G4VR88_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession G4VR88, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 81 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
1M60.2Low80.3Confident145 Ų14568.6 Ų68.671%0.71440%0.401SS*.  0135.30-139.991.517800107.5D5 I6M1-D5 HydrophobicContact CE-CB 3.99Å; M1-D5 HydrophobicContact CG-CB 3.76Å; M1-I6 HydrophobicContact CG-CG1 4.38Å
2S77.6Confident80.5Confident76 Ų7672.7 Ų72.753%0.53141%0.41SS..  trans-86.2158.9176.4-53.80000110.5A4 D5 I6S2-A4 PolarHBondContact O-N 3.15Å; S2-D5 WeakPolarHBondContact CB-OD2 3.33Å; S2-D5 PolarHBondContact N-OD2 3.04Å; S2-D5 PolarHBondContact O-N 2.68Å; S2-D5 VanDerWaalsContact O-N 3.11Å; S2-I6 WeakPolarHBondContact O-CG1 3.24Å; S2-I6 PolarHBondContact O-N 3.29Å
3I79.4Confident80.7Confident131 Ų13168.1 Ų68.167%0.67238%0.384SS*.Hα-helixtrans-55.1-35.3172.6-62.6167.9000110.5I6 T7I3-I6 PolarHBondContact O-N 3.39Å; I3-T7 WeakPolarHBondContact O-CB 3.15Å; I3-T7 PolarHBondContact O-N 3.03Å; I3-T7 PolarHBondContact O-OG1 2.95Å
4A83.5Confident81.2Confident62 Ų6263.6 Ų63.651%0.51236%0.358SS..Hα-helixtrans-57.6-49.4175.600000113S2 I6 T7 E8S2-A4 PolarHBondContact O-N 3.15Å; A4-I6 PolarHBondContact O-N 3.16Å; A4-T7 PolarHBondContact O-N 3.36Å; A4-E8 WeakPolarHBondContact O-CG 3.21Å; A4-E8 PolarHBondContact O-N 2.85Å
5D82.4Confident81.3Confident64 Ų6467.4 Ų67.434%0.34237%0.369SS..Hα-helixtrans-59.7-39.4178-60.1-72.9000111.4M1 S2 L9M1-D5 HydrophobicContact CE-CB 3.99Å; M1-D5 HydrophobicContact CG-CB 3.76Å; S2-D5 WeakPolarHBondContact CB-OD2 3.33Å; S2-D5 PolarHBondContact N-OD2 3.04Å; S2-D5 PolarHBondContact O-N 2.68Å; S2-D5 VanDerWaalsContact O-N 3.11Å; D5-L9 VanDerWaalsContact O-CB 3.23Å; D5-L9 WeakPolarHBondContact O-CB 3.05Å; D5-L9 PolarHBondContact O-N 3.45Å; D5-L9 VanDerWaalsContact O-N 3.1Å
6I80.8Confident81.5Confident6 Ų668.6 Ų68.63%0.03138%0.375CS..Hα-helixtrans-67.5-46.1179.9-59.4164000109.6M1 S2 I3 A4 L9 F10 L62 T63 L66M1-I6 HydrophobicContact CG-CG1 4.38Å; S2-I6 WeakPolarHBondContact O-CG1 3.24Å; S2-I6 PolarHBondContact O-N 3.29Å; I3-I6 PolarHBondContact O-N 3.39Å; A4-I6 PolarHBondContact O-N 3.16Å; I6-L9 PolarHBondContact O-N 2.75Å; I6-F10 WeakPolarHBondContact O-CB 3.46Å; I6-F10 PolarHBondContact O-N 3.44Å; I6-L62 HydrophobicContact CG2-CB 4.32Å; I6-L62 HydrophobicContact CG2-CD2 3.87Å; I6-L62 HydrophobicContact CG2-CG 3.99Å; I6-T63 HydrophobicContact CD1-CG2 3.79Å; I6-L66 HydrophobicContact CB-CD1 4.33Å; I6-L66 HydrophobicContact CG1-CD1 3.66Å; I6-L66 HydrophobicContact CG2-CD1 4.19Å
7T83.8Confident81.5Confident70 Ų7073.2 Ų73.243%0.42939%0.393SS..Hα-helixtrans-63.9-40.8178.1-59.50000112.1I3 A4 L9 F10 G11I3-T7 WeakPolarHBondContact O-CB 3.15Å; I3-T7 PolarHBondContact O-N 3.03Å; I3-T7 PolarHBondContact O-OG1 2.95Å; A4-T7 PolarHBondContact O-N 3.36Å; T7-L9 VanDerWaalsContact C-N 3.3Å; T7-L9 PolarHBondContact O-N 2.79Å; T7-F10 PolarHBondContact O-N 3.44Å; T7-G11 PolarHBondContact O-N 3.24Å
8E84.7Confident81.8Confident123 Ų12373.5 Ų73.558%0.57540%0.395SS*.Hα-helixtrans-62-41.5175.3-76.5-170.881.400111.8A4 K12A4-E8 WeakPolarHBondContact O-CG 3.21Å; A4-E8 PolarHBondContact O-N 2.85Å; E8-K12 WeakPolarHBondContact O-CG 3.48Å; E8-K12 PolarHBondContact O-N 2.98Å; E8-K12 VanDerWaalsContact O-N 3.17Å
9L81.7Confident82Confident28 Ų2871.3 Ų71.315%0.14739%0.391CS..Hα-helixtrans-71.7-39.2178.5-173.155.4000112.1D5 I6 T7 K12 L13 L66 I72D5-L9 VanDerWaalsContact O-CB 3.23Å; D5-L9 WeakPolarHBondContact O-CB 3.05Å; D5-L9 PolarHBondContact O-N 3.45Å; D5-L9 VanDerWaalsContact O-N 3.1Å; I6-L9 PolarHBondContact O-N 2.75Å; T7-L9 VanDerWaalsContact C-N 3.3Å; T7-L9 PolarHBondContact O-N 2.79Å; L9-K12 WeakPolarHBondContact O-CB 3.37Å; L9-K12 PolarHBondContact O-N 3.11Å; L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 2.73Å; L9-L66 HydrophobicContact CD2-CD1 4.14Å; L9-I72 HydrophobicContact CD1-CD1 3.6Å; L9-I72 HydrophobicContact CD1-CG1 3.98Å; L9-I72 HydrophobicContact CD2-CD1 3.16Å; L9-I72 HydrophobicContact CD2-CG1 3.2Å; L9-I72 HydrophobicContact CG-CD1 3.25Å; L9-I72 HydrophobicContact CG-CG1 3.83Å
10F84.6Confident82.3Confident10 Ų1070.6 Ų70.64%0.04439%0.386CS..Hα-helixtrans-60.5-49.5173.6-168.7-89.3000110.7I6 T7 K12 L13 D14 G19 V21 I57 L59 L62I6-F10 WeakPolarHBondContact O-CB 3.46Å; I6-F10 PolarHBondContact O-N 3.44Å; T7-F10 PolarHBondContact O-N 3.44Å; F10-K12 PolarHBondContact O-N 2.92Å; F10-L13 CarbonylContact O-C 3.15Å; F10-L13 PolarHBondContact O-N 3.44Å; F10-D14 HydrophobicContact CD1-CB 3.98Å; F10-D14 HydrophobicContact CE1-CB 3.71Å; F10-D14 WeakPolarHBondContact CE1-OD2 3.4Å; F10-D14 HydrophobicContact CZ-CB 4.39Å; F10-D14 VanDerWaalsContact O-CB 3.31Å; F10-D14 WeakPolarHBondContact O-CB 3.49Å; F10-D14 PolarHBondContact O-N 2.82Å; F10-G19 WeakPolarHBondContact CZ-O 3.36Å; F10-V21 HydrophobicContact CD1-CG2 4.43Å; F10-V21 HydrophobicContact CD2-CG2 3.82Å; F10-V21 HydrophobicContact CE1-CG2 4.09Å; F10-V21 HydrophobicContact CE2-CB 4.2Å; F10-V21 HydrophobicContact CE2-CG2 3.47Å; F10-V21 VanDerWaalsContact CE2-CG2 3.47Å; F10-V21 HydrophobicContact CG-CG2 4.27Å; F10-V21 HydrophobicContact CZ-CB 4.43Å; F10-V21 HydrophobicContact CZ-CG2 3.59Å; F10-I57 WeakPolarHBondContact CE2-O 3.16Å; F10-L59 HydrophobicContact CB-CD2 3.49Å; F10-L59 VanDerWaalsContact CB-CD2 3.49Å; F10-L59 HydrophobicContact CD1-CD2 3.67Å; F10-L59 HydrophobicContact CD1-CG 4.03Å; F10-L59 HydrophobicContact CD2-CD2 3.48Å; F10-L59 VanDerWaalsContact CD2-CD2 3.48Å; F10-L59 HydrophobicContact CD2-CG 3.89Å; F10-L59 HydrophobicContact CE1-CD2 4.29Å; F10-L59 HydrophobicContact CE1-CG 4.15Å; F10-L59 HydrophobicContact CE2-CD2 4.1Å; F10-L59 HydrophobicContact CE2-CG 3.99Å; F10-L59 HydrophobicContact CG-CD2 3.23Å; F10-L59 HydrophobicContact CG-CG 3.92Å; F10-L59 HydrophobicContact CZ-CD2 4.48Å; F10-L59 HydrophobicContact CZ-CG 4.13Å; F10-L62 HydrophobicContact CB-CD2 4.05Å; F10-L62 HydrophobicContact CD2-CD2 3.85Å; F10-L62 HydrophobicContact CG-CD2 4.48Å
11G84.2Confident82.5Confident40 Ų4067.3 Ų67.341%0.41237%0.368SS..Hα-helixtrans-64.3-24.2176.800000114.1T7T7-G11 PolarHBondContact O-N 3.24Å
12K83.2Confident83.8Confident117 Ų11761.4 Ų61.451%0.50934%0.342SS..Hα-helixtrans-72.2-33.3171-76.4170.9-176.4170.40112.6E8 L9 F10 Y29E8-K12 WeakPolarHBondContact O-CG 3.48Å; E8-K12 PolarHBondContact O-N 2.98Å; E8-K12 VanDerWaalsContact O-N 3.17Å; L9-K12 WeakPolarHBondContact O-CB 3.37Å; L9-K12 PolarHBondContact O-N 3.11Å; F10-K12 PolarHBondContact O-N 2.92Å; K12-Y29 HydrophobicContact CB-CE2 4.07Å; K12-Y29 VanDerWaalsContact O-CD2 3.24Å; K12-Y29 WeakPolarHBondContact O-CD2 3.26Å
13L83.2Confident84.1Confident13 Ų1360.9 Ų60.97%0.06833%0.33CS..Hα-helixtrans-85.9-43.2180-66.1173.4000111.9L9 F10 K15 V21 Y29 I72L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 2.73Å; F10-L13 CarbonylContact O-C 3.15Å; F10-L13 PolarHBondContact O-N 3.44Å; L13-K15 PolarHBondContact O-N 2.86Å; L13-V21 HydrophobicContact CB-CB 4.48Å; L13-V21 HydrophobicContact CB-CG1 3.78Å; L13-V21 HydrophobicContact CB-CG2 3.77Å; L13-V21 HydrophobicContact CD1-CG1 4.48Å; L13-Y29 HydrophobicContact CD2-CD1 3.46Å; L13-Y29 VanDerWaalsContact CD2-CD1 3.46Å; L13-Y29 HydrophobicContact CD2-CD2 4.08Å; L13-Y29 HydrophobicContact CD2-CE1 3.98Å; L13-Y29 HydrophobicContact CD2-CG 3.52Å; L13-I72 HydrophobicContact CD1-CD1 3.74Å
14D87.3Confident84.3Confident6 Ų662.8 Ų62.83%0.03233%0.334CS..  trans-76.585.5-179.9-175.34.6000109.9F10 N16 H17 N18 G19 V21F10-D14 HydrophobicContact CD1-CB 3.98Å; F10-D14 HydrophobicContact CE1-CB 3.71Å; F10-D14 WeakPolarHBondContact CE1-OD2 3.4Å; F10-D14 HydrophobicContact CZ-CB 4.39Å; F10-D14 VanDerWaalsContact O-CB 3.31Å; F10-D14 WeakPolarHBondContact O-CB 3.49Å; F10-D14 PolarHBondContact O-N 2.82Å; D14-N16 VanDerWaalsContact C-N 3.26Å; D14-N16 PolarHBondContact O-N 3.39Å; D14-N16 PolarHBondContact OD1-N 3.11Å; D14-N16 PolarHBondContact OD1-OD1 3.47Å; D14-H17 VanDerWaalsContact CG-N 3.34Å; D14-H17 PolarHBondContact O-CE1 2.84Å; D14-H17 VanDerWaalsContact O-CE1 3.27Å; D14-H17 PolarHBondContact O-ND1 2.75Å; D14-H17 WeakPolarHBondContact OD1-CA 3.47Å; D14-H17 PolarHBondContact OD1-N 3.44Å; D14-H17 WeakPolarHBondContact OD2-CA 3.36Å; D14-N18 PolarHBondContact OD1-N 3.24Å; D14-N18 PolarHBondContact OD1-OD1 2.91Å; D14-N18 PolarHBondContact OD2-N 2.78Å; D14-N18 PolarHBondContact OD2-OD1 3.4Å; D14-G19 PolarHBondContact OD2-N 3.39Å; D14-V21 HydrophobicContact CB-CG2 3.71Å
15K82.4Confident84.4Confident120 Ų12060.7 Ų60.752%0.52231%0.313SS..SBendtrans-71.8-25.8178.4-70.8-165.7175.8-1670112.4L13 H17 E25L13-K15 PolarHBondContact O-N 2.86Å; K15-H17 PolarHBondContact O-ND1 2.84Å; K15-E25 PolarHBondContact N-OE1 3.27Å
16N85.4Confident84.4Confident87 Ų8757.8 Ų57.847%0.46530%0.298SS..SBendtrans-92.4-12.3-174.779.949.2000112.6D14 N18 E25D14-N16 VanDerWaalsContact C-N 3.26Å; D14-N16 PolarHBondContact O-N 3.39Å; D14-N16 PolarHBondContact OD1-N 3.11Å; D14-N16 PolarHBondContact OD1-OD1 3.47Å; N16-N18 VanDerWaalsContact C-N 3.29Å; N16-N18 PolarHBondContact ND2-ND2 3.24Å; N16-N18 PolarHBondContact O-N 2.85Å; N16-N18 WeakPolarHBondContact OD1-CA 3.2Å; N16-N18 WeakPolarHBondContact OD1-CB 3.48Å; N16-N18 PolarHBondContact OD1-N 3.07Å; N16-N18 PolarHBondContact OD1-ND2 3.29Å; N16-N18 PolarHBondContact OD1-OD1 2.79Å; N16-E25 VanDerWaalsContact CG-OE1 3.27Å; N16-E25 PolarHBondContact N-OE1 2.96Å; N16-E25 PolarHBondContact ND2-OE1 2.72Å; N16-E25 PolarHBondContact ND2-OE2 3.36Å
17H81.6Confident84.3Confident147 Ų14760.8 Ų60.868%0.68131%0.311SS*.  trans61.332.4177.6-58.317.4000113.2D14 K15 G19D14-H17 VanDerWaalsContact CG-N 3.34Å; D14-H17 PolarHBondContact O-CE1 2.84Å; D14-H17 VanDerWaalsContact O-CE1 3.27Å; D14-H17 PolarHBondContact O-ND1 2.75Å; D14-H17 WeakPolarHBondContact OD1-CA 3.47Å; D14-H17 PolarHBondContact OD1-N 3.44Å; D14-H17 WeakPolarHBondContact OD2-CA 3.36Å; K15-H17 PolarHBondContact O-ND1 2.84Å; H17-G19 VanDerWaalsContact C-N 3.31Å
18N86.6Confident84.3Confident78 Ų7859.4 Ų59.442%0.41731%0.306SS..SBendtrans-81.7-8.3175.464.5-9.6000113D14 N16 L20D14-N18 PolarHBondContact OD1-N 3.24Å; D14-N18 PolarHBondContact OD1-OD1 2.91Å; D14-N18 PolarHBondContact OD2-N 2.78Å; D14-N18 PolarHBondContact OD2-OD1 3.4Å; N16-N18 VanDerWaalsContact C-N 3.29Å; N16-N18 PolarHBondContact ND2-ND2 3.24Å; N16-N18 PolarHBondContact O-N 2.85Å; N16-N18 WeakPolarHBondContact OD1-CA 3.2Å; N16-N18 WeakPolarHBondContact OD1-CB 3.48Å; N16-N18 PolarHBondContact OD1-N 3.07Å; N16-N18 PolarHBondContact OD1-ND2 3.29Å; N16-N18 PolarHBondContact OD1-OD1 2.79Å; N18-L20 VanDerWaalsContact C-N 3.3Å; N18-L20 PolarHBondContact ND2-O 3.41Å; N18-L20 VanDerWaalsContact OD1-C 3.31Å; N18-L20 WeakPolarHBondContact OD1-CA 3.49Å; N18-L20 PolarHBondContact OD1-N 3.2Å; N18-L20 PolarHBondContact OD1-O 2.78Å
19G85.7Confident84Confident31 Ų3155.9 Ų55.932%0.3229%0.288SS..SBendtrans80.88.7-173.700000114F10 D14 H17F10-G19 WeakPolarHBondContact CZ-O 3.36Å; D14-G19 PolarHBondContact OD2-N 3.39Å; H17-G19 VanDerWaalsContact C-N 3.31Å
20L88.1Confident83.7Confident58 Ų5855.3 Ų55.330%0.30429%0.285SS..EExtended strand (participates in β ladder)trans-140.3112.4178.7-62.8172000111.4N18 S22 Q56N18-L20 VanDerWaalsContact C-N 3.3Å; N18-L20 PolarHBondContact ND2-O 3.41Å; N18-L20 VanDerWaalsContact OD1-C 3.31Å; N18-L20 WeakPolarHBondContact OD1-CA 3.49Å; N18-L20 PolarHBondContact OD1-N 3.2Å; N18-L20 PolarHBondContact OD1-O 2.78Å; L20-S22 PolarHBondContact O-N 3.06Å; L20-Q56 HydrophobicContact CB-CB 4.34Å
21V87.4Confident83.2Confident1 Ų163.4 Ų63.41%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-83.7109.2-179.2175.30000110.3F10 L13 D14 E25 I26 Q56 I57F10-V21 HydrophobicContact CD1-CG2 4.43Å; F10-V21 HydrophobicContact CD2-CG2 3.82Å; F10-V21 HydrophobicContact CE1-CG2 4.09Å; F10-V21 HydrophobicContact CE2-CB 4.2Å; F10-V21 HydrophobicContact CE2-CG2 3.47Å; F10-V21 VanDerWaalsContact CE2-CG2 3.47Å; F10-V21 HydrophobicContact CG-CG2 4.27Å; F10-V21 HydrophobicContact CZ-CB 4.43Å; F10-V21 HydrophobicContact CZ-CG2 3.59Å; L13-V21 HydrophobicContact CB-CB 4.48Å; L13-V21 HydrophobicContact CB-CG1 3.78Å; L13-V21 HydrophobicContact CB-CG2 3.77Å; L13-V21 HydrophobicContact CD1-CG1 4.48Å; D14-V21 HydrophobicContact CB-CG2 3.71Å; V21-E25 HydrophobicContact CG1-CB 4.35Å; V21-I26 HydrophobicContact CG1-CD1 3.66Å; V21-I26 HydrophobicContact CG1-CG1 3.32Å; V21-Q56 CarbonylContact O-C 3.54Å; V21-Q56 WeakPolarHBondContact O-CA 3.43Å; V21-I57 HydrophobicContact CB-CB 4.27Å; V21-I57 PolarHBondContact N-O 3.25Å; V21-I57 PolarHBondContact O-N 2.84Å
22S86.1Confident82.7Confident22 Ų2265.7 Ų65.715%0.15433%0.325CS..EExtended strand (participates in β ladder)trans-76.4158.2176.770.30000113.4L20 K24 E25 I26L20-S22 PolarHBondContact O-N 3.06Å; S22-K24 PolarHBondContact O-N 3.44Å; S22-K24 PolarHBondContact OG-N 2.8Å; S22-E25 PolarHBondContact N-OE2 3.34Å; S22-E25 PolarHBondContact O-N 3.47Å; S22-E25 PolarHBondContact OG-N 3.24Å; S22-E25 PolarHBondContact OG-OE2 3.34Å; S22-I26 PolarHBondContact O-N 3.14Å; S22-I26 VanDerWaalsContact O-N 3.14Å
23Q83.6Confident82Confident64 Ų6464 Ų6430%0.29932%0.322SS..Hα-helixtrans-50.2-31.8168.9-76.7-178.352.700113.4K27 V46 G55Q23-K27 VanDerWaalsContact O-CB 3.31Å; Q23-K27 WeakPolarHBondContact O-CB 2.92Å; Q23-K27 PolarHBondContact O-N 3.35Å; Q23-K27 VanDerWaalsContact O-N 3.08Å; Q23-V46 HydrophobicContact CG-CB 3.88Å; Q23-V46 HydrophobicContact CG-CG1 3.39Å; Q23-V46 HydrophobicContact CG-CG2 4.05Å; Q23-G55 PolarHBondContact N-O 3.18Å
24K84.9Confident80.8Confident172 Ų17268.7 Ų68.775%0.74836%0.356SS*.Hα-helixtrans-69.2-39.2178.8-68.1177.6-177.3170.60111.6S22 K27 A28S22-K24 PolarHBondContact O-N 3.44Å; S22-K24 PolarHBondContact OG-N 2.8Å; K24-K27 PolarHBondContact O-N 3.42Å; K24-A28 WeakPolarHBondContact O-CB 3.31Å; K24-A28 PolarHBondContact O-N 3.18Å
25E85.7Confident79.4Confident17 Ų1769.9 Ų69.98%0.07936%0.363CS..Hα-helixtrans-72.1-40.4-180-73.2170.2113.200111.9K15 N16 V21 S22 K27 A28 Y29K15-E25 PolarHBondContact N-OE1 3.27Å; N16-E25 VanDerWaalsContact CG-OE1 3.27Å; N16-E25 PolarHBondContact N-OE1 2.96Å; N16-E25 PolarHBondContact ND2-OE1 2.72Å; N16-E25 PolarHBondContact ND2-OE2 3.36Å; V21-E25 HydrophobicContact CG1-CB 4.35Å; S22-E25 PolarHBondContact N-OE2 3.34Å; S22-E25 PolarHBondContact O-N 3.47Å; S22-E25 PolarHBondContact OG-N 3.24Å; S22-E25 PolarHBondContact OG-OE2 3.34Å; E25-K27 VanDerWaalsContact C-N 3.31Å; E25-K27 PolarHBondContact O-N 2.96Å; E25-A28 CarbonylContact O-C 3.51Å; E25-A28 WeakPolarHBondContact O-CA 3.42Å; E25-A28 WeakPolarHBondContact O-CB 3.43Å; E25-A28 PolarHBondContact O-N 2.87Å; E25-A28 VanDerWaalsContact O-N 3.08Å; E25-Y29 WeakPolarHBondContact O-CB 3.35Å; E25-Y29 PolarHBondContact O-N 3.03Å
26I80.8Confident78.2Confident3 Ų374 Ų742%0.01538%0.381CS..Hα-helixtrans-61.4-45.7173.6-61.2170000109.6V21 S22 A28 Y29 L30 V42 F45 V46 I57V21-I26 HydrophobicContact CG1-CD1 3.66Å; V21-I26 HydrophobicContact CG1-CG1 3.32Å; S22-I26 PolarHBondContact O-N 3.14Å; S22-I26 VanDerWaalsContact O-N 3.14Å; I26-A28 VanDerWaalsContact C-N 3.29Å; I26-A28 PolarHBondContact O-N 3.46Å; I26-Y29 PolarHBondContact O-N 3.08Å; I26-L30 HydrophobicContact CG2-CD1 3.84Å; I26-L30 HydrophobicContact CG2-CG 4.29Å; I26-L30 WeakPolarHBondContact O-CB 3.26Å; I26-L30 VanDerWaalsContact O-CG 3.25Å; I26-L30 WeakPolarHBondContact O-CG 3.45Å; I26-L30 PolarHBondContact O-N 3.44Å; I26-V42 HydrophobicContact CB-CG1 4.3Å; I26-V42 HydrophobicContact CG2-CG1 3.78Å; I26-F45 HydrophobicContact CG2-CD1 4.47Å; I26-V46 HydrophobicContact CB-CG2 4.32Å; I26-V46 HydrophobicContact CD1-CG2 3.39Å; I26-V46 HydrophobicContact CG1-CG2 4.42Å; I26-V46 HydrophobicContact CG2-CG2 4.21Å; I26-I57 HydrophobicContact CD1-CD1 3.34Å; I26-I57 HydrophobicContact CD1-CG1 4.24Å
27K80Confident77.3Confident70 Ų7072 Ų7230%0.30437%0.367SS..Hα-helixtrans-58.7-41.4173.9-173.9-178.5-61.8-176.90111.8Q23 K24 E25 R31 C39 V42Q23-K27 VanDerWaalsContact O-CB 3.31Å; Q23-K27 WeakPolarHBondContact O-CB 2.92Å; Q23-K27 PolarHBondContact O-N 3.35Å; Q23-K27 VanDerWaalsContact O-N 3.08Å; K24-K27 PolarHBondContact O-N 3.42Å; E25-K27 VanDerWaalsContact C-N 3.31Å; E25-K27 PolarHBondContact O-N 2.96Å; K27-R31 WeakPolarHBondContact O-CB 3.41Å; K27-R31 VanDerWaalsContact O-CG 3.28Å; K27-R31 WeakPolarHBondContact O-CG 3.27Å; K27-R31 PolarHBondContact O-N 3.25Å; K27-C39 PolarHBondContact NZ-SG 2.88Å; K27-C39 VanDerWaalsContact NZ-SG 3.41Å; K27-V42 HydrophobicContact CB-CG1 4.37Å
28A82.6Confident76.7Confident40 Ų4070.2 Ų70.233%0.33136%0.363SS..Hα-helixtrans-67.3-41.4177.900000112.2K24 E25 I26 S32K24-A28 WeakPolarHBondContact O-CB 3.31Å; K24-A28 PolarHBondContact O-N 3.18Å; E25-A28 CarbonylContact O-C 3.51Å; E25-A28 WeakPolarHBondContact O-CA 3.42Å; E25-A28 WeakPolarHBondContact O-CB 3.43Å; E25-A28 PolarHBondContact O-N 2.87Å; E25-A28 VanDerWaalsContact O-N 3.08Å; I26-A28 VanDerWaalsContact C-N 3.29Å; I26-A28 PolarHBondContact O-N 3.46Å; A28-S32 WeakPolarHBondContact O-CB 3.13Å; A28-S32 PolarHBondContact O-N 3.48Å
29Y79.7Confident76Confident50 Ų5069.1 Ų69.120%0.19636%0.361CS..Hα-helixtrans-62.3-49.8175.8-179.9-95.3000111.2K12 L13 E25 I26 R31 S32 N33K12-Y29 HydrophobicContact CB-CE2 4.07Å; K12-Y29 VanDerWaalsContact O-CD2 3.24Å; K12-Y29 WeakPolarHBondContact O-CD2 3.26Å; L13-Y29 HydrophobicContact CD2-CD1 3.46Å; L13-Y29 VanDerWaalsContact CD2-CD1 3.46Å; L13-Y29 HydrophobicContact CD2-CD2 4.08Å; L13-Y29 HydrophobicContact CD2-CE1 3.98Å; L13-Y29 HydrophobicContact CD2-CG 3.52Å; E25-Y29 WeakPolarHBondContact O-CB 3.35Å; E25-Y29 PolarHBondContact O-N 3.03Å; I26-Y29 PolarHBondContact O-N 3.08Å; Y29-R31 VanDerWaalsContact C-N 3.35Å; Y29-R31 PolarHBondContact O-N 3.01Å; Y29-S32 CarbonylContact O-C 3.6Å; Y29-S32 WeakPolarHBondContact O-CA 3.46Å; Y29-S32 WeakPolarHBondContact O-CB 3.36Å; Y29-S32 PolarHBondContact O-N 3.39Å; Y29-N33 WeakPolarHBondContact O-CB 3.38Å; Y29-N33 PolarHBondContact O-N 2.9Å
30L75.7Confident75.7Confident15 Ų1574.4 Ų74.48%0.07938%0.375CS..Hα-helixtrans-63.8-37.7178.9-68.9176000112.7I26 S32 T35 Y37 V42I26-L30 HydrophobicContact CG2-CD1 3.84Å; I26-L30 HydrophobicContact CG2-CG 4.29Å; I26-L30 WeakPolarHBondContact O-CB 3.26Å; I26-L30 VanDerWaalsContact O-CG 3.25Å; I26-L30 WeakPolarHBondContact O-CG 3.45Å; I26-L30 PolarHBondContact O-N 3.44Å; L30-S32 VanDerWaalsContact C-N 3.34Å; L30-T35 PolarHBondContact O-N 2.8Å; L30-T35 PolarHBondContact O-OG1 2.89Å; L30-Y37 HydrophobicContact CB-CD2 4.07Å; L30-Y37 HydrophobicContact CD1-CD2 3.94Å; L30-Y37 HydrophobicContact CD1-CG 4.45Å; L30-Y37 HydrophobicContact CD2-CD2 3.68Å; L30-Y37 HydrophobicContact CD2-CE2 3.83Å; L30-Y37 HydrophobicContact CG-CD2 4.09Å; L30-V42 HydrophobicContact CD1-CB 4.26Å; L30-V42 HydrophobicContact CD1-CG1 4.01Å; L30-V42 HydrophobicContact CD1-CG2 3.46Å; L30-V42 VanDerWaalsContact CD1-CG2 3.46Å
31R73.7Confident75.2Confident180 Ų18075.8 Ų75.868%0.67938%0.38SS*.Hα-helixtrans-63-41.3170.6-80.4-178-179.7-164-0.1112K27 Y29K27-R31 WeakPolarHBondContact O-CB 3.41Å; K27-R31 VanDerWaalsContact O-CG 3.28Å; K27-R31 WeakPolarHBondContact O-CG 3.27Å; K27-R31 PolarHBondContact O-N 3.25Å; Y29-R31 VanDerWaalsContact C-N 3.35Å; Y29-R31 PolarHBondContact O-N 3.01Å
32S73.6Confident74.6Confident88 Ų8876 Ų7662%0.61538%0.381SS*.Hα-helixtrans-69.2-33.8-179.5-164.50000112.4A28 Y29 L30 S34A28-S32 WeakPolarHBondContact O-CB 3.13Å; A28-S32 PolarHBondContact O-N 3.48Å; Y29-S32 CarbonylContact O-C 3.6Å; Y29-S32 WeakPolarHBondContact O-CA 3.46Å; Y29-S32 WeakPolarHBondContact O-CB 3.36Å; Y29-S32 PolarHBondContact O-N 3.39Å; L30-S32 VanDerWaalsContact C-N 3.34Å; S32-S34 PolarHBondContact O-N 2.85Å
33N67.9Low74.4Confident82 Ų8281.6 Ų81.644%0.43940%0.402SS..THydrogen-bonded Turntrans-84.923.3-178-156.172.9000113Y29 T35Y29-N33 WeakPolarHBondContact O-CB 3.38Å; Y29-N33 PolarHBondContact O-N 2.9Å; N33-T35 PolarHBondContact O-N 3.28Å
34S58.3Low74.2Confident112 Ų11283.7 Ų83.778%0.78341%0.412SS*.THydrogen-bonded Turntrans57.411.7177.2-64.60000116.3S32S32-S34 PolarHBondContact O-N 2.85Å
35T58.7Low73.9Confident30 Ų3077.1 Ų77.118%0.18438%0.384CS..  trans-85.6121.4175.843.70000110.6L30 N33 Y37L30-T35 PolarHBondContact O-N 2.8Å; L30-T35 PolarHBondContact O-OG1 2.89Å; N33-T35 PolarHBondContact O-N 3.28Å; T35-Y37 HydrophobicContact CG2-CD2 4.28Å; T35-Y37 HydrophobicContact CG2-CE2 3.52Å; T35-Y37 PolarHBondContact O-N 2.95Å; T35-Y37 VanDerWaalsContact OG1-CD2 3.27Å; T35-Y37 WeakPolarHBondContact OG1-CD2 3.42Å; T35-Y37 VanDerWaalsContact OG1-CE2 3.24Å; T35-Y37 WeakPolarHBondContact OG1-CE2 3.07Å
36K57Low73.6Confident208 Ų20876.3 Ų76.390%0.90438%0.38SS*.  trans-74.847.3177-63.8179.4-179.1170.30112N38K36-N38 PolarHBondContact O-N 2.85Å
37Y65.1Low73.7Confident43 Ų4378.6 Ų78.617%0.16940%0.404CS..  trans-69.2129.7173.4-66.2-60.1000109.8L30 T35 E41 A75 C76 L78L30-Y37 HydrophobicContact CB-CD2 4.07Å; L30-Y37 HydrophobicContact CD1-CD2 3.94Å; L30-Y37 HydrophobicContact CD1-CG 4.45Å; L30-Y37 HydrophobicContact CD2-CD2 3.68Å; L30-Y37 HydrophobicContact CD2-CE2 3.83Å; L30-Y37 HydrophobicContact CG-CD2 4.09Å; T35-Y37 HydrophobicContact CG2-CD2 4.28Å; T35-Y37 HydrophobicContact CG2-CE2 3.52Å; T35-Y37 PolarHBondContact O-N 2.95Å; T35-Y37 VanDerWaalsContact OG1-CD2 3.27Å; T35-Y37 WeakPolarHBondContact OG1-CD2 3.42Å; T35-Y37 VanDerWaalsContact OG1-CE2 3.24Å; T35-Y37 WeakPolarHBondContact OG1-CE2 3.07Å; Y37-E41 HydrophobicContact CD1-CB 4.46Å; Y37-A75 WeakPolarHBondContact CE2-O 3.48Å; Y37-A75 PolarHBondContact OH-O 3.26Å; Y37-C76 PolarHBondContact OH-O 3.23Å; Y37-L78 HydrophobicContact CD1-CD1 4.47Å; Y37-L78 HydrophobicContact CE1-CB 3.87Å; Y37-L78 HydrophobicContact CE1-CD1 3.69Å; Y37-L78 HydrophobicContact CE1-CG 4.44Å; Y37-L78 WeakPolarHBondContact OH-CB 3.48Å
38N69.5Low73.7Confident110 Ų11082.6 Ų82.659%0.58842%0.421SS*.  trans-74.1155174.8-152.9-2000109.8K36 K40 E41 V42K36-N38 PolarHBondContact O-N 2.85Å; N38-K40 PolarHBondContact O-N 3.41Å; N38-E41 WeakPolarHBondContact CB-OE2 3.27Å; N38-E41 PolarHBondContact N-OE2 3.24Å; N38-E41 PolarHBondContact O-N 2.65Å; N38-V42 PolarHBondContact O-N 3.29Å
39C73Confident73.8Confident56 Ų5681 Ų8138%0.37841%0.407SS..Hα-helixtrans-55.4-27.5-179.1-70.80000112.8K27 K43K27-C39 PolarHBondContact NZ-SG 2.88Å; K27-C39 VanDerWaalsContact NZ-SG 3.41Å; C39-K43 WeakPolarHBondContact O-CB 3.44Å; C39-K43 PolarHBondContact O-N 2.9Å; C39-K43 VanDerWaalsContact O-N 3.11Å
40K78.3Confident74.1Confident141 Ų14179 Ų7961%0.61340%0.4SS*.Hα-helixtrans-68.1-47.7176.3-171.7-178.2174.7-1770112.4N38 V42 K43 E44N38-K40 PolarHBondContact O-N 3.41Å; K40-V42 VanDerWaalsContact C-N 3.32Å; K40-V42 PolarHBondContact O-N 2.93Å; K40-K43 WeakPolarHBondContact O-CB 3.39Å; K40-K43 PolarHBondContact O-N 2.84Å; K40-K43 VanDerWaalsContact O-N 3.11Å; K40-E44 WeakPolarHBondContact CE-OE2 3.36Å; K40-E44 WeakPolarHBondContact O-CG 3.28Å; K40-E44 PolarHBondContact O-N 3Å
41E77.1Confident74.3Confident88 Ų8884.9 Ų84.941%0.41143%0.432SS..Hα-helixtrans-63.3-41.8-179.6-67.3167.993.300111.1Y37 N38 K43 E44 F45Y37-E41 HydrophobicContact CD1-CB 4.46Å; N38-E41 WeakPolarHBondContact CB-OE2 3.27Å; N38-E41 PolarHBondContact N-OE2 3.24Å; N38-E41 PolarHBondContact O-N 2.65Å; E41-K43 VanDerWaalsContact C-N 3.32Å; E41-K43 PolarHBondContact O-N 2.88Å; E41-E44 PolarHBondContact O-N 3.26Å; E41-F45 VanDerWaalsContact O-CB 3.26Å; E41-F45 WeakPolarHBondContact O-CB 3.44Å; E41-F45 PolarHBondContact O-N 3.45Å
42V76.4Confident74.7Confident6 Ų680.3 Ų80.34%0.03642%0.421CS..Hα-helixtrans-60.3-45.4173.6-175.20000110.5I26 K27 L30 N38 K40 F45 V46I26-V42 HydrophobicContact CB-CG1 4.3Å; I26-V42 HydrophobicContact CG2-CG1 3.78Å; K27-V42 HydrophobicContact CB-CG1 4.37Å; L30-V42 HydrophobicContact CD1-CB 4.26Å; L30-V42 HydrophobicContact CD1-CG1 4.01Å; L30-V42 HydrophobicContact CD1-CG2 3.46Å; L30-V42 VanDerWaalsContact CD1-CG2 3.46Å; N38-V42 PolarHBondContact O-N 3.29Å; K40-V42 VanDerWaalsContact C-N 3.32Å; K40-V42 PolarHBondContact O-N 2.93Å; V42-F45 PolarHBondContact O-N 3.4Å; V42-V46 HydrophobicContact CG1-CG2 4.26Å; V42-V46 VanDerWaalsContact O-CG2 3.26Å; V42-V46 WeakPolarHBondContact O-CG2 3.49Å; V42-V46 PolarHBondContact O-N 2.86Å
43K80Confident74.9Confident138 Ų13880.8 Ų80.860%0.642%0.424SS*.Hα-helixtrans-64.3-42.2179.6-172.5178.5-178-178.60112.3C39 K40 E41 F45 V46 G47C39-K43 WeakPolarHBondContact O-CB 3.44Å; C39-K43 PolarHBondContact O-N 2.9Å; C39-K43 VanDerWaalsContact O-N 3.11Å; K40-K43 WeakPolarHBondContact O-CB 3.39Å; K40-K43 PolarHBondContact O-N 2.84Å; K40-K43 VanDerWaalsContact O-N 3.11Å; E41-K43 VanDerWaalsContact C-N 3.32Å; E41-K43 PolarHBondContact O-N 2.88Å; K43-F45 VanDerWaalsContact C-N 3.31Å; K43-V46 PolarHBondContact O-N 3.41Å; K43-G47 PolarHBondContact O-N 3.43Å
44E81Confident75.8Confident108 Ų10881 Ų8151%0.50543%0.425SS..Hα-helixtrans-65.1-37.3175.6-72.7-174.981.700111.8K40 E41 K48K40-E44 WeakPolarHBondContact CE-OE2 3.36Å; K40-E44 WeakPolarHBondContact O-CG 3.28Å; K40-E44 PolarHBondContact O-N 3Å; E41-E44 PolarHBondContact O-N 3.26Å; E44-K48 WeakPolarHBondContact O-CG 3.39Å; E44-K48 PolarHBondContact O-N 2.97Å
45F77Confident76.9Confident35 Ų3576.7 Ų76.715%0.15440%0.398CS..Hα-helixtrans-67.7-46175.3173.7-100.2000111.7I26 E41 V42 K43 K48 I49 L70 I72 A75I26-F45 HydrophobicContact CG2-CD1 4.47Å; E41-F45 VanDerWaalsContact O-CB 3.26Å; E41-F45 WeakPolarHBondContact O-CB 3.44Å; E41-F45 PolarHBondContact O-N 3.45Å; V42-F45 PolarHBondContact O-N 3.4Å; K43-F45 VanDerWaalsContact C-N 3.31Å; F45-K48 WeakPolarHBondContact O-CB 3.18Å; F45-K48 PolarHBondContact O-N 3.42Å; F45-I49 HydrophobicContact CD1-CD1 4.18Å; F45-I49 HydrophobicContact CE1-CD1 3.49Å; F45-I49 VanDerWaalsContact CE1-CD1 3.49Å; F45-I49 HydrophobicContact CE2-CD1 3.99Å; F45-I49 HydrophobicContact CZ-CD1 3.38Å; F45-L70 HydrophobicContact CD2-CD2 4.48Å; F45-L70 HydrophobicContact CE2-CD1 4.45Å; F45-L70 HydrophobicContact CE2-CD2 3.85Å; F45-L70 HydrophobicContact CE2-CG 4.17Å; F45-L70 HydrophobicContact CZ-CD2 4.39Å; F45-I72 HydrophobicContact CE1-CG2 4.49Å; F45-I72 HydrophobicContact CE2-CB 4.15Å; F45-I72 HydrophobicContact CE2-CG2 4.03Å; F45-I72 HydrophobicContact CZ-CB 3.53Å; F45-I72 HydrophobicContact CZ-CG2 3.43Å; F45-I72 VanDerWaalsContact CZ-CG2 3.43Å; F45-A75 HydrophobicContact CD2-CB 3.93Å; F45-A75 HydrophobicContact CE2-CB 3.68Å; F45-A75 HydrophobicContact CZ-CB 4.15Å
46V81.2Confident78.3Confident0 Ų078.5 Ų78.50%040%0.404CS..Hα-helixtrans-64.6-45.31771760000110.9Q23 I26 V42 K43 K48 I49 D50 I57Q23-V46 HydrophobicContact CG-CB 3.88Å; Q23-V46 HydrophobicContact CG-CG1 3.39Å; Q23-V46 HydrophobicContact CG-CG2 4.05Å; I26-V46 HydrophobicContact CB-CG2 4.32Å; I26-V46 HydrophobicContact CD1-CG2 3.39Å; I26-V46 HydrophobicContact CG1-CG2 4.42Å; I26-V46 HydrophobicContact CG2-CG2 4.21Å; V42-V46 HydrophobicContact CG1-CG2 4.26Å; V42-V46 VanDerWaalsContact O-CG2 3.26Å; V42-V46 WeakPolarHBondContact O-CG2 3.49Å; V42-V46 PolarHBondContact O-N 2.86Å; K43-V46 PolarHBondContact O-N 3.41Å; V46-K48 PolarHBondContact O-N 3.36Å; V46-K48 VanDerWaalsContact O-N 3.07Å; V46-I49 WeakPolarHBondContact O-CA 3.42Å; V46-I49 PolarHBondContact O-N 3.47Å; V46-D50 HydrophobicContact CG1-CB 3.93Å; V46-D50 WeakPolarHBondContact O-CB 3.38Å; V46-D50 PolarHBondContact O-N 2.8Å; V46-I57 HydrophobicContact CB-CD1 4.45Å; V46-I57 HydrophobicContact CG1-CD1 3.89Å; V46-I57 HydrophobicContact CG1-CG1 4.04Å; V46-I57 HydrophobicContact CG2-CD1 4.29Å
47G81.5Confident79.7Confident50 Ų5068.8 Ų68.852%0.51536%0.362SS..THydrogen-bonded Turntrans-64.4-12.4177.600000114.9K43K43-G47 PolarHBondContact O-N 3.43Å
48K81.7Confident80.8Confident154 Ų15467.8 Ų67.867%0.6736%0.362SS*.THydrogen-bonded Turntrans-82.7-18.3169.3-77.5176.1-177-178.60113.3E44 F45 V46E44-K48 WeakPolarHBondContact O-CG 3.39Å; E44-K48 PolarHBondContact O-N 2.97Å; F45-K48 WeakPolarHBondContact O-CB 3.18Å; F45-K48 PolarHBondContact O-N 3.42Å; V46-K48 PolarHBondContact O-N 3.36Å; V46-K48 VanDerWaalsContact O-N 3.07Å
49I83.4Confident81.6Confident7 Ų765.8 Ų65.84%0.03635%0.35CS..THydrogen-bonded Turntrans-103.3-45.2-178.3-57.8170.9000110.2F45 V46 D51 I57 E61 A65 L70 I72F45-I49 HydrophobicContact CD1-CD1 4.18Å; F45-I49 HydrophobicContact CE1-CD1 3.49Å; F45-I49 VanDerWaalsContact CE1-CD1 3.49Å; F45-I49 HydrophobicContact CE2-CD1 3.99Å; F45-I49 HydrophobicContact CZ-CD1 3.38Å; V46-I49 WeakPolarHBondContact O-CA 3.42Å; V46-I49 PolarHBondContact O-N 3.47Å; I49-D51 PolarHBondContact O-N 2.74Å; I49-I57 HydrophobicContact CB-CD1 3.8Å; I49-I57 HydrophobicContact CB-CG1 4.38Å; I49-I57 HydrophobicContact CD1-CD1 3.89Å; I49-I57 HydrophobicContact CG1-CD1 4.43Å; I49-I57 HydrophobicContact CG2-CB 4.39Å; I49-I57 HydrophobicContact CG2-CD1 3.72Å; I49-I57 HydrophobicContact CG2-CG1 4.05Å; I49-I57 HydrophobicContact CG2-CG2 3.52Å; I49-E61 HydrophobicContact CG2-CB 4.16Å; I49-A65 HydrophobicContact CB-CB 4.12Å; I49-A65 HydrophobicContact CG1-CB 3.73Å; I49-A65 HydrophobicContact CG2-CB 3.77Å; I49-L70 HydrophobicContact CD1-CD2 3.62Å; I49-L70 HydrophobicContact CG1-CD2 3.21Å; I49-I72 HydrophobicContact CD1-CG2 4.24Å
50D85.5Confident82.2Confident7 Ų770.5 Ų70.54%0.03737%0.367CS..  trans-71.274.6178.1-178.17000109.8V46 N52 S53 D54 G55V46-D50 HydrophobicContact CG1-CB 3.93Å; V46-D50 WeakPolarHBondContact O-CB 3.38Å; V46-D50 PolarHBondContact O-N 2.8Å; D50-N52 VanDerWaalsContact C-N 3.33Å; D50-N52 PolarHBondContact OD1-OD1 3.04Å; D50-S53 PolarHBondContact O-N 2.75Å; D50-S53 WeakPolarHBondContact OD1-CA 3.25Å; D50-S53 PolarHBondContact OD1-N 3.26Å; D50-D54 PolarHBondContact OD1-N 2.98Å; D50-D54 VanDerWaalsContact OD1-N 3.16Å; D50-G55 WeakPolarHBondContact OD2-CA 3.44Å; D50-G55 PolarHBondContact OD2-N 3Å
51D79.9Confident82.6Confident140 Ų14064.6 Ų64.675%0.74934%0.341SS*.SBendtrans-69-34.1178.2-171-120.6000110.9I49 S53I49-D51 PolarHBondContact O-N 2.74Å; D51-S53 VanDerWaalsContact C-N 3.27Å; D51-S53 PolarHBondContact O-N 3.08Å
52N83.3Confident82.9Confident84 Ų8460.5 Ų60.545%0.44932%0.322SS..SBendtrans-77.3-13.4178.278.520000113D50 D54 E61D50-N52 VanDerWaalsContact C-N 3.33Å; D50-N52 PolarHBondContact OD1-OD1 3.04Å; N52-D54 PolarHBondContact ND2-OD2 2.88Å; N52-D54 PolarHBondContact O-N 3.42Å; N52-D54 WeakPolarHBondContact OD1-CB 3.45Å; N52-D54 PolarHBondContact OD1-N 2.87Å; N52-D54 PolarHBondContact OD1-OD1 2.94Å; N52-D54 PolarHBondContact OD1-OD2 2.75Å; N52-E61 WeakPolarHBondContact CB-OE1 3.33Å; N52-E61 PolarHBondContact N-OE1 3.26Å; N52-E61 PolarHBondContact ND2-OE1 3.48Å; N52-E61 PolarHBondContact OD1-OE1 3.27Å
53S77.8Confident83.3Confident98 Ų9862.6 Ų62.669%0.68534%0.336SS*.  trans55.231.7-178.4-64.10000114.5D50 D51 G55D50-S53 PolarHBondContact O-N 2.75Å; D50-S53 WeakPolarHBondContact OD1-CA 3.25Å; D50-S53 PolarHBondContact OD1-N 3.26Å; D51-S53 VanDerWaalsContact C-N 3.27Å; D51-S53 PolarHBondContact O-N 3.08Å; S53-G55 VanDerWaalsContact C-N 3.26Å
54D86.3Confident83.5Confident87 Ų8763.2 Ų63.247%0.46534%0.338SS..SBendtrans-80.3-10.5175.375.39.5000112.3D50 N52 Q56D50-D54 PolarHBondContact OD1-N 2.98Å; D50-D54 VanDerWaalsContact OD1-N 3.16Å; N52-D54 PolarHBondContact ND2-OD2 2.88Å; N52-D54 PolarHBondContact O-N 3.42Å; N52-D54 WeakPolarHBondContact OD1-CB 3.45Å; N52-D54 PolarHBondContact OD1-N 2.87Å; N52-D54 PolarHBondContact OD1-OD1 2.94Å; N52-D54 PolarHBondContact OD1-OD2 2.75Å; D54-Q56 VanDerWaalsContact OD1-CA 3.24Å; D54-Q56 WeakPolarHBondContact OD1-CA 3.31Å; D54-Q56 WeakPolarHBondContact OD1-CB 3.42Å; D54-Q56 PolarHBondContact OD1-N 3.37Å
55G82.3Confident83.5Confident20 Ų2058.7 Ų58.721%0.20632%0.319CS..SBendtrans85.67.7-179.700000114.4Q23 D50 S53Q23-G55 PolarHBondContact N-O 3.18Å; D50-G55 WeakPolarHBondContact OD2-CA 3.44Å; D50-G55 PolarHBondContact OD2-N 3Å; S53-G55 VanDerWaalsContact C-N 3.26Å
56Q86.3Confident83.5Confident69 Ų6957.8 Ų57.832%0.32232%0.316SS..EExtended strand (participates in β ladder)trans-127158.7177.2-51.4-172.5-2.100109.2L20 V21 D54L20-Q56 HydrophobicContact CB-CB 4.34Å; V21-Q56 CarbonylContact O-C 3.54Å; V21-Q56 WeakPolarHBondContact O-CA 3.43Å; D54-Q56 VanDerWaalsContact OD1-CA 3.24Å; D54-Q56 WeakPolarHBondContact OD1-CA 3.31Å; D54-Q56 WeakPolarHBondContact OD1-CB 3.42Å; D54-Q56 PolarHBondContact OD1-N 3.37Å
57I87.3Confident83.5Confident4 Ų462.6 Ų62.62%0.02135%0.349CS..EExtended strand (participates in β ladder)trans-121.1114.3179.1-61.3-179000106.4F10 V21 I26 V46 I49 E61 L62F10-I57 WeakPolarHBondContact CE2-O 3.16Å; V21-I57 HydrophobicContact CB-CB 4.27Å; V21-I57 PolarHBondContact N-O 3.25Å; V21-I57 PolarHBondContact O-N 2.84Å; I26-I57 HydrophobicContact CD1-CD1 3.34Å; I26-I57 HydrophobicContact CD1-CG1 4.24Å; V46-I57 HydrophobicContact CB-CD1 4.45Å; V46-I57 HydrophobicContact CG1-CD1 3.89Å; V46-I57 HydrophobicContact CG1-CG1 4.04Å; V46-I57 HydrophobicContact CG2-CD1 4.29Å; I49-I57 HydrophobicContact CB-CD1 3.8Å; I49-I57 HydrophobicContact CB-CG1 4.38Å; I49-I57 HydrophobicContact CD1-CD1 3.89Å; I49-I57 HydrophobicContact CG1-CD1 4.43Å; I49-I57 HydrophobicContact CG2-CB 4.39Å; I49-I57 HydrophobicContact CG2-CD1 3.72Å; I49-I57 HydrophobicContact CG2-CG1 4.05Å; I49-I57 HydrophobicContact CG2-CG2 3.52Å; I57-E61 HydrophobicContact CG2-CB 4.18Å; I57-L62 HydrophobicContact CG2-CB 3.91Å
58S88.2Confident83Confident22 Ų2262.8 Ų62.815%0.15435%0.351CS..EExtended strand (participates in β ladder)trans-78162.8170.761.60000111.9E60 E61 L62S58-E60 PolarHBondContact O-N 3.5Å; S58-E61 WeakPolarHBondContact CB-OE2 3.47Å; S58-E61 PolarHBondContact N-OE2 3.28Å; S58-E61 PolarHBondContact O-N 2.66Å; S58-E61 WeakPolarHBondContact OG-CG 3.37Å; S58-E61 PolarHBondContact OG-N 3.38Å; S58-E61 PolarHBondContact OG-OE2 3.22Å; S58-L62 PolarHBondContact O-N 2.74Å
59L85.6Confident82.1Confident67 Ų6762.5 Ų62.535%0.35136%0.357SS..Hα-helixtrans-54.2-36.9171-79.1168.4000111.9F10 T63F10-L59 HydrophobicContact CB-CD2 3.49Å; F10-L59 VanDerWaalsContact CB-CD2 3.49Å; F10-L59 HydrophobicContact CD1-CD2 3.67Å; F10-L59 HydrophobicContact CD1-CG 4.03Å; F10-L59 HydrophobicContact CD2-CD2 3.48Å; F10-L59 VanDerWaalsContact CD2-CD2 3.48Å; F10-L59 HydrophobicContact CD2-CG 3.89Å; F10-L59 HydrophobicContact CE1-CD2 4.29Å; F10-L59 HydrophobicContact CE1-CG 4.15Å; F10-L59 HydrophobicContact CE2-CD2 4.1Å; F10-L59 HydrophobicContact CE2-CG 3.99Å; F10-L59 HydrophobicContact CG-CD2 3.23Å; F10-L59 HydrophobicContact CG-CG 3.92Å; F10-L59 HydrophobicContact CZ-CD2 4.48Å; F10-L59 HydrophobicContact CZ-CG 4.13Å; L59-T63 VanDerWaalsContact O-CB 3.27Å; L59-T63 WeakPolarHBondContact O-CB 3.41Å; L59-T63 PolarHBondContact O-N 3.48Å; L59-T63 PolarHBondContact O-OG1 3.06Å
60E86.8Confident81.1Confident156 Ų15664.1 Ų64.173%0.72937%0.366SS*.Hα-helixtrans-66.8-44.7178.4-74.2175.978.500112.1S58 T63 K64S58-E60 PolarHBondContact O-N 3.5Å; E60-T63 WeakPolarHBondContact O-CB 3.43Å; E60-T63 PolarHBondContact O-N 3.02Å; E60-K64 WeakPolarHBondContact O-CG 3.16Å; E60-K64 PolarHBondContact O-N 3.41Å
61E86.7Confident79.9Confident16 Ų1666.8 Ų66.88%0.07538%0.38CS..Hα-helixtrans-66.1-42.7176.8-74.5164.5139.400112I49 N52 I57 S58 T63 K64 A65I49-E61 HydrophobicContact CG2-CB 4.16Å; N52-E61 WeakPolarHBondContact CB-OE1 3.33Å; N52-E61 PolarHBondContact N-OE1 3.26Å; N52-E61 PolarHBondContact ND2-OE1 3.48Å; N52-E61 PolarHBondContact OD1-OE1 3.27Å; I57-E61 HydrophobicContact CG2-CB 4.18Å; S58-E61 WeakPolarHBondContact CB-OE2 3.47Å; S58-E61 PolarHBondContact N-OE2 3.28Å; S58-E61 PolarHBondContact O-N 2.66Å; S58-E61 WeakPolarHBondContact OG-CG 3.37Å; S58-E61 PolarHBondContact OG-N 3.38Å; S58-E61 PolarHBondContact OG-OE2 3.22Å; E61-T63 VanDerWaalsContact C-N 3.28Å; E61-T63 PolarHBondContact O-N 3.07Å; E61-K64 PolarHBondContact O-N 2.82Å; E61-A65 WeakPolarHBondContact O-CB 3.33Å; E61-A65 PolarHBondContact O-N 2.97Å
62L82.7Confident78.8Confident2 Ų260.7 Ų60.71%0.0135%0.347CS..Hα-helixtrans-62.1-40.3174.8-174.362.7000111.1I6 F10 I57 S58 A65 L66 I72I6-L62 HydrophobicContact CG2-CB 4.32Å; I6-L62 HydrophobicContact CG2-CD2 3.87Å; I6-L62 HydrophobicContact CG2-CG 3.99Å; F10-L62 HydrophobicContact CB-CD2 4.05Å; F10-L62 HydrophobicContact CD2-CD2 3.85Å; F10-L62 HydrophobicContact CG-CD2 4.48Å; I57-L62 HydrophobicContact CG2-CB 3.91Å; S58-L62 PolarHBondContact O-N 2.74Å; L62-A65 PolarHBondContact O-N 3.23Å; L62-L66 HydrophobicContact CD1-CD1 4.1Å; L62-L66 HydrophobicContact CD1-CG 4.46Å; L62-L66 HydrophobicContact CG-CD1 3.87Å; L62-L66 WeakPolarHBondContact O-CB 3.39Å; L62-L66 WeakPolarHBondContact O-CG 3.19Å; L62-L66 PolarHBondContact O-N 2.85Å; L62-I72 HydrophobicContact CD1-CD1 4.07Å; L62-I72 HydrophobicContact CD1-CG2 3.96Å
63T85.1Confident77.3Confident51 Ų5159.2 Ų59.231%0.31335%0.347SS..Hα-helixtrans-61.2-47.4174.6-60.60000111.2I6 L59 E60 E61 L66 S67I6-T63 HydrophobicContact CD1-CG2 3.79Å; L59-T63 VanDerWaalsContact O-CB 3.27Å; L59-T63 WeakPolarHBondContact O-CB 3.41Å; L59-T63 PolarHBondContact O-N 3.48Å; L59-T63 PolarHBondContact O-OG1 3.06Å; E60-T63 WeakPolarHBondContact O-CB 3.43Å; E60-T63 PolarHBondContact O-N 3.02Å; E61-T63 VanDerWaalsContact C-N 3.28Å; E61-T63 PolarHBondContact O-N 3.07Å; T63-L66 PolarHBondContact O-N 3.22Å; T63-S67 VanDerWaalsContact O-CB 3.27Å; T63-S67 WeakPolarHBondContact O-CB 3.5Å; T63-S67 PolarHBondContact O-N 2.98Å
64K84.1Confident76Confident151 Ų15161 Ų6166%0.65734%0.342SS*.Hα-helixtrans-60.5-45.6176.4-78.9-166.9177.3-165.30111.7E60 E61 S67 G68E60-K64 WeakPolarHBondContact O-CG 3.16Å; E60-K64 PolarHBondContact O-N 3.41Å; E61-K64 PolarHBondContact O-N 2.82Å; K64-S67 CarbonylContact O-C 3.6Å; K64-S67 WeakPolarHBondContact O-CB 3.39Å; K64-S67 PolarHBondContact O-N 2.91Å; K64-G68 PolarHBondContact O-N 2.7Å
65A80.8Confident74.2Confident12 Ų1257.7 Ų57.710%0.09933%0.327CS..Hα-helixtrans-61.1-48.6178.900000111.8I49 E61 L62 S67 G68 L70I49-A65 HydrophobicContact CB-CB 4.12Å; I49-A65 HydrophobicContact CG1-CB 3.73Å; I49-A65 HydrophobicContact CG2-CB 3.77Å; E61-A65 WeakPolarHBondContact O-CB 3.33Å; E61-A65 PolarHBondContact O-N 2.97Å; L62-A65 PolarHBondContact O-N 3.23Å; A65-S67 VanDerWaalsContact C-N 3.29Å; A65-S67 PolarHBondContact O-N 3.09Å; A65-G68 WeakPolarHBondContact O-CA 3.5Å; A65-G68 PolarHBondContact O-N 2.88Å; A65-L70 HydrophobicContact CB-CB 4.13Å; A65-L70 HydrophobicContact CB-CD2 3.79Å; A65-L70 WeakPolarHBondContact O-CA 3.24Å; A65-L70 WeakPolarHBondContact O-CB 3.27Å; A65-L70 PolarHBondContact O-N 2.96Å
66L77.4Confident72.6Confident17 Ų1758.5 Ų58.59%0.08933%0.329CS..Hα-helixtrans-64.6-35.2177.1-73.4163000111.8I6 L9 L62 T63 G68 N69 L70 I72I6-L66 HydrophobicContact CB-CD1 4.33Å; I6-L66 HydrophobicContact CG1-CD1 3.66Å; I6-L66 HydrophobicContact CG2-CD1 4.19Å; L9-L66 HydrophobicContact CD2-CD1 4.14Å; L62-L66 HydrophobicContact CD1-CD1 4.1Å; L62-L66 HydrophobicContact CD1-CG 4.46Å; L62-L66 HydrophobicContact CG-CD1 3.87Å; L62-L66 WeakPolarHBondContact O-CB 3.39Å; L62-L66 WeakPolarHBondContact O-CG 3.19Å; L62-L66 PolarHBondContact O-N 2.85Å; T63-L66 PolarHBondContact O-N 3.22Å; L66-G68 VanDerWaalsContact C-N 3.25Å; L66-G68 PolarHBondContact O-N 3.2Å; L66-N69 PolarHBondContact O-N 3.06Å; L66-L70 WeakPolarHBondContact CD2-O 3.21Å; L66-I72 HydrophobicContact CD2-CG2 4.22Å
67S80.1Confident70.8Confident101 Ų10162.4 Ų62.471%0.70635%0.347SS*.Hα-helixtrans-66.8-26.8171.8-168.70000112.8T63 K64 A65 N69T63-S67 VanDerWaalsContact O-CB 3.27Å; T63-S67 WeakPolarHBondContact O-CB 3.5Å; T63-S67 PolarHBondContact O-N 2.98Å; K64-S67 CarbonylContact O-C 3.6Å; K64-S67 WeakPolarHBondContact O-CB 3.39Å; K64-S67 PolarHBondContact O-N 2.91Å; A65-S67 VanDerWaalsContact C-N 3.29Å; A65-S67 PolarHBondContact O-N 3.09Å; S67-N69 PolarHBondContact O-N 2.82Å
68G70.8Confident68.5Low54 Ų5466.8 Ų66.856%0.55737%0.37SS*.THydrogen-bonded Turntrans-78.95.4178.200000115.1K64 A65 L66K64-G68 PolarHBondContact O-N 2.7Å; A65-G68 WeakPolarHBondContact O-CA 3.5Å; A65-G68 PolarHBondContact O-N 2.88Å; L66-G68 VanDerWaalsContact C-N 3.25Å; L66-G68 PolarHBondContact O-N 3.2Å
69N63.3Low66.3Low147 Ų14774.7 Ų74.779%0.78640%0.401SS*.THydrogen-bonded Turntrans7617.2-167.7-52.1-93.6000114.6L66 S67 D71L66-N69 PolarHBondContact O-N 3.06Å; S67-N69 PolarHBondContact O-N 2.82Å; N69-D71 PolarHBondContact O-N 3.4Å; N69-D71 VanDerWaalsContact O-N 3.09Å
70L62.3Low64.3Low42 Ų4277.4 Ų77.422%0.2242%0.423CS..  trans-81.887.8173.6-165.376.1000110.6F45 I49 A65 L66 I72F45-L70 HydrophobicContact CD2-CD2 4.48Å; F45-L70 HydrophobicContact CE2-CD1 4.45Å; F45-L70 HydrophobicContact CE2-CD2 3.85Å; F45-L70 HydrophobicContact CE2-CG 4.17Å; F45-L70 HydrophobicContact CZ-CD2 4.39Å; I49-L70 HydrophobicContact CD1-CD2 3.62Å; I49-L70 HydrophobicContact CG1-CD2 3.21Å; A65-L70 HydrophobicContact CB-CB 4.13Å; A65-L70 HydrophobicContact CB-CD2 3.79Å; A65-L70 WeakPolarHBondContact O-CA 3.24Å; A65-L70 WeakPolarHBondContact O-CB 3.27Å; A65-L70 PolarHBondContact O-N 2.96Å; L66-L70 WeakPolarHBondContact CD2-O 3.21Å; L70-I72 HydrophobicContact CD2-CG2 4.48Å; L70-I72 PolarHBondContact O-N 3.04Å
71D61.1Low62.4Low62 Ų6285.3 Ų85.333%0.33245%0.446SS..  trans-67.995.8169.7-71.5-62.3000110.5N69 A73 K74 A75N69-D71 PolarHBondContact O-N 3.4Å; N69-D71 VanDerWaalsContact O-N 3.09Å; D71-A73 PolarHBondContact O-N 3.25Å; D71-K74 HydrophobicContact CB-CB 3.59Å; D71-K74 HydrophobicContact CB-CD 3.77Å; D71-K74 HydrophobicContact CB-CG 3.55Å; D71-K74 CarbonylContact O-C 3.59Å; D71-K74 WeakPolarHBondContact O-CA 3.33Å; D71-K74 WeakPolarHBondContact O-CB 3.24Å; D71-K74 PolarHBondContact O-N 3.17Å; D71-K74 WeakPolarHBondContact OD2-CD 3.45Å; D71-K74 WeakPolarHBondContact OD2-CE 3.45Å; D71-K74 IonicContact OD2-NZ 2.7Å; D71-K74 PolarHBondContact OD2-NZ 3.26Å; D71-A75 PolarHBondContact O-N 2.78Å
72I57.2Low61.2Low12 Ų1288.8 Ų88.86%0.06247%0.465CS..Hα-helixtrans-64.2-26.1172.783.6164.7000111.7L9 L13 F45 I49 L62 L66 L70 K74 A75 C76L9-I72 HydrophobicContact CD1-CD1 3.6Å; L9-I72 HydrophobicContact CD1-CG1 3.98Å; L9-I72 HydrophobicContact CD2-CD1 3.16Å; L9-I72 HydrophobicContact CD2-CG1 3.2Å; L9-I72 HydrophobicContact CG-CD1 3.25Å; L9-I72 HydrophobicContact CG-CG1 3.83Å; L13-I72 HydrophobicContact CD1-CD1 3.74Å; F45-I72 HydrophobicContact CE1-CG2 4.49Å; F45-I72 HydrophobicContact CE2-CB 4.15Å; F45-I72 HydrophobicContact CE2-CG2 4.03Å; F45-I72 HydrophobicContact CZ-CB 3.53Å; F45-I72 HydrophobicContact CZ-CG2 3.43Å; F45-I72 VanDerWaalsContact CZ-CG2 3.43Å; I49-I72 HydrophobicContact CD1-CG2 4.24Å; L62-I72 HydrophobicContact CD1-CD1 4.07Å; L62-I72 HydrophobicContact CD1-CG2 3.96Å; L66-I72 HydrophobicContact CD2-CG2 4.22Å; L70-I72 HydrophobicContact CD2-CG2 4.48Å; L70-I72 PolarHBondContact O-N 3.04Å; I72-K74 VanDerWaalsContact C-N 3.29Å; I72-K74 PolarHBondContact O-N 3.45Å; I72-A75 WeakPolarHBondContact O-CA 3.46Å; I72-A75 WeakPolarHBondContact O-CB 3.46Å; I72-A75 PolarHBondContact O-N 3.1Å; I72-C76 PolarHBondContact O-N 2.9Å
73A50.6Low60Low54 Ų5493.3 Ų93.345%0.44649%0.489SS..Hα-helixtrans-67.9-27.8170.700000112.4D71 A75 C76 H77D71-A73 PolarHBondContact O-N 3.25Å; A73-A75 VanDerWaalsContact C-N 3.35Å; A73-C76 WeakPolarHBondContact O-CB 3.34Å; A73-C76 PolarHBondContact O-N 3.19Å; A73-H77 PolarHBondContact O-N 3.32Å; A73-H77 VanDerWaalsContact O-N 3.1Å; A73-H77 PolarHBondContact O-ND1 3.25Å
74K51.5Low58.6Low136 Ų13695.7 Ų95.759%0.59150%0.499SS*.Hα-helixtrans-76.2-23.2166.5-72.2-177.4-174145.50112.1D71 I72 C76 H77 L78D71-K74 HydrophobicContact CB-CB 3.59Å; D71-K74 HydrophobicContact CB-CD 3.77Å; D71-K74 HydrophobicContact CB-CG 3.55Å; D71-K74 CarbonylContact O-C 3.59Å; D71-K74 WeakPolarHBondContact O-CA 3.33Å; D71-K74 WeakPolarHBondContact O-CB 3.24Å; D71-K74 PolarHBondContact O-N 3.17Å; D71-K74 WeakPolarHBondContact OD2-CD 3.45Å; D71-K74 WeakPolarHBondContact OD2-CE 3.45Å; D71-K74 IonicContact OD2-NZ 2.7Å; D71-K74 PolarHBondContact OD2-NZ 3.26Å; I72-K74 VanDerWaalsContact C-N 3.29Å; I72-K74 PolarHBondContact O-N 3.45Å; K74-C76 PolarHBondContact O-N 2.9Å; K74-H77 CarbonylContact O-C 3.57Å; K74-H77 WeakPolarHBondContact O-CA 3.23Å; K74-H77 PolarHBondContact O-N 3.1Å; K74-L78 PolarHBondContact O-N 3.25Å
75A48.2Very low57.1Low17 Ų1792.4 Ų92.414%0.1449%0.489CS..Hα-helixtrans-62.6-30.4165.200000111Y37 F45 D71 I72 A73Y37-A75 WeakPolarHBondContact CE2-O 3.48Å; Y37-A75 PolarHBondContact OH-O 3.26Å; F45-A75 HydrophobicContact CD2-CB 3.93Å; F45-A75 HydrophobicContact CE2-CB 3.68Å; F45-A75 HydrophobicContact CZ-CB 4.15Å; D71-A75 PolarHBondContact O-N 2.78Å; I72-A75 WeakPolarHBondContact O-CA 3.46Å; I72-A75 WeakPolarHBondContact O-CB 3.46Å; I72-A75 PolarHBondContact O-N 3.1Å; A73-A75 VanDerWaalsContact C-N 3.35Å
76C48.2Very low55.7Low37 Ų3797.4 Ų97.425%0.2551%0.514CS..Hα-helixtrans-75.4-29.6166.9-74.60000113.8Y37 I72 A73 K74Y37-C76 PolarHBondContact OH-O 3.23Å; I72-C76 PolarHBondContact O-N 2.9Å; A73-C76 WeakPolarHBondContact O-CB 3.34Å; A73-C76 PolarHBondContact O-N 3.19Å; K74-C76 PolarHBondContact O-N 2.9Å
77H48.1Very low54.2Low150 Ų150102.8 Ų102.869%0.69454%0.542SS*.THydrogen-bonded Turntrans-9320174-65.784.2000113.9A73 K74 K79A73-H77 PolarHBondContact O-N 3.32Å; A73-H77 VanDerWaalsContact O-N 3.1Å; A73-H77 PolarHBondContact O-ND1 3.25Å; K74-H77 CarbonylContact O-C 3.57Å; K74-H77 WeakPolarHBondContact O-CA 3.23Å; K74-H77 PolarHBondContact O-N 3.1Å; H77-K79 VanDerWaalsContact C-N 3.28Å; H77-K79 PolarHBondContact O-N 3.11Å
78L40.1Very low52.4Low97 Ų97102.9 Ų102.951%0.50853%0.53SS..  trans-58.8104.6165.3-90160.1000104.7Y37 K74 P80Y37-L78 HydrophobicContact CD1-CD1 4.47Å; Y37-L78 HydrophobicContact CE1-CB 3.87Å; Y37-L78 HydrophobicContact CE1-CD1 3.69Å; Y37-L78 HydrophobicContact CE1-CG 4.44Å; Y37-L78 WeakPolarHBondContact OH-CB 3.48Å; K74-L78 PolarHBondContact O-N 3.25Å; L78-P80 VanDerWaalsContact O-N 3.13Å
79K42Very low51Low187 Ų187106.7 Ų106.781%0.81353%0.528SS*.  trans-50127.7-173.5-66.6-137.5-177.3-169.60106.9H77 R81H77-K79 VanDerWaalsContact C-N 3.28Å; H77-K79 PolarHBondContact O-N 3.11Å; K79-R81 PolarHBondContact O-N 2.87Å
80P44Very low49.9Very low125 Ų125103.3 Ų103.381%0.81251%0.507SS*.  trans-53.6123.6163.724-30.5000105.7L78L78-P80 VanDerWaalsContact O-N 3.13Å
81R46Very low48.8Very low321 Ų321108.9 Ų108.9100%1.21153%0.533SS*.  trans-59.40167.2-81.8-153.4175.4-108.73.3109.8K79K79-R81 PolarHBondContact O-N 2.87Å

Retrieved 81 of 81 residues in 20.4 ms (Link to these results)

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