A0A5K4F8R5_SCHMA Loading...

BolA-like protein

AlphaFold DB , UniProt , Accession A0A5K4F8R5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 80 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
1M77.4Confident88.4Confident93 Ų9369.5 Ų69.546%0.45834%0.344SS..  0-61.80-157.857.315900112.4D3 Q4 I5 F30 E58 V62M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 3.02Å; M1-Q4 PolarHBondContact O-N 3.23Å; M1-Q4 VanDerWaalsContact O-N 3.11Å; M1-I5 PolarHBondContact O-N 3.36Å; M1-F30 HydrophobicContact CB-CZ 4.24Å; M1-F30 HydrophobicContact CG-CE2 3.99Å; M1-F30 HydrophobicContact CG-CZ 4.12Å; M1-E58 HydrophobicContact CE-CB 3.67Å; M1-E58 HydrophobicContact CE-CG 3.99Å; M1-E58 WeakPolarHBondContact CE-O 3.32Å; M1-E58 HydrophobicContact SD-CB 4.48Å; M1-E58 HydrophobicContact SD-CG 4.18Å; M1-V62 HydrophobicContact CE-CG2 3.67Å
2K84Confident88.3Confident110 Ų11065.8 Ų65.848%0.47833%0.326SS..Hα-helixtrans-48-46.7177.8173.1177172.1176.50113.9Q4 I5 E6 I19K2-Q4 VanDerWaalsContact C-N 3.34Å; K2-Q4 PolarHBondContact O-N 3.03Å; K2-I5 PolarHBondContact O-N 3.49Å; K2-E6 PolarHBondContact O-N 3.23Å; K2-I19 HydrophobicContact CD-CB 4.42Å; K2-I19 HydrophobicContact CD-CG2 4.43Å; K2-I19 HydrophobicContact CG-CB 4.2Å; K2-I19 HydrophobicContact CG-CD1 4.17Å; K2-I19 HydrophobicContact CG-CG2 4Å
3D87.3Confident88.4Confident94 Ų9471.2 Ų71.250%0.50336%0.357SS..Hα-helixtrans-58-43.2-178.7-176.3-95.4000112.7M1 I5 E6 Q7M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 3.02Å; D3-I5 PolarHBondContact O-N 2.71Å; D3-E6 PolarHBondContact O-N 2.72Å; D3-Q7 VanDerWaalsContact O-CG 3.28Å; D3-Q7 WeakPolarHBondContact O-CG 3.22Å; D3-Q7 PolarHBondContact O-N 3.18Å
4Q88.1Confident88.7Confident105 Ų10567.9 Ų67.949%0.49134%0.343SS..Hα-helixtrans-62.3-46.7178.5-65-66.7-72.100111.7M1 K2 E6 Q7 K8 E58M1-Q4 PolarHBondContact O-N 3.23Å; M1-Q4 VanDerWaalsContact O-N 3.11Å; K2-Q4 VanDerWaalsContact C-N 3.34Å; K2-Q4 PolarHBondContact O-N 3.03Å; Q4-E6 VanDerWaalsContact C-N 3.31Å; Q4-E6 PolarHBondContact O-N 3.16Å; Q4-Q7 PolarHBondContact O-N 3.42Å; Q4-K8 WeakPolarHBondContact O-CG 3.47Å; Q4-K8 PolarHBondContact O-N 2.87Å; Q4-E58 HydrophobicContact CB-CG 4.43Å
5I89Confident88.9Confident1 Ų170.7 Ų70.71%0.00536%0.359CS..Hα-helixtrans-57.7-47176.1-63.8171000110M1 K2 D3 Q7 K8 L9 I19 F30 V32 L55 E58M1-I5 PolarHBondContact O-N 3.36Å; K2-I5 PolarHBondContact O-N 3.49Å; D3-I5 PolarHBondContact O-N 2.71Å; I5-Q7 PolarHBondContact O-N 3.14Å; I5-K8 PolarHBondContact O-N 2.82Å; I5-L9 HydrophobicContact CG2-CD1 3.74Å; I5-L9 HydrophobicContact CG2-CG 4.42Å; I5-L9 WeakPolarHBondContact O-CB 3.28Å; I5-L9 WeakPolarHBondContact O-CD1 3.28Å; I5-L9 WeakPolarHBondContact O-CG 3.43Å; I5-L9 PolarHBondContact O-N 3.15Å; I5-I19 HydrophobicContact CB-CD1 4.19Å; I5-I19 HydrophobicContact CG2-CD1 3.84Å; I5-F30 HydrophobicContact CD1-CD2 4.38Å; I5-F30 HydrophobicContact CD1-CG 4.46Å; I5-V32 HydrophobicContact CG2-CG1 4.43Å; I5-V32 HydrophobicContact CG2-CG2 3.89Å; I5-L55 HydrophobicContact CB-CD2 4.15Å; I5-L55 HydrophobicContact CG1-CD2 4.17Å; I5-L55 HydrophobicContact CG2-CD1 3.89Å; I5-L55 HydrophobicContact CG2-CD2 3.93Å; I5-E58 HydrophobicContact CG1-CB 4.36Å; I5-E58 HydrophobicContact CG1-CG 4.2Å
6E90.9Very high89.1Confident52 Ų5270.3 Ų70.324%0.24336%0.355CS..Hα-helixtrans-61.2-45.5178.7-165.1-175.498.900112.2K2 D3 Q4 L9 K10 I17 I19K2-E6 PolarHBondContact O-N 3.23Å; D3-E6 PolarHBondContact O-N 2.72Å; Q4-E6 VanDerWaalsContact C-N 3.31Å; Q4-E6 PolarHBondContact O-N 3.16Å; E6-L9 PolarHBondContact O-N 3.03Å; E6-K10 HydrophobicContact CG-CD 4.42Å; E6-K10 WeakPolarHBondContact O-CG 3.2Å; E6-K10 PolarHBondContact O-N 2.93Å; E6-K10 WeakPolarHBondContact OE1-CE 3.12Å; E6-K10 IonicContact OE1-NZ 2.7Å; E6-K10 PolarHBondContact OE1-NZ 3.02Å; E6-I17 HydrophobicContact CG-CD1 4.22Å; E6-I17 HydrophobicContact CG-CG2 4.34Å; E6-I19 HydrophobicContact CB-CD1 3.68Å; E6-I19 HydrophobicContact CG-CD1 4.26Å
7Q91.8Very high89.3Confident91 Ų9168.5 Ų68.543%0.42535%0.346SS..Hα-helixtrans-61.4-45.4178.1-69.3-62.3-43.600111.8D3 Q4 I5 L9 K10 S11D3-Q7 VanDerWaalsContact O-CG 3.28Å; D3-Q7 WeakPolarHBondContact O-CG 3.22Å; D3-Q7 PolarHBondContact O-N 3.18Å; Q4-Q7 PolarHBondContact O-N 3.42Å; I5-Q7 PolarHBondContact O-N 3.14Å; Q7-L9 VanDerWaalsContact C-N 3.32Å; Q7-L9 PolarHBondContact O-N 2.94Å; Q7-K10 WeakPolarHBondContact O-CB 3.33Å; Q7-K10 PolarHBondContact O-N 2.72Å; Q7-S11 PolarHBondContact O-N 3.19Å; Q7-S11 PolarHBondContact O-OG 3.36Å
8K90.8Very high89.5Confident42 Ų4268.7 Ų68.718%0.18335%0.345CS..Hα-helixtrans-64-38.8177.7-67.7-156.5-175.6179.30112Q4 I5 S11 L54 L55 E57 E58Q4-K8 WeakPolarHBondContact O-CG 3.47Å; Q4-K8 PolarHBondContact O-N 2.87Å; I5-K8 PolarHBondContact O-N 2.82Å; K8-S11 VanDerWaalsContact O-CB 3.28Å; K8-S11 WeakPolarHBondContact O-CB 3.21Å; K8-S11 PolarHBondContact O-N 2.7Å; K8-S11 PolarHBondContact O-OG 3.18Å; K8-L54 WeakPolarHBondContact CD-O 3.32Å; K8-L54 PolarHBondContact NZ-O 3.32Å; K8-L55 HydrophobicContact CB-CD2 3.91Å; K8-L55 HydrophobicContact CD-CD2 4.27Å; K8-E57 IonicContact NZ-OE2 3.48Å; K8-E57 PolarHBondContact NZ-OE2 3.22Å; K8-E58 WeakPolarHBondContact CD-OE1 3.37Å; K8-E58 WeakPolarHBondContact CE-OE1 3.2Å; K8-E58 WeakPolarHBondContact CE-OE2 3.2Å; K8-E58 IonicContact NZ-OE1 2.8Å; K8-E58 PolarHBondContact NZ-OE1 2.79Å; K8-E58 IonicContact NZ-OE2 2.68Å; K8-E58 PolarHBondContact NZ-OE2 3.29Å
9L91.3Very high89.6Confident0 Ų065.9 Ų65.90%033%0.331CS..Hα-helixtrans-68.8-34.8175.8-68.3169.4000112.7I5 E6 Q7 S11 L12 P14 I17 V32 V34 V51I5-L9 HydrophobicContact CG2-CD1 3.74Å; I5-L9 HydrophobicContact CG2-CG 4.42Å; I5-L9 WeakPolarHBondContact O-CB 3.28Å; I5-L9 WeakPolarHBondContact O-CD1 3.28Å; I5-L9 WeakPolarHBondContact O-CG 3.43Å; I5-L9 PolarHBondContact O-N 3.15Å; E6-L9 PolarHBondContact O-N 3.03Å; Q7-L9 VanDerWaalsContact C-N 3.32Å; Q7-L9 PolarHBondContact O-N 2.94Å; L9-S11 PolarHBondContact O-N 3.28Å; L9-L12 WeakPolarHBondContact O-CB 3.48Å; L9-L12 PolarHBondContact O-N 3.22Å; L9-P14 WeakPolarHBondContact O-CD 3.39Å; L9-P14 WeakPolarHBondContact O-CG 3.19Å; L9-I17 HydrophobicContact CB-CD1 4.11Å; L9-I17 HydrophobicContact CD1-CG2 4.05Å; L9-V32 HydrophobicContact CD1-CG1 3.33Å; L9-V34 HydrophobicContact CD2-CB 4.48Å; L9-V34 HydrophobicContact CD2-CG1 4.4Å; L9-V34 HydrophobicContact CD2-CG2 4.38Å; L9-V51 HydrophobicContact CD2-CG1 3.77Å; L9-V51 HydrophobicContact CD2-CG2 4.31Å
10K91.7Very high89.6Confident91 Ų9165.4 Ų65.440%0.39633%0.332SS..Hα-helixtrans-56.4-30.7175-81.7168.2167164.10112.3E6 Q7 L12 N13 I17E6-K10 HydrophobicContact CG-CD 4.42Å; E6-K10 WeakPolarHBondContact O-CG 3.2Å; E6-K10 PolarHBondContact O-N 2.93Å; E6-K10 WeakPolarHBondContact OE1-CE 3.12Å; E6-K10 IonicContact OE1-NZ 2.7Å; E6-K10 PolarHBondContact OE1-NZ 3.02Å; Q7-K10 WeakPolarHBondContact O-CB 3.33Å; Q7-K10 PolarHBondContact O-N 2.72Å; K10-L12 PolarHBondContact O-N 3.49Å; K10-L12 VanDerWaalsContact O-N 3.14Å; K10-N13 PolarHBondContact O-N 2.92Å; K10-I17 HydrophobicContact CG-CD1 3.73Å
11S90.1Very high89.6Confident86 Ų8665.1 Ų65.160%0.60133%0.331SS*.THydrogen-bonded Turntrans-58.9-21.5173.5-24.60000114.2Q7 K8 L9 N13Q7-S11 PolarHBondContact O-N 3.19Å; Q7-S11 PolarHBondContact O-OG 3.36Å; K8-S11 VanDerWaalsContact O-CB 3.28Å; K8-S11 WeakPolarHBondContact O-CB 3.21Å; K8-S11 PolarHBondContact O-N 2.7Å; K8-S11 PolarHBondContact O-OG 3.18Å; L9-S11 PolarHBondContact O-N 3.28Å; S11-N13 VanDerWaalsContact C-N 3.27Å
12L87.6Confident90Very high24 Ų2467 Ų6713%0.12634%0.337CS..THydrogen-bonded Turntrans-86.910.3176.2-66.3176.6000113.4L9 K10 P14 S36 F39 I50 V51 L54L9-L12 WeakPolarHBondContact O-CB 3.48Å; L9-L12 PolarHBondContact O-N 3.22Å; K10-L12 PolarHBondContact O-N 3.49Å; K10-L12 VanDerWaalsContact O-N 3.14Å; L12-P14 VanDerWaalsContact C-CD 3.44Å; L12-P14 VanDerWaalsContact C-N 3.32Å; L12-S36 PolarHBondContact O-OG 2.82Å; L12-F39 HydrophobicContact CD1-CE1 4.31Å; L12-F39 HydrophobicContact CD1-CZ 4.04Å; L12-I50 HydrophobicContact CD1-CG2 4.3Å; L12-I50 HydrophobicContact CD2-CG2 4.02Å; L12-V51 HydrophobicContact CD1-CG2 4.19Å; L12-L54 HydrophobicContact CD1-CD1 3.48Å; L12-L54 VanDerWaalsContact CD1-CD1 3.48Å; L12-L54 HydrophobicContact CD2-CD1 3.83Å; L12-L54 HydrophobicContact CG-CD1 3.54Å
13N89.8Confident89.9Confident136 Ų13662.4 Ų62.473%0.72732%0.319SS*.  trans4054.7-170.9-76.916.4000113.5K10 S11K10-N13 PolarHBondContact O-N 2.92Å; S11-N13 VanDerWaalsContact C-N 3.27Å
14P91.9Very high89.5Confident26 Ų2665.9 Ų65.917%0.16934%0.338CS..  trans-69139.7-178.930.9-35.2000110.7L9 L12 H16 I17 V34 V35L9-P14 WeakPolarHBondContact O-CD 3.39Å; L9-P14 WeakPolarHBondContact O-CG 3.19Å; L12-P14 VanDerWaalsContact C-CD 3.44Å; L12-P14 VanDerWaalsContact C-N 3.32Å; P14-H16 VanDerWaalsContact C-N 3.26Å; P14-I17 HydrophobicContact CB-CD1 4.42Å; P14-I17 HydrophobicContact CB-CG1 3.83Å; P14-I17 HydrophobicContact CG-CD1 3.36Å; P14-I17 HydrophobicContact CG-CG1 3.29Å; P14-V34 HydrophobicContact CB-CG2 3.57Å; P14-V34 HydrophobicContact CG-CG2 4.3Å; P14-V35 CarbonylContact C-O 3.58Å; P14-V35 VanDerWaalsContact C-O 3.29Å; P14-V35 WeakPolarHBondContact CA-O 3.31Å; P14-V35 WeakPolarHBondContact CB-O 3.17Å
15L91.9Very high88.8Confident110 Ų11064 Ų6458%0.57635%0.347SS*.SBendtrans-67.6-29.2170-65.5173.9000112V35 Q37 P72L15-V35 HydrophobicContact CB-CG1 4.32Å; L15-V35 PolarHBondContact N-O 2.83Å; L15-Q37 HydrophobicContact CD1-CG 4.39Å; L15-P72 HydrophobicContact CD1-CB 3.49Å; L15-P72 VanDerWaalsContact CD1-CB 3.49Å; L15-P72 HydrophobicContact CD1-CG 3.56Å
16H91.8Very high88.2Confident63 Ų6368.4 Ų68.429%0.29238%0.376SS..EExtended strand (participates in β ladder)trans-150.9137.3178.5-17779.5000111P14 V34 V35P14-H16 VanDerWaalsContact C-N 3.26Å; H16-V34 WeakPolarHBondContact O-CA 3.44Å; H16-V35 HydrophobicContact CB-CB 3.89Å; H16-V35 HydrophobicContact CB-CG2 3.83Å; H16-V35 PolarHBondContact N-O 2.97Å; H16-V35 PolarHBondContact O-N 3Å
17I93Very high87.5Confident40 Ų4067.1 Ų67.121%0.20538%0.377CS..EExtended strand (participates in β ladder)trans-129.7129.5173.8-51174.4000107.9E6 L9 K10 P14 I19 K33E6-I17 HydrophobicContact CG-CD1 4.22Å; E6-I17 HydrophobicContact CG-CG2 4.34Å; L9-I17 HydrophobicContact CB-CD1 4.11Å; L9-I17 HydrophobicContact CD1-CG2 4.05Å; K10-I17 HydrophobicContact CG-CD1 3.73Å; P14-I17 HydrophobicContact CB-CD1 4.42Å; P14-I17 HydrophobicContact CB-CG1 3.83Å; P14-I17 HydrophobicContact CG-CD1 3.36Å; P14-I17 HydrophobicContact CG-CG1 3.29Å; I17-I19 HydrophobicContact CG2-CD1 4.17Å; I17-I19 HydrophobicContact CG2-CG1 4.01Å; I17-K33 CarbonylContact C-O 3.56Å; I17-K33 WeakPolarHBondContact CA-O 3.24Å
18E92.1Very high87.1Confident72 Ų7266 Ų6634%0.33637%0.373SS..EExtended strand (participates in β ladder)trans-134.9124.8173.1174.7-179.985.500108.6V20 V32 K33E18-V20 HydrophobicContact CG-CG2 4.11Å; E18-V32 CarbonylContact O-C 3.29Å; E18-V32 WeakPolarHBondContact O-CA 3.42Å; E18-K33 HydrophobicContact CB-CB 4.21Å; E18-K33 PolarHBondContact N-O 3.36Å; E18-K33 PolarHBondContact O-N 3.29Å; E18-K33 WeakPolarHBondContact OE1-CE 3.42Å; E18-K33 IonicContact OE1-NZ 2.72Å; E18-K33 PolarHBondContact OE1-NZ 3.12Å
19I91.1Very high87Confident16 Ų1669.4 Ų69.48%0.08239%0.388CS..EExtended strand (participates in β ladder)trans-125.8117.1-178.9-54.2169.9000108.1K2 I5 E6 I17 F30 D31 V32K2-I19 HydrophobicContact CD-CB 4.42Å; K2-I19 HydrophobicContact CD-CG2 4.43Å; K2-I19 HydrophobicContact CG-CB 4.2Å; K2-I19 HydrophobicContact CG-CD1 4.17Å; K2-I19 HydrophobicContact CG-CG2 4Å; I5-I19 HydrophobicContact CB-CD1 4.19Å; I5-I19 HydrophobicContact CG2-CD1 3.84Å; E6-I19 HydrophobicContact CB-CD1 3.68Å; E6-I19 HydrophobicContact CG-CD1 4.26Å; I17-I19 HydrophobicContact CG2-CD1 4.17Å; I17-I19 HydrophobicContact CG2-CG1 4.01Å; I19-F30 HydrophobicContact CG2-CD1 4.37Å; I19-D31 WeakPolarHBondContact CA-O 3.41Å; I19-V32 HydrophobicContact CG1-CG1 4.42Å; I19-V32 HydrophobicContact CG1-CG2 4.27Å; I19-V32 HydrophobicContact CG2-CG2 4.11Å
20V90.1Very high87Confident56 Ų5670.1 Ų70.134%0.33939%0.391SS..EExtended strand (participates in β ladder)trans-117.8126.7-178.6-175.20000109E18 F22 F30 D31E18-V20 HydrophobicContact CG-CG2 4.11Å; V20-F22 HydrophobicContact CB-CD2 4.05Å; V20-F22 HydrophobicContact CB-CE2 3.68Å; V20-F22 HydrophobicContact CG1-CD2 3.75Å; V20-F22 HydrophobicContact CG1-CE2 3.4Å; V20-F22 VanDerWaalsContact CG1-CE2 3.4Å; V20-F22 HydrophobicContact CG1-CZ 3.98Å; V20-F30 CarbonylContact O-C 3.59Å; V20-F30 WeakPolarHBondContact O-CA 3.3Å; V20-D31 HydrophobicContact CB-CB 4.45Å; V20-D31 PolarHBondContact N-O 3.5Å; V20-D31 PolarHBondContact O-N 3.2Å
21D89.2Confident86.9Confident59 Ų5966.6 Ų66.632%0.31638%0.377SS..EExtended strand (participates in β ladder)trans-82.1120.9170.1-179-113.4000109.6S23 G25 K29 F30D21-S23 VanDerWaalsContact CG-OG 3.31Å; D21-S23 PolarHBondContact OD1-N 3.29Å; D21-S23 PolarHBondContact OD1-OG 3.36Å; D21-S23 PolarHBondContact OD2-OG 3.32Å; D21-G25 WeakPolarHBondContact OD1-CA 3.39Å; D21-G25 PolarHBondContact OD1-N 2.95Å; D21-K29 VanDerWaalsContact OD2-O 3.07Å; D21-F30 HydrophobicContact CB-CD1 4.03Å; D21-F30 HydrophobicContact CB-CE1 3.89Å; D21-F30 WeakPolarHBondContact OD2-CE1 3.47Å
22F85.6Confident87Confident132 Ų13262.5 Ų62.558%0.57935%0.348SS*.  trans-10715.2178.5-85-85.6000112.2V20 K29 D31V20-F22 HydrophobicContact CB-CD2 4.05Å; V20-F22 HydrophobicContact CB-CE2 3.68Å; V20-F22 HydrophobicContact CG1-CD2 3.75Å; V20-F22 HydrophobicContact CG1-CE2 3.4Å; V20-F22 VanDerWaalsContact CG1-CE2 3.4Å; V20-F22 HydrophobicContact CG1-CZ 3.98Å; F22-K29 HydrophobicContact CB-CB 4.32Å; F22-K29 PolarHBondContact N-O 3.23Å; F22-D31 HydrophobicContact CD2-CB 3.41Å; F22-D31 VanDerWaalsContact CD2-CB 3.41Å; F22-D31 HydrophobicContact CE2-CB 3.35Å
23S82Confident87.3Confident15 Ų1563.2 Ų63.211%0.10535%0.35CS..SBendtrans-10422.7-177.264.70000114D21 G25 C26 G27 L28 K29D21-S23 VanDerWaalsContact CG-OG 3.31Å; D21-S23 PolarHBondContact OD1-N 3.29Å; D21-S23 PolarHBondContact OD1-OG 3.36Å; D21-S23 PolarHBondContact OD2-OG 3.32Å; S23-G25 PolarHBondContact O-N 3.41Å; S23-C26 VanDerWaalsContact O-CB 3.28Å; S23-C26 WeakPolarHBondContact O-CB 3.45Å; S23-C26 PolarHBondContact O-N 3.25Å; S23-C26 PolarHBondContact O-SG 3.4Å; S23-G27 VanDerWaalsContact OG-CA 3.31Å; S23-G27 WeakPolarHBondContact OG-CA 3.13Å; S23-G27 PolarHBondContact OG-N 3Å; S23-L28 PolarHBondContact OG-N 3.23Å; S23-K29 VanDerWaalsContact CB-N 3.26Å; S23-K29 PolarHBondContact OG-N 2.89Å
24D79.1Confident87.4Confident167 Ų16756.8 Ų56.889%0.89332%0.316SS*.THydrogen-bonded Turntrans56.230.9-179.2-143.6-115.5000111.9
25G73.6Confident87.5Confident66 Ų6655.5 Ų55.568%0.6831%0.308SS*.THydrogen-bonded Turntrans87.7-1.8-177.100000115.5D21 S23 G27D21-G25 WeakPolarHBondContact OD1-CA 3.39Å; D21-G25 PolarHBondContact OD1-N 2.95Å; S23-G25 PolarHBondContact O-N 3.41Å; G25-G27 PolarHBondContact O-N 3.31Å
26C76.3Confident87.6Confident92 Ų9250.4 Ų50.462%0.62228%0.281SS*.SBendtrans-69-16.5176.1-66.30000113.5S23 L28S23-C26 VanDerWaalsContact O-CB 3.28Å; S23-C26 WeakPolarHBondContact O-CB 3.45Å; S23-C26 PolarHBondContact O-N 3.25Å; S23-C26 PolarHBondContact O-SG 3.4Å; C26-L28 VanDerWaalsContact C-N 3.28Å; C26-L28 HydrophobicContact CB-CD1 4.06Å; C26-L28 HydrophobicContact CB-CG 3.87Å; C26-L28 PolarHBondContact O-N 3.11Å
27G76.5Confident87.6Confident25 Ų2553.4 Ų53.426%0.25830%0.295SS..SBendtrans65.824.8-173.600000114.6S23 G25 F30S23-G27 VanDerWaalsContact OG-CA 3.31Å; S23-G27 WeakPolarHBondContact OG-CA 3.13Å; S23-G27 PolarHBondContact OG-N 3Å; G25-G27 PolarHBondContact O-N 3.31Å; G27-F30 WeakPolarHBondContact O-CE2 3.43Å
28L83.1Confident87.4Confident68 Ų6856.1 Ų56.136%0.35631%0.307SS..SBendtrans-98-20.4-178.5-59.3179.9000113.5S23 C26 V62 H63 A64S23-L28 PolarHBondContact OG-N 3.23Å; C26-L28 VanDerWaalsContact C-N 3.28Å; C26-L28 HydrophobicContact CB-CD1 4.06Å; C26-L28 HydrophobicContact CB-CG 3.87Å; C26-L28 PolarHBondContact O-N 3.11Å; L28-V62 WeakPolarHBondContact O-CG1 3.19Å; L28-H63 HydrophobicContact CB-CB 4.39Å; L28-H63 PolarHBondContact O-N 2.76Å; L28-A64 PolarHBondContact O-N 3.39Å
29K89.4Confident87.4Confident114 Ų11452.7 Ų52.750%0.49629%0.291SS..EExtended strand (participates in β ladder)trans-133.9114.2-175.3-54.1-169.8178.9172.50110.8D21 F22 S23 A64D21-K29 VanDerWaalsContact OD2-O 3.07Å; F22-K29 HydrophobicContact CB-CB 4.32Å; F22-K29 PolarHBondContact N-O 3.23Å; S23-K29 VanDerWaalsContact CB-N 3.26Å; S23-K29 PolarHBondContact OG-N 2.89Å; K29-A64 CarbonylContact C-O 3.6Å; K29-A64 WeakPolarHBondContact CA-O 3.45Å; K29-A64 HydrophobicContact CB-CB 4.4Å; K29-A64 HydrophobicContact CD-CB 4.31Å; K29-A64 HydrophobicContact CG-CB 3.94Å
30F90.1Very high87.4Confident14 Ų1456.3 Ų56.36%0.06131%0.307CS..EExtended strand (participates in β ladder)trans-119.2137.7177.8-64.3-79.2000110.7M1 I5 I19 V20 D21 G27 V32 V62 A64 L65 T66M1-F30 HydrophobicContact CB-CZ 4.24Å; M1-F30 HydrophobicContact CG-CE2 3.99Å; M1-F30 HydrophobicContact CG-CZ 4.12Å; I5-F30 HydrophobicContact CD1-CD2 4.38Å; I5-F30 HydrophobicContact CD1-CG 4.46Å; I19-F30 HydrophobicContact CG2-CD1 4.37Å; V20-F30 CarbonylContact O-C 3.59Å; V20-F30 WeakPolarHBondContact O-CA 3.3Å; D21-F30 HydrophobicContact CB-CD1 4.03Å; D21-F30 HydrophobicContact CB-CE1 3.89Å; D21-F30 WeakPolarHBondContact OD2-CE1 3.47Å; G27-F30 WeakPolarHBondContact O-CE2 3.43Å; F30-V32 HydrophobicContact CB-CG2 4.47Å; F30-V62 HydrophobicContact CD2-CB 4.43Å; F30-V62 HydrophobicContact CD2-CG1 3.83Å; F30-V62 HydrophobicContact CD2-CG2 3.64Å; F30-V62 HydrophobicContact CE2-CG2 3.75Å; F30-A64 PolarHBondContact N-O 3.48Å; F30-L65 HydrophobicContact CB-CD1 3.75Å; F30-L65 WeakPolarHBondContact O-CA 3.21Å; F30-T66 PolarHBondContact O-N 3.06Å
31D91.3Very high87.5Confident17 Ų1757.6 Ų57.69%0.09133%0.332CS..EExtended strand (participates in β ladder)trans-106.7115168.3-156.2-100.5000107.2I19 V20 F22 T66 K68I19-D31 WeakPolarHBondContact CA-O 3.41Å; V20-D31 HydrophobicContact CB-CB 4.45Å; V20-D31 PolarHBondContact N-O 3.5Å; V20-D31 PolarHBondContact O-N 3.2Å; F22-D31 HydrophobicContact CD2-CB 3.41Å; F22-D31 VanDerWaalsContact CD2-CB 3.41Å; F22-D31 HydrophobicContact CE2-CB 3.35Å; D31-T66 CarbonylContact C-O 3.59Å; D31-T66 WeakPolarHBondContact CA-O 3.17Å; D31-T66 WeakPolarHBondContact OD2-CB 3.11Å; D31-T66 WeakPolarHBondContact OD2-CG2 3.31Å; D31-K68 IonicContact OD1-NZ 2.74Å; D31-K68 PolarHBondContact OD1-NZ 2.84Å; D31-K68 IonicContact OD2-NZ 3.47Å; D31-K68 PolarHBondContact OD2-NZ 2.99Å
32V91.9Very high87.6Confident0 Ų058.2 Ų58.20%033%0.332CS..EExtended strand (participates in β ladder)trans-114.8113.8-176.3173.60000107.5I5 L9 E18 I19 F30 L65 T66 L67 K68I5-V32 HydrophobicContact CG2-CG1 4.43Å; I5-V32 HydrophobicContact CG2-CG2 3.89Å; L9-V32 HydrophobicContact CD1-CG1 3.33Å; E18-V32 CarbonylContact O-C 3.29Å; E18-V32 WeakPolarHBondContact O-CA 3.42Å; I19-V32 HydrophobicContact CG1-CG1 4.42Å; I19-V32 HydrophobicContact CG1-CG2 4.27Å; I19-V32 HydrophobicContact CG2-CG2 4.11Å; F30-V32 HydrophobicContact CB-CG2 4.47Å; V32-L65 HydrophobicContact CG2-CD1 3.72Å; V32-T66 PolarHBondContact N-O 2.98Å; V32-L67 HydrophobicContact CB-CD2 3.71Å; V32-L67 HydrophobicContact CG1-CD2 4.04Å; V32-L67 HydrophobicContact CG2-CD2 4.33Å; V32-L67 CarbonylContact O-C 3.52Å; V32-L67 WeakPolarHBondContact O-CA 3.45Å; V32-K68 PolarHBondContact O-N 2.8Å
33K92.9Very high87.9Confident40 Ų4055.5 Ų55.517%0.17433%0.33CS..EExtended strand (participates in β ladder)trans-104.3124172.5179.7-166.3-67.9160.50108.7I17 E18 K68 W75I17-K33 CarbonylContact C-O 3.56Å; I17-K33 WeakPolarHBondContact CA-O 3.24Å; E18-K33 HydrophobicContact CB-CB 4.21Å; E18-K33 PolarHBondContact N-O 3.36Å; E18-K33 PolarHBondContact O-N 3.29Å; E18-K33 WeakPolarHBondContact OE1-CE 3.42Å; E18-K33 IonicContact OE1-NZ 2.72Å; E18-K33 PolarHBondContact OE1-NZ 3.12Å; K33-K68 WeakPolarHBondContact CA-O 3.18Å; K33-K68 HydrophobicContact CB-CB 3.98Å; K33-K68 HydrophobicContact CG-CB 3.99Å; K33-W75 HydrophobicContact CD-CH2 3.91Å; K33-W75 HydrophobicContact CD-CZ3 3.6Å
34V93.1Very high88.3Confident0 Ų059.8 Ų59.80%035%0.351CS..EExtended strand (participates in β ladder)trans-131.7126.1-178.657.10000109.1L9 P14 H16 F39 V51 K68 T69 L70L9-V34 HydrophobicContact CD2-CB 4.48Å; L9-V34 HydrophobicContact CD2-CG1 4.4Å; L9-V34 HydrophobicContact CD2-CG2 4.38Å; P14-V34 HydrophobicContact CB-CG2 3.57Å; P14-V34 HydrophobicContact CG-CG2 4.3Å; H16-V34 WeakPolarHBondContact O-CA 3.44Å; V34-F39 HydrophobicContact CB-CE2 4.22Å; V34-F39 HydrophobicContact CG1-CE2 3.6Å; V34-F39 HydrophobicContact CG1-CZ 3.73Å; V34-F39 HydrophobicContact CG2-CE2 3.91Å; V34-F39 HydrophobicContact CG2-CZ 4.23Å; V34-V51 HydrophobicContact CG1-CG2 4.36Å; V34-K68 PolarHBondContact N-O 3.43Å; V34-T69 HydrophobicContact CG1-CG2 3.79Å; V34-T69 WeakPolarHBondContact O-CA 3.44Å; V34-L70 PolarHBondContact O-N 2.92Å
35V93.3Very high89Confident0 Ų056 Ų560%033%0.334CS..EExtended strand (participates in β ladder)trans-107.8117.1174.6-173.50000107.3P14 L15 H16 L70 W75P14-V35 CarbonylContact C-O 3.58Å; P14-V35 VanDerWaalsContact C-O 3.29Å; P14-V35 WeakPolarHBondContact CA-O 3.31Å; P14-V35 WeakPolarHBondContact CB-O 3.17Å; L15-V35 HydrophobicContact CB-CG1 4.32Å; L15-V35 PolarHBondContact N-O 2.83Å; H16-V35 HydrophobicContact CB-CB 3.89Å; H16-V35 HydrophobicContact CB-CG2 3.83Å; H16-V35 PolarHBondContact N-O 2.97Å; H16-V35 PolarHBondContact O-N 3Å; V35-L70 VanDerWaalsContact CA-O 3.24Å; V35-L70 WeakPolarHBondContact CA-O 3.36Å; V35-L70 HydrophobicContact CG2-CB 4.28Å; V35-W75 HydrophobicContact CG1-CB 3.68Å; V35-W75 HydrophobicContact CG1-CG 4.03Å; V35-W75 HydrophobicContact CG2-CB 3.99Å; V35-W75 HydrophobicContact CG2-CD2 3.67Å; V35-W75 HydrophobicContact CG2-CE3 3.87Å; V35-W75 HydrophobicContact CG2-CG 3.75Å
36S93.4Very high89.9Confident2 Ų256.3 Ų56.31%0.01432%0.32CS..  trans-144.2146.5176.8-178.90000110.8L12 E38 F39 L70 P72L12-S36 PolarHBondContact O-OG 2.82Å; S36-E38 PolarHBondContact O-N 2.77Å; S36-E38 WeakPolarHBondContact OG-CB 3.44Å; S36-E38 PolarHBondContact OG-N 2.88Å; S36-E38 VanDerWaalsContact OG-N 3.15Å; S36-F39 PolarHBondContact O-N 2.94Å; S36-L70 PolarHBondContact N-O 2.8Å; S36-P72 WeakPolarHBondContact O-CD 3.03Å
37Q91.7Very high90.7Very high127 Ų12753 Ų5359%0.59329%0.294SS*.G310 helixtrans-60.7-25.1170.1-69.6-172.5-65.700111.5L15 F39 E40 P72L15-Q37 HydrophobicContact CD1-CG 4.39Å; Q37-F39 PolarHBondContact O-N 3.08Å; Q37-E40 WeakPolarHBondContact O-CB 3.48Å; Q37-E40 PolarHBondContact O-N 2.83Å; Q37-P72 HydrophobicContact CB-CG 4.36Å; Q37-P72 HydrophobicContact CG-CG 3.54Å
38E89.9Confident91.3Very high96 Ų9654.3 Ų54.345%0.44929%0.293SS..G310 helixtrans-59.8-17.9175.3-75.3-56.9116.500114.1S36 K42S36-E38 PolarHBondContact O-N 2.77Å; S36-E38 WeakPolarHBondContact OG-CB 3.44Å; S36-E38 PolarHBondContact OG-N 2.88Å; S36-E38 VanDerWaalsContact OG-N 3.15Å; E38-K42 WeakPolarHBondContact O-CD 3.42Å; E38-K42 WeakPolarHBondContact O-CE 3.43Å; E38-K42 PolarHBondContact O-NZ 3.05Å; E38-K42 IonicContact OE2-NZ 3.32Å; E38-K42 PolarHBondContact OE2-NZ 3.42Å
39F92.2Very high91.7Very high0 Ų058.1 Ų58.10%030%0.303CS..G310 helixtrans-92-9.7177.6-56.4-37.8000113.2L12 V34 S36 Q37 G41 K42 R47 V51 T69 L70L12-F39 HydrophobicContact CD1-CE1 4.31Å; L12-F39 HydrophobicContact CD1-CZ 4.04Å; V34-F39 HydrophobicContact CB-CE2 4.22Å; V34-F39 HydrophobicContact CG1-CE2 3.6Å; V34-F39 HydrophobicContact CG1-CZ 3.73Å; V34-F39 HydrophobicContact CG2-CE2 3.91Å; V34-F39 HydrophobicContact CG2-CZ 4.23Å; S36-F39 PolarHBondContact O-N 2.94Å; Q37-F39 PolarHBondContact O-N 3.08Å; F39-G41 PolarHBondContact O-N 2.74Å; F39-K42 PolarHBondContact O-N 3.47Å; F39-R47 HydrophobicContact CB-CG 3.87Å; F39-R47 HydrophobicContact CD1-CB 3.79Å; F39-R47 HydrophobicContact CD1-CG 3.64Å; F39-R47 HydrophobicContact CE1-CB 4.2Å; F39-R47 HydrophobicContact CG-CB 4.38Å; F39-R47 HydrophobicContact CG-CG 3.97Å; F39-R47 VanDerWaalsContact O-CZ 3.23Å; F39-R47 PolarHBondContact O-NE 3.38Å; F39-R47 VanDerWaalsContact O-NE 3.08Å; F39-R47 PolarHBondContact O-NH2 2.76Å; F39-V51 HydrophobicContact CE1-CG2 4.1Å; F39-V51 HydrophobicContact CZ-CG2 3.9Å; F39-T69 HydrophobicContact CE1-CG2 4.14Å; F39-T69 HydrophobicContact CE2-CG2 4.12Å; F39-T69 HydrophobicContact CZ-CG2 3.84Å; F39-L70 WeakPolarHBondContact CD2-O 3.43Å
40E90.6Very high91.8Very high92 Ų9254.8 Ų54.843%0.4329%0.29SS..THydrogen-bonded Turntrans-63.9133.4177.6-160.6149.184.500110.2Q37 K42 A71 S73Q37-E40 WeakPolarHBondContact O-CB 3.48Å; Q37-E40 PolarHBondContact O-N 2.83Å; E40-K42 PolarHBondContact O-N 2.68Å; E40-A71 HydrophobicContact CB-CB 4.33Å; E40-S73 PolarHBondContact OE2-OG 2.8Å
41G91.5Very high91.8Very high84 Ų8454.1 Ų54.187%0.86629%0.287SS*.THydrogen-bonded Turntrans70.6-12.4-174.700000116.5F39F39-G41 PolarHBondContact O-N 2.74Å
42K91.8Very high91.8Very high71 Ų7156.5 Ų56.531%0.30930%0.298SS..  trans-86.5144.2177-63.3-174.6-171.9146.90111.6E38 F39 E40 D46 R47 I50E38-K42 WeakPolarHBondContact O-CD 3.42Å; E38-K42 WeakPolarHBondContact O-CE 3.43Å; E38-K42 PolarHBondContact O-NZ 3.05Å; E38-K42 IonicContact OE2-NZ 3.32Å; E38-K42 PolarHBondContact OE2-NZ 3.42Å; F39-K42 PolarHBondContact O-N 3.47Å; E40-K42 PolarHBondContact O-N 2.68Å; K42-D46 HydrophobicContact CB-CB 4.3Å; K42-R47 HydrophobicContact CB-CG 3.98Å; K42-R47 VanDerWaalsContact O-CZ 3.24Å; K42-R47 PolarHBondContact O-NE 3.35Å; K42-R47 PolarHBondContact O-NH2 3.31Å; K42-I50 HydrophobicContact CD-CD1 3.58Å
43S92.8Very high91.7Very high76 Ų7665.4 Ų65.453%0.53133%0.331SS..  trans-67.8155.1172-66.50000111.8V45 D46 R47S43-V45 PolarHBondContact O-N 3.19Å; S43-D46 PolarHBondContact O-N 3.09Å; S43-D46 VanDerWaalsContact O-N 3.08Å; S43-R47 VanDerWaalsContact O-CG 3.31Å; S43-R47 WeakPolarHBondContact O-CG 2.94Å; S43-R47 PolarHBondContact O-N 3.35Å
44L90.5Very high91.7Very high105 Ų10566 Ų6655%0.5534%0.336SS..Hα-helixtrans-50.4-44.1176.8-172.880.2000112.1D46 R47 H48L44-D46 PolarHBondContact O-N 2.89Å; L44-R47 PolarHBondContact O-N 2.91Å; L44-H48 PolarHBondContact O-CD2 3.49Å; L44-H48 PolarHBondContact O-N 3.06Å
45V92.4Very high91.5Very high87 Ų8766 Ų6653%0.52734%0.336SS..Hα-helixtrans-61.3-44.9179.4177.30000111.9S43 H48 R49S43-V45 PolarHBondContact O-N 3.19Å; V45-H48 PolarHBondContact O-N 3.04Å; V45-R49 VanDerWaalsContact O-CG 3.32Å; V45-R49 WeakPolarHBondContact O-CG 3.35Å; V45-R49 PolarHBondContact O-N 2.87Å
46D92.5Very high91.3Very high73 Ų7371.4 Ų71.439%0.3936%0.361SS..Hα-helixtrans-64.5-41.3177.9-75.4-79.9000112K42 S43 L44 H48 R49 I50K42-D46 HydrophobicContact CB-CB 4.3Å; S43-D46 PolarHBondContact O-N 3.09Å; S43-D46 VanDerWaalsContact O-N 3.08Å; L44-D46 PolarHBondContact O-N 2.89Å; D46-H48 VanDerWaalsContact C-N 3.35Å; D46-H48 PolarHBondContact O-N 3.4Å; D46-R49 WeakPolarHBondContact O-CB 3.35Å; D46-R49 PolarHBondContact O-N 3.49Å; D46-I50 VanDerWaalsContact O-CG1 3.3Å; D46-I50 WeakPolarHBondContact O-CG1 3.37Å; D46-I50 PolarHBondContact O-N 2.94Å
47R92.7Very high91.1Very high21 Ų2177.5 Ų77.58%0.07939%0.39CS..Hα-helixtrans-61.6-45.5175.8-57.7167.2-170.1-167.4-0.1111.2F39 K42 S43 L44 R49 I50 V51 T69F39-R47 HydrophobicContact CB-CG 3.87Å; F39-R47 HydrophobicContact CD1-CB 3.79Å; F39-R47 HydrophobicContact CD1-CG 3.64Å; F39-R47 HydrophobicContact CE1-CB 4.2Å; F39-R47 HydrophobicContact CG-CB 4.38Å; F39-R47 HydrophobicContact CG-CG 3.97Å; F39-R47 VanDerWaalsContact O-CZ 3.23Å; F39-R47 PolarHBondContact O-NE 3.38Å; F39-R47 VanDerWaalsContact O-NE 3.08Å; F39-R47 PolarHBondContact O-NH2 2.76Å; K42-R47 HydrophobicContact CB-CG 3.98Å; K42-R47 VanDerWaalsContact O-CZ 3.24Å; K42-R47 PolarHBondContact O-NE 3.35Å; K42-R47 PolarHBondContact O-NH2 3.31Å; S43-R47 VanDerWaalsContact O-CG 3.31Å; S43-R47 WeakPolarHBondContact O-CG 2.94Å; S43-R47 PolarHBondContact O-N 3.35Å; L44-R47 PolarHBondContact O-N 2.91Å; R47-R49 VanDerWaalsContact C-N 3.34Å; R47-R49 PolarHBondContact O-N 3.36Å; R47-I50 PolarHBondContact O-N 3.32Å; R47-V51 WeakPolarHBondContact O-CG2 3.13Å; R47-V51 PolarHBondContact O-N 3.06Å; R47-T69 HydrophobicContact CB-CG2 3.96Å; R47-T69 WeakPolarHBondContact CB-OG1 3.35Å; R47-T69 WeakPolarHBondContact CD-OG1 3.5Å; R47-T69 PolarHBondContact NH1-O 2.96Å
48H90.8Very high90.8Very high53 Ų5372.1 Ų72.125%0.24537%0.365CS..Hα-helixtrans-62.2-43.1176.2-73.6-156.9000110.7L44 V45 D46 I50 V51 H52 L67 T69L44-H48 PolarHBondContact O-CD2 3.49Å; L44-H48 PolarHBondContact O-N 3.06Å; V45-H48 PolarHBondContact O-N 3.04Å; D46-H48 VanDerWaalsContact C-N 3.35Å; D46-H48 PolarHBondContact O-N 3.4Å; H48-I50 VanDerWaalsContact C-N 3.34Å; H48-I50 PolarHBondContact O-N 3.28Å; H48-V51 PolarHBondContact O-N 3.08Å; H48-H52 VanDerWaalsContact O-CB 3.24Å; H48-H52 WeakPolarHBondContact O-CB 3.2Å; H48-H52 PolarHBondContact O-CD2 2.95Å; H48-H52 PolarHBondContact O-N 3.5Å; H48-L67 PolarHBondContact NE2-O 3.25Å; H48-T69 PolarHBondContact CD2-OG1 3.18Å
49R91.8Very high90.5Very high148 Ų14870.5 Ų70.556%0.55836%0.358SS*.Hα-helixtrans-58.6-43.5175.5-76.2173.1174.3-175.2-1.8112.4V45 D46 R47 R53V45-R49 VanDerWaalsContact O-CG 3.32Å; V45-R49 WeakPolarHBondContact O-CG 3.35Å; V45-R49 PolarHBondContact O-N 2.87Å; D46-R49 WeakPolarHBondContact O-CB 3.35Å; D46-R49 PolarHBondContact O-N 3.49Å; R47-R49 VanDerWaalsContact C-N 3.34Å; R47-R49 PolarHBondContact O-N 3.36Å; R49-R53 WeakPolarHBondContact O-CB 3.24Å; R49-R53 WeakPolarHBondContact O-CG 3.5Å; R49-R53 PolarHBondContact O-N 3.43Å
50I90.2Very high90.2Very high44 Ų4478.2 Ų78.223%0.22639%0.391CS..Hα-helixtrans-60.6-50.8178-68.6162.1000110.2L12 K42 D46 R47 H48 R53 L54L12-I50 HydrophobicContact CD1-CG2 4.3Å; L12-I50 HydrophobicContact CD2-CG2 4.02Å; K42-I50 HydrophobicContact CD-CD1 3.58Å; D46-I50 VanDerWaalsContact O-CG1 3.3Å; D46-I50 WeakPolarHBondContact O-CG1 3.37Å; D46-I50 PolarHBondContact O-N 2.94Å; R47-I50 PolarHBondContact O-N 3.32Å; H48-I50 VanDerWaalsContact C-N 3.34Å; H48-I50 PolarHBondContact O-N 3.28Å; I50-R53 PolarHBondContact O-N 3.2Å; I50-L54 HydrophobicContact CG2-CD1 4.4Å; I50-L54 WeakPolarHBondContact O-CG 3.42Å; I50-L54 PolarHBondContact O-N 3.19Å; I50-L54 VanDerWaalsContact O-N 3.09Å
51V91.2Very high89.9Confident0 Ų077.6 Ų77.60%040%0.397CS..Hα-helixtrans-69.8-40.7-177.7177.90000111.8L9 L12 V34 F39 R47 H48 R53 L54 L55 L67 T69L9-V51 HydrophobicContact CD2-CG1 3.77Å; L9-V51 HydrophobicContact CD2-CG2 4.31Å; L12-V51 HydrophobicContact CD1-CG2 4.19Å; V34-V51 HydrophobicContact CG1-CG2 4.36Å; F39-V51 HydrophobicContact CE1-CG2 4.1Å; F39-V51 HydrophobicContact CZ-CG2 3.9Å; R47-V51 WeakPolarHBondContact O-CG2 3.13Å; R47-V51 PolarHBondContact O-N 3.06Å; H48-V51 PolarHBondContact O-N 3.08Å; V51-R53 VanDerWaalsContact C-N 3.28Å; V51-R53 PolarHBondContact O-N 3.5Å; V51-L54 PolarHBondContact O-N 2.79Å; V51-L55 HydrophobicContact CG1-CD1 3.69Å; V51-L55 HydrophobicContact CG1-CG 4.2Å; V51-L55 WeakPolarHBondContact O-CB 3.43Å; V51-L55 WeakPolarHBondContact O-CG 3.36Å; V51-L55 PolarHBondContact O-N 2.8Å; V51-L67 HydrophobicContact CB-CD1 3.71Å; V51-L67 HydrophobicContact CG1-CD1 3.45Å; V51-L67 VanDerWaalsContact CG1-CD1 3.45Å; V51-L67 HydrophobicContact CG1-CD2 3.69Å; V51-L67 HydrophobicContact CG1-CG 4.19Å; V51-T69 HydrophobicContact CG2-CG2 3.78Å
52H90Very high89.5Confident68 Ų6874.2 Ų74.232%0.31536%0.36SS..Hα-helixtrans-58.4-41.3173.8-83.2-130.7000111.4H48 L55 E56 M59 L67H48-H52 VanDerWaalsContact O-CB 3.24Å; H48-H52 WeakPolarHBondContact O-CB 3.2Å; H48-H52 PolarHBondContact O-CD2 2.95Å; H48-H52 PolarHBondContact O-N 3.5Å; H52-L55 CarbonylContact O-C 3.37Å; H52-L55 PolarHBondContact O-N 2.78Å; H52-E56 VanDerWaalsContact O-CA 3.26Å; H52-E56 WeakPolarHBondContact O-CA 3.26Å; H52-E56 PolarHBondContact O-N 2.72Å; H52-M59 HydrophobicContact CB-SD 3.95Å; H52-M59 VanDerWaalsContact CE1-CE 3.43Å; H52-M59 WeakPolarHBondContact CE1-CE 3.41Å; H52-M59 VanDerWaalsContact CG-SD 3.56Å; H52-M59 WeakPolarHBondContact ND1-CE 3.3Å; H52-M59 PolarHBondContact ND1-SD 3.1Å; H52-L67 WeakPolarHBondContact CD2-CD1 3.46Å
53R91.4Very high89.1Confident186 Ų18678.2 Ų78.270%0.70238%0.379SS*.Hα-helixtrans-64.7-41176.8-77.7173.5178.6-177.6-0.1112.1R49 I50 V51 L55 E56R49-R53 WeakPolarHBondContact O-CB 3.24Å; R49-R53 WeakPolarHBondContact O-CG 3.5Å; R49-R53 PolarHBondContact O-N 3.43Å; I50-R53 PolarHBondContact O-N 3.2Å; V51-R53 VanDerWaalsContact C-N 3.28Å; V51-R53 PolarHBondContact O-N 3.5Å; R53-L55 VanDerWaalsContact C-N 3.34Å; R53-E56 WeakPolarHBondContact O-CB 3.49Å
54L90.9Very high88.8Confident52 Ų5276.4 Ų76.427%0.27237%0.369SS..Hα-helixtrans-62.5-45.8175-70.9169.6000110.8K8 L12 I50 V51 E56K8-L54 WeakPolarHBondContact CD-O 3.32Å; K8-L54 PolarHBondContact NZ-O 3.32Å; L12-L54 HydrophobicContact CD1-CD1 3.48Å; L12-L54 VanDerWaalsContact CD1-CD1 3.48Å; L12-L54 HydrophobicContact CD2-CD1 3.83Å; L12-L54 HydrophobicContact CG-CD1 3.54Å; I50-L54 HydrophobicContact CG2-CD1 4.4Å; I50-L54 WeakPolarHBondContact O-CG 3.42Å; I50-L54 PolarHBondContact O-N 3.19Å; I50-L54 VanDerWaalsContact O-N 3.09Å; V51-L54 PolarHBondContact O-N 2.79Å; L54-E56 VanDerWaalsContact C-N 3.31Å; L54-E56 PolarHBondContact O-N 2.85Å
55L90.3Very high88.7Confident0 Ų072.8 Ų72.80%035%0.35CS..THydrogen-bonded Turntrans-90.716.8-176.1-55.6-179.8000113.3I5 K8 V51 H52 R53 E57 E58 M59 L65 L67I5-L55 HydrophobicContact CB-CD2 4.15Å; I5-L55 HydrophobicContact CG1-CD2 4.17Å; I5-L55 HydrophobicContact CG2-CD1 3.89Å; I5-L55 HydrophobicContact CG2-CD2 3.93Å; K8-L55 HydrophobicContact CB-CD2 3.91Å; K8-L55 HydrophobicContact CD-CD2 4.27Å; V51-L55 HydrophobicContact CG1-CD1 3.69Å; V51-L55 HydrophobicContact CG1-CG 4.2Å; V51-L55 WeakPolarHBondContact O-CB 3.43Å; V51-L55 WeakPolarHBondContact O-CG 3.36Å; V51-L55 PolarHBondContact O-N 2.8Å; H52-L55 CarbonylContact O-C 3.37Å; H52-L55 PolarHBondContact O-N 2.78Å; R53-L55 VanDerWaalsContact C-N 3.34Å; L55-E57 VanDerWaalsContact C-N 3.25Å; L55-E57 PolarHBondContact O-N 3.48Å; L55-E58 PolarHBondContact O-N 3.17Å; L55-E58 VanDerWaalsContact O-N 3.12Å; L55-M59 HydrophobicContact CB-CG 4.37Å; L55-M59 WeakPolarHBondContact O-CB 3.43Å; L55-M59 VanDerWaalsContact O-CG 3.3Å; L55-M59 WeakPolarHBondContact O-CG 3.46Å; L55-M59 PolarHBondContact O-N 2.8Å; L55-L65 HydrophobicContact CD1-CD2 3.83Å; L55-L67 HydrophobicContact CD1-CD2 4.32Å
56E89Confident88.6Confident114 Ų11472 Ų7253%0.53335%0.345SS..Hα-helixtrans-59.6-37.8-170.5-175.7-179.993.200112.1H52 R53 L54H52-E56 VanDerWaalsContact O-CA 3.26Å; H52-E56 WeakPolarHBondContact O-CA 3.26Å; H52-E56 PolarHBondContact O-N 2.72Å; R53-E56 WeakPolarHBondContact O-CB 3.49Å; L54-E56 VanDerWaalsContact C-N 3.31Å; L54-E56 PolarHBondContact O-N 2.85Å
57E88.5Confident88.5Confident130 Ų13069 Ų6961%0.60733%0.33SS*.Hα-helixtrans-68.9-44.9178-57.5175.597.600111.1K8 L55 M59 K60K8-E57 IonicContact NZ-OE2 3.48Å; K8-E57 PolarHBondContact NZ-OE2 3.22Å; L55-E57 VanDerWaalsContact C-N 3.25Å; L55-E57 PolarHBondContact O-N 3.48Å; E57-M59 VanDerWaalsContact C-N 3.34Å; E57-M59 PolarHBondContact O-N 2.97Å; E57-K60 WeakPolarHBondContact O-CB 3.43Å; E57-K60 PolarHBondContact O-N 3.12Å
58E86.2Confident88.5Confident15 Ų1572.3 Ų72.37%0.0734%0.344CS..Hα-helixtrans-66.8-36.4178.9-68.491.2116.200111.9M1 Q4 I5 K8 L55 K60 S61 V62M1-E58 HydrophobicContact CE-CB 3.67Å; M1-E58 HydrophobicContact CE-CG 3.99Å; M1-E58 WeakPolarHBondContact CE-O 3.32Å; M1-E58 HydrophobicContact SD-CB 4.48Å; M1-E58 HydrophobicContact SD-CG 4.18Å; Q4-E58 HydrophobicContact CB-CG 4.43Å; I5-E58 HydrophobicContact CG1-CB 4.36Å; I5-E58 HydrophobicContact CG1-CG 4.2Å; K8-E58 WeakPolarHBondContact CD-OE1 3.37Å; K8-E58 WeakPolarHBondContact CE-OE1 3.2Å; K8-E58 WeakPolarHBondContact CE-OE2 3.2Å; K8-E58 IonicContact NZ-OE1 2.8Å; K8-E58 PolarHBondContact NZ-OE1 2.79Å; K8-E58 IonicContact NZ-OE2 2.68Å; K8-E58 PolarHBondContact NZ-OE2 3.29Å; L55-E58 PolarHBondContact O-N 3.17Å; L55-E58 VanDerWaalsContact O-N 3.12Å; E58-K60 PolarHBondContact O-N 3.3Å; E58-K60 VanDerWaalsContact O-N 3.17Å; E58-S61 PolarHBondContact O-N 3.17Å; E58-V62 WeakPolarHBondContact O-CG2 3.35Å; E58-V62 PolarHBondContact O-N 3.48Å; E58-V62 VanDerWaalsContact O-N 3.1Å
59M83.1Confident88.5Confident61 Ų6169.9 Ų69.930%0.333%0.333SS..Hα-helixtrans-61.1-20.8175.2-77.6-162.779.500112.8H52 L55 E57 S61 L65H52-M59 HydrophobicContact CB-SD 3.95Å; H52-M59 VanDerWaalsContact CE1-CE 3.43Å; H52-M59 WeakPolarHBondContact CE1-CE 3.41Å; H52-M59 VanDerWaalsContact CG-SD 3.56Å; H52-M59 WeakPolarHBondContact ND1-CE 3.3Å; H52-M59 PolarHBondContact ND1-SD 3.1Å; L55-M59 HydrophobicContact CB-CG 4.37Å; L55-M59 WeakPolarHBondContact O-CB 3.43Å; L55-M59 VanDerWaalsContact O-CG 3.3Å; L55-M59 WeakPolarHBondContact O-CG 3.46Å; L55-M59 PolarHBondContact O-N 2.8Å; E57-M59 VanDerWaalsContact C-N 3.34Å; E57-M59 PolarHBondContact O-N 2.97Å; M59-S61 VanDerWaalsContact C-N 3.26Å; M59-S61 PolarHBondContact O-N 3.29Å; M59-L65 HydrophobicContact CG-CD2 3.83Å; M59-L65 HydrophobicContact SD-CD2 4.27Å
60K85.3Confident88.6Confident162 Ų16264.3 Ų64.370%0.70432%0.315SS*.THydrogen-bonded Turntrans-70.6-23.7173.4-64.8173.1-176.2172.20112.7E57 E58E57-K60 WeakPolarHBondContact O-CB 3.43Å; E57-K60 PolarHBondContact O-N 3.12Å; E58-K60 PolarHBondContact O-N 3.3Å; E58-K60 VanDerWaalsContact O-N 3.17Å
61S84.7Confident88.6Confident79 Ų7962.4 Ų62.455%0.55231%0.305SS*.THydrogen-bonded Turntrans-102.3-20.6-180-55.20000113.1E58 M59E58-S61 PolarHBondContact O-N 3.17Å; M59-S61 VanDerWaalsContact C-N 3.26Å; M59-S61 PolarHBondContact O-N 3.29Å
62V83.9Confident88.6Confident13 Ų1363.7 Ų63.78%0.07931%0.313CS..  trans-93.7125.6-179.6178.40000110.2M1 L28 F30 E58 A64 L65M1-V62 HydrophobicContact CE-CG2 3.67Å; L28-V62 WeakPolarHBondContact O-CG1 3.19Å; F30-V62 HydrophobicContact CD2-CB 4.43Å; F30-V62 HydrophobicContact CD2-CG1 3.83Å; F30-V62 HydrophobicContact CD2-CG2 3.64Å; F30-V62 HydrophobicContact CE2-CG2 3.75Å; E58-V62 WeakPolarHBondContact O-CG2 3.35Å; E58-V62 PolarHBondContact O-N 3.48Å; E58-V62 VanDerWaalsContact O-N 3.1Å; V62-A64 WeakPolarHBondContact CG1-O 3.39Å; V62-L65 HydrophobicContact CG1-CB 4.1Å
63H83.6Confident88.5Confident155 Ų15563.9 Ų63.972%0.71832%0.323SS*.SBendtrans-75.9-36.1179.5-76.563000112.8L28L28-H63 HydrophobicContact CB-CB 4.39Å; L28-H63 PolarHBondContact O-N 2.76Å
64A86.3Confident88.4Confident39 Ų3958.7 Ų58.732%0.32231%0.306SS..EExtended strand (participates in β ladder)trans-138.3124175.200000110.8L28 K29 F30 V62L28-A64 PolarHBondContact O-N 3.39Å; K29-A64 CarbonylContact C-O 3.6Å; K29-A64 WeakPolarHBondContact CA-O 3.45Å; K29-A64 HydrophobicContact CB-CB 4.4Å; K29-A64 HydrophobicContact CD-CB 4.31Å; K29-A64 HydrophobicContact CG-CB 3.94Å; F30-A64 PolarHBondContact N-O 3.48Å; V62-A64 WeakPolarHBondContact CG1-O 3.39Å
65L88.2Confident88.3Confident28 Ų2860.3 Ų60.315%0.14731%0.309CS..EExtended strand (participates in β ladder)trans-121.8115.3175.4-177.568.1000108F30 V32 L55 M59 V62 L67F30-L65 HydrophobicContact CB-CD1 3.75Å; F30-L65 WeakPolarHBondContact O-CA 3.21Å; V32-L65 HydrophobicContact CG2-CD1 3.72Å; L55-L65 HydrophobicContact CD1-CD2 3.83Å; M59-L65 HydrophobicContact CG-CD2 3.83Å; M59-L65 HydrophobicContact SD-CD2 4.27Å; V62-L65 HydrophobicContact CG1-CB 4.1Å; L65-L67 HydrophobicContact CD1-CD2 4.26Å; L65-L67 HydrophobicContact CD2-CD2 3.84Å; L65-L67 HydrophobicContact CD2-CG 4.29Å; L65-L67 HydrophobicContact CG-CD2 3.81Å; L65-L67 HydrophobicContact CG-CG 4.2Å
66T90.1Very high88Confident70 Ų7064.5 Ų64.543%0.42934%0.338SS..EExtended strand (participates in β ladder)trans-95.5122.6173.3-57.10000108.4F30 D31 V32F30-T66 PolarHBondContact O-N 3.06Å; D31-T66 CarbonylContact C-O 3.59Å; D31-T66 WeakPolarHBondContact CA-O 3.17Å; D31-T66 WeakPolarHBondContact OD2-CB 3.11Å; D31-T66 WeakPolarHBondContact OD2-CG2 3.31Å; V32-T66 PolarHBondContact N-O 2.98Å
67L90.5Very high87.4Confident12 Ų1265.8 Ų65.86%0.06335%0.348CS..EExtended strand (participates in β ladder)trans-108130.8177.2-60.5179.2000110.4V32 H48 V51 H52 L55 L65V32-L67 HydrophobicContact CB-CD2 3.71Å; V32-L67 HydrophobicContact CG1-CD2 4.04Å; V32-L67 HydrophobicContact CG2-CD2 4.33Å; V32-L67 CarbonylContact O-C 3.52Å; V32-L67 WeakPolarHBondContact O-CA 3.45Å; H48-L67 PolarHBondContact NE2-O 3.25Å; V51-L67 HydrophobicContact CB-CD1 3.71Å; V51-L67 HydrophobicContact CG1-CD1 3.45Å; V51-L67 VanDerWaalsContact CG1-CD1 3.45Å; V51-L67 HydrophobicContact CG1-CD2 3.69Å; V51-L67 HydrophobicContact CG1-CG 4.19Å; H52-L67 WeakPolarHBondContact CD2-CD1 3.46Å; L55-L67 HydrophobicContact CD1-CD2 4.32Å; L65-L67 HydrophobicContact CD1-CD2 4.26Å; L65-L67 HydrophobicContact CD2-CD2 3.84Å; L65-L67 HydrophobicContact CD2-CG 4.29Å; L65-L67 HydrophobicContact CG-CD2 3.81Å; L65-L67 HydrophobicContact CG-CG 4.2Å
68K92Very high86.4Confident89 Ų8967.5 Ų67.539%0.38735%0.354SS..EExtended strand (participates in β ladder)trans-116.688.2172-73.6170.4-178.2146.40108.5D31 V32 K33 V34D31-K68 IonicContact OD1-NZ 2.74Å; D31-K68 PolarHBondContact OD1-NZ 2.84Å; D31-K68 IonicContact OD2-NZ 3.47Å; D31-K68 PolarHBondContact OD2-NZ 2.99Å; V32-K68 PolarHBondContact O-N 2.8Å; K33-K68 WeakPolarHBondContact CA-O 3.18Å; K33-K68 HydrophobicContact CB-CB 3.98Å; K33-K68 HydrophobicContact CG-CB 3.99Å; V34-K68 PolarHBondContact N-O 3.43Å
69T92.4Very high85.2Confident2 Ų271.5 Ų71.51%0.01238%0.383CS..EExtended strand (participates in β ladder)trans-91.5103.417955.60000110.8V34 F39 R47 H48 V51V34-T69 HydrophobicContact CG1-CG2 3.79Å; V34-T69 WeakPolarHBondContact O-CA 3.44Å; F39-T69 HydrophobicContact CE1-CG2 4.14Å; F39-T69 HydrophobicContact CE2-CG2 4.12Å; F39-T69 HydrophobicContact CZ-CG2 3.84Å; R47-T69 HydrophobicContact CB-CG2 3.96Å; R47-T69 WeakPolarHBondContact CB-OG1 3.35Å; R47-T69 WeakPolarHBondContact CD-OG1 3.5Å; R47-T69 PolarHBondContact NH1-O 2.96Å; H48-T69 PolarHBondContact CD2-OG1 3.18Å; V51-T69 HydrophobicContact CG2-CG2 3.78Å
70L92.2Very high83.3Confident32 Ų3276.9 Ų76.917%0.16843%0.427CS..EExtended strand (participates in β ladder)trans-110.8136.7-176.9-62.2172.9000110.4V34 V35 S36 F39 Q74 W75V34-L70 PolarHBondContact O-N 2.92Å; V35-L70 VanDerWaalsContact CA-O 3.24Å; V35-L70 WeakPolarHBondContact CA-O 3.36Å; V35-L70 HydrophobicContact CG2-CB 4.28Å; S36-L70 PolarHBondContact N-O 2.8Å; F39-L70 WeakPolarHBondContact CD2-O 3.43Å; L70-Q74 HydrophobicContact CD2-CB 4.4Å; L70-W75 HydrophobicContact CD1-CE3 3.69Å; L70-W75 HydrophobicContact CD1-CZ3 4.19Å
71A92Very high83.2Confident4 Ų472.7 Ų72.73%0.03341%0.413CS..  trans-72.4152165.900000109.5E40 S73 Q74 W75E40-A71 HydrophobicContact CB-CB 4.33Å; A71-S73 PolarHBondContact O-N 3.42Å; A71-Q74 HydrophobicContact CB-CG 4.34Å; A71-Q74 VanDerWaalsContact N-OE1 3.09Å; A71-Q74 WeakPolarHBondContact O-CA 3.44Å; A71-Q74 WeakPolarHBondContact O-CB 3.02Å; A71-Q74 PolarHBondContact O-N 3.19Å; A71-W75 PolarHBondContact O-N 2.67Å
72P89.6Confident83.1Confident26 Ų2672.3 Ų72.317%0.16941%0.406CS..Hα-helixtrans-47.9-43.5172.5-5.4-4.6000112.7L15 S36 Q37 Q74 W75 S76L15-P72 HydrophobicContact CD1-CB 3.49Å; L15-P72 VanDerWaalsContact CD1-CB 3.49Å; L15-P72 HydrophobicContact CD1-CG 3.56Å; S36-P72 WeakPolarHBondContact O-CD 3.03Å; Q37-P72 HydrophobicContact CB-CG 4.36Å; Q37-P72 HydrophobicContact CG-CG 3.54Å; P72-Q74 PolarHBondContact O-N 3.48Å; P72-W75 PolarHBondContact O-N 3.45Å; P72-W75 VanDerWaalsContact O-N 3.16Å; P72-S76 PolarHBondContact O-N 2.94Å
73S89.2Confident83.1Confident73 Ų7375.6 Ų75.651%0.5142%0.424SS..Hα-helixtrans-56-34175-61.90000113.3E40 A71 L77E40-S73 PolarHBondContact OE2-OG 2.8Å; A71-S73 PolarHBondContact O-N 3.42Å; S73-L77 WeakPolarHBondContact O-CD1 3.34Å; S73-L77 WeakPolarHBondContact O-CG 3.28Å
74Q88.5Confident83.1Confident77 Ų7770.9 Ų70.936%0.3641%0.407SS..Hα-helixtrans-85.3-33.7177.1-64.1176.3-58.300112.9L70 A71 P72 L77 K78L70-Q74 HydrophobicContact CD2-CB 4.4Å; A71-Q74 HydrophobicContact CB-CG 4.34Å; A71-Q74 VanDerWaalsContact N-OE1 3.09Å; A71-Q74 WeakPolarHBondContact O-CA 3.44Å; A71-Q74 WeakPolarHBondContact O-CB 3.02Å; A71-Q74 PolarHBondContact O-N 3.19Å; P72-Q74 PolarHBondContact O-N 3.48Å; Q74-L77 PolarHBondContact O-N 2.97Å; Q74-K78 PolarHBondContact O-N 2.89Å
75W89.1Confident82.9Confident85 Ų8572.9 Ų72.932%0.32241%0.412SS..Hα-helixtrans-64.1-43.4177.9179.9-112.8000111.3K33 V35 L70 A71 P72 L77 K78K33-W75 HydrophobicContact CD-CH2 3.91Å; K33-W75 HydrophobicContact CD-CZ3 3.6Å; V35-W75 HydrophobicContact CG1-CB 3.68Å; V35-W75 HydrophobicContact CG1-CG 4.03Å; V35-W75 HydrophobicContact CG2-CB 3.99Å; V35-W75 HydrophobicContact CG2-CD2 3.67Å; V35-W75 HydrophobicContact CG2-CE3 3.87Å; V35-W75 HydrophobicContact CG2-CG 3.75Å; L70-W75 HydrophobicContact CD1-CE3 3.69Å; L70-W75 HydrophobicContact CD1-CZ3 4.19Å; A71-W75 PolarHBondContact O-N 2.67Å; P72-W75 PolarHBondContact O-N 3.45Å; P72-W75 VanDerWaalsContact O-N 3.16Å; W75-L77 VanDerWaalsContact C-N 3.25Å; W75-L77 PolarHBondContact O-N 3.01Å; W75-K78 PolarHBondContact O-N 3.44Å; W75-K78 VanDerWaalsContact O-N 3.12Å
76S84Confident82.5Confident89 Ų8975.9 Ų75.962%0.62243%0.43SS*.Hα-helixtrans-60.2-35177.1-164.20000112.7P72 K78P72-S76 PolarHBondContact O-N 2.94Å; S76-K78 VanDerWaalsContact C-N 3.34Å
77L76.4Confident82Confident141 Ų14176.4 Ų76.474%0.73843%0.43SS*.Hα-helixtrans-74.7-22.3179-67.7170.9000113.5S73 Q74 W75S73-L77 WeakPolarHBondContact O-CD1 3.34Å; S73-L77 WeakPolarHBondContact O-CG 3.28Å; Q74-L77 PolarHBondContact O-N 2.97Å; W75-L77 VanDerWaalsContact C-N 3.25Å; W75-L77 PolarHBondContact O-N 3.01Å
78K66.9Low81.3Confident165 Ų16581.3 Ų81.372%0.71746%0.458SS*.THydrogen-bonded Turntrans-85.6-6.6-177.3-84.7-93.1-174.6177.20113.6Q74 W75 S76Q74-K78 PolarHBondContact O-N 2.89Å; W75-K78 PolarHBondContact O-N 3.44Å; W75-K78 VanDerWaalsContact O-N 3.12Å; S76-K78 VanDerWaalsContact C-N 3.34Å
79S60.8Low80.4Confident100 Ų10080.7 Ų80.770%0.69946%0.464SS*.THydrogen-bonded Turntrans-106.520.9-174.3-164.10000114.3
80S44.1Very low79.3Confident174 Ų17487.8 Ų87.8100%1.21751%0.505SS*.  trans-99.80171.7-67.90000112.7

Retrieved 80 of 80 residues in 38.1 ms (Link to these results)

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