD 3.32Å; A254-R261 PolarHBondContact O-NE 2.92Å; A254-R261 PolarHBondContact O-NH1 3.36Å; A254-R261 PolarHBondContact O-NH2 3.26Å
255S58.2Low78.5Confident88 Ų8889.4 Ų89.462%0.61547%0.469SS*.THydrogen-bonded Turntrans-76.8-18.8-178.436.60000115.7Q253Q253-S255 PolarHBondContact O-N 3.29Å; Q253-S255 VanDerWaalsContact O-N 3.09Å; Q253-S255 PolarHBondContact OE1-OG 2.98Å
256G60Low78.9Confident64 Ų6491.4 Ų91.466%0.6648%0.478SS*.SBendtrans-87.1-28.7-162.600000117.4Q253Q253-G256 PolarHBondContact O-N 2.9Å
257D71.6Confident79.2Confident84 Ų8495 Ų9545%0.44949%0.493SS..  trans-142.299.7-174.7-167.5-13.7000112Q259 L260 R261D257-Q259 PolarHBondContact O-N 3.29Å; D257-Q259 WeakPolarHBondContact OD1-CA 3.46Å; D257-Q259 VanDerWaalsContact OD1-CB 3.29Å; D257-Q259 WeakPolarHBondContact OD1-CB 3.49Å; D257-Q259 PolarHBondContact OD1-N 3.03Å; D257-L260 HydrophobicContact CB-CB 3.86Å; D257-L260 PolarHBondContact O-N 3.29Å; D257-L260 PolarHBondContact OD1-N 2.86Å; D257-R261 PolarHBondContact O-N 3.49Å
258A76.9Confident78.9Confident58 Ų5896.7 Ų96.748%0.47950%0.501SS..Hα-helixtrans-62.2-27.5177.400000112.2R262A258-R262 VanDerWaalsContact O-CG 3.31Å; A258-R262 WeakPolarHBondContact O-CG 3.3Å; A258-R262 PolarHBondContact O-N 2.74Å; A258-R262 VanDerWaalsContact O-N 3.17Å
259Q83.4Confident78.6Confident146 Ų14693.5 Ų93.568%0.68249%0.488SS*.Hα-helixtrans-77.2-38-179.3-167.7148.9-30.300111.5D257 R262 T263D257-Q259 PolarHBondContact O-N 3.29Å; D257-Q259 WeakPolarHBondContact OD1-CA 3.46Å; D257-Q259 VanDerWaalsContact OD1-CB 3.29Å; D257-Q259 WeakPolarHBondContact OD1-CB 3.49Å; D257-Q259 PolarHBondContact OD1-N 3.03Å; Q259-R262 PolarHBondContact O-N 3.46Å; Q259-T263 WeakPolarHBondContact O-CB 3.38Å; Q259-T263 PolarHBondContact O-N 2.78Å; Q259-T263 PolarHBondContact O-OG1 3.49Å
260L84.1Confident78.6Confident58 Ų5886.4 Ų86.430%0.30447%0.471SS..Hα-helixtrans-61.1-45.6172.5-176.662.2000111.7L247 L252 D257 T263 R264L247-L260 HydrophobicContact CD2-CD2 4.01Å; L247-L260 HydrophobicContact CD2-CG 4.4Å; L252-L260 HydrophobicContact CD1-CD2 4.27Å; D257-L260 HydrophobicContact CB-CB 3.86Å; D257-L260 PolarHBondContact O-N 3.29Å; D257-L260 PolarHBondContact OD1-N 2.86Å; L260-T263 PolarHBondContact O-N 3.21Å; L260-R264 HydrophobicContact CD1-CG 4.46Å; L260-R264 WeakPolarHBondContact O-CG 3.4Å; L260-R264 PolarHBondContact O-N 2.95Å
261R83.3Confident78.2Confident94 Ų9489.8 Ų89.836%0.35548%0.479SS..Hα-helixtrans-60.1-47.1176.7-83.5-173.7-79.7178.5-11112.3L247 A254 D257 T263 R264 L265L247-R261 HydrophobicContact CD1-CG 3.61Å; A254-R261 WeakPolarHBondContact O-CD 3.32Å; A254-R261 PolarHBondContact O-NE 2.92Å; A254-R261 PolarHBondContact O-NH1 3.36Å; A254-R261 PolarHBondContact O-NH2 3.26Å; D257-R261 PolarHBondContact O-N 3.49Å; R261-T263 VanDerWaalsContact C-N 3.33Å; R261-T263 PolarHBondContact O-N 2.91Å; R261-R264 PolarHBondContact O-N 2.88Å; R261-L265 WeakPolarHBondContact O-CB 3.34Å; R261-L265 PolarHBondContact O-N 3.39Å
262R86.6Confident78.1Confident190 Ų19090 Ų9072%0.71746%0.459SS*.Hα-helixtrans-59-44.7176.1-74.7174.3-178.6-178.31.2111.6A258 Q259 L265 H266A258-R262 VanDerWaalsContact O-CG 3.31Å; A258-R262 WeakPolarHBondContact O-CG 3.3Å; A258-R262 PolarHBondContact O-N 2.74Å; A258-R262 VanDerWaalsContact O-N 3.17Å; Q259-R262 PolarHBondContact O-N 3.46Å; R262-L265 PolarHBondContact O-N 2.97Å; R262-H266 PolarHBondContact O-N 3.07Å
263T89.5Confident78.2Confident85 Ų8591.5 Ų91.552%0.52146%0.464SS..Hα-helixtrans-61.6-46.2178.1-56.70000111.9Q259 L260 R261 H266 K267Q259-T263 WeakPolarHBondContact O-CB 3.38Å; Q259-T263 PolarHBondContact O-N 2.78Å; Q259-T263 PolarHBondContact O-OG1 3.49Å; L260-T263 PolarHBondContact O-N 3.21Å; R261-T263 VanDerWaalsContact C-N 3.33Å; R261-T263 PolarHBondContact O-N 2.91Å; T263-H266 PolarHBondContact O-N 3.02Å; T263-K267 WeakPolarHBondContact O-CB 3.38Å; T263-K267 PolarHBondContact O-N 2.94Å
264R85.7Confident78.7Confident77 Ų7790.8 Ų90.829%0.29146%0.461SS..Hα-helixtrans-64-40.7177.8-71.6-74.1-175.5134.28.2111.9V243 E250 L260 R261 K267 L268V243-R264 HydrophobicContact CG1-CB 3.64Å; V243-R264 HydrophobicContact CG1-CG 4.47Å; V243-R264 HydrophobicContact CG2-CB 4.22Å; E250-R264 IonicContact OE1-CZ 2.74Å; E250-R264 IonicContact OE1-NH1 3.51Å; E250-R264 PolarHBondContact OE1-NH1 3.23Å; E250-R264 IonicContact OE1-NH2 3.85Å; E250-R264 IonicContact OE2-CZ 3.52Å; E250-R264 IonicContact OE2-NH1 3.13Å; E250-R264 IonicContact OE2-NH2 2.76Å; E250-R264 PolarHBondContact OE2-NH2 3.03Å; L260-R264 HydrophobicContact CD1-CG 4.46Å; L260-R264 WeakPolarHBondContact O-CG 3.4Å; L260-R264 PolarHBondContact O-N 2.95Å; R261-R264 PolarHBondContact O-N 2.88Å; R264-K267 PolarHBondContact O-N 3.47Å; R264-L268 WeakPolarHBondContact O-CB 3.33Å; R264-L268 PolarHBondContact O-N 3.38Å
265L86.4Confident79.6Confident37 Ų3796.1 Ų96.119%0.19448%0.477CS..Hα-helixtrans-62.8-46.7176.7-172.170.4000111.9L236 D239 Q240 V243 R261 R262 K267 L268 S269L236-L265 HydrophobicContact CD1-CD2 3.76Å; D239-L265 HydrophobicContact CB-CD1 3.45Å; D239-L265 VanDerWaalsContact CB-CD1 3.45Å; Q240-L265 HydrophobicContact CG-CD1 4.37Å; Q240-L265 HydrophobicContact CG-CD2 4.38Å; V243-L265 HydrophobicContact CG2-CB 4.46Å; V243-L265 HydrophobicContact CG2-CD1 4.29Å; R261-L265 WeakPolarHBondContact O-CB 3.34Å; R261-L265 PolarHBondContact O-N 3.39Å; R262-L265 PolarHBondContact O-N 2.97Å; L265-K267 PolarHBondContact O-N 2.77Å; L265-L268 WeakPolarHBondContact O-CB 3.42Å; L265-L268 PolarHBondContact O-N 2.76Å; L265-S269 PolarHBondContact O-N 3.43Å
266H89Confident80.2Confident142 Ų14293.5 Ų93.566%0.65746%0.457SS*.Hα-helixtrans-60-46175.6-175.8-88.3000111.3R262 T263 L268 S269 A270R262-H266 PolarHBondContact O-N 3.07Å; T263-H266 PolarHBondContact O-N 3.02Å; H266-L268 VanDerWaalsContact C-N 3.33Å; H266-L268 PolarHBondContact O-N 3.09Å; H266-S269 PolarHBondContact O-N 3.45Å; H266-A270 WeakPolarHBondContact O-CB 3.47Å; H266-A270 PolarHBondContact O-N 3.34Å
267K86.1Confident81.2Confident152 Ų15294.2 Ų94.266%0.66144%0.443SS*.Hα-helixtrans-61.9-39.3177.3-167.7175.7-176.6176.50112.2T263 R264 L265 R271T263-K267 WeakPolarHBondContact O-CB 3.38Å; T263-K267 PolarHBondContact O-N 2.94Å; R264-K267 PolarHBondContact O-N 3.47Å; L265-K267 PolarHBondContact O-N 2.77Å; K267-R271 VanDerWaalsContact O-CB 3.27Å; K267-R271 WeakPolarHBondContact O-CB 3.36Å; K267-R271 PolarHBondContact O-N 3.49Å
268L79.6Confident81.4Confident39 Ų3992 Ų9220%0.20444%0.439CS..Hα-helixtrans-62.7-48.2175.9-178.868.9000111.2D239 T242 V243 R264 L265 H266 R272D239-L268 HydrophobicContact CB-CD2 4.12Å; T242-L268 HydrophobicContact CG2-CD2 4.31Å; V243-L268 HydrophobicContact CG2-CD2 4.18Å; R264-L268 WeakPolarHBondContact O-CB 3.33Å; R264-L268 PolarHBondContact O-N 3.38Å; L265-L268 WeakPolarHBondContact O-CB 3.42Å; L265-L268 PolarHBondContact O-N 2.76Å; H266-L268 VanDerWaalsContact C-N 3.33Å; H266-L268 PolarHBondContact O-N 3.09Å; L268-R272 WeakPolarHBondContact O-CB 3.25Å; L268-R272 PolarHBondContact O-N 3.32Å
269S79.3Confident81.3Confident46 Ų4694 Ų9432%0.32244%0.438SS..Hα-helixtrans-62.8-49.3179-166.20000111.6L265 H266 R271 R272 E273L265-S269 PolarHBondContact O-N 3.43Å; H266-S269 PolarHBondContact O-N 3.45Å; S269-R271 PolarHBondContact O-N 2.89Å; S269-R272 WeakPolarHBondContact O-CB 3.41Å; S269-R272 PolarHBondContact O-N 3.32Å; S269-R272 VanDerWaalsContact O-N 3.11Å; S269-E273 PolarHBondContact O-N 2.82Å
270A82.5Confident81Confident42 Ų4287.8 Ų87.835%0.34741%0.409SS..Hα-helixtrans-59.6-44.5178.900000112H266 R272 E273 E274H266-A270 WeakPolarHBondContact O-CB 3.47Å; H266-A270 PolarHBondContact O-N 3.34Å; A270-R272 VanDerWaalsContact C-N 3.3Å; A270-R272 PolarHBondContact O-N 2.86Å; A270-E273 PolarHBondContact O-N 3.3Å; A270-E274 PolarHBondContact O-N 3.24Å
271R78.8Confident81Confident165 Ų16591 Ų9162%0.62342%0.423SS*.Hα-helixtrans-64.9-35177.2-160.4-163.7172.9178.5-1111.7K267 S269 R275K267-R271 VanDerWaalsContact O-CB 3.27Å; K267-R271 WeakPolarHBondContact O-CB 3.36Å; K267-R271 PolarHBondContact O-N 3.49Å; S269-R271 PolarHBondContact O-N 2.89Å; R271-R275 VanDerWaalsContact CG-NH1 3.25Å; R271-R275 WeakPolarHBondContact O-CG 3.32Å; R271-R275 PolarHBondContact O-N 3.18Å; R271-R275 PolarHBondContact O-NH1 3.43Å
272R78.9Confident80.7Confident72 Ų7289.2 Ų89.227%0.27243%0.428SS..Hα-helixtrans-66-46.7174.6174.4175.959.7-140.6-3110.1Q235 D239 L268 S269 A270 R275 V276Q235-R272 VanDerWaalsContact NE2-NH1 3.15Å; D239-R272 VanDerWaalsContact CG-NH1 3.26Å; D239-R272 IonicContact OD1-CZ 2.75Å; D239-R272 IonicContact OD1-NH1 3.65Å; D239-R272 PolarHBondContact OD1-NH1 3.34Å; D239-R272 IonicContact OD1-NH2 3.53Å; D239-R272 IonicContact OD2-CZ 2.92Å; D239-R272 IonicContact OD2-NH1 4Å; D239-R272 PolarHBondContact OD2-NH1 3.01Å; D239-R272 IonicContact OD2-NH2 3.46Å; D239-R272 PolarHBondContact OD2-NH2 3.1Å; L268-R272 WeakPolarHBondContact O-CB 3.25Å; L268-R272 PolarHBondContact O-N 3.32Å; S269-R272 WeakPolarHBondContact O-CB 3.41Å; S269-R272 PolarHBondContact O-N 3.32Å; S269-R272 VanDerWaalsContact O-N 3.11Å; A270-R272 VanDerWaalsContact C-N 3.3Å; A270-R272 PolarHBondContact O-N 2.86Å; R272-R275 PolarHBondContact O-N 2.92Å; R272-V276 HydrophobicContact CG-CG2 4.33Å; R272-V276 WeakPolarHBondContact O-CB 3.49Å; R272-V276 VanDerWaalsContact O-CG2 3.25Å; R272-V276 WeakPolarHBondContact O-CG2 3.39Å; R272-V276 PolarHBondContact O-N 3.34Å
273E79Confident80.3Confident107 Ų10782 Ų8250%0.540%0.403SS..Hα-helixtrans-59.1-47178.4-170.6174.8-179.500111.8S269 A270 R275 V276 Q277S269-E273 PolarHBondContact O-N 2.82Å; A270-E273 PolarHBondContact O-N 3.3Å; E273-R275 PolarHBondContact O-N 3.41Å; E273-V276 WeakPolarHBondContact O-CB 3.32Å; E273-V276 PolarHBondContact O-N 3.25Å; E273-Q277 HydrophobicContact CG-CG 4.47Å; E273-Q277 VanDerWaalsContact O-CG 3.31Å; E273-Q277 WeakPolarHBondContact O-CG 3.5Å; E273-Q277 PolarHBondContact O-N 3.25Å
274E78Confident80.2Confident140 Ų14080.5 Ų80.565%0.65439%0.39SS*.Hα-helixtrans-56.2-49.6175.6-176.1-172.8-172.800112.3A270 V276 Q277 G278A270-E274 PolarHBondContact O-N 3.24Å; E274-V276 VanDerWaalsContact C-N 3.31Å; E274-V276 PolarHBondContact O-N 2.96Å; E274-Q277 PolarHBondContact O-N 2.89Å; E274-G278 PolarHBondContact O-N 2.95Å
275R74Confident80.2Confident133 Ų13382.7 Ų82.750%0.50241%0.407SS..Hα-helixtrans-62.3-40.3177.5-70.9-168.1-49.4-81.58.5112R271 R272 E273 F279R271-R275 VanDerWaalsContact CG-NH1 3.25Å; R271-R275 WeakPolarHBondContact O-CG 3.32Å; R271-R275 PolarHBondContact O-N 3.18Å; R271-R275 PolarHBondContact O-NH1 3.43Å; R272-R275 PolarHBondContact O-N 2.92Å; E273-R275 PolarHBondContact O-N 3.41Å; R275-F279 WeakPolarHBondContact O-CB 3.43Å; R275-F279 PolarHBondContact O-N 2.98Å
276V71.7Confident80.2Confident32 Ų3288.3 Ų88.319%0.19443%0.43CS..Hα-helixtrans-63.4-47.7177.2164.50000109.9L153 R272 E273 E274 G278 F279 L280L153-V276 HydrophobicContact CD1-CG1 4.24Å; L153-V276 HydrophobicContact CD2-CG2 4.37Å; R272-V276 HydrophobicContact CG-CG2 4.33Å; R272-V276 WeakPolarHBondContact O-CB 3.49Å; R272-V276 VanDerWaalsContact O-CG2 3.25Å; R272-V276 WeakPolarHBondContact O-CG2 3.39Å; R272-V276 PolarHBondContact O-N 3.34Å; E273-V276 WeakPolarHBondContact O-CB 3.32Å; E273-V276 PolarHBondContact O-N 3.25Å; E274-V276 VanDerWaalsContact C-N 3.31Å; E274-V276 PolarHBondContact O-N 2.96Å; V276-G278 PolarHBondContact O-N 3.43Å; V276-F279 PolarHBondContact O-N 3.48Å; V276-L280 HydrophobicContact CG1-CD1 3.6Å; V276-L280 HydrophobicContact CG1-CG 4.22Å; V276-L280 WeakPolarHBondContact O-CB 3.35Å; V276-L280 WeakPolarHBondContact O-CG 3.5Å; V276-L280 PolarHBondContact O-N 3.12Å
277Q80.3Confident80.1Confident79 Ų7984.4 Ų84.437%0.36941%0.41SS..Hα-helixtrans-61-45.9178.2-68.8-65.4-8.200111.9E273 E274 F279 L280 Q281E273-Q277 HydrophobicContact CG-CG 4.47Å; E273-Q277 VanDerWaalsContact O-CG 3.31Å; E273-Q277 WeakPolarHBondContact O-CG 3.5Å; E273-Q277 PolarHBondContact O-N 3.25Å; E274-Q277 PolarHBondContact O-N 2.89Å; Q277-F279 PolarHBondContact O-N 3.49Å; Q277-L280 PolarHBondContact O-N 3.4Å; Q277-Q281 VanDerWaalsContact O-CG 3.32Å; Q277-Q281 WeakPolarHBondContact O-CG 3.45Å; Q277-Q281 PolarHBondContact O-N 3.48Å
278G75.5Confident80Confident37 Ų3779.8 Ų79.838%0.38140%0.4SS..Hα-helixtrans-59.9-43.417600000112.8E274 V276 A282E274-G278 PolarHBondContact O-N 2.95Å; V276-G278 PolarHBondContact O-N 3.43Å; G278-A282 PolarHBondContact O-N 3.16Å; G278-A282 VanDerWaalsContact O-N 3.12Å
279F74.9Confident80.4Confident100 Ų10081.3 Ų81.344%0.43941%0.408SS..Hα-helixtrans-62.4-45.2174.8167.4-92.8000112.3L153 C157 R275 V276 Q277 Q281 A282 L283L153-F279 HydrophobicContact CD1-CD1 3.54Å; L153-F279 HydrophobicContact CD1-CE1 3.63Å; C157-F279 VanDerWaalsContact SG-CE1 3.54Å; R275-F279 WeakPolarHBondContact O-CB 3.43Å; R275-F279 PolarHBondContact O-N 2.98Å; V276-F279 PolarHBondContact O-N 3.48Å; Q277-F279 PolarHBondContact O-N 3.49Å; F279-Q281 PolarHBondContact O-N 2.82Å; F279-A282 PolarHBondContact O-N 3.29Å; F279-L283 HydrophobicContact CE1-CB 4.49Å; F279-L283 HydrophobicContact CE1-CD2 4.04Å; F279-L283 HydrophobicContact CZ-CD2 4.21Å; F279-L283 WeakPolarHBondContact O-CB 3.27Å; F279-L283 PolarHBondContact O-N 3.35Å
280L77.3Confident80.8Confident17 Ų1784.4 Ų84.49%0.08941%0.413CS..Hα-helixtrans-63.4-41.4-179-71.2168.8000111.9L153 K156 V276 Q277 L283 E284L153-L280 HydrophobicContact CD1-CD2 3.95Å; L153-L280 HydrophobicContact CD1-CG 4.31Å; K156-L280 HydrophobicContact CB-CD2 3.48Å; K156-L280 VanDerWaalsContact CB-CD2 3.48Å; K156-L280 HydrophobicContact CD-CD1 3.36Å; K156-L280 HydrophobicContact CD-CD2 3.74Å; K156-L280 HydrophobicContact CD-CG 4.18Å; K156-L280 HydrophobicContact CG-CD2 4.23Å; V276-L280 HydrophobicContact CG1-CD1 3.6Å; V276-L280 HydrophobicContact CG1-CG 4.22Å; V276-L280 WeakPolarHBondContact O-CB 3.35Å; V276-L280 WeakPolarHBondContact O-CG 3.5Å; V276-L280 PolarHBondContact O-N 3.12Å; Q277-L280 PolarHBondContact O-N 3.4Å; L280-L283 PolarHBondContact O-N 2.88Å; L280-E284 WeakPolarHBondContact O-CG 3.39Å; L280-E284 PolarHBondContact O-N 3.09Å
281Q84.1Confident80.9Confident125 Ų12584.3 Ų84.358%0.58441%0.406SS*.Hα-helixtrans-60.7-45.5173.9-71.5172.25.100111.2Q277 F279 L283 E284 L285Q277-Q281 VanDerWaalsContact O-CG 3.32Å; Q277-Q281 WeakPolarHBondContact O-CG 3.45Å; Q277-Q281 PolarHBondContact O-N 3.48Å; F279-Q281 PolarHBondContact O-N 2.82Å; Q281-L283 VanDerWaalsContact C-N 3.32Å; Q281-L283 PolarHBondContact O-N 3.34Å; Q281-E284 PolarHBondContact O-N 3.43Å; Q281-L285 WeakPolarHBondContact O-CB 3.34Å; Q281-L285 VanDerWaalsContact O-CG 3.32Å; Q281-L285 WeakPolarHBondContact O-CG 3.31Å; Q281-L285 PolarHBondContact O-N 3.27Å
282A78.7Confident81.1Confident57 Ų5778.2 Ų78.247%0.47139%0.391SS..Hα-helixtrans-63.1-38.5176.800000112.4G278 F279 L285 K286G278-A282 PolarHBondContact O-N 3.16Å; G278-A282 VanDerWaalsContact O-N 3.12Å; F279-A282 PolarHBondContact O-N 3.29Å; A282-L285 PolarHBondContact O-N 3.02Å; A282-K286 WeakPolarHBondContact O-CB 3.41Å; A282-K286 PolarHBondContact O-N 2.93Å
283L77.9Confident81.5Confident37 Ų3782.5 Ų82.519%0.19441%0.407CS..Hα-helixtrans-65.5-45.2176.4-179.760.9000111.8C157 F279 L280 Q281 K286 R287C157-L283 HydrophobicContact CB-CD2 4.47Å; F279-L283 HydrophobicContact CE1-CB 4.49Å; F279-L283 HydrophobicContact CE1-CD2 4.04Å; F279-L283 HydrophobicContact CZ-CD2 4.21Å; F279-L283 WeakPolarHBondContact O-CB 3.27Å; F279-L283 PolarHBondContact O-N 3.35Å; L280-L283 PolarHBondContact O-N 2.88Å; Q281-L283 VanDerWaalsContact C-N 3.32Å; Q281-L283 PolarHBondContact O-N 3.34Å; L283-K286 PolarHBondContact O-N 3.45Å; L283-R287 WeakPolarHBondContact O-CG 3.31Å; L283-R287 PolarHBondContact O-N 3.32Å
284E85.8Confident81.5Confident54 Ų5478.3 Ų78.325%0.25239%0.389SS..Hα-helixtrans-64.8-39.6176.6-72.7-59.7138.200111.8N161 R162 L280 Q281 K286 R287 A288N161-E284 PolarHBondContact ND2-OE1 3.47Å; R162-E284 IonicContact CZ-OE2 2.77Å; R162-E284 IonicContact NE-OE2 3.83Å; R162-E284 IonicContact NH2-OE2 2.76Å; R162-E284 PolarHBondContact NH2-OE2 2.99Å; L280-E284 WeakPolarHBondContact O-CG 3.39Å; L280-E284 PolarHBondContact O-N 3.09Å; Q281-E284 PolarHBondContact O-N 3.43Å; E284-K286 PolarHBondContact O-N 2.96Å; E284-R287 PolarHBondContact O-N 3.13Å; E284-R287 IonicContact OE1-CZ 3.73Å; E284-R287 IonicContact OE1-NH1 2.93Å; E284-R287 PolarHBondContact OE1-NH1 3Å; E284-A288 WeakPolarHBondContact O-CB 3.5Å; E284-A288 PolarHBondContact O-N 2.89Å
285L86.9Confident81.3Confident123 Ų12372.4 Ų72.464%0.64437%0.365SS*.Hα-helixtrans-59.2-46.1172.2-76.4168.4000111.5Q281 A282 R287 A288 D289Q281-L285 WeakPolarHBondContact O-CB 3.34Å; Q281-L285 VanDerWaalsContact O-CG 3.32Å; Q281-L285 WeakPolarHBondContact O-CG 3.31Å; Q281-L285 PolarHBondContact O-N 3.27Å; A282-L285 PolarHBondContact O-N 3.02Å; L285-R287 VanDerWaalsContact C-N 3.34Å; L285-R287 PolarHBondContact O-N 3.46Å; L285-A288 PolarHBondContact O-N 3.29Å; L285-D289 WeakPolarHBondContact O-CB 3.43Å; L285-D289 PolarHBondContact O-N 3.01Å
286K85.2Confident81.3Confident156 Ų15670.4 Ų70.468%0.67837%0.367SS*.Hα-helixtrans-62.7-40.2177.9-174.1176.8178.4179.60112.3A282 L283 E284 W290A282-K286 WeakPolarHBondContact O-CB 3.41Å; A282-K286 PolarHBondContact O-N 2.93Å; L283-K286 PolarHBondContact O-N 3.45Å; E284-K286 PolarHBondContact O-N 2.96Å; K286-W290 PolarHBondContact O-N 3.42Å; K286-W290 VanDerWaalsContact O-N 3.09Å
287R87.3Confident80.6Confident60 Ų6071.9 Ų71.923%0.22638%0.383CS..Hα-helixtrans-64-45.1175.3-74.7169.5168.7171.7-8.8111.5K156 C157 L158 N161 L283 E284 L285 L291K156-R287 PolarHBondContact O-NH1 3.14Å; C157-R287 PolarHBondContact O-NH2 3.41Å; L158-R287 PolarHBondContact O-NH2 3.37Å; L158-R287 VanDerWaalsContact O-NH2 3.13Å; N161-R287 PolarHBondContact ND2-NH1 3.45Å; L283-R287 WeakPolarHBondContact O-CG 3.31Å; L283-R287 PolarHBondContact O-N 3.32Å; E284-R287 PolarHBondContact O-N 3.13Å; E284-R287 IonicContact OE1-CZ 3.73Å; E284-R287 IonicContact OE1-NH1 2.93Å; E284-R287 PolarHBondContact OE1-NH1 3Å; L285-R287 VanDerWaalsContact C-N 3.34Å; L285-R287 PolarHBondContact O-N 3.46Å; R287-L291 WeakPolarHBondContact O-CB 3.36Å; R287-L291 PolarHBondContact O-N 3.26Å
288A85.1Confident79.2Confident54 Ų5471.5 Ų71.545%0.44639%0.389SS..Hα-helixtrans-65.7-42.3178.700000112.3E284 L285 L291 A292E284-A288 WeakPolarHBondContact O-CB 3.5Å; E284-A288 PolarHBondContact O-N 2.89Å; L285-A288 PolarHBondContact O-N 3.29Å; A288-L291 PolarHBondContact O-N 3.01Å; A288-A292 VanDerWaalsContact O-CB 3.32Å; A288-A292 WeakPolarHBondContact O-CB 3.43Å; A288-A292 PolarHBondContact O-N 3.11Å
289D88.1Confident77.5Confident72 Ų7277.2 Ų77.239%0.38543%0.433SS..Hα-helixtrans-61.7-47.2177177.152.6000111.5L285 L291 A292 R293L285-D289 WeakPolarHBondContact O-CB 3.43Å; L285-D289 PolarHBondContact O-N 3.01Å; D289-L291 PolarHBondContact O-N 2.9Å; D289-A292 PolarHBondContact O-N 3.41Å; D289-R293 VanDerWaalsContact CG-NE 3.27Å; D289-R293 VanDerWaalsContact O-CG 3.27Å; D289-R293 WeakPolarHBondContact O-CG 3.38Å; D289-R293 PolarHBondContact O-N 3.19Å; D289-R293 IonicContact OD1-CZ 3.68Å; D289-R293 IonicContact OD1-NE 2.99Å; D289-R293 PolarHBondContact OD1-NE 3.29Å; D289-R293 IonicContact OD1-NH2 3.32Å; D289-R293 PolarHBondContact OD1-NH2 2.93Å; D289-R293 IonicContact OD2-CZ 3.53Å; D289-R293 IonicContact OD2-NE 3.72Å; D289-R293 PolarHBondContact OD2-NE 3.37Å; D289-R293 IonicContact OD2-NH2 3.75Å; D289-R293 PolarHBondContact OD2-NH2 2.8Å
290W86.8Confident77.6Confident110 Ų11076.1 Ų76.142%0.41743%0.432SS..Hα-helixtrans-62.6-44176.9-169.582.8000112.5L124 K286 A292 R293 L294L124-W290 HydrophobicContact CB-CH2 4.04Å; L124-W290 HydrophobicContact CD1-CZ3 4.42Å; K286-W290 PolarHBondContact O-N 3.42Å; K286-W290 VanDerWaalsContact O-N 3.09Å; W290-A292 PolarHBondContact O-N 2.92Å; W290-R293 PolarHBondContact O-N 3.31Å; W290-L294 HydrophobicContact CD2-CD1 3.94Å; W290-L294 HydrophobicContact CE3-CD1 3.78Å; W290-L294 HydrophobicContact CH2-CD1 3.14Å; W290-L294 HydrophobicContact CH2-CG 4.49Å; W290-L294 HydrophobicContact CZ2-CD1 3.31Å; W290-L294 HydrophobicContact CZ2-CG 4.34Å; W290-L294 HydrophobicContact CZ3-CD1 3.39Å; W290-L294 PolarHBondContact O-N 3.29Å
291L84.3Confident77.6Confident41 Ų4179.2 Ų79.222%0.21545%0.45CS..Hα-helixtrans-61.1-43.8176.5-176.668.7000111.7A136 V139 R287 A288 D289 G295A136-L291 HydrophobicContact CB-CD1 3.78Å; V139-L291 HydrophobicContact CB-CD1 4.37Å; V139-L291 HydrophobicContact CG1-CD1 4.37Å; V139-L291 HydrophobicContact CG1-CD2 4.06Å; R287-L291 WeakPolarHBondContact O-CB 3.36Å; R287-L291 PolarHBondContact O-N 3.26Å; A288-L291 PolarHBondContact O-N 3.01Å; D289-L291 PolarHBondContact O-N 2.9Å; L291-G295 PolarHBondContact O-N 3.39Å
292A83.3Confident77.2Confident37 Ų3776.6 Ų76.631%0.30644%0.443SS..Hα-helixtrans-63.7-46.3178.400000111.8A288 D289 W290 L294 G295 T296A288-A292 VanDerWaalsContact O-CB 3.32Å; A288-A292 WeakPolarHBondContact O-CB 3.43Å; A288-A292 PolarHBondContact O-N 3.11Å; D289-A292 PolarHBondContact O-N 3.41Å; W290-A292 PolarHBondContact O-N 2.92Å; A292-L294 VanDerWaalsContact C-N 3.34Å; A292-L294 PolarHBondContact O-N 2.96Å; A292-G295 PolarHBondContact O-N 3.38Å; A292-T296 WeakPolarHBondContact O-CG2 3.29Å; A292-T296 PolarHBondContact O-N 3.06Å; A292-T296 VanDerWaalsContact O-N 3.12Å; A292-T296 PolarHBondContact O-OG1 2.92Å; A292-T296 VanDerWaalsContact O-OG1 3.04Å
293R86.6Confident77.1Confident161 Ų16177.8 Ų77.861%0.60844%0.441SS*.Hα-helixtrans-58.9-42.7179.7-72.1174.2-168.3-152.67.1112.9D289 W290 T296 A297D289-R293 VanDerWaalsContact CG-NE 3.27Å; D289-R293 VanDerWaalsContact O-CG 3.27Å; D289-R293 WeakPolarHBondContact O-CG 3.38Å; D289-R293 PolarHBondContact O-N 3.19Å; D289-R293 IonicContact OD1-CZ 3.68Å; D289-R293 IonicContact OD1-NE 2.99Å; D289-R293 PolarHBondContact OD1-NE 3.29Å; D289-R293 IonicContact OD1-NH2 3.32Å; D289-R293 PolarHBondContact OD1-NH2 2.93Å; D289-R293 IonicContact OD2-CZ 3.53Å; D289-R293 IonicContact OD2-NE 3.72Å; D289-R293 PolarHBondContact OD2-NE 3.37Å; D289-R293 IonicContact OD2-NH2 3.75Å; D289-R293 PolarHBondContact OD2-NH2 2.8Å; W290-R293 PolarHBondContact O-N 3.31Å; R293-T296 PolarHBondContact O-OG1 2.94Å; R293-A297 PolarHBondContact O-N 3.17Å
294L80.4Confident77.1Confident20 Ų2080.3 Ų80.311%0.10546%0.457CS..Hα-helixtrans-70.4-39.3176.2-78.2178.8000112.4L129 Q132 A136 W290 A292 T296 A297L129-L294 HydrophobicContact CD1-CD2 4.09Å; Q132-L294 HydrophobicContact CB-CD1 4.28Å; A136-L294 HydrophobicContact CB-CB 3.99Å; W290-L294 HydrophobicContact CD2-CD1 3.94Å; W290-L294 HydrophobicContact CE3-CD1 3.78Å; W290-L294 HydrophobicContact CH2-CD1 3.14Å; W290-L294 HydrophobicContact CH2-CG 4.49Å; W290-L294 HydrophobicContact CZ2-CD1 3.31Å; W290-L294 HydrophobicContact CZ2-CG 4.34Å; W290-L294 HydrophobicContact CZ3-CD1 3.39Å; W290-L294 PolarHBondContact O-N 3.29Å; A292-L294 VanDerWaalsContact C-N 3.34Å; A292-L294 PolarHBondContact O-N 2.96Å; L294-T296 PolarHBondContact O-N 3.43Å; L294-A297 PolarHBondContact O-N 2.98Å
295G73.4Confident76.5Confident15 Ų1582.1 Ų82.116%0.15547%0.47CS..Hα-helixtrans-65.4-21.6178.800000114.2L291 A292L291-G295 PolarHBondContact O-N 3.39Å; A292-G295 PolarHBondContact O-N 3.38Å
296T73.2Confident75.8Confident91 Ų9179.1 Ų79.156%0.55846%0.458SS*.THydrogen-bonded Turntrans-106.1-3.3-178.458.20000114.7A292 R293 L294 S298 A299A292-T296 WeakPolarHBondContact O-CG2 3.29Å; A292-T296 PolarHBondContact O-N 3.06Å; A292-T296 VanDerWaalsContact O-N 3.12Å; A292-T296 PolarHBondContact O-OG1 2.92Å; A292-T296 VanDerWaalsContact O-OG1 3.04Å; R293-T296 PolarHBondContact O-OG1 2.94Å; L294-T296 PolarHBondContact O-N 3.43Å; T296-S298 PolarHBondContact O-N 3.25Å; T296-S298 VanDerWaalsContact O-N 3.12Å; T296-A299 PolarHBondContact O-N 2.75Å
297A57.7Low75.1Confident64 Ų6473.2 Ų73.253%0.52944%0.441SS..THydrogen-bonded Turntrans-66.9-12.7-172.900000114.3R293 L294R293-A297 PolarHBondContact O-N 3.17Å; L294-A297 PolarHBondContact O-N 2.98Å
298S50Low74Confident71 Ų7174.3 Ų74.350%0.49746%0.459SS..THydrogen-bonded Turntrans-109.720.3-179.2200000114.2E133 T296E133-S298 WeakPolarHBondContact OE2-CB 3.25Å; E133-S298 PolarHBondContact OE2-OG 3Å; T296-S298 PolarHBondContact O-N 3.25Å; T296-S298 VanDerWaalsContact O-N 3.12Å
299A39.5Very low73Confident156 Ų15676.2 Ų76.2100%1.28946%0.46SS*.  trans-92.80169.700000112.7T296T296-A299 PolarHBondContact O-N 2.75Å

Retrieved 299 of 299 residues in 2254.2 ms (Link to these results)

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