G4LVA7_SCHMA Loading...

J domain-containing protein

AlphaFold DB , UniProt , Accession G4LVA7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 141 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
1M40.6Very low73.9Confident229 Ų229107.1 Ų107.1100%1.12854%0.539SS*.  073.60-55.6-5615000106.3A3M1-A3 PolarHBondContact O-N 2.78Å; M1-A3 VanDerWaalsContact O-N 3.14Å
2D54.1Low75Confident147 Ų14799.6 Ų99.679%0.78650%0.503SS*.  trans-71.2106.7175.9-57-91.5000106.2T4D2-T4 PolarHBondContact O-N 3.33Å
3A61.9Low75.8Confident50 Ų5098.5 Ų98.541%0.41350%0.499SS..  trans-56.4114.1174.200000107.6M1 I8M1-A3 PolarHBondContact O-N 2.78Å; M1-A3 VanDerWaalsContact O-N 3.14Å; A3-I8 HydrophobicContact CB-CD1 4.19Å; A3-I8 HydrophobicContact CB-CG1 3.99Å
4T74.2Confident76.6Confident100 Ų100101.7 Ų101.761%0.61351%0.511SS*.  trans-56.9143.2178.5-42.10000108.5D2 D6 E7 I8D2-T4 PolarHBondContact O-N 3.33Å; T4-D6 PolarHBondContact O-N 3.09Å; T4-E7 WeakPolarHBondContact O-CB 3.38Å; T4-E7 PolarHBondContact O-N 2.98Å; T4-I8 PolarHBondContact O-N 3.46Å
5E75.7Confident77.1Confident97 Ų9796.5 Ų96.545%0.45349%0.49SS..Hα-helixtrans-50.2-32.6-179.7-66.7165.598.500112.5K9 P45E5-K9 VanDerWaalsContact O-CB 3.31Å; E5-K9 WeakPolarHBondContact O-CB 3.43Å; E5-K9 PolarHBondContact O-N 3.26Å; E5-P45 WeakPolarHBondContact OE1-CD 3.28Å
6D80.5Confident77.6Confident75 Ų7594.1 Ų94.140%0.40147%0.473SS..Hα-helixtrans-63.2-38.7175.3-172.9-126.9000113.8T4 K9 R10T4-D6 PolarHBondContact O-N 3.09Å; D6-K9 WeakPolarHBondContact O-CB 3.49Å; D6-K9 PolarHBondContact O-N 2.8Å; D6-R10 WeakPolarHBondContact O-CG 3.5Å; D6-R10 PolarHBondContact O-N 3.33Å; D6-R10 IonicContact OD1-CZ 2.73Å; D6-R10 IonicContact OD1-NE 3.89Å; D6-R10 IonicContact OD1-NH1 2.7Å; D6-R10 PolarHBondContact OD1-NH1 3.36Å; D6-R10 IonicContact OD1-NH2 3.22Å; D6-R10 PolarHBondContact OD1-NH2 3.44Å; D6-R10 IonicContact OD2-NH1 3.4Å
7E85Confident77.8Confident92 Ų9294.4 Ų94.443%0.4348%0.476SS..Hα-helixtrans-69.5-45.2178.4-170.571.194.500111T4 K9 R10 I11T4-E7 WeakPolarHBondContact O-CB 3.38Å; T4-E7 PolarHBondContact O-N 2.98Å; E7-K9 PolarHBondContact O-N 3.08Å; E7-R10 WeakPolarHBondContact O-CB 3.34Å; E7-R10 PolarHBondContact O-N 3.38Å; E7-R10 VanDerWaalsContact O-N 3.15Å; E7-R10 IonicContact OE2-NE 2.9Å; E7-I11 HydrophobicContact CG-CD1 4.16Å; E7-I11 WeakPolarHBondContact O-CG1 3.48Å; E7-I11 PolarHBondContact O-N 3.46Å
8I83.4Confident77.9Confident22 Ų2297.6 Ų97.611%0.11349%0.486CS..Hα-helixtrans-61.9-40.9176.2-56.3173.6000109.3A3 T4 R10 I11 V12 W39 L42A3-I8 HydrophobicContact CB-CD1 4.19Å; A3-I8 HydrophobicContact CB-CG1 3.99Å; T4-I8 PolarHBondContact O-N 3.46Å; I8-R10 VanDerWaalsContact C-N 3.35Å; I8-R10 PolarHBondContact O-N 3.39Å; I8-I11 PolarHBondContact O-N 3.39Å; I8-V12 HydrophobicContact CG2-CG2 4.21Å; I8-V12 VanDerWaalsContact O-CB 3.28Å; I8-V12 WeakPolarHBondContact O-CB 3.49Å; I8-V12 VanDerWaalsContact O-CG2 3.26Å; I8-V12 WeakPolarHBondContact O-CG2 3.47Å; I8-V12 PolarHBondContact O-N 2.78Å; I8-W39 HydrophobicContact CB-CZ3 3.94Å; I8-W39 HydrophobicContact CG2-CE3 3.78Å; I8-W39 HydrophobicContact CG2-CZ3 3.63Å; I8-L42 HydrophobicContact CD1-CB 4.47Å; I8-L42 HydrophobicContact CG2-CB 4Å; I8-L42 HydrophobicContact CG2-CD1 4.2Å
9K84Confident77.6Confident123 Ų12395.3 Ų95.354%0.53547%0.473SS..Hα-helixtrans-59-45.2175.2-168.5179.8175.8-174.30111.6E5 D6 E7 N13 W39E5-K9 VanDerWaalsContact O-CB 3.31Å; E5-K9 WeakPolarHBondContact O-CB 3.43Å; E5-K9 PolarHBondContact O-N 3.26Å; D6-K9 WeakPolarHBondContact O-CB 3.49Å; D6-K9 PolarHBondContact O-N 2.8Å; E7-K9 PolarHBondContact O-N 3.08Å; K9-N13 WeakPolarHBondContact O-CB 3.4Å; K9-N13 PolarHBondContact O-N 2.74Å; K9-W39 HydrophobicContact CB-CH2 3.4Å; K9-W39 VanDerWaalsContact CB-CH2 3.4Å; K9-W39 HydrophobicContact CB-CZ2 4.01Å; K9-W39 HydrophobicContact CB-CZ3 3.96Å; K9-W39 HydrophobicContact CD-CH2 4.45Å; K9-W39 HydrophobicContact CD-CZ2 4.39Å; K9-W39 HydrophobicContact CG-CH2 3.78Å; K9-W39 HydrophobicContact CG-CZ2 3.84Å
10R87.1Confident77.3Confident140 Ų14094.7 Ų94.753%0.52847%0.469SS..Hα-helixtrans-60.3-50.3177.9-80.6-160.6-96.1-92.62.8111.5D6 E7 I8 V12 N13 E14D6-R10 WeakPolarHBondContact O-CG 3.5Å; D6-R10 PolarHBondContact O-N 3.33Å; D6-R10 IonicContact OD1-CZ 2.73Å; D6-R10 IonicContact OD1-NE 3.89Å; D6-R10 IonicContact OD1-NH1 2.7Å; D6-R10 PolarHBondContact OD1-NH1 3.36Å; D6-R10 IonicContact OD1-NH2 3.22Å; D6-R10 PolarHBondContact OD1-NH2 3.44Å; D6-R10 IonicContact OD2-NH1 3.4Å; E7-R10 WeakPolarHBondContact O-CB 3.34Å; E7-R10 PolarHBondContact O-N 3.38Å; E7-R10 VanDerWaalsContact O-N 3.15Å; E7-R10 IonicContact OE2-NE 2.9Å; I8-R10 VanDerWaalsContact C-N 3.35Å; I8-R10 PolarHBondContact O-N 3.39Å; R10-V12 PolarHBondContact O-N 2.82Å; R10-N13 PolarHBondContact O-N 3.33Å; R10-E14 PolarHBondContact O-N 3.41Å
11I86.7Confident76.8Confident103 Ų10394 Ų9453%0.52847%0.471SS..Hα-helixtrans-61.9-45.9179.6-64166.4000111E7 I8 N13 E14 A15E7-I11 HydrophobicContact CG-CD1 4.16Å; E7-I11 WeakPolarHBondContact O-CG1 3.48Å; E7-I11 PolarHBondContact O-N 3.46Å; I8-I11 PolarHBondContact O-N 3.39Å; I11-N13 PolarHBondContact O-N 3.33Å; I11-E14 PolarHBondContact O-N 2.84Å; I11-A15 WeakPolarHBondContact O-CB 3.46Å; I11-A15 PolarHBondContact O-N 3.39Å
12V86.5Confident78.2Confident17 Ų1789.4 Ų89.410%0.10345%0.451CS..Hα-helixtrans-61.5-44.5176.8163.60000110.8I8 R10 A15 R16 I35 W39I8-V12 HydrophobicContact CG2-CG2 4.21Å; I8-V12 VanDerWaalsContact O-CB 3.28Å; I8-V12 WeakPolarHBondContact O-CB 3.49Å; I8-V12 VanDerWaalsContact O-CG2 3.26Å; I8-V12 WeakPolarHBondContact O-CG2 3.47Å; I8-V12 PolarHBondContact O-N 2.78Å; R10-V12 PolarHBondContact O-N 2.82Å; V12-A15 PolarHBondContact O-N 3.02Å; V12-R16 HydrophobicContact CG1-CG 4.35Å; V12-R16 VanDerWaalsContact O-CG 3.27Å; V12-R16 WeakPolarHBondContact O-CG 3.06Å; V12-R16 PolarHBondContact O-N 2.88Å; V12-I35 HydrophobicContact CG1-CG2 3.85Å; V12-W39 HydrophobicContact CB-CD2 4.32Å; V12-W39 HydrophobicContact CB-CE3 4.12Å; V12-W39 HydrophobicContact CG1-CB 3.74Å; V12-W39 HydrophobicContact CG1-CD2 3.98Å; V12-W39 HydrophobicContact CG1-CE3 4.28Å; V12-W39 HydrophobicContact CG1-CG 3.76Å; V12-W39 HydrophobicContact CG2-CB 4.08Å; V12-W39 HydrophobicContact CG2-CD2 4.25Å; V12-W39 HydrophobicContact CG2-CE3 3.77Å; V12-W39 HydrophobicContact CG2-CG 4.43Å
13N86.1Confident78.8Confident86 Ų8690 Ų9046%0.4645%0.447SS..Hα-helixtrans-64-41.7178.9-175.669.9000111.9K9 R10 I11 R16 L17K9-N13 WeakPolarHBondContact O-CB 3.4Å; K9-N13 PolarHBondContact O-N 2.74Å; R10-N13 PolarHBondContact O-N 3.33Å; I11-N13 PolarHBondContact O-N 3.33Å; N13-R16 PolarHBondContact O-N 3.03Å; N13-L17 WeakPolarHBondContact ND2-CD1 3.35Å; N13-L17 WeakPolarHBondContact O-CB 3.49Å; N13-L17 WeakPolarHBondContact O-CD1 3.4Å; N13-L17 WeakPolarHBondContact O-CG 3.38Å; N13-L17 PolarHBondContact O-N 2.95Å
14E86.9Confident78.8Confident143 Ų14390.8 Ų90.867%0.66844%0.444SS*.Hα-helixtrans-61.8-44.3173.7-173.4179.99700111.4R10 I11 L17 K18R10-E14 PolarHBondContact O-N 3.41Å; I11-E14 PolarHBondContact O-N 2.84Å; E14-L17 PolarHBondContact O-N 2.71Å; E14-K18 WeakPolarHBondContact O-CB 3.42Å; E14-K18 PolarHBondContact O-N 2.8Å
15A84.4Confident78.2Confident23 Ų2391.9 Ų91.919%0.1945%0.453CS..Hα-helixtrans-62-44.4175.400000111.6I11 V12 L17 K18 F19 I35I11-A15 WeakPolarHBondContact O-CB 3.46Å; I11-A15 PolarHBondContact O-N 3.39Å; V12-A15 PolarHBondContact O-N 3.02Å; A15-L17 PolarHBondContact O-N 2.87Å; A15-K18 PolarHBondContact O-N 3.15Å; A15-F19 HydrophobicContact CB-CD2 4.42Å; A15-F19 WeakPolarHBondContact O-CB 3.41Å; A15-F19 WeakPolarHBondContact O-CD2 3.35Å; A15-F19 PolarHBondContact O-N 3.43Å; A15-I35 HydrophobicContact CB-CD1 3.8Å; A15-I35 HydrophobicContact CB-CG1 4.42Å; A15-I35 HydrophobicContact CB-CG2 4.43Å
16R83.6Confident77.6Confident58 Ų5894 Ų9422%0.21947%0.467CS..Hα-helixtrans-58.6-44.3174.9-72.5172.3-168.3-146.2-11.2112V12 N13 K18 F19 H20 F32 I35 E36V12-R16 HydrophobicContact CG1-CG 4.35Å; V12-R16 VanDerWaalsContact O-CG 3.27Å; V12-R16 WeakPolarHBondContact O-CG 3.06Å; V12-R16 PolarHBondContact O-N 2.88Å; N13-R16 PolarHBondContact O-N 3.03Å; R16-K18 VanDerWaalsContact C-N 3.33Å; R16-F19 CarbonylContact O-C 3.47Å; R16-F19 PolarHBondContact O-N 2.89Å; R16-H20 VanDerWaalsContact O-CA 3.3Å; R16-H20 WeakPolarHBondContact O-CA 3.36Å; R16-H20 WeakPolarHBondContact O-CB 3.48Å; R16-H20 PolarHBondContact O-N 2.82Å; R16-F32 HydrophobicContact CB-CE2 4.28Å; R16-F32 HydrophobicContact CG-CD2 4.39Å; R16-F32 HydrophobicContact CG-CE2 3.97Å; R16-I35 HydrophobicContact CG-CG2 3.96Å; R16-E36 VanDerWaalsContact CD-OE1 3.31Å; R16-E36 WeakPolarHBondContact CD-OE1 3.5Å; R16-E36 IonicContact CZ-OE1 2.93Å; R16-E36 IonicContact CZ-OE2 2.68Å; R16-E36 VanDerWaalsContact CZ-OE2 3.22Å; R16-E36 IonicContact NE-OE1 3.7Å; R16-E36 PolarHBondContact NE-OE1 3.15Å; R16-E36 IonicContact NH1-OE1 2.63Å; R16-E36 PolarHBondContact NH1-OE1 3.07Å; R16-E36 VanDerWaalsContact NH1-OE1 3.13Å; R16-E36 IonicContact NH1-OE2 3.13Å; R16-E36 PolarHBondContact NH1-OE2 3.1Å; R16-E36 IonicContact NH2-OE1 3.75Å; R16-E36 PolarHBondContact NH2-OE1 2.89Å; R16-E36 IonicContact NH2-OE2 2.89Å; R16-E36 PolarHBondContact NH2-OE2 3.05Å
17L81.6Confident76.5Confident99 Ų9991.6 Ų91.652%0.51846%0.455SS..Hα-helixtrans-65.6-37177.4-77160.8000112.1N13 E14 A15N13-L17 WeakPolarHBondContact ND2-CD1 3.35Å; N13-L17 WeakPolarHBondContact O-CB 3.49Å; N13-L17 WeakPolarHBondContact O-CD1 3.4Å; N13-L17 WeakPolarHBondContact O-CG 3.38Å; N13-L17 PolarHBondContact O-N 2.95Å; E14-L17 PolarHBondContact O-N 2.71Å; A15-L17 PolarHBondContact O-N 2.87Å
18K78.9Confident75.3Confident153 Ų15390.7 Ų90.767%0.66546%0.459SS*.Hα-helixtrans-71.9-36.9178.3-171.1173.7-174.9175.20112.6E14 A15 R16E14-K18 WeakPolarHBondContact O-CB 3.42Å; E14-K18 PolarHBondContact O-N 2.8Å; A15-K18 PolarHBondContact O-N 3.15Å; R16-K18 VanDerWaalsContact C-N 3.33Å
19F72.8Confident74.6Confident53 Ų5393.7 Ų93.723%0.23248%0.475CS..THydrogen-bonded Turntrans-101.717.8179.3-62.1-66.8000113.1A15 R16 V27 K31 I35A15-F19 HydrophobicContact CB-CD2 4.42Å; A15-F19 WeakPolarHBondContact O-CB 3.41Å; A15-F19 WeakPolarHBondContact O-CD2 3.35Å; A15-F19 PolarHBondContact O-N 3.43Å; R16-F19 CarbonylContact O-C 3.47Å; R16-F19 PolarHBondContact O-N 2.89Å; F19-V27 HydrophobicContact CB-CG2 4.14Å; F19-V27 HydrophobicContact CD1-CB 4.29Å; F19-V27 HydrophobicContact CD1-CG1 3.91Å; F19-V27 HydrophobicContact CD1-CG2 4.22Å; F19-V27 HydrophobicContact CE1-CG1 4.42Å; F19-V27 WeakPolarHBondContact O-CG2 3.23Å; F19-K31 HydrophobicContact CD1-CB 4.47Å; F19-K31 HydrophobicContact CD1-CD 3.89Å; F19-K31 HydrophobicContact CE1-CD 3.72Å; F19-K31 HydrophobicContact CG-CB 4.48Å; F19-K31 HydrophobicContact CZ-CD 4.34Å; F19-I35 HydrophobicContact CB-CD1 4.49Å; F19-I35 HydrophobicContact CD2-CD1 3.57Å; F19-I35 HydrophobicContact CE2-CD1 4.23Å; F19-I35 HydrophobicContact CG-CD1 4.36Å
20H71.6Confident74Confident84 Ų8490.8 Ų90.839%0.38947%0.468SS..  trans-65133.8-178.1-165.6-91.3000109.7R16 D22 K23 N24R16-H20 VanDerWaalsContact O-CA 3.3Å; R16-H20 WeakPolarHBondContact O-CA 3.36Å; R16-H20 WeakPolarHBondContact O-CB 3.48Å; R16-H20 PolarHBondContact O-N 2.82Å; H20-D22 WeakPolarHBondContact ND1-CB 3.33Å; H20-D22 PolarHBondContact ND1-N 2.77Å; H20-D22 PolarHBondContact O-N 3.37Å; H20-K23 PolarHBondContact O-N 2.97Å; H20-N24 PolarHBondContact O-N 3.05Å
21P66.8Low73.5Confident80 Ų8089.1 Ų89.152%0.51946%0.464SS..THydrogen-bonded Turntrans-58.3-26.4-176.822.2-34000113.2
22D71.3Confident73.3Confident133 Ų13386.9 Ų86.971%0.71145%0.451SS*.THydrogen-bonded Turntrans-63.4-37.3175.3-173.5-108.3000113.7H20H20-D22 WeakPolarHBondContact ND1-CB 3.33Å; H20-D22 PolarHBondContact ND1-N 2.77Å; H20-D22 PolarHBondContact O-N 3.37Å
23K65Low72.9Confident160 Ų16089.1 Ų89.170%0.69646%0.462SS*.THydrogen-bonded Turntrans-92.4-26.9-176.3-71-165.2175.7-159.70113.3H20H20-K23 PolarHBondContact O-N 2.97Å
24N61.8Low72.7Confident66 Ų6689.2 Ų89.235%0.35347%0.465SS..  trans-14080-177.9-148.994.9000109.2H20 D26 V27H20-N24 PolarHBondContact O-N 3.05Å; N24-D26 PolarHBondContact O-N 3.06Å; N24-V27 HydrophobicContact CB-CB 4.31Å; N24-V27 HydrophobicContact CB-CG1 3.88Å; N24-V27 HydrophobicContact CB-CG2 3.89Å; N24-V27 WeakPolarHBondContact ND2-CG1 3.4Å; N24-V27 PolarHBondContact ND2-N 2.93Å; N24-V27 WeakPolarHBondContact O-CG2 3.43Å; N24-V27 PolarHBondContact O-N 3.13Å
25P62.4Low72.7Confident123 Ų12383.6 Ų83.680%0.79944%0.44SS*.THydrogen-bonded Turntrans-59.7-16.9179.325.1-35.2000112.9
26D63.4Low72.7Confident141 Ų14185.2 Ų85.275%0.75444%0.443SS*.THydrogen-bonded Turntrans-89.2-13.9177.7-164.8-105.6000113.9N24 S28N24-D26 PolarHBondContact O-N 3.06Å; D26-S28 PolarHBondContact O-N 2.92Å
27V57Low72.7Confident25 Ų2586.1 Ų86.115%0.15245%0.447CS..SBendtrans-73.8105.4172.9-68.30000106.6F19 N24 N29F19-V27 HydrophobicContact CB-CG2 4.14Å; F19-V27 HydrophobicContact CD1-CB 4.29Å; F19-V27 HydrophobicContact CD1-CG1 3.91Å; F19-V27 HydrophobicContact CD1-CG2 4.22Å; F19-V27 HydrophobicContact CE1-CG1 4.42Å; F19-V27 WeakPolarHBondContact O-CG2 3.23Å; N24-V27 HydrophobicContact CB-CB 4.31Å; N24-V27 HydrophobicContact CB-CG1 3.88Å; N24-V27 HydrophobicContact CB-CG2 3.89Å; N24-V27 WeakPolarHBondContact ND2-CG1 3.4Å; N24-V27 PolarHBondContact ND2-N 2.93Å; N24-V27 WeakPolarHBondContact O-CG2 3.43Å; N24-V27 PolarHBondContact O-N 3.13Å; V27-N29 PolarHBondContact O-N 3.19Å
28S60.2Low72.8Confident73 Ų7383.4 Ų83.451%0.5144%0.439SS..  trans-35.7119173.3-50.30000109.2D26 T30 K31D26-S28 PolarHBondContact O-N 2.92Å; S28-T30 WeakPolarHBondContact CB-OG1 3.32Å; S28-T30 PolarHBondContact O-N 3.02Å; S28-T30 PolarHBondContact O-OG1 3.41Å; S28-K31 PolarHBondContact O-N 3.04Å
29N68.4Low73.2Confident84 Ų8477.5 Ų77.545%0.44941%0.413SS..Hα-helixtrans-34.8-32.9172.6-176.930000112.4V27 K31 F32 L33 H141V27-N29 PolarHBondContact O-N 3.19Å; N29-K31 PolarHBondContact O-N 2.89Å; N29-F32 PolarHBondContact O-N 3.49Å; N29-F32 VanDerWaalsContact O-N 3.15Å; N29-L33 WeakPolarHBondContact O-CG 3.19Å; N29-L33 PolarHBondContact O-N 3.2Å; N29-H141 PolarHBondContact ND2-OXT 2.9Å
30T71Confident73.7Confident62 Ų6277.1 Ų77.138%0.3842%0.416SS..Hα-helixtrans-42.9-47.7170.465.50000115.3S28 F32 L33 V34S28-T30 WeakPolarHBondContact CB-OG1 3.32Å; S28-T30 PolarHBondContact O-N 3.02Å; S28-T30 PolarHBondContact O-OG1 3.41Å; T30-F32 PolarHBondContact O-N 3.48Å; T30-L33 PolarHBondContact O-N 2.77Å; T30-V34 VanDerWaalsContact O-CG2 3.23Å; T30-V34 WeakPolarHBondContact O-CG2 3.3Å; T30-V34 PolarHBondContact O-N 3.14Å
31K77.8Confident74.3Confident105 Ų10573.4 Ų73.446%0.45740%0.4SS..Hα-helixtrans-64.9-43.3-178.4-71.2-178.5-174.4167.50111.6F19 S28 N29 V34 I35F19-K31 HydrophobicContact CD1-CB 4.47Å; F19-K31 HydrophobicContact CD1-CD 3.89Å; F19-K31 HydrophobicContact CE1-CD 3.72Å; F19-K31 HydrophobicContact CG-CB 4.48Å; F19-K31 HydrophobicContact CZ-CD 4.34Å; S28-K31 PolarHBondContact O-N 3.04Å; N29-K31 PolarHBondContact O-N 2.89Å; K31-V34 PolarHBondContact O-N 2.84Å; K31-I35 WeakPolarHBondContact O-CD1 3.38Å; K31-I35 VanDerWaalsContact O-CG1 3.23Å; K31-I35 WeakPolarHBondContact O-CG1 3.47Å; K31-I35 PolarHBondContact O-N 3.14Å
32F81.3Confident75.1Confident57 Ų5772.5 Ų72.525%0.2539%0.39CS..Hα-helixtrans-63-46.6177.2178.6-98.4000110.8R16 N29 T30 V34 I35 E36R16-F32 HydrophobicContact CB-CE2 4.28Å; R16-F32 HydrophobicContact CG-CD2 4.39Å; R16-F32 HydrophobicContact CG-CE2 3.97Å; N29-F32 PolarHBondContact O-N 3.49Å; N29-F32 VanDerWaalsContact O-N 3.15Å; T30-F32 PolarHBondContact O-N 3.48Å; F32-V34 VanDerWaalsContact C-N 3.34Å; F32-V34 PolarHBondContact O-N 2.81Å; F32-I35 WeakPolarHBondContact O-CB 3.2Å; F32-I35 PolarHBondContact O-N 3.04Å; F32-I35 VanDerWaalsContact O-N 3.11Å; F32-E36 HydrophobicContact CD1-CG 4.03Å; F32-E36 HydrophobicContact CE1-CG 3.58Å; F32-E36 HydrophobicContact CE2-CG 4.35Å; F32-E36 WeakPolarHBondContact CE2-OE1 3.38Å; F32-E36 HydrophobicContact CZ-CG 3.76Å; F32-E36 VanDerWaalsContact CZ-OE1 3.31Å; F32-E36 WeakPolarHBondContact CZ-OE1 3.42Å; F32-E36 WeakPolarHBondContact O-CG 3.33Å; F32-E36 PolarHBondContact O-N 2.78Å
33L79.6Confident75.6Confident63 Ų6373.1 Ų73.133%0.3338%0.383SS..Hα-helixtrans-59.9-41.4177.6-65.5172.6000112.7N29 T30 I35 E36 R37N29-L33 WeakPolarHBondContact O-CG 3.19Å; N29-L33 PolarHBondContact O-N 3.2Å; T30-L33 PolarHBondContact O-N 2.77Å; L33-I35 VanDerWaalsContact C-N 3.33Å; L33-I35 PolarHBondContact O-N 2.99Å; L33-E36 PolarHBondContact O-N 2.77Å; L33-R37 VanDerWaalsContact O-CB 3.27Å; L33-R37 WeakPolarHBondContact O-CB 3.2Å; L33-R37 PolarHBondContact O-N 2.78Å
34V81.8Confident76.4Confident88 Ų8867.6 Ų67.653%0.53336%0.364SS..Hα-helixtrans-63.7-40175.7171.70000111.1T30 K31 F32 R37 A38T30-V34 VanDerWaalsContact O-CG2 3.23Å; T30-V34 WeakPolarHBondContact O-CG2 3.3Å; T30-V34 PolarHBondContact O-N 3.14Å; K31-V34 PolarHBondContact O-N 2.84Å; F32-V34 VanDerWaalsContact C-N 3.34Å; F32-V34 PolarHBondContact O-N 2.81Å; V34-R37 PolarHBondContact O-N 2.86Å; V34-A38 WeakPolarHBondContact O-CB 3.34Å; V34-A38 PolarHBondContact O-N 2.81Å
35I85.2Confident77.4Confident26 Ų2667.9 Ų67.913%0.13337%0.369CS..Hα-helixtrans-65.4-47.1176.2-67.6160.3000111V12 A15 R16 F19 K31 F32 L33 R37 A38 W39V12-I35 HydrophobicContact CG1-CG2 3.85Å; A15-I35 HydrophobicContact CB-CD1 3.8Å; A15-I35 HydrophobicContact CB-CG1 4.42Å; A15-I35 HydrophobicContact CB-CG2 4.43Å; R16-I35 HydrophobicContact CG-CG2 3.96Å; F19-I35 HydrophobicContact CB-CD1 4.49Å; F19-I35 HydrophobicContact CD2-CD1 3.57Å; F19-I35 HydrophobicContact CE2-CD1 4.23Å; F19-I35 HydrophobicContact CG-CD1 4.36Å; K31-I35 WeakPolarHBondContact O-CD1 3.38Å; K31-I35 VanDerWaalsContact O-CG1 3.23Å; K31-I35 WeakPolarHBondContact O-CG1 3.47Å; K31-I35 PolarHBondContact O-N 3.14Å; F32-I35 WeakPolarHBondContact O-CB 3.2Å; F32-I35 PolarHBondContact O-N 3.04Å; F32-I35 VanDerWaalsContact O-N 3.11Å; L33-I35 VanDerWaalsContact C-N 3.33Å; L33-I35 PolarHBondContact O-N 2.99Å; I35-R37 VanDerWaalsContact C-N 3.3Å; I35-R37 PolarHBondContact O-N 2.79Å; I35-A38 PolarHBondContact O-N 2.69Å; I35-W39 VanDerWaalsContact O-CB 3.25Å; I35-W39 WeakPolarHBondContact O-CB 3.37Å; I35-W39 PolarHBondContact O-N 3.41Å
36E84.4Confident78.4Confident56 Ų5669.4 Ų69.426%0.26237%0.366SS..Hα-helixtrans-57.1-45.5176.1-71.1-57.112500111.4R16 F32 L33 W39 S40R16-E36 VanDerWaalsContact CD-OE1 3.31Å; R16-E36 WeakPolarHBondContact CD-OE1 3.5Å; R16-E36 IonicContact CZ-OE1 2.93Å; R16-E36 IonicContact CZ-OE2 2.68Å; R16-E36 VanDerWaalsContact CZ-OE2 3.22Å; R16-E36 IonicContact NE-OE1 3.7Å; R16-E36 PolarHBondContact NE-OE1 3.15Å; R16-E36 IonicContact NH1-OE1 2.63Å; R16-E36 PolarHBondContact NH1-OE1 3.07Å; R16-E36 VanDerWaalsContact NH1-OE1 3.13Å; R16-E36 IonicContact NH1-OE2 3.13Å; R16-E36 PolarHBondContact NH1-OE2 3.1Å; R16-E36 IonicContact NH2-OE1 3.75Å; R16-E36 PolarHBondContact NH2-OE1 2.89Å; R16-E36 IonicContact NH2-OE2 2.89Å; R16-E36 PolarHBondContact NH2-OE2 3.05Å; F32-E36 HydrophobicContact CD1-CG 4.03Å; F32-E36 HydrophobicContact CE1-CG 3.58Å; F32-E36 HydrophobicContact CE2-CG 4.35Å; F32-E36 WeakPolarHBondContact CE2-OE1 3.38Å; F32-E36 HydrophobicContact CZ-CG 3.76Å; F32-E36 VanDerWaalsContact CZ-OE1 3.31Å; F32-E36 WeakPolarHBondContact CZ-OE1 3.42Å; F32-E36 WeakPolarHBondContact O-CG 3.33Å; F32-E36 PolarHBondContact O-N 2.78Å; L33-E36 PolarHBondContact O-N 2.77Å; E36-W39 WeakPolarHBondContact O-CB 3.43Å; E36-W39 PolarHBondContact O-N 3.04Å; E36-S40 PolarHBondContact O-N 2.86Å
37R83.8Confident79.3Confident77 Ų7765.3 Ų65.329%0.29134%0.341SS..Hα-helixtrans-62.6-52.6178.8177.7-173.6-73.3-172.62.3112.1L33 V34 I35 W39 S40 V41 L118 Q120L33-R37 VanDerWaalsContact O-CB 3.27Å; L33-R37 WeakPolarHBondContact O-CB 3.2Å; L33-R37 PolarHBondContact O-N 2.78Å; V34-R37 PolarHBondContact O-N 2.86Å; I35-R37 VanDerWaalsContact C-N 3.3Å; I35-R37 PolarHBondContact O-N 2.79Å; R37-W39 PolarHBondContact O-N 2.94Å; R37-S40 PolarHBondContact O-N 3.47Å; R37-S40 VanDerWaalsContact O-N 3.14Å; R37-V41 PolarHBondContact O-N 3.25Å; R37-L118 HydrophobicContact CB-CD1 4.25Å; R37-L118 WeakPolarHBondContact CD-O 3.45Å; R37-L118 HydrophobicContact CG-CD1 3.74Å; R37-L118 HydrophobicContact CG-CG 3.9Å; R37-L118 WeakPolarHBondContact CG-O 3.46Å; R37-L118 PolarHBondContact NE-O 3.25Å; R37-Q120 VanDerWaalsContact CZ-CD 3.49Å; R37-Q120 VanDerWaalsContact NH1-CG 3.32Å
38A84.8Confident80.6Confident43 Ų4366.8 Ų66.836%0.35534%0.344SS..Hα-helixtrans-58.6-41177.900000111V34 I35 V41 L42V34-A38 WeakPolarHBondContact O-CB 3.34Å; V34-A38 PolarHBondContact O-N 2.81Å; I35-A38 PolarHBondContact O-N 2.69Å; A38-V41 PolarHBondContact O-N 3.01Å; A38-L42 WeakPolarHBondContact O-CB 3.48Å; A38-L42 VanDerWaalsContact O-CG 3.25Å; A38-L42 WeakPolarHBondContact O-CG 3.22Å; A38-L42 PolarHBondContact O-N 3.19Å
39W86.9Confident81.8Confident29 Ų2971.1 Ų71.111%0.1135%0.353CS..Hα-helixtrans-61.9-44.4174.9175.7-115.5000112.8I8 K9 V12 I35 E36 R37 V41 L42 R43I8-W39 HydrophobicContact CB-CZ3 3.94Å; I8-W39 HydrophobicContact CG2-CE3 3.78Å; I8-W39 HydrophobicContact CG2-CZ3 3.63Å; K9-W39 HydrophobicContact CB-CH2 3.4Å; K9-W39 VanDerWaalsContact CB-CH2 3.4Å; K9-W39 HydrophobicContact CB-CZ2 4.01Å; K9-W39 HydrophobicContact CB-CZ3 3.96Å; K9-W39 HydrophobicContact CD-CH2 4.45Å; K9-W39 HydrophobicContact CD-CZ2 4.39Å; K9-W39 HydrophobicContact CG-CH2 3.78Å; K9-W39 HydrophobicContact CG-CZ2 3.84Å; V12-W39 HydrophobicContact CB-CD2 4.32Å; V12-W39 HydrophobicContact CB-CE3 4.12Å; V12-W39 HydrophobicContact CG1-CB 3.74Å; V12-W39 HydrophobicContact CG1-CD2 3.98Å; V12-W39 HydrophobicContact CG1-CE3 4.28Å; V12-W39 HydrophobicContact CG1-CG 3.76Å; V12-W39 HydrophobicContact CG2-CB 4.08Å; V12-W39 HydrophobicContact CG2-CD2 4.25Å; V12-W39 HydrophobicContact CG2-CE3 3.77Å; V12-W39 HydrophobicContact CG2-CG 4.43Å; I35-W39 VanDerWaalsContact O-CB 3.25Å; I35-W39 WeakPolarHBondContact O-CB 3.37Å; I35-W39 PolarHBondContact O-N 3.41Å; E36-W39 WeakPolarHBondContact O-CB 3.43Å; E36-W39 PolarHBondContact O-N 3.04Å; R37-W39 PolarHBondContact O-N 2.94Å; W39-V41 PolarHBondContact O-N 3.42Å; W39-L42 PolarHBondContact O-N 3.16Å; W39-R43 HydrophobicContact CD2-CB 4.05Å; W39-R43 HydrophobicContact CE3-CB 4.23Å; W39-R43 HydrophobicContact CH2-CB 4Å; W39-R43 HydrophobicContact CH2-CG 4.01Å; W39-R43 HydrophobicContact CZ2-CB 3.84Å; W39-R43 HydrophobicContact CZ2-CG 3.65Å; W39-R43 HydrophobicContact CZ3-CB 4.2Å; W39-R43 WeakPolarHBondContact O-CA 3.5Å; W39-R43 WeakPolarHBondContact O-CB 3.31Å; W39-R43 PolarHBondContact O-N 3.25Å
40S84.5Confident82.6Confident44 Ų4469.3 Ų69.331%0.30835%0.35SS..Hα-helixtrans-59.5-34.5179.7-177.10000112.4E36 R37 K47 L118E36-S40 PolarHBondContact O-N 2.86Å; R37-S40 PolarHBondContact O-N 3.47Å; R37-S40 VanDerWaalsContact O-N 3.14Å; S40-K47 WeakPolarHBondContact O-CD 3.43Å; S40-L118 WeakPolarHBondContact OG-CD2 3.36Å
41V83.7Confident83.3Confident7 Ų770.5 Ų70.54%0.04235%0.348CS..Hα-helixtrans-73.5-48.4172.3-178.40000112R37 A38 W39 K47 R48 Y51 L115 L118 C119R37-V41 PolarHBondContact O-N 3.25Å; A38-V41 PolarHBondContact O-N 3.01Å; W39-V41 PolarHBondContact O-N 3.42Å; V41-K47 WeakPolarHBondContact O-CB 3.42Å; V41-R48 PolarHBondContact O-N 3.34Å; V41-Y51 HydrophobicContact CG1-CD1 4.23Å; V41-Y51 HydrophobicContact CG1-CD2 4.19Å; V41-Y51 HydrophobicContact CG1-CG 3.73Å; V41-L115 HydrophobicContact CB-CD1 4.24Å; V41-L115 HydrophobicContact CG1-CD1 3.94Å; V41-L115 HydrophobicContact CG2-CD1 3.71Å; V41-L118 HydrophobicContact CG2-CD2 3.48Å; V41-L118 VanDerWaalsContact CG2-CD2 3.48Å; V41-L118 HydrophobicContact CG2-CG 4.07Å; V41-C119 VanDerWaalsContact CG2-SG 3.55Å
42L83.9Confident83.8Confident61 Ų6168.9 Ų68.932%0.31934%0.344SS..Hα-helixtrans-78.7-20.7-171.1-68.6174.1000113.6I8 A38 W39 C44 R48I8-L42 HydrophobicContact CD1-CB 4.47Å; I8-L42 HydrophobicContact CG2-CB 4Å; I8-L42 HydrophobicContact CG2-CD1 4.2Å; A38-L42 WeakPolarHBondContact O-CB 3.48Å; A38-L42 VanDerWaalsContact O-CG 3.25Å; A38-L42 WeakPolarHBondContact O-CG 3.22Å; A38-L42 PolarHBondContact O-N 3.19Å; W39-L42 PolarHBondContact O-N 3.16Å; L42-C44 VanDerWaalsContact C-N 3.34Å; L42-C44 PolarHBondContact O-N 2.79Å; L42-R48 HydrophobicContact CD2-CG 4.3Å; L42-R48 PolarHBondContact O-NH2 3.39Å
43R81.6Confident84Confident146 Ų14668.8 Ų68.855%0.55136%0.355SS*.SBendtrans-61.8-40.2-178.5175.6-179.2177.4-169.5-1.8112W39W39-R43 HydrophobicContact CD2-CB 4.05Å; W39-R43 HydrophobicContact CE3-CB 4.23Å; W39-R43 HydrophobicContact CH2-CB 4Å; W39-R43 HydrophobicContact CH2-CG 4.01Å; W39-R43 HydrophobicContact CZ2-CB 3.84Å; W39-R43 HydrophobicContact CZ2-CG 3.65Å; W39-R43 HydrophobicContact CZ3-CB 4.2Å; W39-R43 WeakPolarHBondContact O-CA 3.5Å; W39-R43 WeakPolarHBondContact O-CB 3.31Å; W39-R43 PolarHBondContact O-N 3.25Å
44C81.8Confident84.2Confident44 Ų4467.2 Ų67.230%0.29735%0.346SS..SBendtrans-106.7129.1-177.3-650000110L42 E46 K47 R48L42-C44 VanDerWaalsContact C-N 3.34Å; L42-C44 PolarHBondContact O-N 2.79Å; C44-E46 PolarHBondContact O-N 2.97Å; C44-K47 HydrophobicContact CB-CB 4.11Å; C44-K47 HydrophobicContact CB-CD 4.49Å; C44-K47 HydrophobicContact CB-CG 4.04Å; C44-K47 PolarHBondContact O-N 3.19Å; C44-R48 PolarHBondContact O-N 2.85Å
45P82.3Confident84.4Confident72 Ų7267.1 Ų67.147%0.46834%0.342SS..Hα-helixtrans-60.6-32178.224.4-33.4000112.1E5 R48 K49E5-P45 WeakPolarHBondContact OE1-CD 3.28Å; P45-R48 PolarHBondContact O-N 3Å; P45-K49 WeakPolarHBondContact O-CB 3.35Å; P45-K49 PolarHBondContact O-N 3.34Å
46E83.1Confident84.4Confident155 Ų15574.2 Ų74.272%0.72437%0.367SS*.Hα-helixtrans-65.2-47.4176-64.6176.695.800112C44 R48 K49 A50C44-E46 PolarHBondContact O-N 2.97Å; E46-R48 VanDerWaalsContact C-N 3.33Å; E46-R48 PolarHBondContact O-N 3.23Å; E46-K49 PolarHBondContact O-N 3.35Å; E46-A50 WeakPolarHBondContact O-CB 3.48Å; E46-A50 PolarHBondContact O-N 3.02Å
47K83.1Confident84.3Confident55 Ų5574.6 Ų74.624%0.23937%0.369CS..Hα-helixtrans-63.9-38.8175.2-69.7-164.7178.8-156.90111.7S40 V41 C44 A50 Y51 D114 L115S40-K47 WeakPolarHBondContact O-CD 3.43Å; V41-K47 WeakPolarHBondContact O-CB 3.42Å; C44-K47 HydrophobicContact CB-CB 4.11Å; C44-K47 HydrophobicContact CB-CD 4.49Å; C44-K47 HydrophobicContact CB-CG 4.04Å; C44-K47 PolarHBondContact O-N 3.19Å; K47-A50 PolarHBondContact O-N 3.44Å; K47-Y51 WeakPolarHBondContact O-CB 3.15Å; K47-Y51 PolarHBondContact O-N 2.89Å; K47-D114 IonicContact NZ-OD2 2.82Å; K47-D114 PolarHBondContact NZ-OD2 3.39Å; K47-L115 HydrophobicContact CB-CD1 4.29Å; K47-L115 WeakPolarHBondContact O-CD2 3.17Å
48R83.7Confident84.2Confident56 Ų5673.6 Ų73.621%0.21137%0.368CS..Hα-helixtrans-59.6-48.1174-168.1-174.9-55.8157.75.4111.4V41 L42 C44 P45 E46 A50 Y51 D52V41-R48 PolarHBondContact O-N 3.34Å; L42-R48 HydrophobicContact CD2-CG 4.3Å; L42-R48 PolarHBondContact O-NH2 3.39Å; C44-R48 PolarHBondContact O-N 2.85Å; P45-R48 PolarHBondContact O-N 3Å; E46-R48 VanDerWaalsContact C-N 3.33Å; E46-R48 PolarHBondContact O-N 3.23Å; R48-A50 VanDerWaalsContact C-N 3.34Å; R48-A50 PolarHBondContact O-N 3.14Å; R48-Y51 WeakPolarHBondContact O-CB 3.32Å; R48-Y51 PolarHBondContact O-N 3.15Å; R48-D52 PolarHBondContact O-N 3.44Å
49K85.9Confident84.1Confident163 Ų16378 Ų7871%0.70938%0.379SS*.Hα-helixtrans-62-41.2177.5-174.9179.8178.8-176.70112.3P45 E46 Y51 D52 A53P45-K49 WeakPolarHBondContact O-CB 3.35Å; P45-K49 PolarHBondContact O-N 3.34Å; E46-K49 PolarHBondContact O-N 3.35Å; K49-Y51 VanDerWaalsContact C-N 3.34Å; K49-D52 PolarHBondContact O-N 3.27Å; K49-A53 PolarHBondContact O-N 3.45Å
50A85Confident83.8Confident46 Ų4682.7 Ų82.738%0.3841%0.405SS..Hα-helixtrans-66.8-37.1176.200000111.7E46 K47 R48 A53 L54 L115E46-A50 WeakPolarHBondContact O-CB 3.48Å; E46-A50 PolarHBondContact O-N 3.02Å; K47-A50 PolarHBondContact O-N 3.44Å; R48-A50 VanDerWaalsContact C-N 3.34Å; R48-A50 PolarHBondContact O-N 3.14Å; A50-A53 WeakPolarHBondContact O-CB 3.46Å; A50-A53 PolarHBondContact O-N 2.92Å; A50-L54 WeakPolarHBondContact O-CB 3.48Å; A50-L54 PolarHBondContact O-N 3.5Å; A50-L115 HydrophobicContact CB-CD2 3.31Å
51Y85.1Confident83.4Confident88 Ų8881.5 Ų81.535%0.34540%0.395SS..Hα-helixtrans-64.1-44.9173.8177.9-107.8000111.8V41 K47 R48 K49 A53 L54 L55 C119V41-Y51 HydrophobicContact CG1-CD1 4.23Å; V41-Y51 HydrophobicContact CG1-CD2 4.19Å; V41-Y51 HydrophobicContact CG1-CG 3.73Å; K47-Y51 WeakPolarHBondContact O-CB 3.15Å; K47-Y51 PolarHBondContact O-N 2.89Å; R48-Y51 WeakPolarHBondContact O-CB 3.32Å; R48-Y51 PolarHBondContact O-N 3.15Å; K49-Y51 VanDerWaalsContact C-N 3.34Å; Y51-A53 VanDerWaalsContact C-N 3.28Å; Y51-A53 PolarHBondContact O-N 2.87Å; Y51-L54 WeakPolarHBondContact O-CB 3.46Å; Y51-L54 PolarHBondContact O-N 3.44Å; Y51-L55 WeakPolarHBondContact O-CB 2.94Å; Y51-L55 PolarHBondContact O-N 3.24Å; Y51-C119 HydrophobicContact CD2-CB 3.97Å; Y51-C119 WeakPolarHBondContact CD2-SG 3.02Å; Y51-C119 HydrophobicContact CE2-CB 3.79Å; Y51-C119 WeakPolarHBondContact CE2-SG 3.3Å
52D87.6Confident82.9Confident70 Ų7084 Ų8437%0.37441%0.413SS..Hα-helixtrans-57.3-41.5173-90.8-80.3000112R48 K49 R56R48-D52 PolarHBondContact O-N 3.44Å; K49-D52 PolarHBondContact O-N 3.27Å; D52-R56 VanDerWaalsContact O-CG 3.31Å; D52-R56 WeakPolarHBondContact O-CG 3.27Å; D52-R56 PolarHBondContact O-N 3.34Å; D52-R56 VanDerWaalsContact O-N 3.1Å
53A86.4Confident82.3Confident56 Ų5688.2 Ų88.246%0.46343%0.43SS..Hα-helixtrans-65.3-43.217600000112K49 A50 Y51 R56 Q57K49-A53 PolarHBondContact O-N 3.45Å; A50-A53 WeakPolarHBondContact O-CB 3.46Å; A50-A53 PolarHBondContact O-N 2.92Å; Y51-A53 VanDerWaalsContact C-N 3.28Å; Y51-A53 PolarHBondContact O-N 2.87Å; A53-R56 PolarHBondContact O-N 3.38Å; A53-Q57 PolarHBondContact O-N 2.81Å
54L84.8Confident81.8Confident29 Ų2983.9 Ų83.915%0.15242%0.422CS..Hα-helixtrans-63.4-41.7177.3-170.965.1000112A50 Y51 R56 Q57 H58 A116 C119 V121A50-L54 WeakPolarHBondContact O-CB 3.48Å; A50-L54 PolarHBondContact O-N 3.5Å; Y51-L54 WeakPolarHBondContact O-CB 3.46Å; Y51-L54 PolarHBondContact O-N 3.44Å; L54-R56 PolarHBondContact O-N 3.11Å; L54-Q57 WeakPolarHBondContact O-CB 3.37Å; L54-Q57 PolarHBondContact O-N 3.49Å; L54-H58 WeakPolarHBondContact O-CB 3.14Å; L54-H58 PolarHBondContact O-N 3.05Å; L54-A116 HydrophobicContact CD2-CB 4.17Å; L54-C119 HydrophobicContact CD2-CB 4.26Å; L54-V121 HydrophobicContact CD1-CG1 3.89Å; L54-V121 HydrophobicContact CD2-CG1 3.28Å; L54-V121 HydrophobicContact CG-CG1 3.56Å
55L84.8Confident80.9Confident87 Ų8787.4 Ų87.446%0.45546%0.455SS..Hα-helixtrans-63.9-41176.7-175.363.6000111.7Y51 Q57 H58 K59Y51-L55 WeakPolarHBondContact O-CB 2.94Å; Y51-L55 PolarHBondContact O-N 3.24Å; L55-Q57 VanDerWaalsContact C-N 3.34Å; L55-H58 PolarHBondContact O-N 2.89Å; L55-K59 WeakPolarHBondContact O-CB 3.25Å; L55-K59 PolarHBondContact O-N 2.73Å
56R86.1Confident80.3Confident175 Ų17587.2 Ų87.266%0.6647%0.465SS*.Hα-helixtrans-60.9-44.7173.7-72.3171.8-170.8176.93.5111.3D52 A53 L54 K59 I60D52-R56 VanDerWaalsContact O-CG 3.31Å; D52-R56 WeakPolarHBondContact O-CG 3.27Å; D52-R56 PolarHBondContact O-N 3.34Å; D52-R56 VanDerWaalsContact O-N 3.1Å; A53-R56 PolarHBondContact O-N 3.38Å; L54-R56 PolarHBondContact O-N 3.11Å; R56-K59 PolarHBondContact O-N 3.29Å; R56-I60 WeakPolarHBondContact O-CD1 3.12Å; R56-I60 VanDerWaalsContact O-CG1 3.31Å; R56-I60 WeakPolarHBondContact O-CG1 3.31Å; R56-I60 PolarHBondContact O-N 3.22Å; R56-I60 VanDerWaalsContact O-N 3.14Å
57Q81.9Confident79.8Confident64 Ų6481.5 Ų81.530%0.29944%0.44SS..Hα-helixtrans-60.9-46.8176.3-173.3-17325.600111.3A53 L54 L55 K59 I60 I61 K125A53-Q57 PolarHBondContact O-N 2.81Å; L54-Q57 WeakPolarHBondContact O-CB 3.37Å; L54-Q57 PolarHBondContact O-N 3.49Å; L55-Q57 VanDerWaalsContact C-N 3.34Å; Q57-K59 VanDerWaalsContact C-N 3.31Å; Q57-K59 PolarHBondContact O-N 3.34Å; Q57-I60 WeakPolarHBondContact O-CB 3.39Å; Q57-I60 PolarHBondContact O-N 3.22Å; Q57-I61 HydrophobicContact CG-CD1 3.87Å; Q57-I61 WeakPolarHBondContact O-CB 3.42Å; Q57-I61 WeakPolarHBondContact O-CG1 3.42Å; Q57-I61 PolarHBondContact O-N 3.15Å; Q57-K125 VanDerWaalsContact NE2-CD 3.33Å
58H81.5Confident79.7Confident55 Ų5581.9 Ų81.926%0.25545%0.448SS..Hα-helixtrans-59.3-41.9177.7-179.684.3000111.8L54 L55 I60 I61 S62 P122 Y123L54-H58 WeakPolarHBondContact O-CB 3.14Å; L54-H58 PolarHBondContact O-N 3.05Å; L55-H58 PolarHBondContact O-N 2.89Å; H58-I60 VanDerWaalsContact C-N 3.33Å; H58-I60 PolarHBondContact O-N 3.19Å; H58-I61 CarbonylContact O-C 3.59Å; H58-I61 WeakPolarHBondContact O-CB 3.35Å; H58-I61 PolarHBondContact O-N 3.25Å; H58-S62 WeakPolarHBondContact O-CB 3.41Å; H58-S62 PolarHBondContact O-N 2.82Å; H58-S62 PolarHBondContact O-OG 3.1Å; H58-P122 WeakPolarHBondContact CE1-CG 3.33Å; H58-Y123 AromaticContact CE1-CD2 3.75Å; H58-Y123 AromaticContact CE1-CE2 3.64Å; H58-Y123 AromaticContact ND1-CD2 3.76Å
59K83.2Confident79.9Confident136 Ų13682.6 Ų82.659%0.59146%0.455SS*.Hα-helixtrans-64.7-36.4178.6-169.3174.5-176.2176.70112.9L55 R56 Q57 I61 S62 H63L55-K59 WeakPolarHBondContact O-CB 3.25Å; L55-K59 PolarHBondContact O-N 2.73Å; R56-K59 PolarHBondContact O-N 3.29Å; Q57-K59 VanDerWaalsContact C-N 3.31Å; Q57-K59 PolarHBondContact O-N 3.34Å; K59-I61 VanDerWaalsContact C-N 3.35Å; K59-S62 PolarHBondContact O-OG 3.26Å; K59-H63 WeakPolarHBondContact O-CB 3.4Å; K59-H63 PolarHBondContact O-N 3.37Å
60I80.4Confident79.8Confident127 Ų12776.5 Ų76.565%0.65143%0.429SS*.Hα-helixtrans-64.8-45.3173.9-65.8162000109.6R56 Q57 H58 S64R56-I60 WeakPolarHBondContact O-CD1 3.12Å; R56-I60 VanDerWaalsContact O-CG1 3.31Å; R56-I60 WeakPolarHBondContact O-CG1 3.31Å; R56-I60 PolarHBondContact O-N 3.22Å; R56-I60 VanDerWaalsContact O-N 3.14Å; Q57-I60 WeakPolarHBondContact O-CB 3.39Å; Q57-I60 PolarHBondContact O-N 3.22Å; H58-I60 VanDerWaalsContact C-N 3.33Å; H58-I60 PolarHBondContact O-N 3.19Å; I60-S64 PolarHBondContact O-N 3.35Å
61I74.9Confident79.9Confident20 Ų2075.9 Ų75.910%0.10342%0.422CS..Hα-helixtrans-59.6-58177.6-76.7164.9000109.9Q57 H58 K59 H63 S64 L67 Y123 L132Q57-I61 HydrophobicContact CG-CD1 3.87Å; Q57-I61 WeakPolarHBondContact O-CB 3.42Å; Q57-I61 WeakPolarHBondContact O-CG1 3.42Å; Q57-I61 PolarHBondContact O-N 3.15Å; H58-I61 CarbonylContact O-C 3.59Å; H58-I61 WeakPolarHBondContact O-CB 3.35Å; H58-I61 PolarHBondContact O-N 3.25Å; K59-I61 VanDerWaalsContact C-N 3.35Å; I61-H63 VanDerWaalsContact C-N 3.25Å; I61-H63 PolarHBondContact O-N 3.25Å; I61-H63 VanDerWaalsContact O-N 3.16Å; I61-S64 PolarHBondContact O-N 3.14Å; I61-S64 PolarHBondContact O-OG 2.82Å; I61-L67 HydrophobicContact CB-CD2 4Å; I61-L67 HydrophobicContact CG1-CD2 4.17Å; I61-L67 HydrophobicContact CG2-CD1 3.65Å; I61-L67 HydrophobicContact CG2-CD2 3.55Å; I61-L67 HydrophobicContact CG2-CG 4.21Å; I61-L67 WeakPolarHBondContact O-CD1 3.36Å; I61-L67 WeakPolarHBondContact O-CG 3.47Å; I61-Y123 HydrophobicContact CG2-CD2 3.41Å; I61-Y123 VanDerWaalsContact CG2-CD2 3.41Å; I61-Y123 HydrophobicContact CG2-CE2 3.89Å; I61-Y123 HydrophobicContact CG2-CG 3.86Å; I61-L132 HydrophobicContact CD1-CD2 3.53Å; I61-L132 HydrophobicContact CG1-CD2 3.9Å; I61-L132 HydrophobicContact CG2-CD2 4.22Å
62S73.6Confident80.2Confident60 Ų6077.4 Ų77.442%0.4244%0.436SS..Hα-helixtrans-62.7-26.7-174.270.50000114.3H58 K59H58-S62 WeakPolarHBondContact O-CB 3.41Å; H58-S62 PolarHBondContact O-N 2.82Å; H58-S62 PolarHBondContact O-OG 3.1Å; K59-S62 PolarHBondContact O-OG 3.26Å
63H72.2Confident80.4Confident149 Ų14974.2 Ų74.269%0.6942%0.419SS*.Hα-helixtrans-80.7-19.4176.3-98.3-103.6000113.8K59 I61 A65K59-H63 WeakPolarHBondContact O-CB 3.4Å; K59-H63 PolarHBondContact O-N 3.37Å; I61-H63 VanDerWaalsContact C-N 3.25Å; I61-H63 PolarHBondContact O-N 3.25Å; I61-H63 VanDerWaalsContact O-N 3.16Å; H63-A65 PolarHBondContact O-N 3.2Å
64S70.4Confident80.6Confident55 Ų5574 Ų7439%0.38541%0.414SS..  trans-77.6104.4174.8580000109.5I60 I61 G66 L67I60-S64 PolarHBondContact O-N 3.35Å; I61-S64 PolarHBondContact O-N 3.14Å; I61-S64 PolarHBondContact O-OG 2.82Å; S64-G66 PolarHBondContact O-N 3.37Å; S64-L67 WeakPolarHBondContact OG-CD2 3.48Å; S64-L67 WeakPolarHBondContact OG-CG 3.23Å
65A63.4Low80.9Confident118 Ų11874.4 Ų74.498%0.97542%0.415SS*.THydrogen-bonded Turntrans-6725.4-176.400000115.1H63H63-A65 PolarHBondContact O-N 3.2Å
66G69.3Low81Confident67 Ų6777 Ų7769%0.69143%0.429SS*.THydrogen-bonded Turntrans-169.846.7-173.500000112S64S64-G66 PolarHBondContact O-N 3.37Å
67L73.6Confident81.1Confident36 Ų3673 Ų7319%0.18842%0.418CS..  trans-59.1134.6176.7-76.2149.8000111I61 S64 I69 L132I61-L67 HydrophobicContact CB-CD2 4Å; I61-L67 HydrophobicContact CG1-CD2 4.17Å; I61-L67 HydrophobicContact CG2-CD1 3.65Å; I61-L67 HydrophobicContact CG2-CD2 3.55Å; I61-L67 HydrophobicContact CG2-CG 4.21Å; I61-L67 WeakPolarHBondContact O-CD1 3.36Å; I61-L67 WeakPolarHBondContact O-CG 3.47Å; S64-L67 WeakPolarHBondContact OG-CD2 3.48Å; S64-L67 WeakPolarHBondContact OG-CG 3.23Å; L67-I69 HydrophobicContact CB-CD1 4.25Å; L67-I69 HydrophobicContact CB-CG1 3.87Å; L67-I69 PolarHBondContact O-N 3.04Å; L67-L132 HydrophobicContact CD2-CD1 3.85Å; L67-L132 HydrophobicContact CD2-CD2 4.35Å
68P81Confident81.5Confident63 Ų6370.7 Ų70.741%0.40941%0.407SS..  trans-77.968.7174.535.2-36.7000109.9Q70 S130 L131 L132P68-Q70 PolarHBondContact O-N 3.45Å; P68-S130 WeakPolarHBondContact CG-O 3.46Å; P68-L131 HydrophobicContact CB-CD2 4.05Å; P68-L132 HydrophobicContact CG-CD1 4.04Å; P68-L132 PolarHBondContact O-N 3.35Å
69I86.5Confident81.8Confident71 Ų7173 Ų7336%0.36442%0.418SS..EExtended strand (participates in β ladder)trans-74.7118.2172.8-57.1171.4000107.2L67 Y123 L132 H134L67-I69 HydrophobicContact CB-CD1 4.25Å; L67-I69 HydrophobicContact CB-CG1 3.87Å; L67-I69 PolarHBondContact O-N 3.04Å; I69-Y123 HydrophobicContact CD1-CD1 4.3Å; I69-Y123 HydrophobicContact CD1-CE1 3.7Å; I69-Y123 HydrophobicContact CG1-CE1 4.44Å; I69-L132 WeakPolarHBondContact CA-O 3.33Å; I69-H134 HydrophobicContact CG2-CB 4.12Å
70Q83.5Confident81.9Confident35 Ų3570 Ų7016%0.16441%0.408CS..EExtended strand (participates in β ladder)trans-82.8-30.5-17879.6-160.1-82.600112.9P68 C104 H110 L131 L132 V133P68-Q70 PolarHBondContact O-N 3.45Å; Q70-C104 PolarHBondContact OE1-SG 3.35Å; Q70-C104 VanDerWaalsContact OE1-SG 3.39Å; Q70-H110 PolarHBondContact NE2-CE1 3.44Å; Q70-H110 PolarHBondContact NE2-NE2 3.47Å; Q70-L131 HydrophobicContact CB-CD1 4.44Å; Q70-L131 HydrophobicContact CB-CD2 4.42Å; Q70-L132 PolarHBondContact N-O 2.91Å; Q70-L132 PolarHBondContact NE2-O 2.97Å; Q70-V133 HydrophobicContact CG-CG1 3.75Å
71S87.9Confident81.2Confident33 Ų3369.9 Ų69.923%0.23141%0.405CS..EExtended strand (participates in β ladder)trans-171.5154.2-179.149.40000110.5V133 H134S71-V133 WeakPolarHBondContact O-CA 3.49Å; S71-H134 PolarHBondContact O-N 2.87Å
72D90.8Very high80.4Confident120 Ų12070.2 Ų70.264%0.64241%0.413SS*.EExtended strand (participates in β ladder)trans-79.1136.2156.961.3-71.6000109.7H134D72-H134 CarbonylContact C-O 3.58Å; D72-H134 WeakPolarHBondContact CA-O 3.31Å; D72-H134 HydrophobicContact CB-CB 4.35Å
73V92Very high79.1Confident3 Ų375.5 Ų75.52%0.01843%0.428CS..EExtended strand (participates in β ladder)trans-135.5142.3179.5-61.90000107.7F78 F102 V133 H134 V135 S136V73-F78 HydrophobicContact CG2-CE2 3.61Å; V73-F78 HydrophobicContact CG2-CZ 4.17Å; V73-F102 HydrophobicContact CB-CE2 4.48Å; V73-F102 HydrophobicContact CB-CZ 4.4Å; V73-F102 HydrophobicContact CG1-CD1 4.28Å; V73-F102 HydrophobicContact CG1-CE1 3.67Å; V73-F102 HydrophobicContact CG1-CE2 4.12Å; V73-F102 HydrophobicContact CG1-CZ 3.58Å; V73-V133 HydrophobicContact CG1-CB 4.41Å; V73-V133 HydrophobicContact CG1-CG1 4.35Å; V73-V133 HydrophobicContact CG2-CB 3.71Å; V73-V133 HydrophobicContact CG2-CG1 4.4Å; V73-V133 HydrophobicContact CG2-CG2 3.75Å; V73-H134 PolarHBondContact N-O 3.45Å; V73-V135 HydrophobicContact CG2-CG2 4.3Å; V73-V135 CarbonylContact O-C 3.57Å; V73-V135 VanDerWaalsContact O-CA 3.32Å; V73-V135 WeakPolarHBondContact O-CA 3.37Å; V73-S136 PolarHBondContact O-N 2.9Å
74S91.7Very high77.7Confident50 Ų5073 Ų7335%0.3543%0.428SS..EExtended strand (participates in β ladder)trans-81.3145.2173.3-43.70000108.7D76 Q77 S136S74-D76 PolarHBondContact O-N 3.33Å; S74-Q77 VanDerWaalsContact N-NE2 3.13Å; S74-Q77 WeakPolarHBondContact O-CB 3.31Å; S74-Q77 PolarHBondContact O-N 3.19Å; S74-Q77 PolarHBondContact OG-NE2 3.28Å; S74-S136 CarbonylContact C-O 3.55Å; S74-S136 WeakPolarHBondContact CA-O 3.5Å
75F89.7Confident76.7Confident38 Ų3873.6 Ų73.617%0.16743%0.429CS..G310 helixtrans-54.7-35.1174.7174.3-109.6000112.2Q77 F78 Y100 V117 V135 S136 Y137F75-Q77 PolarHBondContact O-N 2.95Å; F75-Q77 VanDerWaalsContact O-N 3.13Å; F75-F78 HydrophobicContact CD2-CD2 4.44Å; F75-F78 WeakPolarHBondContact O-CB 3.49Å; F75-F78 PolarHBondContact O-N 3.23Å; F75-Y100 HydrophobicContact CE1-CE1 4.34Å; F75-Y100 AromaticContact CE2-CD1 3.62Å; F75-Y100 HydrophobicContact CE2-CD1 3.62Å; F75-Y100 HydrophobicContact CE2-CD2 4.05Å; F75-Y100 HydrophobicContact CE2-CE1 4.04Å; F75-Y100 HydrophobicContact CE2-CE2 4.42Å; F75-Y100 AromaticContact CE2-CG 3.61Å; F75-Y100 HydrophobicContact CE2-CG 3.61Å; F75-Y100 AromaticContact CZ-CD1 3.48Å; F75-Y100 HydrophobicContact CZ-CD1 3.48Å; F75-Y100 VanDerWaalsContact CZ-CD1 3.48Å; F75-Y100 HydrophobicContact CZ-CD2 4.15Å; F75-Y100 AromaticContact CZ-CE1 3.4Å; F75-Y100 HydrophobicContact CZ-CE1 3.4Å; F75-Y100 HydrophobicContact CZ-CE2 4.08Å; F75-Y100 AromaticContact CZ-CG 3.85Å; F75-Y100 HydrophobicContact CZ-CG 3.85Å; F75-Y100 AromaticContact CZ-CZ 3.7Å; F75-V117 HydrophobicContact CD1-CG1 4.5Å; F75-V117 HydrophobicContact CD2-CG1 4.19Å; F75-V117 HydrophobicContact CD2-CG2 4.07Å; F75-V117 HydrophobicContact CE1-CG1 3.88Å; F75-V117 HydrophobicContact CE2-CB 4.07Å; F75-V117 HydrophobicContact CE2-CG1 3.54Å; F75-V117 HydrophobicContact CE2-CG2 3.31Å; F75-V117 HydrophobicContact CZ-CB 4.25Å; F75-V117 HydrophobicContact CZ-CG1 3.34Å; F75-V117 HydrophobicContact CZ-CG2 3.87Å; F75-V135 HydrophobicContact CB-CG1 4.04Å; F75-S136 PolarHBondContact N-O 3.26Å; F75-Y137 HydrophobicContact CB-CD1 3.63Å; F75-Y137 HydrophobicContact CB-CE1 3.91Å; F75-Y137 HydrophobicContact CB-CG 4.29Å; F75-Y137 HydrophobicContact CD1-CD1 4.22Å; F75-Y137 HydrophobicContact CD2-CD1 4.14Å; F75-Y137 AromaticContact CD2-CE1 3.7Å; F75-Y137 HydrophobicContact CD2-CE1 3.7Å; F75-Y137 HydrophobicContact CE2-CE1 4.43Å; F75-Y137 AromaticContact CG-CD1 3.71Å; F75-Y137 HydrophobicContact CG-CD1 3.71Å; F75-Y137 AromaticContact CG-CE1 3.77Å; F75-Y137 HydrophobicContact CG-CE1 3.77Å
76D87.7Confident75.9Confident142 Ų14276.4 Ų76.476%0.75942%0.421SS*.G310 helixtrans-57-25174.5-171.3-109.7000114.1S74 F78S74-D76 PolarHBondContact O-N 3.33Å; D76-F78 VanDerWaalsContact C-N 3.3Å
77Q88.6Confident74.9Confident92 Ų9280.3 Ų80.343%0.4343%0.426SS..G310 helixtrans-80.5-11.5176.4-61.7178.158.600113S74 F75 F102S74-Q77 VanDerWaalsContact N-NE2 3.13Å; S74-Q77 WeakPolarHBondContact O-CB 3.31Å; S74-Q77 PolarHBondContact O-N 3.19Å; S74-Q77 PolarHBondContact OG-NE2 3.28Å; F75-Q77 PolarHBondContact O-N 2.95Å; F75-Q77 VanDerWaalsContact O-N 3.13Å; Q77-F102 HydrophobicContact CB-CD2 4.28Å; Q77-F102 HydrophobicContact CB-CE2 3.97Å; Q77-F102 WeakPolarHBondContact O-CD2 3.5Å
78F90.7Very high73.9Confident14 Ų1483.7 Ų83.76%0.06145%0.448CS..SBendtrans-72134.4175.4-78.4-112000109.6V73 F75 D76 D80 W101 F102 H110 L112 A124 V133 V135V73-F78 HydrophobicContact CG2-CE2 3.61Å; V73-F78 HydrophobicContact CG2-CZ 4.17Å; F75-F78 HydrophobicContact CD2-CD2 4.44Å; F75-F78 WeakPolarHBondContact O-CB 3.49Å; F75-F78 PolarHBondContact O-N 3.23Å; D76-F78 VanDerWaalsContact C-N 3.3Å; F78-D80 PolarHBondContact O-N 3.27Å; F78-W101 CarbonylContact C-O 3.57Å; F78-W101 WeakPolarHBondContact CA-O 3.25Å; F78-F102 HydrophobicContact CD1-CB 3.62Å; F78-F102 HydrophobicContact CD2-CB 4.2Å; F78-F102 HydrophobicContact CE1-CB 3.5Å; F78-F102 VanDerWaalsContact CE1-CB 3.5Å; F78-F102 HydrophobicContact CE2-CB 4.12Å; F78-F102 HydrophobicContact CG-CB 3.96Å; F78-F102 HydrophobicContact CZ-CB 3.77Å; F78-F102 HydrophobicContact CZ-CG 4.48Å; F78-H110 HydrophobicContact CE1-CB 4.28Å; F78-L112 HydrophobicContact CD1-CD1 3.98Å; F78-L112 HydrophobicContact CD1-CG 4.44Å; F78-L112 HydrophobicContact CE1-CD1 3.46Å; F78-L112 VanDerWaalsContact CE1-CD1 3.46Å; F78-L112 HydrophobicContact CE1-CG 3.83Å; F78-L112 HydrophobicContact CE2-CD1 4.21Å; F78-L112 HydrophobicContact CZ-CD1 3.6Å; F78-L112 HydrophobicContact CZ-CG 4.3Å; F78-A124 HydrophobicContact CE1-CB 4.46Å; F78-A124 HydrophobicContact CZ-CB 4.2Å; F78-V133 HydrophobicContact CZ-CG2 4.04Å; F78-V135 HydrophobicContact CE2-CB 4.49Å; F78-V135 HydrophobicContact CE2-CG1 3.84Å; F78-V135 HydrophobicContact CE2-CG2 3.89Å; F78-V135 HydrophobicContact CZ-CG1 4.39Å; F78-V135 HydrophobicContact CZ-CG2 3.73Å
79H87.4Confident72.6Confident105 Ų10586.9 Ų86.949%0.48646%0.462SS..EExtended strand (participates in β ladder)trans-76.6123.1171.3-72.2-161.7000108.7Y100 W101H79-Y100 WeakPolarHBondContact O-CA 3.33Å; H79-W101 HydrophobicContact CB-CD2 3.99Å; H79-W101 VanDerWaalsContact CB-CE2 3.49Å; H79-W101 HydrophobicContact CB-CG 4.43Å; H79-W101 HydrophobicContact CB-CH2 4.26Å; H79-W101 HydrophobicContact CB-CZ2 3.66Å; H79-W101 AromaticContact CG-CZ2 3.88Å; H79-W101 PolarHBondContact N-O 2.96Å; H79-W101 AromaticContact ND1-CH2 3.43Å; H79-W101 WeakPolarHBondContact ND1-CH2 3.13Å; H79-W101 AromaticContact ND1-CZ2 3.38Å; H79-W101 WeakPolarHBondContact ND1-CZ2 3.36Å; H79-W101 VanDerWaalsContact O-CD1 3.3Å; H79-W101 PolarHBondContact O-N 3.06Å
80D84.3Confident71.3Confident71 Ų7191.7 Ų91.738%0.3849%0.488SS..EExtended strand (participates in β ladder)trans-84.2120.4168.9173.5-122.6000108.5F78 G82 H98 Y100F78-D80 PolarHBondContact O-N 3.27Å; D80-G82 PolarHBondContact O-N 3.48Å; D80-G82 VanDerWaalsContact OD1-CA 3.23Å; D80-G82 WeakPolarHBondContact OD1-CA 3.25Å; D80-G82 PolarHBondContact OD1-N 3.37Å; D80-G82 VanDerWaalsContact OD1-N 3.14Å; D80-G82 PolarHBondContact OD2-N 3.25Å; D80-H98 IonicContact OD2-ND1 3.41Å; D80-H98 PolarHBondContact OD2-ND1 2.7Å; D80-Y100 HydrophobicContact CB-CD1 3.97Å; D80-Y100 HydrophobicContact CB-CE1 3.91Å
81E66.1Low70Confident126 Ų12697.4 Ų97.459%0.58951%0.514SS*.  trans-9035164.3-65.8-82.6130.700109.7K83 C99 W101E81-K83 PolarHBondContact O-N 3.15Å; E81-C99 PolarHBondContact N-O 2.94Å; E81-W101 VanDerWaalsContact CG-CD1 3.44Å; E81-W101 PolarHBondContact OE1-NE1 2.79Å
82G57.8Low68.3Low26 Ų26100.7 Ų100.727%0.26854%0.537SS..  trans-61.788.9154.600000105.6D80 S84D80-G82 PolarHBondContact O-N 3.48Å; D80-G82 VanDerWaalsContact OD1-CA 3.23Å; D80-G82 WeakPolarHBondContact OD1-CA 3.25Å; D80-G82 PolarHBondContact OD1-N 3.37Å; D80-G82 VanDerWaalsContact OD1-N 3.14Å; D80-G82 PolarHBondContact OD2-N 3.25Å; G82-S84 PolarHBondContact O-N 3.02Å
83K47.3Very low66.5Low171 Ų171104.7 Ų104.774%0.74355%0.551SS**  trans-49.9116.9169.5-76.9-165-179-176.50105.5E81 V85E81-K83 PolarHBondContact O-N 3.15Å; K83-V85 HydrophobicContact CB-CB 4.48Å; K83-V85 HydrophobicContact CB-CG2 3.24Å; K83-V85 HydrophobicContact CD-CG2 3.78Å; K83-V85 HydrophobicContact CG-CG2 4.18Å; K83-V85 PolarHBondContact O-N 3.11Å
84S41.7Very low64.6Low98 Ų98111 Ų11169%0.68559%0.585SS**  trans-65.578.2158.7-174.50000105.7G82 H86G82-S84 PolarHBondContact O-N 3.02Å; S84-H86 PolarHBondContact O-N 2.88Å; S84-H86 PolarHBondContact OG-ND1 3.38Å
85V49.2Very low63.1Low66 Ų66117 Ų11740%0.461%0.608SS.*  trans-81.381176.8-159.30000106.3K83 D87 V88K83-V85 HydrophobicContact CB-CB 4.48Å; K83-V85 HydrophobicContact CB-CG2 3.24Å; K83-V85 HydrophobicContact CD-CG2 3.78Å; K83-V85 HydrophobicContact CG-CG2 4.18Å; K83-V85 PolarHBondContact O-N 3.11Å; V85-D87 VanDerWaalsContact CG1-C 3.48Å; V85-D87 PolarHBondContact O-N 3.49Å; V85-D87 VanDerWaalsContact O-N 3.15Å; V85-V88 HydrophobicContact CB-CG2 3.83Å; V85-V88 HydrophobicContact CG1-CB 3.64Å; V85-V88 HydrophobicContact CG1-CG1 3.4Å; V85-V88 HydrophobicContact CG1-CG2 3.31Å; V85-V88 HydrophobicContact CG2-CG2 4.3Å
86H47.3Very low61.7Low177 Ų177123 Ų12382%0.81964%0.636SS**SBendtrans-67.16.2162.3-87.789.6000112.4S84S84-H86 PolarHBondContact O-N 2.88Å; S84-H86 PolarHBondContact OG-ND1 3.38Å
87D48.4Very low60.2Low149 Ų149120 Ų12080%0.79763%0.625SS**SBendtrans-157.466.6-179-158.3-111000113.7V85V85-D87 VanDerWaalsContact CG1-C 3.48Å; V85-D87 PolarHBondContact O-N 3.49Å; V85-D87 VanDerWaalsContact O-N 3.15Å
88V52.9Low59.5Low107 Ų107119 Ų11965%0.64862%0.62SS**  trans-133.4123.3158-76.60000109.7V85V85-V88 HydrophobicContact CB-CG2 3.83Å; V85-V88 HydrophobicContact CG1-CB 3.64Å; V85-V88 HydrophobicContact CG1-CG1 3.4Å; V85-V88 HydrophobicContact CG1-CG2 3.31Å; V85-V88 HydrophobicContact CG2-CG2 4.3Å
89D53.9Low59.1Low130 Ų130120 Ų12070%0.69563%0.629SS**  trans-33.3132.6166.6-174.8-108.8000113.1Q91D89-Q91 PolarHBondContact O-N 3.07Å
90L57.7Low59.3Low173 Ų173117.5 Ų117.591%0.90662%0.616SS**THydrogen-bonded Turntrans-63.316.3-169.5-158.677.1000115.1
91Q56Low59.7Low155 Ų155117.2 Ų117.272%0.72461%0.61SS**THydrogen-bonded Turntrans-114.33-170.4-110.5113.7-72.300116.7D89 H93D89-Q91 PolarHBondContact O-N 3.07Å; Q91-H93 PolarHBondContact O-N 2.92Å
92S52.2Low60.9Low101 Ų101112.7 Ų112.771%0.70659%0.588SS**  trans-87.395.5168.4-73.90000110.5N94S92-N94 PolarHBondContact O-N 3.47Å
93H53.1Low62.6Low204 Ų204114.6 Ų114.694%0.94460%0.595SS**  trans-66.437164.8-151.6-133.1000111.4Q91 Q95Q91-H93 PolarHBondContact O-N 2.92Å; H93-Q95 PolarHBondContact O-N 3.43Å
94N53.1Low64.8Low135 Ų135106.9 Ų106.972%0.72256%0.563SS**  trans-98.994.2-174.9-146.760.6000106S92 E96S92-N94 PolarHBondContact O-N 3.47Å; N94-E96 PolarHBondContact O-N 2.94Å
95Q60.2Low66.9Low178 Ų178111.9 Ų111.983%0.83257%0.567SS**  trans-37.2108.5177.2-174.1139.366.700110.2H93 C97H93-Q95 PolarHBondContact O-N 3.43Å; Q95-C97 VanDerWaalsContact C-N 3.32Å; Q95-C97 PolarHBondContact O-N 3.41Å
96E59.5Low69Low162 Ų162111.4 Ų111.476%0.75757%0.566SS**  trans-56.196.5-179.2-69.8170.193.800108.5N94 H98N94-E96 PolarHBondContact O-N 2.94Å; E96-H98 VanDerWaalsContact C-N 3.31Å; E96-H98 PolarHBondContact O-N 3.4Å
97C57.6Low71Confident79 Ų79106.4 Ų106.453%0.53456%0.562SS.*  trans-77.991.5173.3-161.50000105.9Q95 C99Q95-C97 VanDerWaalsContact C-N 3.32Å; Q95-C97 PolarHBondContact O-N 3.41Å; C97-C99 PolarHBondContact O-N 2.82Å
98H73.6Confident73.2Confident71 Ų7199.8 Ų99.833%0.32953%0.529SS..  trans-64.5106.3169.5-82.1-85.3000108D80 E96 Y100 D114D80-H98 IonicContact OD2-ND1 3.41Å; D80-H98 PolarHBondContact OD2-ND1 2.7Å; E96-H98 VanDerWaalsContact C-N 3.31Å; E96-H98 PolarHBondContact O-N 3.4Å; H98-Y100 HydrophobicContact CB-CE2 4.17Å; H98-D114 PolarHBondContact O-N 2.92Å
99C82.7Confident75.1Confident37 Ų3796.5 Ų96.525%0.2551%0.511CS..EExtended strand (participates in β ladder)trans-109.3125.7176.7-65.20000108.3E81 C97 V111E81-C99 PolarHBondContact N-O 2.94Å; C97-C99 PolarHBondContact O-N 2.82Å; C99-V111 HydrophobicContact CB-CG1 4.39Å
100Y90.8Very high76.9Confident52 Ų5290.3 Ų90.320%0.20448%0.477CS..EExtended strand (participates in β ladder)trans-99.7131.9176-59.6-91000107.8F75 H79 D80 H98 V111 L112 V117F75-Y100 HydrophobicContact CE1-CE1 4.34Å; F75-Y100 AromaticContact CE2-CD1 3.62Å; F75-Y100 HydrophobicContact CE2-CD1 3.62Å; F75-Y100 HydrophobicContact CE2-CD2 4.05Å; F75-Y100 HydrophobicContact CE2-CE1 4.04Å; F75-Y100 HydrophobicContact CE2-CE2 4.42Å; F75-Y100 AromaticContact CE2-CG 3.61Å; F75-Y100 HydrophobicContact CE2-CG 3.61Å; F75-Y100 AromaticContact CZ-CD1 3.48Å; F75-Y100 HydrophobicContact CZ-CD1 3.48Å; F75-Y100 VanDerWaalsContact CZ-CD1 3.48Å; F75-Y100 HydrophobicContact CZ-CD2 4.15Å; F75-Y100 AromaticContact CZ-CE1 3.4Å; F75-Y100 HydrophobicContact CZ-CE1 3.4Å; F75-Y100 HydrophobicContact CZ-CE2 4.08Å; F75-Y100 AromaticContact CZ-CG 3.85Å; F75-Y100 HydrophobicContact CZ-CG 3.85Å; F75-Y100 AromaticContact CZ-CZ 3.7Å; H79-Y100 WeakPolarHBondContact O-CA 3.33Å; D80-Y100 HydrophobicContact CB-CD1 3.97Å; D80-Y100 HydrophobicContact CB-CE1 3.91Å; H98-Y100 HydrophobicContact CB-CE2 4.17Å; Y100-V111 CarbonylContact O-C 3.41Å; Y100-V111 WeakPolarHBondContact O-CA 3.08Å; Y100-L112 PolarHBondContact N-O 3.13Å; Y100-L112 PolarHBondContact O-N 2.89Å; Y100-V117 HydrophobicContact CD2-CB 4.47Å; Y100-V117 HydrophobicContact CD2-CG2 3.48Å; Y100-V117 VanDerWaalsContact CD2-CG2 3.48Å; Y100-V117 HydrophobicContact CE2-CB 4.4Å; Y100-V117 HydrophobicContact CE2-CG2 3.87Å; Y100-V117 HydrophobicContact CG-CG2 4.12Å
101W92Very high78.5Confident65 Ų6584.6 Ų84.625%0.24645%0.45CS..EExtended strand (participates in β ladder)trans-129.6151.3178.769.6-88.7000113F78 H79 E81 P103 H110 V111F78-W101 CarbonylContact C-O 3.57Å; F78-W101 WeakPolarHBondContact CA-O 3.25Å; H79-W101 HydrophobicContact CB-CD2 3.99Å; H79-W101 VanDerWaalsContact CB-CE2 3.49Å; H79-W101 HydrophobicContact CB-CG 4.43Å; H79-W101 HydrophobicContact CB-CH2 4.26Å; H79-W101 HydrophobicContact CB-CZ2 3.66Å; H79-W101 AromaticContact CG-CZ2 3.88Å; H79-W101 PolarHBondContact N-O 2.96Å; H79-W101 AromaticContact ND1-CH2 3.43Å; H79-W101 WeakPolarHBondContact ND1-CH2 3.13Å; H79-W101 AromaticContact ND1-CZ2 3.38Å; H79-W101 WeakPolarHBondContact ND1-CZ2 3.36Å; H79-W101 VanDerWaalsContact O-CD1 3.3Å; H79-W101 PolarHBondContact O-N 3.06Å; E81-W101 VanDerWaalsContact CG-CD1 3.44Å; E81-W101 PolarHBondContact OE1-NE1 2.79Å; W101-P103 HydrophobicContact CZ3-CB 4.29Å; W101-P103 HydrophobicContact CZ3-CG 4.43Å; W101-H110 CarbonylContact C-O 3.55Å; W101-H110 WeakPolarHBondContact CA-O 3.47Å; W101-H110 WeakPolarHBondContact CB-O 3.49Å; W101-V111 HydrophobicContact CB-CG2 4.26Å
102F92.8Very high80.1Confident30 Ų3077.4 Ų77.413%0.13242%0.416CS..EExtended strand (participates in β ladder)trans-136131.7178.2-176.2-92.1000110.2V73 Q77 F78 C104 S109 H110 V133V73-F102 HydrophobicContact CB-CE2 4.48Å; V73-F102 HydrophobicContact CB-CZ 4.4Å; V73-F102 HydrophobicContact CG1-CD1 4.28Å; V73-F102 HydrophobicContact CG1-CE1 3.67Å; V73-F102 HydrophobicContact CG1-CE2 4.12Å; V73-F102 HydrophobicContact CG1-CZ 3.58Å; Q77-F102 HydrophobicContact CB-CD2 4.28Å; Q77-F102 HydrophobicContact CB-CE2 3.97Å; Q77-F102 WeakPolarHBondContact O-CD2 3.5Å; F78-F102 HydrophobicContact CD1-CB 3.62Å; F78-F102 HydrophobicContact CD2-CB 4.2Å; F78-F102 HydrophobicContact CE1-CB 3.5Å; F78-F102 VanDerWaalsContact CE1-CB 3.5Å; F78-F102 HydrophobicContact CE2-CB 4.12Å; F78-F102 HydrophobicContact CG-CB 3.96Å; F78-F102 HydrophobicContact CZ-CB 3.77Å; F78-F102 HydrophobicContact CZ-CG 4.48Å; F102-C104 PolarHBondContact O-N 3.38Å; F102-S109 CarbonylContact O-C 3.53Å; F102-S109 WeakPolarHBondContact O-CA 3.23Å; F102-H110 HydrophobicContact CB-CB 4.26Å; F102-H110 PolarHBondContact N-O 2.91Å; F102-H110 PolarHBondContact O-N 3.42Å; F102-V133 HydrophobicContact CD1-CG1 4.31Å; F102-V133 HydrophobicContact CE1-CG1 4.49Å
103P92Very high81.7Confident66 Ų6676.3 Ų76.343%0.42940%0.402SS..EExtended strand (participates in β ladder)trans-65.5133.7-177.126.5-33.7000111.8W101W101-P103 HydrophobicContact CZ3-CB 4.29Å; W101-P103 HydrophobicContact CZ3-CG 4.43Å
104C93Very high83.2Confident9 Ų969.2 Ų69.26%0.06137%0.371CS..  trans-92.7149.6175.9-173.50000111.1Q70 F102 C106 G107 G108 H110 C126 C129Q70-C104 PolarHBondContact OE1-SG 3.35Å; Q70-C104 VanDerWaalsContact OE1-SG 3.39Å; F102-C104 PolarHBondContact O-N 3.38Å; C104-C106 PolarHBondContact O-N 2.89Å; C104-C106 VanDerWaalsContact O-N 3.09Å; C104-G107 PolarHBondContact O-N 2.93Å; C104-G108 VanDerWaalsContact CB-O 3.28Å; C104-G108 WeakPolarHBondContact CB-O 3.1Å; C104-G108 PolarHBondContact N-O 2.76Å; C104-H110 VanDerWaalsContact CB-NE2 3.34Å; C104-H110 WeakPolarHBondContact CB-NE2 3.28Å; C104-H110 PolarHBondContact SG-NE2 2.84Å; C104-C126 HydrophobicContact CB-CB 4.38Å; C104-C126 VanDerWaalsContact CB-SG 3.57Å; C104-C129 VanDerWaalsContact SG-SG 3.7Å
105R87.7Confident84.8Confident203 Ų20363.3 Ų63.377%0.76634%0.34SS*.THydrogen-bonded Turntrans-58.6-21.8175.7-68.2179.9179-94.40.5114.5G107R105-G107 VanDerWaalsContact C-N 3.28Å
106C91.6Very high86.1Confident57 Ų5755.1 Ų55.139%0.38530%0.303SS..THydrogen-bonded Turntrans-81.3-3.5176.8740000114.1C104 G108 C129C104-C106 PolarHBondContact O-N 2.89Å; C104-C106 VanDerWaalsContact O-N 3.09Å; C106-G108 PolarHBondContact SG-N 3.47Å; C106-C129 HydrophobicContact CB-CB 4.3Å; C106-C129 PolarHBondContact SG-SG 3.44Å
107G91.1Very high87.4Confident71 Ų7148.5 Ų48.573%0.73227%0.273SS*.SBendtrans89.4-1.5-171.200000114.6C104 R105C104-G107 PolarHBondContact O-N 2.93Å; R105-G107 VanDerWaalsContact C-N 3.28Å
108G92.8Very high88.7Confident10 Ų1046.5 Ų46.510%0.10326%0.257CS..  trans-84.3-169.2169.500000113.1C104 C106C104-G108 VanDerWaalsContact CB-O 3.28Å; C104-G108 WeakPolarHBondContact CB-O 3.1Å; C104-G108 PolarHBondContact N-O 2.76Å; C106-G108 PolarHBondContact SG-N 3.47Å
109S92.9Very high89.2Confident38 Ų3844.6 Ų44.627%0.26625%0.251SS..EExtended strand (participates in β ladder)trans-132.1142.3176.6-53.20000111.1F102 T127F102-S109 CarbonylContact O-C 3.53Å; F102-S109 WeakPolarHBondContact O-CA 3.23Å; S109-T127 WeakPolarHBondContact O-CG2 3.27Å; S109-T127 PolarHBondContact O-N 3.17Å; S109-T127 PolarHBondContact O-OG1 2.78Å
110H92.3Very high89.3Confident0 Ų045.7 Ų45.70%025%0.253CS..EExtended strand (participates in β ladder)trans-82.7128.3164.2-63.8-87.9000107.2Q70 F78 W101 F102 C104 A124 K125 C126 L131 V133Q70-H110 PolarHBondContact NE2-CE1 3.44Å; Q70-H110 PolarHBondContact NE2-NE2 3.47Å; F78-H110 HydrophobicContact CE1-CB 4.28Å; W101-H110 CarbonylContact C-O 3.55Å; W101-H110 WeakPolarHBondContact CA-O 3.47Å; W101-H110 WeakPolarHBondContact CB-O 3.49Å; F102-H110 HydrophobicContact CB-CB 4.26Å; F102-H110 PolarHBondContact N-O 2.91Å; F102-H110 PolarHBondContact O-N 3.42Å; C104-H110 VanDerWaalsContact CB-NE2 3.34Å; C104-H110 WeakPolarHBondContact CB-NE2 3.28Å; C104-H110 PolarHBondContact SG-NE2 2.84Å; H110-A124 HydrophobicContact CB-CB 4.08Å; H110-A124 PolarHBondContact ND1-O 3.21Å; H110-K125 VanDerWaalsContact ND1-C 3.27Å; H110-K125 PolarHBondContact ND1-O 2.91Å; H110-C126 VanDerWaalsContact CE1-CB 3.5Å; H110-C126 WeakPolarHBondContact CE1-CB 3.26Å; H110-C126 PolarHBondContact CE1-N 3.28Å; H110-C126 PolarHBondContact ND1-N 2.88Å; H110-L131 PolarHBondContact CE1-O 2.82Å; H110-V133 HydrophobicContact CB-CG2 4.18Å
111V90.6Very high89.1Confident53 Ų5343.8 Ų43.832%0.32125%0.246SC..EExtended strand (participates in β ladder)trans-120.5134-180-1760000108.1C99 Y100 W101 T127C99-V111 HydrophobicContact CB-CG1 4.39Å; Y100-V111 CarbonylContact O-C 3.41Å; Y100-V111 WeakPolarHBondContact O-CA 3.08Å; W101-V111 HydrophobicContact CB-CG2 4.26Å; V111-T127 HydrophobicContact CB-CG2 4.29Å; V111-T127 HydrophobicContact CG2-CG2 3.71Å
112L89.8Confident88.9Confident5 Ų542.4 Ų42.43%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-125.9122175.4-69175.3000108.5F78 Y100 A116 V117 V121 A124 V135F78-L112 HydrophobicContact CD1-CD1 3.98Å; F78-L112 HydrophobicContact CD1-CG 4.44Å; F78-L112 HydrophobicContact CE1-CD1 3.46Å; F78-L112 VanDerWaalsContact CE1-CD1 3.46Å; F78-L112 HydrophobicContact CE1-CG 3.83Å; F78-L112 HydrophobicContact CE2-CD1 4.21Å; F78-L112 HydrophobicContact CZ-CD1 3.6Å; F78-L112 HydrophobicContact CZ-CG 4.3Å; Y100-L112 PolarHBondContact N-O 3.13Å; Y100-L112 PolarHBondContact O-N 2.89Å; L112-A116 HydrophobicContact CB-CB 4.32Å; L112-A116 HydrophobicContact CD2-CB 3.86Å; L112-V117 HydrophobicContact CB-CG2 4.01Å; L112-V117 HydrophobicContact CD1-CG2 4.42Å; L112-V121 HydrophobicContact CD2-CG2 3.58Å; L112-A124 HydrophobicContact CD1-CB 4.17Å; L112-A124 HydrophobicContact CD2-CB 3.55Å; L112-A124 HydrophobicContact CG-CB 3.8Å; L112-V135 HydrophobicContact CD1-CG1 4.23Å; L112-V135 HydrophobicContact CD1-CG2 4.1Å
113D87.2Confident88.7Confident77 Ų7743.7 Ų43.741%0.41225%0.25SS..EExtended strand (participates in β ladder)trans-75.7165.1171.9-54.6-91.8000111.4L115 A116 V117D113-L115 PolarHBondContact O-N 3.37Å; D113-L115 VanDerWaalsContact O-N 3.1Å; D113-A116 WeakPolarHBondContact O-CB 3.42Å; D113-A116 PolarHBondContact O-N 3.39Å; D113-V117 PolarHBondContact O-N 3.46Å; D113-V117 VanDerWaalsContact O-N 3.11Å
114D84.5Confident88.7Confident55 Ų5540.6 Ų40.629%0.29423%0.231SC..Hα-helixtrans-47-43.1175.584.4-68.9000111.8K47 H98 V117 L118K47-D114 IonicContact NZ-OD2 2.82Å; K47-D114 PolarHBondContact NZ-OD2 3.39Å; H98-D114 PolarHBondContact O-N 2.92Å; D114-V117 PolarHBondContact O-N 3.14Å; D114-L118 WeakPolarHBondContact O-CB 3.31Å; D114-L118 PolarHBondContact O-N 2.86Å
115L85.5Confident88.4Confident12 Ų1246 Ų466%0.06325%0.253CS..Hα-helixtrans-66.7-39.5-179.6-179.263.2000112V41 K47 A50 D113 V117 L118 C119V41-L115 HydrophobicContact CB-CD1 4.24Å; V41-L115 HydrophobicContact CG1-CD1 3.94Å; V41-L115 HydrophobicContact CG2-CD1 3.71Å; K47-L115 HydrophobicContact CB-CD1 4.29Å; K47-L115 WeakPolarHBondContact O-CD2 3.17Å; A50-L115 HydrophobicContact CB-CD2 3.31Å; D113-L115 PolarHBondContact O-N 3.37Å; D113-L115 VanDerWaalsContact O-N 3.1Å; L115-V117 VanDerWaalsContact C-N 3.32Å; L115-V117 PolarHBondContact O-N 2.99Å; L115-L118 HydrophobicContact CD1-CD2 4.35Å; L115-L118 PolarHBondContact O-N 2.98Å; L115-C119 VanDerWaalsContact O-CB 3.25Å; L115-C119 WeakPolarHBondContact O-CB 3.44Å; L115-C119 PolarHBondContact O-N 2.97Å; L115-C119 PolarHBondContact O-SG 3.24Å
116A88.1Confident88.7Confident6 Ų636.7 Ų36.75%0.0522%0.219CC..Hα-helixtrans-65.9-40.5-179.600000111.2L54 L112 D113 C119 Q120 V121L54-A116 HydrophobicContact CD2-CB 4.17Å; L112-A116 HydrophobicContact CB-CB 4.32Å; L112-A116 HydrophobicContact CD2-CB 3.86Å; D113-A116 WeakPolarHBondContact O-CB 3.42Å; D113-A116 PolarHBondContact O-N 3.39Å; A116-C119 CarbonylContact O-C 3.6Å; A116-C119 PolarHBondContact O-N 3Å; A116-Q120 PolarHBondContact O-N 3Å; A116-Q120 VanDerWaalsContact O-N 3.15Å; A116-V121 HydrophobicContact CB-CG2 3.82Å; A116-V121 PolarHBondContact O-N 2.89Å
117V87Confident88.6Confident23 Ų2338.7 Ų38.714%0.13923%0.229CC..Hα-helixtrans-66.9-46.9173.7175.40000111.3F75 Y100 L112 D113 D114 L115 C119 Q120 Y137F75-V117 HydrophobicContact CD1-CG1 4.5Å; F75-V117 HydrophobicContact CD2-CG1 4.19Å; F75-V117 HydrophobicContact CD2-CG2 4.07Å; F75-V117 HydrophobicContact CE1-CG1 3.88Å; F75-V117 HydrophobicContact CE2-CB 4.07Å; F75-V117 HydrophobicContact CE2-CG1 3.54Å; F75-V117 HydrophobicContact CE2-CG2 3.31Å; F75-V117 HydrophobicContact CZ-CB 4.25Å; F75-V117 HydrophobicContact CZ-CG1 3.34Å; F75-V117 HydrophobicContact CZ-CG2 3.87Å; Y100-V117 HydrophobicContact CD2-CB 4.47Å; Y100-V117 HydrophobicContact CD2-CG2 3.48Å; Y100-V117 VanDerWaalsContact CD2-CG2 3.48Å; Y100-V117 HydrophobicContact CE2-CB 4.4Å; Y100-V117 HydrophobicContact CE2-CG2 3.87Å; Y100-V117 HydrophobicContact CG-CG2 4.12Å; L112-V117 HydrophobicContact CB-CG2 4.01Å; L112-V117 HydrophobicContact CD1-CG2 4.42Å; D113-V117 PolarHBondContact O-N 3.46Å; D113-V117 VanDerWaalsContact O-N 3.11Å; D114-V117 PolarHBondContact O-N 3.14Å; L115-V117 VanDerWaalsContact C-N 3.32Å; L115-V117 PolarHBondContact O-N 2.99Å; V117-C119 PolarHBondContact O-N 2.95Å; V117-Q120 WeakPolarHBondContact O-CA 3.13Å; V117-Q120 PolarHBondContact O-N 3.24Å; V117-Y137 HydrophobicContact CB-CE1 4.29Å; V117-Y137 HydrophobicContact CG1-CD1 4.46Å; V117-Y137 HydrophobicContact CG1-CE1 3.98Å; V117-Y137 HydrophobicContact CG2-CE1 4.48Å
118L84Confident88.5Confident37 Ų3740.8 Ų40.819%0.19422%0.224CC..Hα-helixtrans-56.9-39.1177-176.671000110.7R37 S40 V41 D114 L115 Q120R37-L118 HydrophobicContact CB-CD1 4.25Å; R37-L118 WeakPolarHBondContact CD-O 3.45Å; R37-L118 HydrophobicContact CG-CD1 3.74Å; R37-L118 HydrophobicContact CG-CG 3.9Å; R37-L118 WeakPolarHBondContact CG-O 3.46Å; R37-L118 PolarHBondContact NE-O 3.25Å; S40-L118 WeakPolarHBondContact OG-CD2 3.36Å; V41-L118 HydrophobicContact CG2-CD2 3.48Å; V41-L118 VanDerWaalsContact CG2-CD2 3.48Å; V41-L118 HydrophobicContact CG2-CG 4.07Å; D114-L118 WeakPolarHBondContact O-CB 3.31Å; D114-L118 PolarHBondContact O-N 2.86Å; L115-L118 HydrophobicContact CD1-CD2 4.35Å; L115-L118 PolarHBondContact O-N 2.98Å; L118-Q120 VanDerWaalsContact C-N 3.25Å; L118-Q120 PolarHBondContact O-N 3.06Å
119C84.3Confident88.4Confident30 Ų3042.1 Ų42.120%0.20323%0.231CC..THydrogen-bonded Turntrans-83.21177.2-64.60000114.1V41 Y51 L54 L115 A116 V117 V121V41-C119 VanDerWaalsContact CG2-SG 3.55Å; Y51-C119 HydrophobicContact CD2-CB 3.97Å; Y51-C119 WeakPolarHBondContact CD2-SG 3.02Å; Y51-C119 HydrophobicContact CE2-CB 3.79Å; Y51-C119 WeakPolarHBondContact CE2-SG 3.3Å; L54-C119 HydrophobicContact CD2-CB 4.26Å; L115-C119 VanDerWaalsContact O-CB 3.25Å; L115-C119 WeakPolarHBondContact O-CB 3.44Å; L115-C119 PolarHBondContact O-N 2.97Å; L115-C119 PolarHBondContact O-SG 3.24Å; A116-C119 CarbonylContact O-C 3.6Å; A116-C119 PolarHBondContact O-N 3Å; V117-C119 PolarHBondContact O-N 2.95Å; C119-V121 VanDerWaalsContact C-N 3.31Å; C119-V121 HydrophobicContact CB-CG1 4.43Å; C119-V121 PolarHBondContact O-N 3.47Å
120Q86Confident88.1Confident60 Ų6045.3 Ų45.328%0.2825%0.254SS..THydrogen-bonded Turntrans46.852.3-176.7-69.2-174-33.900112.4R37 A116 V117 L118 P122 Y137R37-Q120 VanDerWaalsContact CZ-CD 3.49Å; R37-Q120 VanDerWaalsContact NH1-CG 3.32Å; A116-Q120 PolarHBondContact O-N 3Å; A116-Q120 VanDerWaalsContact O-N 3.15Å; V117-Q120 WeakPolarHBondContact O-CA 3.13Å; V117-Q120 PolarHBondContact O-N 3.24Å; L118-Q120 VanDerWaalsContact C-N 3.25Å; L118-Q120 PolarHBondContact O-N 3.06Å; Q120-P122 WeakPolarHBondContact O-CD 3.48Å; Q120-P122 VanDerWaalsContact O-N 3.16Å; Q120-Y137 HydrophobicContact CB-CD2 3.51Å; Q120-Y137 HydrophobicContact CB-CE2 3.78Å; Q120-Y137 HydrophobicContact CB-CG 3.92Å; Q120-Y137 HydrophobicContact CG-CD1 3.99Å; Q120-Y137 HydrophobicContact CG-CD2 3.73Å; Q120-Y137 HydrophobicContact CG-CE2 4.3Å; Q120-Y137 HydrophobicContact CG-CG 3.57Å
121V87Confident87.9Confident12 Ų1247.6 Ų47.67%0.07327%0.266CS..  trans-62124.5179.8-670000110.3L54 L112 A116 C119 Y123 Y137L54-V121 HydrophobicContact CD1-CG1 3.89Å; L54-V121 HydrophobicContact CD2-CG1 3.28Å; L54-V121 HydrophobicContact CG-CG1 3.56Å; L112-V121 HydrophobicContact CD2-CG2 3.58Å; A116-V121 HydrophobicContact CB-CG2 3.82Å; A116-V121 PolarHBondContact O-N 2.89Å; C119-V121 VanDerWaalsContact C-N 3.31Å; C119-V121 HydrophobicContact CB-CG1 4.43Å; C119-V121 PolarHBondContact O-N 3.47Å; V121-Y123 PolarHBondContact O-N 2.87Å; V121-Y123 VanDerWaalsContact O-N 3.15Å; V121-Y137 PolarHBondContact N-OH 2.98Å; V121-Y137 VanDerWaalsContact O-CE2 3.22Å; V121-Y137 WeakPolarHBondContact O-CE2 3.45Å; V121-Y137 PolarHBondContact O-OH 2.92Å; V121-Y137 VanDerWaalsContact O-OH 3.04Å
122P86.9Confident87.9Confident36 Ų3645.7 Ų45.723%0.23425%0.253CS..SBendtrans-73.5-8.1-175.529.1-36000112.3H58 Q120 H134 V135H58-P122 WeakPolarHBondContact CE1-CG 3.33Å; Q120-P122 WeakPolarHBondContact O-CD 3.48Å; Q120-P122 VanDerWaalsContact O-N 3.16Å; P122-H134 CarbonylContact O-C 3.44Å; P122-H134 WeakPolarHBondContact O-CA 3.5Å; P122-H134 PolarHBondContact O-CD2 3.38Å; P122-V135 PolarHBondContact O-N 3.49Å
123Y89.1Confident88Confident57 Ų5745.5 Ų45.522%0.22425%0.252CS..EExtended strand (participates in β ladder)trans-135.5130.1-178.8-52.2-70.2000111.5H58 I61 I69 V121 V133 H134H58-Y123 AromaticContact CE1-CD2 3.75Å; H58-Y123 AromaticContact CE1-CE2 3.64Å; H58-Y123 AromaticContact ND1-CD2 3.76Å; I61-Y123 HydrophobicContact CG2-CD2 3.41Å; I61-Y123 VanDerWaalsContact CG2-CD2 3.41Å; I61-Y123 HydrophobicContact CG2-CE2 3.89Å; I61-Y123 HydrophobicContact CG2-CG 3.86Å; I69-Y123 HydrophobicContact CD1-CD1 4.3Å; I69-Y123 HydrophobicContact CD1-CE1 3.7Å; I69-Y123 HydrophobicContact CG1-CE1 4.44Å; V121-Y123 PolarHBondContact O-N 2.87Å; V121-Y123 VanDerWaalsContact O-N 3.15Å; Y123-V133 VanDerWaalsContact CA-O 3.3Å; Y123-V133 WeakPolarHBondContact CA-O 3.36Å; Y123-H134 HydrophobicContact CD1-CB 4.35Å; Y123-H134 HydrophobicContact CE1-CB 4.34Å; Y123-H134 AromaticContact CE1-CD2 3.58Å
124A91.1Very high88.2Confident2 Ų244.7 Ų44.72%0.01725%0.246CC..EExtended strand (participates in β ladder)trans-110.2126.5170.600000110.3F78 H110 L112 L132 V133 V135F78-A124 HydrophobicContact CE1-CB 4.46Å; F78-A124 HydrophobicContact CZ-CB 4.2Å; H110-A124 HydrophobicContact CB-CB 4.08Å; H110-A124 PolarHBondContact ND1-O 3.21Å; L112-A124 HydrophobicContact CD1-CB 4.17Å; L112-A124 HydrophobicContact CD2-CB 3.55Å; L112-A124 HydrophobicContact CG-CB 3.8Å; A124-L132 WeakPolarHBondContact O-CA 3.42Å; A124-V133 HydrophobicContact CB-CG2 3.7Å; A124-V133 PolarHBondContact N-O 3.49Å; A124-V133 PolarHBondContact O-N 2.92Å; A124-V135 HydrophobicContact CB-CG2 3.89Å
125K87.7Confident88.6Confident123 Ų12342.2 Ų42.254%0.53523%0.233SC..EExtended strand (participates in β ladder)trans-80.1145.9175.359.5155.8178.6175.40111.4Q57 H110Q57-K125 VanDerWaalsContact NE2-CD 3.33Å; H110-K125 VanDerWaalsContact ND1-C 3.27Å; H110-K125 PolarHBondContact ND1-O 2.91Å
126C92.4Very high88.8Confident6 Ų644 Ų444%0.04125%0.246CC..BIsolated β-bridgetrans-71.1147168.6-173.50000110.1C104 H110 N128 C129 L131C104-C126 HydrophobicContact CB-CB 4.38Å; C104-C126 VanDerWaalsContact CB-SG 3.57Å; H110-C126 VanDerWaalsContact CE1-CB 3.5Å; H110-C126 WeakPolarHBondContact CE1-CB 3.26Å; H110-C126 PolarHBondContact CE1-N 3.28Å; H110-C126 PolarHBondContact ND1-N 2.88Å; C126-N128 VanDerWaalsContact C-N 3.34Å; C126-N128 PolarHBondContact SG-N 2.92Å; C126-C129 WeakPolarHBondContact CB-O 3.33Å; C126-C129 WeakPolarHBondContact CB-SG 3.47Å; C126-L131 PolarHBondContact N-O 2.93Å
127T89.8Confident88.9Confident100 Ų10045.2 Ų45.261%0.61325%0.25SC*.SBendtrans-75.7-23.9172.755.30000112.9S109 V111S109-T127 WeakPolarHBondContact O-CG2 3.27Å; S109-T127 PolarHBondContact O-N 3.17Å; S109-T127 PolarHBondContact O-OG1 2.78Å; V111-T127 HydrophobicContact CB-CG2 4.29Å; V111-T127 HydrophobicContact CG2-CG2 3.71Å
128N89.6Confident88.5Confident114 Ų11448 Ų4861%0.6127%0.268SS*.SBendtrans-106.6-19.6-172.8-164.959.7000113.8C126C126-N128 VanDerWaalsContact C-N 3.34Å; C126-N128 PolarHBondContact SG-N 2.92Å
129C90.5Very high87.7Confident38 Ų3854.2 Ų54.226%0.25730%0.296SS..SBendtrans-145.3177.9-177.874.60000112.4C104 C106 C126 L131C104-C129 VanDerWaalsContact SG-SG 3.7Å; C106-C129 HydrophobicContact CB-CB 4.3Å; C106-C129 PolarHBondContact SG-SG 3.44Å; C126-C129 WeakPolarHBondContact CB-O 3.33Å; C126-C129 WeakPolarHBondContact CB-SG 3.47Å; C129-L131 VanDerWaalsContact C-N 3.29Å; C129-L131 PolarHBondContact O-N 3.44Å; C129-L131 VanDerWaalsContact SG-CB 3.53Å; C129-L131 VanDerWaalsContact SG-CG 3.6Å; C129-L131 PolarHBondContact SG-N 3.32Å; C129-L131 VanDerWaalsContact SG-N 3.44Å
130S85.9Confident86.4Confident106 Ų10657 Ų5774%0.74132%0.316SS*.SBendtrans-84.54.1179.4-50.30000114.4P68 L132P68-S130 WeakPolarHBondContact CG-O 3.46Å; S130-L132 WeakPolarHBondContact O-CD1 3.48Å
131L89.8Confident84.3Confident48 Ų4863.9 Ų63.925%0.25135%0.348SS..  trans-70.3148.1178.6-65.5173.4000111.2P68 Q70 H110 C126 C129P68-L131 HydrophobicContact CB-CD2 4.05Å; Q70-L131 HydrophobicContact CB-CD1 4.44Å; Q70-L131 HydrophobicContact CB-CD2 4.42Å; H110-L131 PolarHBondContact CE1-O 2.82Å; C126-L131 PolarHBondContact N-O 2.93Å; C129-L131 VanDerWaalsContact C-N 3.29Å; C129-L131 PolarHBondContact O-N 3.44Å; C129-L131 VanDerWaalsContact SG-CB 3.53Å; C129-L131 VanDerWaalsContact SG-CG 3.6Å; C129-L131 PolarHBondContact SG-N 3.32Å; C129-L131 VanDerWaalsContact SG-N 3.44Å
132L89.4Confident84.1Confident13 Ų1366.5 Ų66.57%0.06836%0.362CS..EExtended strand (participates in β ladder)trans-118.9153.5172.3-59.799.9000110.1I61 L67 P68 I69 Q70 A124 S130I61-L132 HydrophobicContact CD1-CD2 3.53Å; I61-L132 HydrophobicContact CG1-CD2 3.9Å; I61-L132 HydrophobicContact CG2-CD2 4.22Å; L67-L132 HydrophobicContact CD2-CD1 3.85Å; L67-L132 HydrophobicContact CD2-CD2 4.35Å; P68-L132 HydrophobicContact CG-CD1 4.04Å; P68-L132 PolarHBondContact O-N 3.35Å; I69-L132 WeakPolarHBondContact CA-O 3.33Å; Q70-L132 PolarHBondContact N-O 2.91Å; Q70-L132 PolarHBondContact NE2-O 2.97Å; A124-L132 WeakPolarHBondContact O-CA 3.42Å; S130-L132 WeakPolarHBondContact O-CD1 3.48Å
133V92Very high84Confident0 Ų068.1 Ų68.10%037%0.368CS..EExtended strand (participates in β ladder)trans-112.8141.9163.8-66.10000108.6Q70 S71 V73 F78 F102 H110 Y123 A124 V135Q70-V133 HydrophobicContact CG-CG1 3.75Å; S71-V133 WeakPolarHBondContact O-CA 3.49Å; V73-V133 HydrophobicContact CG1-CB 4.41Å; V73-V133 HydrophobicContact CG1-CG1 4.35Å; V73-V133 HydrophobicContact CG2-CB 3.71Å; V73-V133 HydrophobicContact CG2-CG1 4.4Å; V73-V133 HydrophobicContact CG2-CG2 3.75Å; F78-V133 HydrophobicContact CZ-CG2 4.04Å; F102-V133 HydrophobicContact CD1-CG1 4.31Å; F102-V133 HydrophobicContact CE1-CG1 4.49Å; H110-V133 HydrophobicContact CB-CG2 4.18Å; Y123-V133 VanDerWaalsContact CA-O 3.3Å; Y123-V133 WeakPolarHBondContact CA-O 3.36Å; A124-V133 HydrophobicContact CB-CG2 3.7Å; A124-V133 PolarHBondContact N-O 3.49Å; A124-V133 PolarHBondContact O-N 2.92Å; V133-V135 HydrophobicContact CG2-CG2 4.05Å
134H91.5Very high83.7Confident61 Ų6168.7 Ų68.728%0.28238%0.376SS..EExtended strand (participates in β ladder)trans-84.6120.4171.7176.9-98.7000109.1I69 S71 D72 V73 P122 Y123I69-H134 HydrophobicContact CG2-CB 4.12Å; S71-H134 PolarHBondContact O-N 2.87Å; D72-H134 CarbonylContact C-O 3.58Å; D72-H134 WeakPolarHBondContact CA-O 3.31Å; D72-H134 HydrophobicContact CB-CB 4.35Å; V73-H134 PolarHBondContact N-O 3.45Å; P122-H134 CarbonylContact O-C 3.44Å; P122-H134 WeakPolarHBondContact O-CA 3.5Å; P122-H134 PolarHBondContact O-CD2 3.38Å; Y123-H134 HydrophobicContact CD1-CB 4.35Å; Y123-H134 HydrophobicContact CE1-CB 4.34Å; Y123-H134 AromaticContact CE1-CD2 3.58Å
135V92.2Very high83.3Confident3 Ų372.6 Ų72.62%0.01840%0.397CS..EExtended strand (participates in β ladder)trans-101.5116.7-173.1-170.80000109.7V73 F75 F78 L112 P122 A124 V133 Y137V73-V135 HydrophobicContact CG2-CG2 4.3Å; V73-V135 CarbonylContact O-C 3.57Å; V73-V135 VanDerWaalsContact O-CA 3.32Å; V73-V135 WeakPolarHBondContact O-CA 3.37Å; F75-V135 HydrophobicContact CB-CG1 4.04Å; F78-V135 HydrophobicContact CE2-CB 4.49Å; F78-V135 HydrophobicContact CE2-CG1 3.84Å; F78-V135 HydrophobicContact CE2-CG2 3.89Å; F78-V135 HydrophobicContact CZ-CG1 4.39Å; F78-V135 HydrophobicContact CZ-CG2 3.73Å; L112-V135 HydrophobicContact CD1-CG1 4.23Å; L112-V135 HydrophobicContact CD1-CG2 4.1Å; P122-V135 PolarHBondContact O-N 3.49Å; A124-V135 HydrophobicContact CB-CG2 3.89Å; V133-V135 HydrophobicContact CG2-CG2 4.05Å; V135-Y137 HydrophobicContact CB-CE2 3.99Å; V135-Y137 HydrophobicContact CG1-CD2 4.37Å; V135-Y137 HydrophobicContact CG1-CE1 4.09Å; V135-Y137 HydrophobicContact CG1-CE2 3.72Å
136S91.5Very high83Confident48 Ų4869.5 Ų69.534%0.33639%0.389SS..EExtended strand (participates in β ladder)trans-97.3119.2176-52.50000109.4V73 S74 F75V73-S136 PolarHBondContact O-N 2.9Å; S74-S136 CarbonylContact C-O 3.55Å; S74-S136 WeakPolarHBondContact CA-O 3.5Å; F75-S136 PolarHBondContact N-O 3.26Å
137Y88.4Confident82.4Confident33 Ų3373.7 Ų73.713%0.12941%0.412CS..PPolyproline II helixtrans-93.6131.4177-60.7-93.1000109.1F75 V117 Q120 V121 V135 E139F75-Y137 HydrophobicContact CB-CD1 3.63Å; F75-Y137 HydrophobicContact CB-CE1 3.91Å; F75-Y137 HydrophobicContact CB-CG 4.29Å; F75-Y137 HydrophobicContact CD1-CD1 4.22Å; F75-Y137 HydrophobicContact CD2-CD1 4.14Å; F75-Y137 AromaticContact CD2-CE1 3.7Å; F75-Y137 HydrophobicContact CD2-CE1 3.7Å; F75-Y137 HydrophobicContact CE2-CE1 4.43Å; F75-Y137 AromaticContact CG-CD1 3.71Å; F75-Y137 HydrophobicContact CG-CD1 3.71Å; F75-Y137 AromaticContact CG-CE1 3.77Å; F75-Y137 HydrophobicContact CG-CE1 3.77Å; V117-Y137 HydrophobicContact CB-CE1 4.29Å; V117-Y137 HydrophobicContact CG1-CD1 4.46Å; V117-Y137 HydrophobicContact CG1-CE1 3.98Å; V117-Y137 HydrophobicContact CG2-CE1 4.48Å; Q120-Y137 HydrophobicContact CB-CD2 3.51Å; Q120-Y137 HydrophobicContact CB-CE2 3.78Å; Q120-Y137 HydrophobicContact CB-CG 3.92Å; Q120-Y137 HydrophobicContact CG-CD1 3.99Å; Q120-Y137 HydrophobicContact CG-CD2 3.73Å; Q120-Y137 HydrophobicContact CG-CE2 4.3Å; Q120-Y137 HydrophobicContact CG-CG 3.57Å; V121-Y137 PolarHBondContact N-OH 2.98Å; V121-Y137 VanDerWaalsContact O-CE2 3.22Å; V121-Y137 WeakPolarHBondContact O-CE2 3.45Å; V121-Y137 PolarHBondContact O-OH 2.92Å; V121-Y137 VanDerWaalsContact O-OH 3.04Å; V135-Y137 HydrophobicContact CB-CE2 3.99Å; V135-Y137 HydrophobicContact CG1-CD2 4.37Å; V135-Y137 HydrophobicContact CG1-CE1 4.09Å; V135-Y137 HydrophobicContact CG1-CE2 3.72Å; Y137-E139 PolarHBondContact O-N 3.39Å
138P79Confident81.8Confident81 Ų8171.9 Ų71.953%0.52640%0.398SS..PPolyproline II helixtrans-61.3126.9169.826.7-31.7000108.1S140P138-S140 PolarHBondContact O-N 3.15Å
139E66.9Low81.2Confident167 Ų16768.6 Ų68.678%0.7838%0.381SS*.  trans-63.2105163.6-73.7-177.685.400106.3Y137 H141Y137-E139 PolarHBondContact O-N 3.39Å; E139-H141 VanDerWaalsContact C-N 3.29Å; E139-H141 PolarHBondContact O-N 2.63Å
140S57.9Low80.5Confident88 Ų8871.2 Ų71.262%0.61539%0.392SS*.  trans-60.499.3169.2-390000106.4P138P138-S140 PolarHBondContact O-N 3.15Å
141H41.2Very low80Confident206 Ų20668 Ų6895%0.95436%0.36SS*.  trans-70.70-178.8-138.8-90.9000109.9N29 E139N29-H141 PolarHBondContact ND2-OXT 2.9Å; E139-H141 VanDerWaalsContact C-N 3.29Å; E139-H141 PolarHBondContact O-N 2.63Å

Retrieved 141 of 141 residues in 31.7 ms (Link to these results)

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