A0A077YVW7_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YVW7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 101 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
1M41.7Very low75.5Confident208 Ų20898.1 Ų98.1100%1.02548%0.475SS*.  0116.30-165.1175.1-79.200106.6H3M1-H3 PolarHBondContact O-N 3.33Å; M1-H3 VanDerWaalsContact O-N 3.16Å
2R48.3Very low76.6Confident233 Ų23391.9 Ų91.988%0.87946%0.456SS*.  trans-72.3102.8178.5-86.8179.8171.6170.9-3.2107.3L4R2-L4 PolarHBondContact O-N 2.95Å
3H55.8Low77.3Confident104 Ų10492 Ų9248%0.48147%0.468SS..  trans-74.8104.7167.5-61.6-72.1000106.6M1 V5M1-H3 PolarHBondContact O-N 3.33Å; M1-H3 VanDerWaalsContact O-N 3.16Å; H3-V5 PolarHBondContact O-N 3.12Å
4L68.7Low78.1Confident93 Ų9399.3 Ų99.349%0.48749%0.489SS..  trans-71.5120.7178.8-61.9167.3000107.5R2 D23R2-L4 PolarHBondContact O-N 2.95Å; L4-D23 WeakPolarHBondContact CB-OD2 3.34Å
5V67.4Low79.1Confident87 Ų8795.7 Ų95.753%0.52748%0.477SS..EExtended strand (participates in β ladder)trans-71.2127.1168.7174.40000107.7H3 V8H3-V5 PolarHBondContact O-N 3.12Å; V5-V8 HydrophobicContact CG1-CG2 3.29Å
6K82.2Confident79.9Confident93 Ų9390.8 Ų90.840%0.40445%0.452SS..EExtended strand (participates in β ladder)trans-97.2-104.7-179.9-63.9-68.5-176.5176.30109.9G21 D23 V49K6-G21 PolarHBondContact N-O 2.91Å; K6-G21 VanDerWaalsContact N-O 3.09Å; K6-D23 VanDerWaalsContact CE-CG 3.4Å; K6-D23 WeakPolarHBondContact CE-OD1 2.86Å; K6-D23 WeakPolarHBondContact CE-OD2 3.46Å; K6-D23 IonicContact NZ-OD1 3.6Å; K6-D23 IonicContact NZ-OD2 3.66Å; K6-V49 WeakPolarHBondContact CB-O 3.15Å
7G88.7Confident80.7Confident16 Ų1685.5 Ų85.517%0.16543%0.426CS..EExtended strand (participates in β ladder)trans-65.8141.8173.400000111S20 G21 N50 L52G7-S20 VanDerWaalsContact O-CA 3.28Å; G7-S20 WeakPolarHBondContact O-CA 3.41Å; G7-G21 PolarHBondContact O-N 3.49Å; G7-N50 WeakPolarHBondContact CA-O 3.35Å; G7-N50 PolarHBondContact N-O 2.82Å; G7-L52 WeakPolarHBondContact O-CD1 3.49Å
8V94.6Very high81.4Confident85 Ų8582.4 Ų82.452%0.51541%0.412SS..EExtended strand (participates in β ladder)trans-138.7132.9173.4-176.80000107.9V5 V18 V19V5-V8 HydrophobicContact CG1-CG2 3.29Å; V8-V18 HydrophobicContact CG1-CG1 3.5Å; V8-V19 CarbonylContact C-O 3.56Å; V8-V19 VanDerWaalsContact CA-O 3.28Å; V8-V19 WeakPolarHBondContact CA-O 3.4Å
9N96Very high82.1Confident46 Ų4678.1 Ų78.125%0.24639%0.391CS..EExtended strand (participates in β ladder)trans-146.2160.1177.6-145.1-40.3000111.5V18 V19 L52 P54N9-V18 CarbonylContact O-C 3.55Å; N9-V18 WeakPolarHBondContact O-CA 3.08Å; N9-V19 HydrophobicContact CB-CG2 3.94Å; N9-V19 PolarHBondContact N-O 3.45Å; N9-V19 WeakPolarHBondContact O-CG2 3.49Å; N9-V19 PolarHBondContact O-N 2.83Å; N9-L52 PolarHBondContact ND2-O 3.2Å; N9-P54 HydrophobicContact CB-CG 3.97Å; N9-P54 WeakPolarHBondContact ND2-CD 3.48Å
10F94.9Very high82.8Confident109 Ų10974.4 Ų74.448%0.47837%0.372SS..EExtended strand (participates in β ladder)trans-81.1144.7170.4-70.9-72.5000110.1V18 K32 P54F10-V18 HydrophobicContact CD1-CG2 3.94Å; F10-V18 HydrophobicContact CE1-CG2 3.94Å; F10-K32 HydrophobicContact CE1-CD 4.36Å; F10-P54 WeakPolarHBondContact O-CG 3.37Å
11Y92.4Very high83.3Confident5 Ų570.8 Ų70.82%0.0236%0.355CS..EExtended strand (participates in β ladder)trans-135.2145.2179.4-177.1-84.7000110.7E16 F17 V19 F29 P54 S59 L61 M82Y11-E16 PolarHBondContact O-N 3.02Å; Y11-F17 HydrophobicContact CD1-CB 4.33Å; Y11-F17 HydrophobicContact CD1-CD2 4.18Å; Y11-F17 PolarHBondContact N-O 2.85Å; Y11-F17 PolarHBondContact O-N 3.3Å; Y11-V19 HydrophobicContact CD2-CG1 4.4Å; Y11-V19 HydrophobicContact CG-CG1 4.13Å; Y11-F29 HydrophobicContact CD1-CD1 4.36Å; Y11-F29 AromaticContact CD1-CE1 3.78Å; Y11-F29 HydrophobicContact CD1-CE1 3.78Å; Y11-F29 HydrophobicContact CD2-CE1 4.28Å; Y11-F29 AromaticContact CE1-CE1 3.95Å; Y11-F29 HydrophobicContact CE1-CE1 3.95Å; Y11-F29 HydrophobicContact CE2-CE1 4.44Å; Y11-F29 AromaticContact CG-CE1 3.97Å; Y11-F29 HydrophobicContact CG-CE1 3.97Å; Y11-P54 HydrophobicContact CD2-CB 4.04Å; Y11-S59 PolarHBondContact OH-O 2.93Å; Y11-L61 HydrophobicContact CE2-CB 4.13Å; Y11-M82 HydrophobicContact CE1-CE 4.42Å; Y11-M82 HydrophobicContact CE1-SD 4.06Å
12G88.6Confident85.6Confident24 Ų2461.1 Ų61.125%0.24731%0.307CS..SBendtrans97.1156.8-178.800000113.6Y14 S15 E16G12-Y14 PolarHBondContact O-N 3.5Å; G12-Y14 VanDerWaalsContact O-N 3.12Å; G12-S15 PolarHBondContact O-N 2.75Å; G12-E16 WeakPolarHBondContact CA-OE1 3.4Å
13P85.2Confident87.6Confident93 Ų9352.7 Ų52.760%0.60428%0.279SS*.THydrogen-bonded Turntrans-60.8-23.9-173.625.3-36.5000113.4E16 M82P13-E16 WeakPolarHBondContact CD-OE1 3.25Å; P13-M82 HydrophobicContact CG-CE 4.15Å
14Y89.7Confident89.1Confident194 Ų19449.6 Ų49.676%0.76127%0.269SS*.THydrogen-bonded Turntrans-115.716.6178.2-55.4-68.9000112.2G12 E16G12-Y14 PolarHBondContact O-N 3.5Å; G12-Y14 VanDerWaalsContact O-N 3.12Å; Y14-E16 WeakPolarHBondContact CA-OE2 3.47Å; Y14-E16 PolarHBondContact N-OE2 3.37Å; Y14-E16 PolarHBondContact O-N 2.88Å
15S91.9Very high90.1Very high45 Ų4545.2 Ų45.232%0.31525%0.247SC..  trans51.737.9-174.2-580000112G12 F17 K32G12-S15 PolarHBondContact O-N 2.75Å; S15-F17 PolarHBondContact O-N 2.77Å; S15-K32 WeakPolarHBondContact O-CD 3.44Å
16E92Very high91.3Very high17 Ų1743.3 Ų43.38%0.07923%0.232CC..  trans-74.5-16.3-178.469.6-78.7-178.800112.3Y11 G12 P13 Y14 K32Y11-E16 PolarHBondContact O-N 3.02Å; G12-E16 WeakPolarHBondContact CA-OE1 3.4Å; P13-E16 WeakPolarHBondContact CD-OE1 3.25Å; Y14-E16 WeakPolarHBondContact CA-OE2 3.47Å; Y14-E16 PolarHBondContact N-OE2 3.37Å; Y14-E16 PolarHBondContact O-N 2.88Å; E16-K32 VanDerWaalsContact O-CB 3.26Å; E16-K32 WeakPolarHBondContact O-CB 3.4Å; E16-K32 PolarHBondContact O-N 3Å
17F93.4Very high91.7Very high2 Ų238.9 Ų38.91%0.00921%0.213CC..EExtended strand (participates in β ladder)trans-117.1153.7173.5-54.7-71.2000112.2Y11 S15 W30 E31 V38 L87Y11-F17 HydrophobicContact CD1-CB 4.33Å; Y11-F17 HydrophobicContact CD1-CD2 4.18Å; Y11-F17 PolarHBondContact N-O 2.85Å; Y11-F17 PolarHBondContact O-N 3.3Å; S15-F17 PolarHBondContact O-N 2.77Å; F17-W30 CarbonylContact C-O 3.47Å; F17-W30 WeakPolarHBondContact CA-O 3.16Å; F17-E31 HydrophobicContact CD1-CB 4.45Å; F17-E31 HydrophobicContact CE1-CB 4.39Å; F17-V38 HydrophobicContact CD1-CG2 4.13Å; F17-V38 HydrophobicContact CE1-CG2 4.13Å; F17-L87 HydrophobicContact CD1-CD1 3.86Å; F17-L87 HydrophobicContact CD2-CD1 3.45Å; F17-L87 VanDerWaalsContact CD2-CD1 3.45Å; F17-L87 HydrophobicContact CE1-CD1 3.69Å; F17-L87 HydrophobicContact CE2-CD1 3.24Å; F17-L87 HydrophobicContact CE2-CG 4.03Å; F17-L87 HydrophobicContact CG-CD1 3.77Å; F17-L87 HydrophobicContact CZ-CB 4.44Å; F17-L87 HydrophobicContact CZ-CD1 3.39Å; F17-L87 HydrophobicContact CZ-CG 4.07Å
18V94.7Very high91.9Very high30 Ų3040.6 Ų40.618%0.18222%0.215CC..EExtended strand (participates in β ladder)trans-113.6137.8163.7177.10000107.1V8 N9 F10 F29 W30V8-V18 HydrophobicContact CG1-CG1 3.5Å; N9-V18 CarbonylContact O-C 3.55Å; N9-V18 WeakPolarHBondContact O-CA 3.08Å; F10-V18 HydrophobicContact CD1-CG2 3.94Å; F10-V18 HydrophobicContact CE1-CG2 3.94Å; V18-F29 WeakPolarHBondContact O-CA 3.14Å; V18-W30 HydrophobicContact CB-CB 4.2Å; V18-W30 PolarHBondContact N-O 3Å; V18-W30 VanDerWaalsContact O-CD1 3.31Å; V18-W30 PolarHBondContact O-N 3.24Å
19V94.5Very high91.9Very high0 Ų036.6 Ų36.60%019%0.19CC..EExtended strand (participates in β ladder)trans-110.3141.5172.8-67.60000109.9V8 N9 Y11 Y28 F29 L52 L61V8-V19 CarbonylContact C-O 3.56Å; V8-V19 VanDerWaalsContact CA-O 3.28Å; V8-V19 WeakPolarHBondContact CA-O 3.4Å; N9-V19 HydrophobicContact CB-CG2 3.94Å; N9-V19 PolarHBondContact N-O 3.45Å; N9-V19 WeakPolarHBondContact O-CG2 3.49Å; N9-V19 PolarHBondContact O-N 2.83Å; Y11-V19 HydrophobicContact CD2-CG1 4.4Å; Y11-V19 HydrophobicContact CG-CG1 4.13Å; V19-Y28 CarbonylContact C-O 3.59Å; V19-Y28 VanDerWaalsContact CA-O 3.26Å; V19-Y28 WeakPolarHBondContact CA-O 3.26Å; V19-F29 HydrophobicContact CG1-CD1 3.56Å; V19-F29 HydrophobicContact CG1-CD2 4.07Å; V19-F29 HydrophobicContact CG1-CE1 3.38Å; V19-F29 HydrophobicContact CG1-CE2 3.88Å; V19-F29 HydrophobicContact CG1-CG 3.92Å; V19-F29 HydrophobicContact CG1-CZ 3.55Å; V19-L52 HydrophobicContact CB-CD2 4.06Å; V19-L52 HydrophobicContact CG2-CB 4.25Å; V19-L52 HydrophobicContact CG2-CD2 4.16Å; V19-L61 HydrophobicContact CG1-CD2 4.34Å; V19-L61 HydrophobicContact CG2-CD1 4.16Å
20S94.8Very high91.8Very high3 Ų338.3 Ų38.32%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-142140.8176.8680000112.6G7 I27 Y28 W30G7-S20 VanDerWaalsContact O-CA 3.28Å; G7-S20 WeakPolarHBondContact O-CA 3.41Å; S20-I27 WeakPolarHBondContact O-CA 3.47Å; S20-Y28 PolarHBondContact N-O 2.75Å; S20-Y28 PolarHBondContact O-N 3.42Å; S20-W30 PolarHBondContact OG-NE1 3.04Å
21G93.5Very high91.8Very high0 Ų034.9 Ų34.90%018%0.179CC..EExtended strand (participates in β ladder)trans-92.4155.4171.500000112K6 G7K6-G21 PolarHBondContact N-O 2.91Å; K6-G21 VanDerWaalsContact N-O 3.09Å; G7-G21 PolarHBondContact O-N 3.49Å
22S90.8Very high91.8Very high4 Ų440 Ų403%0.02820%0.201CC..EExtended strand (participates in β ladder)trans-134152.8-176.7179.40000112C24 G25 H26 V49S22-C24 PolarHBondContact O-N 3.23Å; S22-C24 VanDerWaalsContact O-N 3.12Å; S22-C24 PolarHBondContact OG-N 3.11Å; S22-C24 PolarHBondContact OG-SG 3.34Å; S22-G25 PolarHBondContact O-N 3.11Å; S22-H26 PolarHBondContact N-O 2.93Å; S22-V49 PolarHBondContact O-N 3.23Å
23D90.1Very high92.1Very high56 Ų5645.3 Ų45.330%0.29922%0.22SC..THydrogen-bonded Turntrans-67.45.1168.1-74.9-12.4000114.3L4 K6 G47 V48L4-D23 WeakPolarHBondContact CB-OD2 3.34Å; K6-D23 VanDerWaalsContact CE-CG 3.4Å; K6-D23 WeakPolarHBondContact CE-OD1 2.86Å; K6-D23 WeakPolarHBondContact CE-OD2 3.46Å; K6-D23 IonicContact NZ-OD1 3.6Å; K6-D23 IonicContact NZ-OD2 3.66Å; D23-G47 CarbonylContact C-O 3.57Å; D23-G47 WeakPolarHBondContact CA-O 3.34Å; D23-V48 WeakPolarHBondContact OD1-CG1 3.26Å
24C88.1Confident92.6Very high40 Ų4043.9 Ų43.927%0.2721%0.209SC..THydrogen-bonded Turntrans-103.511.2165.766.70000113S22 H26 G47S22-C24 PolarHBondContact O-N 3.23Å; S22-C24 VanDerWaalsContact O-N 3.12Å; S22-C24 PolarHBondContact OG-N 3.11Å; S22-C24 PolarHBondContact OG-SG 3.34Å; C24-H26 PolarHBondContact O-N 3.29Å; C24-H26 PolarHBondContact O-ND1 3.13Å; C24-H26 PolarHBondContact SG-ND1 3.04Å; C24-G47 CarbonylContact C-O 3.46Å; C24-G47 VanDerWaalsContact C-O 3.26Å; C24-G47 WeakPolarHBondContact CA-O 3.47Å; C24-G47 PolarHBondContact N-O 3.13Å
25G89.3Confident92.8Very high1 Ų141.9 Ų41.91%0.0121%0.207CC..SBendtrans76.610.717700000113.3S22 G43 D44 G47S22-G25 PolarHBondContact O-N 3.11Å; G25-G43 WeakPolarHBondContact O-CA 3.39Å; G25-G43 PolarHBondContact O-N 3.28Å; G25-D44 PolarHBondContact O-N 3.26Å; G25-G47 WeakPolarHBondContact CA-O 3.39Å; G25-G47 PolarHBondContact N-O 2.96Å
26H91.1Very high92.9Very high47 Ų4745.5 Ų45.522%0.21822%0.219CC..EExtended strand (participates in β ladder)trans-100147.8-179.3-6981.8000112.1S22 C24 Y28 F40 M41 S42S22-H26 PolarHBondContact N-O 2.93Å; C24-H26 PolarHBondContact O-N 3.29Å; C24-H26 PolarHBondContact O-ND1 3.13Å; C24-H26 PolarHBondContact SG-ND1 3.04Å; H26-Y28 HydrophobicContact CB-CD2 4.33Å; H26-Y28 HydrophobicContact CB-CE2 3.62Å; H26-F40 AromaticContact CD2-CD2 3.82Å; H26-M41 CarbonylContact C-O 3.59Å; H26-M41 VanDerWaalsContact CA-O 3.25Å; H26-M41 WeakPolarHBondContact CA-O 3.5Å; H26-S42 PolarHBondContact NE2-OG 2.99Å
27I92Very high93Very high0 Ų048.5 Ų48.50%023%0.234CC..EExtended strand (participates in β ladder)trans-102.6130.4168.1-58.7158.9000107S20 F29 F40 M41 V49 L52 L61 T63 W73S20-I27 WeakPolarHBondContact O-CA 3.47Å; I27-F29 HydrophobicContact CG2-CD2 4.17Å; I27-F29 HydrophobicContact CG2-CE2 3.75Å; I27-F40 CarbonylContact O-C 2.85Å; I27-F40 WeakPolarHBondContact O-CA 3.46Å; I27-M41 HydrophobicContact CB-CE 4.43Å; I27-M41 HydrophobicContact CD1-CE 4.4Å; I27-M41 HydrophobicContact CG2-CE 4.32Å; I27-M41 PolarHBondContact N-O 3.15Å; I27-M41 PolarHBondContact O-N 3.14Å; I27-V49 HydrophobicContact CG1-CG1 4.17Å; I27-V49 HydrophobicContact CG1-CG2 4.14Å; I27-L52 HydrophobicContact CG1-CD2 4.41Å; I27-L52 HydrophobicContact CG2-CD2 3.76Å; I27-L61 HydrophobicContact CG2-CD2 4.21Å; I27-T63 HydrophobicContact CD1-CG2 3.69Å; I27-T63 HydrophobicContact CG1-CG2 4.29Å; I27-W73 HydrophobicContact CD1-CD2 4.33Å; I27-W73 HydrophobicContact CD1-CZ2 3.75Å
28Y93Very high93Very high52 Ų5249.6 Ų49.620%0.20424%0.241CC..EExtended strand (participates in β ladder)trans-113.1139.5176.8-64-92.5000110.2V19 S20 H26 I37 F40V19-Y28 CarbonylContact C-O 3.59Å; V19-Y28 VanDerWaalsContact CA-O 3.26Å; V19-Y28 WeakPolarHBondContact CA-O 3.26Å; S20-Y28 PolarHBondContact N-O 2.75Å; S20-Y28 PolarHBondContact O-N 3.42Å; H26-Y28 HydrophobicContact CB-CD2 4.33Å; H26-Y28 HydrophobicContact CB-CE2 3.62Å; Y28-I37 HydrophobicContact CD1-CD1 3.97Å; Y28-I37 HydrophobicContact CD1-CG2 4.13Å; Y28-I37 HydrophobicContact CE1-CD1 4.35Å; Y28-F40 HydrophobicContact CD1-CB 3.61Å; Y28-F40 HydrophobicContact CE1-CB 3.75Å; Y28-F40 HydrophobicContact CE1-CG 4.42Å; Y28-F40 HydrophobicContact CG-CB 4.36Å
29F93.4Very high92.7Very high0 Ų049.8 Ų49.80%024%0.239CC..EExtended strand (participates in β ladder)trans-111.2124.9170.7-76.9-111.9000108.4Y11 V18 V19 I27 I37 V38 K39 M41 L61 L87 F92Y11-F29 HydrophobicContact CD1-CD1 4.36Å; Y11-F29 AromaticContact CD1-CE1 3.78Å; Y11-F29 HydrophobicContact CD1-CE1 3.78Å; Y11-F29 HydrophobicContact CD2-CE1 4.28Å; Y11-F29 AromaticContact CE1-CE1 3.95Å; Y11-F29 HydrophobicContact CE1-CE1 3.95Å; Y11-F29 HydrophobicContact CE2-CE1 4.44Å; Y11-F29 AromaticContact CG-CE1 3.97Å; Y11-F29 HydrophobicContact CG-CE1 3.97Å; V18-F29 WeakPolarHBondContact O-CA 3.14Å; V19-F29 HydrophobicContact CG1-CD1 3.56Å; V19-F29 HydrophobicContact CG1-CD2 4.07Å; V19-F29 HydrophobicContact CG1-CE1 3.38Å; V19-F29 HydrophobicContact CG1-CE2 3.88Å; V19-F29 HydrophobicContact CG1-CG 3.92Å; V19-F29 HydrophobicContact CG1-CZ 3.55Å; I27-F29 HydrophobicContact CG2-CD2 4.17Å; I27-F29 HydrophobicContact CG2-CE2 3.75Å; F29-I37 WeakPolarHBondContact O-CA 3.36Å; F29-V38 HydrophobicContact CB-CG2 4.07Å; F29-V38 WeakPolarHBondContact O-CG2 3.28Å; F29-V38 PolarHBondContact O-N 2.96Å; F29-K39 HydrophobicContact CB-CB 4.1Å; F29-K39 PolarHBondContact N-O 2.97Å; F29-K39 PolarHBondContact O-N 3.43Å; F29-M41 HydrophobicContact CD2-CE 4.3Å; F29-M41 HydrophobicContact CE2-CE 3.48Å; F29-M41 VanDerWaalsContact CE2-CE 3.48Å; F29-M41 HydrophobicContact CZ-CE 4.21Å; F29-L61 HydrophobicContact CE2-CD2 4.24Å; F29-L61 HydrophobicContact CZ-CD2 3.9Å; F29-L87 HydrophobicContact CD1-CD1 4.18Å; F29-F92 HydrophobicContact CE1-CE2 4.49Å; F29-F92 HydrophobicContact CE1-CZ 4.07Å; F29-F92 HydrophobicContact CZ-CE2 4.19Å; F29-F92 AromaticContact CZ-CZ 3.9Å; F29-F92 HydrophobicContact CZ-CZ 3.9Å
30W94.4Very high92.5Very high82 Ų8255.9 Ų55.931%0.31127%0.266SS..EExtended strand (participates in β ladder)trans-111.5132.3-179.8-50.181.5000108.7F17 V18 S20 K32 Q36 I37F17-W30 CarbonylContact C-O 3.47Å; F17-W30 WeakPolarHBondContact CA-O 3.16Å; V18-W30 HydrophobicContact CB-CB 4.2Å; V18-W30 PolarHBondContact N-O 3Å; V18-W30 VanDerWaalsContact O-CD1 3.31Å; V18-W30 PolarHBondContact O-N 3.24Å; S20-W30 PolarHBondContact OG-NE1 3.04Å; W30-K32 PolarHBondContact O-N 2.81Å; W30-Q36 WeakPolarHBondContact CA-O 3.04Å; W30-I37 HydrophobicContact CD2-CG1 3.95Å; W30-I37 HydrophobicContact CE3-CD1 4.46Å; W30-I37 HydrophobicContact CE3-CG1 3.5Å; W30-I37 HydrophobicContact CH2-CD1 3.63Å; W30-I37 HydrophobicContact CH2-CG1 3.59Å; W30-I37 HydrophobicContact CZ2-CD1 4.13Å; W30-I37 HydrophobicContact CZ2-CG1 4.01Å; W30-I37 HydrophobicContact CZ3-CD1 3.83Å; W30-I37 HydrophobicContact CZ3-CG1 3.31Å
31E94.8Very high92.3Very high38 Ų3856.8 Ų56.818%0.17827%0.27CS..EExtended strand (participates in β ladder)trans-77.2120.4168.2177.4178-133.100109.2F17 Q33 T34 Q35 Q36 V38F17-E31 HydrophobicContact CD1-CB 4.45Å; F17-E31 HydrophobicContact CE1-CB 4.39Å; E31-Q33 VanDerWaalsContact C-N 3.28Å; E31-Q33 PolarHBondContact O-N 2.88Å; E31-T34 HydrophobicContact CG-CG2 4.48Å; E31-T34 PolarHBondContact O-N 2.85Å; E31-T34 WeakPolarHBondContact OE2-CB 3.45Å; E31-T34 WeakPolarHBondContact OE2-CG2 3.19Å; E31-T34 PolarHBondContact OE2-OG1 2.58Å; E31-Q35 VanDerWaalsContact O-CA 3.3Å; E31-Q35 WeakPolarHBondContact O-CA 3.26Å; E31-Q35 PolarHBondContact O-N 2.81Å; E31-Q36 PolarHBondContact N-O 2.85Å; E31-V38 HydrophobicContact CB-CG1 3.65Å
32K93.5Very high92Very high111 Ų11161 Ų6148%0.48330%0.3SS..THydrogen-bonded Turntrans-59.6-36-172.4178.8178.4171.2-177.80113.2F10 S15 E16 W30F10-K32 HydrophobicContact CE1-CD 4.36Å; S15-K32 WeakPolarHBondContact O-CD 3.44Å; E16-K32 VanDerWaalsContact O-CB 3.26Å; E16-K32 WeakPolarHBondContact O-CB 3.4Å; E16-K32 PolarHBondContact O-N 3Å; W30-K32 PolarHBondContact O-N 2.81Å
33Q94.3Very high91.6Very high137 Ų13761 Ų6164%0.6430%0.3SS*.THydrogen-bonded Turntrans-75.4-44.1-176.1-68.2-177.9600112.6E31 R84E31-Q33 VanDerWaalsContact C-N 3.28Å; E31-Q33 PolarHBondContact O-N 2.88Å; Q33-R84 VanDerWaalsContact NE2-NH1 3.12Å
34T95Very high91.1Very high63 Ų6358.9 Ų58.939%0.38729%0.289SS..THydrogen-bonded Turntrans-94.4-12.9-174.864.90000113E31 Q36E31-T34 HydrophobicContact CG-CG2 4.48Å; E31-T34 PolarHBondContact O-N 2.85Å; E31-T34 WeakPolarHBondContact OE2-CB 3.45Å; E31-T34 WeakPolarHBondContact OE2-CG2 3.19Å; E31-T34 PolarHBondContact OE2-OG1 2.58Å; T34-Q36 WeakPolarHBondContact O-CG 3.39Å; T34-Q36 PolarHBondContact O-N 3.47Å; T34-Q36 VanDerWaalsContact O-N 3.15Å; T34-Q36 PolarHBondContact O-NE2 2.93Å; T34-Q36 VanDerWaalsContact O-NE2 3.14Å; T34-Q36 PolarHBondContact OG1-N 3.43Å
35Q94.4Very high90.5Very high151 Ų15168.8 Ų68.871%0.70632%0.321SS*.  trans59.819.3-176.3-521712900112.8E31E31-Q35 VanDerWaalsContact O-CA 3.3Å; E31-Q35 WeakPolarHBondContact O-CA 3.26Å; E31-Q35 PolarHBondContact O-N 2.81Å
36Q94.9Very high89.7Confident122 Ų12271.1 Ų71.157%0.5735%0.345SS*.  trans-92.9145.1179.9-60.1-52.5-56.600110.7W30 E31 T34 V38W30-Q36 WeakPolarHBondContact CA-O 3.04Å; E31-Q36 PolarHBondContact N-O 2.85Å; T34-Q36 WeakPolarHBondContact O-CG 3.39Å; T34-Q36 PolarHBondContact O-N 3.47Å; T34-Q36 VanDerWaalsContact O-N 3.15Å; T34-Q36 PolarHBondContact O-NE2 2.93Å; T34-Q36 VanDerWaalsContact O-NE2 3.14Å; T34-Q36 PolarHBondContact OG1-N 3.43Å; Q36-V38 PolarHBondContact O-N 2.83Å
37I93.3Very high89.2Confident79 Ų7969.8 Ų69.841%0.40534%0.344SS..EExtended strand (participates in β ladder)trans-68.2114.4166.8-60171.4000107.1Y28 F29 W30 K39Y28-I37 HydrophobicContact CD1-CD1 3.97Å; Y28-I37 HydrophobicContact CD1-CG2 4.13Å; Y28-I37 HydrophobicContact CE1-CD1 4.35Å; F29-I37 WeakPolarHBondContact O-CA 3.36Å; W30-I37 HydrophobicContact CD2-CG1 3.95Å; W30-I37 HydrophobicContact CE3-CD1 4.46Å; W30-I37 HydrophobicContact CE3-CG1 3.5Å; W30-I37 HydrophobicContact CH2-CD1 3.63Å; W30-I37 HydrophobicContact CH2-CG1 3.59Å; W30-I37 HydrophobicContact CZ2-CD1 4.13Å; W30-I37 HydrophobicContact CZ2-CG1 4.01Å; W30-I37 HydrophobicContact CZ3-CD1 3.83Å; W30-I37 HydrophobicContact CZ3-CG1 3.31Å; I37-K39 WeakPolarHBondContact CG2-O 3.3Å
38V92.5Very high88.8Confident25 Ų2570.8 Ų70.815%0.15235%0.35CS..EExtended strand (participates in β ladder)trans-93.1-21.5175.6-67.70000111.9F17 F29 E31 Q36F17-V38 HydrophobicContact CD1-CG2 4.13Å; F17-V38 HydrophobicContact CE1-CG2 4.13Å; F29-V38 HydrophobicContact CB-CG2 4.07Å; F29-V38 WeakPolarHBondContact O-CG2 3.28Å; F29-V38 PolarHBondContact O-N 2.96Å; E31-V38 HydrophobicContact CB-CG1 3.65Å; Q36-V38 PolarHBondContact O-N 2.83Å
39K89.4Confident88.6Confident34 Ų3468.3 Ų68.315%0.14834%0.34CS..EExtended strand (participates in β ladder)trans-160151.6178.7-172.2165.9-176.7177.90111.9F29 I37 M41 L87 V90 F92F29-K39 HydrophobicContact CB-CB 4.1Å; F29-K39 PolarHBondContact N-O 2.97Å; F29-K39 PolarHBondContact O-N 3.43Å; I37-K39 WeakPolarHBondContact CG2-O 3.3Å; K39-M41 HydrophobicContact CD-CG 4.47Å; K39-M41 HydrophobicContact CD-SD 4.41Å; K39-M41 HydrophobicContact CG-CG 4.22Å; K39-L87 WeakPolarHBondContact CD-O 3.49Å; K39-V90 PolarHBondContact NZ-O 3.19Å; K39-F92 HydrophobicContact CD-CD2 4.49Å; K39-F92 HydrophobicContact CD-CE2 4.29Å
40F89.4Confident88.4Confident129 Ų12971.1 Ų71.157%0.56636%0.355SS*.EExtended strand (participates in β ladder)trans-137.7154.6164.771-84.3000109.6H26 I27 Y28H26-F40 AromaticContact CD2-CD2 3.82Å; I27-F40 CarbonylContact O-C 2.85Å; I27-F40 WeakPolarHBondContact O-CA 3.46Å; Y28-F40 HydrophobicContact CD1-CB 3.61Å; Y28-F40 HydrophobicContact CE1-CB 3.75Å; Y28-F40 HydrophobicContact CE1-CG 4.42Å; Y28-F40 HydrophobicContact CG-CB 4.36Å
41M90.1Very high88.3Confident21 Ų2170 Ų7010%0.10336%0.358CS..EExtended strand (participates in β ladder)trans-144.6148.6-176.8-53.8-177.9-54.200109.7H26 I27 F29 K39 G43 W73 F92H26-M41 CarbonylContact C-O 3.59Å; H26-M41 VanDerWaalsContact CA-O 3.25Å; H26-M41 WeakPolarHBondContact CA-O 3.5Å; I27-M41 HydrophobicContact CB-CE 4.43Å; I27-M41 HydrophobicContact CD1-CE 4.4Å; I27-M41 HydrophobicContact CG2-CE 4.32Å; I27-M41 PolarHBondContact N-O 3.15Å; I27-M41 PolarHBondContact O-N 3.14Å; F29-M41 HydrophobicContact CD2-CE 4.3Å; F29-M41 HydrophobicContact CE2-CE 3.48Å; F29-M41 VanDerWaalsContact CE2-CE 3.48Å; F29-M41 HydrophobicContact CZ-CE 4.21Å; K39-M41 HydrophobicContact CD-CG 4.47Å; K39-M41 HydrophobicContact CD-SD 4.41Å; K39-M41 HydrophobicContact CG-CG 4.22Å; M41-G43 PolarHBondContact O-N 3.29Å; M41-W73 HydrophobicContact CE-CD2 4.16Å; M41-W73 HydrophobicContact CE-CE3 3.99Å; M41-W73 HydrophobicContact SD-CE3 4.37Å; M41-F92 HydrophobicContact CE-CB 4.42Å; M41-F92 HydrophobicContact CE-CD2 3.98Å; M41-F92 HydrophobicContact CE-CE2 4.46Å; M41-F92 HydrophobicContact CE-CG 4.19Å; M41-F92 HydrophobicContact SD-CB 3.76Å; M41-F92 HydrophobicContact SD-CD2 3.26Å; M41-F92 WeakPolarHBondContact SD-CD2 2.71Å; M41-F92 HydrophobicContact SD-CE2 4.05Å; M41-F92 HydrophobicContact SD-CG 3.75Å
42S88.1Confident88.2Confident88 Ų8868.5 Ų68.562%0.61535%0.351SS*.EExtended strand (participates in β ladder)trans-76110.9171.6-54.80000109.2H26 W73H26-S42 PolarHBondContact NE2-OG 2.99Å; S42-W73 WeakPolarHBondContact O-CH2 3.36Å
43G83.1Confident88.2Confident4 Ų468.5 Ų68.54%0.04135%0.352CS..  trans-90.3-47.5-177.500000113.5G25 M41 K71G25-G43 WeakPolarHBondContact O-CA 3.39Å; G25-G43 PolarHBondContact O-N 3.28Å; M41-G43 PolarHBondContact O-N 3.29Å; G43-K71 WeakPolarHBondContact O-CD 3.01Å; G43-K71 WeakPolarHBondContact O-CE 2.88Å
44D79.1Confident88.2Confident12 Ų1263.1 Ų63.16%0.06433%0.33CS..  trans-137.1133.4-172.1-174.4-70.4000110.5G25 G46 G47 V48 V49 G65 L66 D67 K71G25-D44 PolarHBondContact O-N 3.26Å; D44-G46 WeakPolarHBondContact OD1-CA 3.44Å; D44-G46 PolarHBondContact OD1-N 2.95Å; D44-G47 PolarHBondContact O-N 3.26Å; D44-G47 PolarHBondContact OD1-N 3.43Å; D44-V48 WeakPolarHBondContact CB-O 3.24Å; D44-V49 HydrophobicContact CB-CG2 3.86Å; D44-G65 WeakPolarHBondContact OD2-CA 3.47Å; D44-L66 PolarHBondContact OD2-N 3.41Å; D44-D67 PolarHBondContact OD2-N 2.74Å; D44-D67 VanDerWaalsContact OD2-OD2 3.14Å; D44-K71 IonicContact OD2-NZ 3.74Å
45R75Confident87.9Confident248 Ų24863.5 Ų63.594%0.93633%0.329SS*.THydrogen-bonded Turntrans-78.2-29.1-178.6-64.6-173.1-159-128.44.6112.7G47R45-G47 PolarHBondContact O-N 3.49Å
46G73.1Confident87.5Confident50 Ų5062.4 Ų62.452%0.51534%0.335SS..THydrogen-bonded Turntrans-67.6-4171.400000113D44D44-G46 WeakPolarHBondContact OD1-CA 3.44Å; D44-G46 PolarHBondContact OD1-N 2.95Å
47G80.2Confident86.8Confident20 Ų2063.1 Ų63.121%0.20635%0.348CS..SBendtrans90.310.6165.300000113.7D23 C24 G25 D44 R45D23-G47 CarbonylContact C-O 3.57Å; D23-G47 WeakPolarHBondContact CA-O 3.34Å; C24-G47 CarbonylContact C-O 3.46Å; C24-G47 VanDerWaalsContact C-O 3.26Å; C24-G47 WeakPolarHBondContact CA-O 3.47Å; C24-G47 PolarHBondContact N-O 3.13Å; G25-G47 WeakPolarHBondContact CA-O 3.39Å; G25-G47 PolarHBondContact N-O 2.96Å; D44-G47 PolarHBondContact O-N 3.26Å; D44-G47 PolarHBondContact OD1-N 3.43Å; R45-G47 PolarHBondContact O-N 3.49Å
48V84.4Confident86.3Confident20 Ų2062.4 Ų62.412%0.12135%0.349CS..  trans-140.5132.8178-176.40000110.4D23 D44 N50 G65 L66D23-V48 WeakPolarHBondContact OD1-CG1 3.26Å; D44-V48 WeakPolarHBondContact CB-O 3.24Å; V48-N50 WeakPolarHBondContact CG1-OD1 3.48Å; V48-G65 WeakPolarHBondContact O-CA 3.5Å; V48-L66 HydrophobicContact CB-CD1 3.89Å; V48-L66 HydrophobicContact CB-CG 3.93Å; V48-L66 HydrophobicContact CG2-CD1 3.5Å; V48-L66 VanDerWaalsContact CG2-CD1 3.5Å; V48-L66 HydrophobicContact CG2-CG 4.11Å
49V88.4Confident85.9Confident0 Ų063.2 Ų63.20%036%0.356CS..EExtended strand (participates in β ladder)trans-112.7108.7167.8-178.90000108.2K6 S22 I27 D44 L52 T63K6-V49 WeakPolarHBondContact CB-O 3.15Å; S22-V49 PolarHBondContact O-N 3.23Å; I27-V49 HydrophobicContact CG1-CG1 4.17Å; I27-V49 HydrophobicContact CG1-CG2 4.14Å; D44-V49 HydrophobicContact CB-CG2 3.86Å; V49-L52 HydrophobicContact CG1-CD1 4.05Å; V49-L52 HydrophobicContact CG1-CG 4.11Å; V49-T63 HydrophobicContact CG1-CG2 4.4Å
50N89.2Confident85.8Confident59 Ų5963.1 Ų63.132%0.31636%0.358SS..EExtended strand (participates in β ladder)trans-93.6-36.9-174.9-73-48.2000112.4G7 V48 S64G7-N50 WeakPolarHBondContact CA-O 3.35Å; G7-N50 PolarHBondContact N-O 2.82Å; V48-N50 WeakPolarHBondContact CG1-OD1 3.48Å; N50-S64 PolarHBondContact N-O 2.82Å
51V91.3Very high85.9Confident60 Ų6057 Ų5736%0.36433%0.331SS..EExtended strand (participates in β ladder)trans-117.1135.4-173.6-178.20000109.7E53 T63 S64V51-E53 HydrophobicContact CG1-CG 3.88Å; V51-T63 VanDerWaalsContact O-CA 3.26Å; V51-T63 WeakPolarHBondContact O-CA 3.38Å; V51-S64 WeakPolarHBondContact CB-OG 3.47Å; V51-S64 WeakPolarHBondContact CG2-OG 3.28Å; V51-S64 PolarHBondContact N-O 2.93Å; V51-S64 VanDerWaalsContact N-O 3.08Å; V51-S64 PolarHBondContact O-N 3.26Å
52L93.4Very high86Confident5 Ų557.3 Ų57.33%0.02634%0.337CS..EExtended strand (participates in β ladder)trans-137.3107.9171.7-62.397.5000108.4G7 N9 V19 I27 V49 L61 A62 T63G7-L52 WeakPolarHBondContact O-CD1 3.49Å; N9-L52 PolarHBondContact ND2-O 3.2Å; V19-L52 HydrophobicContact CB-CD2 4.06Å; V19-L52 HydrophobicContact CG2-CB 4.25Å; V19-L52 HydrophobicContact CG2-CD2 4.16Å; I27-L52 HydrophobicContact CG1-CD2 4.41Å; I27-L52 HydrophobicContact CG2-CD2 3.76Å; V49-L52 HydrophobicContact CG1-CD1 4.05Å; V49-L52 HydrophobicContact CG1-CG 4.11Å; L52-L61 HydrophobicContact CB-CD1 4.26Å; L52-L61 HydrophobicContact CD2-CD2 4.43Å; L52-A62 WeakPolarHBondContact CA-O 3.44Å; L52-T63 HydrophobicContact CD2-CG2 4.24Å; L52-T63 HydrophobicContact CG-CG2 4.09Å
53E94.3Very high86.2Confident111 Ų11153.3 Ų53.352%0.51931%0.309SS..EExtended strand (participates in β ladder)trans-119.1102.6-179.1-72.9-57.9151.900109.9V51 A62V51-E53 HydrophobicContact CG1-CG 3.88Å; E53-A62 HydrophobicContact CB-CB 4.44Å; E53-A62 PolarHBondContact N-O 3.08Å; E53-A62 PolarHBondContact O-N 2.94Å
54P92.9Very high86.4Confident25 Ų2554.8 Ų54.816%0.16232%0.318CS..EExtended strand (participates in β ladder)trans-72141.817321.9-17000110.1N9 F10 Y11 L61N9-P54 HydrophobicContact CB-CG 3.97Å; N9-P54 WeakPolarHBondContact ND2-CD 3.48Å; F10-P54 WeakPolarHBondContact O-CG 3.37Å; Y11-P54 HydrophobicContact CD2-CB 4.04Å; P54-L61 HydrophobicContact CB-CD1 4.26Å
55N89.1Confident86.8Confident71 Ų7155 Ų5538%0.3832%0.324SS..  trans-70.3133.7168.8-173.9-68.3000109.3V57 C58 V60N55-V57 VanDerWaalsContact C-N 3.27Å; N55-V57 PolarHBondContact O-N 2.73Å; N55-V57 PolarHBondContact OD1-N 2.72Å; N55-C58 WeakPolarHBondContact CB-O 3.26Å; N55-C58 PolarHBondContact OD1-N 3.34Å; N55-C58 PolarHBondContact OD1-SG 2.86Å; N55-C58 VanDerWaalsContact OD1-SG 3.37Å; N55-V60 HydrophobicContact CB-CB 4.1Å; N55-V60 PolarHBondContact N-O 2.52Å
56P86.1Confident87.3Confident128 Ų12848.9 Ų48.983%0.83131%0.309SS*.SBendtrans-74-13.8-175.627.9-34.9000114.4
57V80.3Confident87.6Confident137 Ų13748.8 Ų48.883%0.8330%0.297SS*.SBendtrans-116.1-42-173.5-179.40000112.1N55N55-V57 VanDerWaalsContact C-N 3.27Å; N55-V57 PolarHBondContact O-N 2.73Å; N55-V57 PolarHBondContact OD1-N 2.72Å
58C82.7Confident87.6Confident63 Ų6351.9 Ų51.943%0.42632%0.315SS..SBendtrans-114.1158.6-179.264.10000112N55 V60N55-C58 WeakPolarHBondContact CB-O 3.26Å; N55-C58 PolarHBondContact OD1-N 3.34Å; N55-C58 PolarHBondContact OD1-SG 2.86Å; N55-C58 VanDerWaalsContact OD1-SG 3.37Å; C58-V60 PolarHBondContact O-N 3.04Å; C58-V60 VanDerWaalsContact SG-CG2 3.57Å
59S83.6Confident87.5Confident43 Ų4352.7 Ų52.730%0.30132%0.319SS..SBendtrans-74.760.3-179.4-54.80000111.9Y11 P75 M82Y11-S59 PolarHBondContact OH-O 2.93Å; S59-P75 WeakPolarHBondContact O-CD 3.03Å; S59-M82 PolarHBondContact OG-SD 2.87Å
60V88Confident87.3Confident32 Ų3256.9 Ų56.919%0.19434%0.341CS..  trans-121.1138177.9179.70000108.7N55 C58 W73 V74N55-V60 HydrophobicContact CB-CB 4.1Å; N55-V60 PolarHBondContact N-O 2.52Å; C58-V60 PolarHBondContact O-N 3.04Å; C58-V60 VanDerWaalsContact SG-CG2 3.57Å; V60-W73 WeakPolarHBondContact CA-O 3.19Å; V60-V74 HydrophobicContact CG1-CG2 4.41Å; V60-V74 HydrophobicContact CG2-CG2 4.11Å
61L91.6Very high87.3Confident0 Ų054.6 Ų54.60%033%0.328CS..EExtended strand (participates in β ladder)trans-118.5126.5173177.668000109.2Y11 V19 I27 F29 L52 P54 T63 W73Y11-L61 HydrophobicContact CE2-CB 4.13Å; V19-L61 HydrophobicContact CG1-CD2 4.34Å; V19-L61 HydrophobicContact CG2-CD1 4.16Å; I27-L61 HydrophobicContact CG2-CD2 4.21Å; F29-L61 HydrophobicContact CE2-CD2 4.24Å; F29-L61 HydrophobicContact CZ-CD2 3.9Å; L52-L61 HydrophobicContact CB-CD1 4.26Å; L52-L61 HydrophobicContact CD2-CD2 4.43Å; P54-L61 HydrophobicContact CB-CD1 4.26Å; L61-T63 HydrophobicContact CD2-CG2 4Å; L61-T63 HydrophobicContact CG-CG2 3.91Å; L61-W73 HydrophobicContact CB-CB 4.2Å; L61-W73 PolarHBondContact N-O 2.73Å; L61-W73 VanDerWaalsContact O-CD1 3.29Å; L61-W73 PolarHBondContact O-N 3.21Å
62A91.7Very high87.2Confident27 Ų2754.3 Ų54.322%0.22332%0.324CS..EExtended strand (participates in β ladder)trans-95.5135.316900000109.7L52 E53 K71 L72L52-A62 WeakPolarHBondContact CA-O 3.44Å; E53-A62 HydrophobicContact CB-CB 4.44Å; E53-A62 PolarHBondContact N-O 3.08Å; E53-A62 PolarHBondContact O-N 2.94Å; A62-K71 CarbonylContact C-O 3.52Å; A62-K71 WeakPolarHBondContact CA-O 3.47Å; A62-L72 HydrophobicContact CB-CD2 3.72Å
63T91.8Very high87Confident4 Ų454.8 Ų54.83%0.02533%0.325CS..EExtended strand (participates in β ladder)trans-135.7147.5175.364.80000111.8I27 V49 V51 L52 L61 K71 W73I27-T63 HydrophobicContact CD1-CG2 3.69Å; I27-T63 HydrophobicContact CG1-CG2 4.29Å; V49-T63 HydrophobicContact CG1-CG2 4.4Å; V51-T63 VanDerWaalsContact O-CA 3.26Å; V51-T63 WeakPolarHBondContact O-CA 3.38Å; L52-T63 HydrophobicContact CD2-CG2 4.24Å; L52-T63 HydrophobicContact CG-CG2 4.09Å; L61-T63 HydrophobicContact CD2-CG2 4Å; L61-T63 HydrophobicContact CG-CG2 3.91Å; T63-K71 PolarHBondContact N-O 3.01Å; T63-K71 PolarHBondContact O-N 3.26Å; T63-K71 WeakPolarHBondContact OG1-CB 3.36Å; T63-W73 PolarHBondContact OG1-NE1 2.67Å
64S88.8Confident86.5Confident35 Ų3551.9 Ų51.925%0.24532%0.315CS..EExtended strand (participates in β ladder)trans-142.4158.4169.666.10000111.2N50 V51N50-S64 PolarHBondContact N-O 2.82Å; V51-S64 WeakPolarHBondContact CB-OG 3.47Å; V51-S64 WeakPolarHBondContact CG2-OG 3.28Å; V51-S64 PolarHBondContact N-O 2.93Å; V51-S64 VanDerWaalsContact N-O 3.08Å; V51-S64 PolarHBondContact O-N 3.26Å
65G86.9Confident85.8Confident18 Ų1852.3 Ų52.319%0.18632%0.318CS..EExtended strand (participates in β ladder)trans-140.9-131.7-168.600000112.9D44 V48D44-G65 WeakPolarHBondContact OD2-CA 3.47Å; V48-G65 WeakPolarHBondContact O-CA 3.5Å
66L84.6Confident84.8Confident118 Ų11851.9 Ų51.962%0.61832%0.32SS*.SBendtrans-95.5-19.3173.7-75.1175.3000112.4D44 V48D44-L66 PolarHBondContact OD2-N 3.41Å; V48-L66 HydrophobicContact CB-CD1 3.89Å; V48-L66 HydrophobicContact CB-CG 3.93Å; V48-L66 HydrophobicContact CG2-CD1 3.5Å; V48-L66 VanDerWaalsContact CG2-CD1 3.5Å; V48-L66 HydrophobicContact CG2-CG 4.11Å
67D80.8Confident83.7Confident48 Ų4847.5 Ų47.526%0.25729%0.293SS..SBendtrans-76167172.567.932.8000112.1D44 D69 K71D44-D67 PolarHBondContact OD2-N 2.74Å; D44-D67 VanDerWaalsContact OD2-OD2 3.14Å; D67-D69 PolarHBondContact O-N 3.2Å; D67-D69 PolarHBondContact OD1-N 2.92Å; D67-K71 IonicContact OD1-NZ 2.73Å; D67-K71 PolarHBondContact OD1-NZ 2.88Å; D67-K71 IonicContact OD2-NZ 2.67Å; D67-K71 PolarHBondContact OD2-NZ 3.34Å
68S80.4Confident82.6Confident86 Ų8649 Ų4960%0.60130%0.296SS*.SBendtrans-78.40.2-177.351.60000113.6
69D80.9Confident81.2Confident36 Ų3651 Ų5119%0.19330%0.303CS..EExtended strand (participates in β ladder)trans-105.3131-170.1-65.8-29.9000111.7D67 L96 S98D67-D69 PolarHBondContact O-N 3.2Å; D67-D69 PolarHBondContact OD1-N 2.92Å; D69-L96 HydrophobicContact CB-CD2 4.03Å; D69-S98 WeakPolarHBondContact OD1-CA 3.5Å; D69-S98 WeakPolarHBondContact OD1-CB 3.47Å
70I85.9Confident79.7Confident89 Ų8955.4 Ų55.446%0.45633%0.328SS..EExtended strand (participates in β ladder)trans-84134.1162.7-60.1173.4000108.2Q97I70-Q97 PolarHBondContact O-N 2.74Å
71K87.9Confident78Confident10 Ų1060.5 Ų60.54%0.04335%0.35CS..EExtended strand (participates in β ladder)trans-114.8125.3-174.5-65.8-171.6-171.666.60110G43 D44 A62 T63 D67 W73 L94 L96G43-K71 WeakPolarHBondContact O-CD 3.01Å; G43-K71 WeakPolarHBondContact O-CE 2.88Å; D44-K71 IonicContact OD2-NZ 3.74Å; A62-K71 CarbonylContact C-O 3.52Å; A62-K71 WeakPolarHBondContact CA-O 3.47Å; T63-K71 PolarHBondContact N-O 3.01Å; T63-K71 PolarHBondContact O-N 3.26Å; T63-K71 WeakPolarHBondContact OG1-CB 3.36Å; D67-K71 IonicContact OD1-NZ 2.73Å; D67-K71 PolarHBondContact OD1-NZ 2.88Å; D67-K71 IonicContact OD2-NZ 2.67Å; D67-K71 PolarHBondContact OD2-NZ 3.34Å; K71-W73 HydrophobicContact CB-CZ2 4.36Å; K71-W73 HydrophobicContact CD-CZ2 4.18Å; K71-L94 HydrophobicContact CB-CD1 3.37Å; K71-L94 HydrophobicContact CD-CD1 3.83Å; K71-L94 HydrophobicContact CD-CD2 4.14Å; K71-L94 HydrophobicContact CG-CD1 3.62Å; K71-L96 HydrophobicContact CD-CD2 4.34Å; K71-L96 HydrophobicContact CG-CD2 3.89Å
72L89.8Confident76.3Confident55 Ų5562.4 Ų62.429%0.28836%0.359SS..EExtended strand (participates in β ladder)trans-104.7126.7174.3-59.9180000109.5A62 F95A62-L72 HydrophobicContact CB-CD2 3.72Å; L72-F95 HydrophobicContact CB-CB 4.39Å; L72-F95 PolarHBondContact N-O 3.32Å; L72-F95 VanDerWaalsContact N-O 3.13Å; L72-F95 PolarHBondContact O-N 3.34Å
73W89.4Confident74.3Confident14 Ų1465.6 Ų65.65%0.05337%0.373CS..EExtended strand (participates in β ladder)trans-107.9119.1178.7-53.988000109.1I27 M41 S42 V60 L61 T63 K71 F92 L94I27-W73 HydrophobicContact CD1-CD2 4.33Å; I27-W73 HydrophobicContact CD1-CZ2 3.75Å; M41-W73 HydrophobicContact CE-CD2 4.16Å; M41-W73 HydrophobicContact CE-CE3 3.99Å; M41-W73 HydrophobicContact SD-CE3 4.37Å; S42-W73 WeakPolarHBondContact O-CH2 3.36Å; V60-W73 WeakPolarHBondContact CA-O 3.19Å; L61-W73 HydrophobicContact CB-CB 4.2Å; L61-W73 PolarHBondContact N-O 2.73Å; L61-W73 VanDerWaalsContact O-CD1 3.29Å; L61-W73 PolarHBondContact O-N 3.21Å; T63-W73 PolarHBondContact OG1-NE1 2.67Å; K71-W73 HydrophobicContact CB-CZ2 4.36Å; K71-W73 HydrophobicContact CD-CZ2 4.18Å; W73-F92 HydrophobicContact CB-CB 4.32Å; W73-F92 HydrophobicContact CB-CD1 3.78Å; W73-F92 HydrophobicContact CB-CG 4.34Å; W73-F92 HydrophobicContact CE3-CB 3.86Å; W73-L94 HydrophobicContact CE3-CB 4.47Å; W73-L94 HydrophobicContact CH2-CB 4.25Å; W73-L94 HydrophobicContact CH2-CD1 4.23Å; W73-L94 HydrophobicContact CH2-CD2 4.34Å; W73-L94 HydrophobicContact CZ2-CD1 4.01Å; W73-L94 HydrophobicContact CZ3-CB 4.08Å
74V84Confident72.4Confident50 Ų5070.9 Ų70.930%0.30339%0.392SS..EExtended strand (participates in β ladder)trans-120.8133.6176.8-170.20000109.1V60 S76 F92 S93 F95V60-V74 HydrophobicContact CG1-CG2 4.41Å; V60-V74 HydrophobicContact CG2-CG2 4.11Å; V74-S76 PolarHBondContact O-N 2.86Å; V74-F92 WeakPolarHBondContact O-CA 3.33Å; V74-S93 PolarHBondContact N-O 2.73Å; V74-S93 PolarHBondContact O-N 2.74Å; V74-S93 PolarHBondContact O-OG 2.99Å; V74-F95 HydrophobicContact CB-CE2 4.46Å; V74-F95 HydrophobicContact CG2-CD2 4.13Å; V74-F95 HydrophobicContact CG2-CE2 4.26Å
75P76.6Confident70.6Confident34 Ų3476.9 Ų76.922%0.22142%0.416CS..EExtended strand (participates in β ladder)trans-63.6120.2174.427.4-34.6000109.6S59 S77 V90 R91 F92S59-P75 WeakPolarHBondContact O-CD 3.03Å; P75-S77 PolarHBondContact O-N 3.3Å; P75-V90 HydrophobicContact CB-CG1 3.32Å; P75-R91 CarbonylContact C-O 3.54Å; P75-F92 HydrophobicContact CB-CE1 4.35Å
76S69.9Low69Low62 Ų6277.7 Ų77.743%0.43442%0.416SS..  trans-86.523.4-179.7-55.20000113.1V74 R91 S93V74-S76 PolarHBondContact O-N 2.86Å; S76-R91 WeakPolarHBondContact CB-O 3.2Å; S76-R91 PolarHBondContact N-O 3.32Å; S76-S93 VanDerWaalsContact OG-CB 3.24Å; S76-S93 WeakPolarHBondContact OG-CB 3.13Å; S76-S93 PolarHBondContact OG-N 3.34Å; S76-S93 PolarHBondContact OG-OG 2.87Å
77S62.4Low67.7Low37 Ų3772.1 Ų72.126%0.25939%0.387SS..  trans-90.6124.2176.81620000108.6P75 N79P75-S77 PolarHBondContact O-N 3.3Å; S77-N79 PolarHBondContact O-N 2.85Å; S77-N79 VanDerWaalsContact O-N 3.11Å; S77-N79 WeakPolarHBondContact OG-CA 3.25Å; S77-N79 WeakPolarHBondContact OG-CB 3.17Å; S77-N79 PolarHBondContact OG-N 3.07Å; S77-N79 VanDerWaalsContact OG-N 3.11Å; S77-N79 PolarHBondContact OG-O 3.17Å
78D57.7Low66.4Low168 Ų16877.1 Ų77.190%0.89841%0.406SS*.SBendtrans-58.5-20.4170.8-65.5-32.6000111.8T80D78-T80 PolarHBondContact O-N 2.82Å
79N52Low65.2Low104 Ų10480 Ų8056%0.55641%0.41SS*.  trans-81.4104.1169-95.7-20.9000110.3S77 E81 L86S77-N79 PolarHBondContact O-N 2.85Å; S77-N79 VanDerWaalsContact O-N 3.11Å; S77-N79 WeakPolarHBondContact OG-CA 3.25Å; S77-N79 WeakPolarHBondContact OG-CB 3.17Å; S77-N79 PolarHBondContact OG-N 3.07Å; S77-N79 VanDerWaalsContact OG-N 3.11Å; S77-N79 PolarHBondContact OG-O 3.17Å; N79-E81 PolarHBondContact O-N 3.12Å; N79-L86 HydrophobicContact CB-CD1 4.36Å
80T52.1Low63.9Low136 Ų13678.7 Ų78.783%0.83440%0.404SS*.  trans-70.9-15171.941.40000113.8D78 M82D78-T80 PolarHBondContact O-N 2.82Å; T80-M82 PolarHBondContact O-N 3Å
81E53.5Low62.8Low139 Ų13984.2 Ų84.265%0.6542%0.419SS*.  trans-70.3101.6168.9-78.5179.2161.400107.5N79 D83 L86N79-E81 PolarHBondContact O-N 3.12Å; E81-D83 PolarHBondContact O-N 3.07Å; E81-L86 VanDerWaalsContact O-CD1 3.25Å; E81-L86 WeakPolarHBondContact O-CD1 3.46Å
82M54.9Low61.6Low41 Ų4184.9 Ų84.920%0.20242%0.422CS..  trans-7461.8178.6-160.3160.461.900109.6Y11 P13 S59 T80Y11-M82 HydrophobicContact CE1-CE 4.42Å; Y11-M82 HydrophobicContact CE1-SD 4.06Å; P13-M82 HydrophobicContact CG-CE 4.15Å; S59-M82 PolarHBondContact OG-SD 2.87Å; T80-M82 PolarHBondContact O-N 3Å
83D49.9Very low60.2Low94 Ų9484 Ų8450%0.50342%0.42SS..  trans-69140.7-175.3-132.1-15000109E81 Q85 L86E81-D83 PolarHBondContact O-N 3.07Å; D83-Q85 PolarHBondContact O-N 3.25Å; D83-L86 HydrophobicContact CB-CB 4.5Å; D83-L86 HydrophobicContact CB-CD1 3.67Å; D83-L86 HydrophobicContact CB-CG 3.94Å; D83-L86 WeakPolarHBondContact O-CA 3.42Å; D83-L86 WeakPolarHBondContact O-CB 3.22Å; D83-L86 PolarHBondContact O-N 3.09Å
84R51.4Low59Low114 Ų11486.6 Ų86.643%0.4344%0.435SS..THydrogen-bonded Turntrans-55-28.8-170.9-67.6173.1177.1-117-1.4113.3Q33Q33-R84 VanDerWaalsContact NE2-NH1 3.12Å
85Q51.6Low58.1Low162 Ų16290.1 Ų90.176%0.75745%0.446SS*.THydrogen-bonded Turntrans-80.4-19.6177.5-77.9163.6-9.500113.3D83D83-Q85 PolarHBondContact O-N 3.25Å
86L53.9Low57.1Low34 Ų3493 Ų9318%0.17846%0.459CS..THydrogen-bonded Turntrans-82.6-27.9-174.2-67.4174.7000113.3N79 E81 D83 K88 Q89 V90N79-L86 HydrophobicContact CB-CD1 4.36Å; E81-L86 VanDerWaalsContact O-CD1 3.25Å; E81-L86 WeakPolarHBondContact O-CD1 3.46Å; D83-L86 HydrophobicContact CB-CB 4.5Å; D83-L86 HydrophobicContact CB-CD1 3.67Å; D83-L86 HydrophobicContact CB-CG 3.94Å; D83-L86 WeakPolarHBondContact O-CA 3.42Å; D83-L86 WeakPolarHBondContact O-CB 3.22Å; D83-L86 PolarHBondContact O-N 3.09Å; L86-K88 PolarHBondContact O-N 3.33Å; L86-Q89 CarbonylContact O-C 3.26Å; L86-Q89 WeakPolarHBondContact O-CA 3.48Å; L86-Q89 WeakPolarHBondContact O-CB 3.38Å; L86-Q89 PolarHBondContact O-N 3.21Å; L86-V90 HydrophobicContact CB-CG2 3.96Å; L86-V90 WeakPolarHBondContact O-CG2 3.44Å; L86-V90 PolarHBondContact O-N 3.18Å
87L56.1Low56.3Low2 Ų294.9 Ų94.91%0.0146%0.461CS..THydrogen-bonded Turntrans-56.9-30.7-180-91.7-166.9000113.6F17 F29 K39 Q89 V90 F92F17-L87 HydrophobicContact CD1-CD1 3.86Å; F17-L87 HydrophobicContact CD2-CD1 3.45Å; F17-L87 VanDerWaalsContact CD2-CD1 3.45Å; F17-L87 HydrophobicContact CE1-CD1 3.69Å; F17-L87 HydrophobicContact CE2-CD1 3.24Å; F17-L87 HydrophobicContact CE2-CG 4.03Å; F17-L87 HydrophobicContact CG-CD1 3.77Å; F17-L87 HydrophobicContact CZ-CB 4.44Å; F17-L87 HydrophobicContact CZ-CD1 3.39Å; F17-L87 HydrophobicContact CZ-CG 4.07Å; F29-L87 HydrophobicContact CD1-CD1 4.18Å; K39-L87 WeakPolarHBondContact CD-O 3.49Å; L87-Q89 PolarHBondContact O-N 3.44Å; L87-V90 HydrophobicContact CD2-CB 4.43Å; L87-F92 HydrophobicContact CD2-CE2 4.05Å; L87-F92 HydrophobicContact CD2-CZ 3.93Å
88K55.2Low55.7Low152 Ų15297 Ų9766%0.66148%0.476SS*.THydrogen-bonded Turntrans-62.8-27.4172.9-68.2-176.6179.9178.50112.7L86L86-K88 PolarHBondContact O-N 3.33Å
89Q54.2Low55.2Low146 Ų14697.1 Ų97.168%0.68247%0.465SS*.THydrogen-bonded Turntrans-104.3-32.3-176.4-61.3-179.1-2.600113.5L86 L87 R91L86-Q89 CarbonylContact O-C 3.26Å; L86-Q89 WeakPolarHBondContact O-CA 3.48Å; L86-Q89 WeakPolarHBondContact O-CB 3.38Å; L86-Q89 PolarHBondContact O-N 3.21Å; L87-Q89 PolarHBondContact O-N 3.44Å; Q89-R91 PolarHBondContact O-N 3.38Å
90V53.8Low55.2Low10 Ų1096.7 Ų96.76%0.06147%0.469CS..PPolyproline II helixtrans-57.3123.7178.5169.10000107.4K39 P75 L86 L87K39-V90 PolarHBondContact NZ-O 3.19Å; P75-V90 HydrophobicContact CB-CG1 3.32Å; L86-V90 HydrophobicContact CB-CG2 3.96Å; L86-V90 WeakPolarHBondContact O-CG2 3.44Å; L86-V90 PolarHBondContact O-N 3.18Å; L87-V90 HydrophobicContact CD2-CB 4.43Å
91R62Low54.8Low204 Ų204101.9 Ų101.977%0.7749%0.492SS*.PPolyproline II helixtrans-83.3145167.8-70.9179.6176.9162.9-0.5108.3P75 S76 Q89P75-R91 CarbonylContact C-O 3.54Å; S76-R91 WeakPolarHBondContact CB-O 3.2Å; S76-R91 PolarHBondContact N-O 3.32Å; Q89-R91 PolarHBondContact O-N 3.38Å
92F62.6Low54.8Low25 Ų25100 Ų10011%0.1148%0.484CS..EExtended strand (participates in β ladder)trans-98.1135165.6-73.7-94.6000107.9F29 K39 M41 W73 V74 P75 L87F29-F92 HydrophobicContact CE1-CE2 4.49Å; F29-F92 HydrophobicContact CE1-CZ 4.07Å; F29-F92 HydrophobicContact CZ-CE2 4.19Å; F29-F92 AromaticContact CZ-CZ 3.9Å; F29-F92 HydrophobicContact CZ-CZ 3.9Å; K39-F92 HydrophobicContact CD-CD2 4.49Å; K39-F92 HydrophobicContact CD-CE2 4.29Å; M41-F92 HydrophobicContact CE-CB 4.42Å; M41-F92 HydrophobicContact CE-CD2 3.98Å; M41-F92 HydrophobicContact CE-CE2 4.46Å; M41-F92 HydrophobicContact CE-CG 4.19Å; M41-F92 HydrophobicContact SD-CB 3.76Å; M41-F92 HydrophobicContact SD-CD2 3.26Å; M41-F92 WeakPolarHBondContact SD-CD2 2.71Å; M41-F92 HydrophobicContact SD-CE2 4.05Å; M41-F92 HydrophobicContact SD-CG 3.75Å; W73-F92 HydrophobicContact CB-CB 4.32Å; W73-F92 HydrophobicContact CB-CD1 3.78Å; W73-F92 HydrophobicContact CB-CG 4.34Å; W73-F92 HydrophobicContact CE3-CB 3.86Å; V74-F92 WeakPolarHBondContact O-CA 3.33Å; P75-F92 HydrophobicContact CB-CE1 4.35Å; L87-F92 HydrophobicContact CD2-CE2 4.05Å; L87-F92 HydrophobicContact CD2-CZ 3.93Å
93S62Low54.8Low36 Ų36103.1 Ų103.125%0.25250%0.498SS..EExtended strand (participates in β ladder)trans-93.9134.2169.345.10000108.6V74 S76 F95V74-S93 PolarHBondContact N-O 2.73Å; V74-S93 PolarHBondContact O-N 2.74Å; V74-S93 PolarHBondContact O-OG 2.99Å; S76-S93 VanDerWaalsContact OG-CB 3.24Å; S76-S93 WeakPolarHBondContact OG-CB 3.13Å; S76-S93 PolarHBondContact OG-N 3.34Å; S76-S93 PolarHBondContact OG-OG 2.87Å; S93-F95 WeakPolarHBondContact OG-CE2 3.43Å
94L63.3Low55.1Low68 Ų68103.6 Ų103.636%0.35650%0.498SS..EExtended strand (participates in β ladder)trans-89.6115.2174.2172.659.6000108.2K71 W73 L96K71-L94 HydrophobicContact CB-CD1 3.37Å; K71-L94 HydrophobicContact CD-CD1 3.83Å; K71-L94 HydrophobicContact CD-CD2 4.14Å; K71-L94 HydrophobicContact CG-CD1 3.62Å; W73-L94 HydrophobicContact CE3-CB 4.47Å; W73-L94 HydrophobicContact CH2-CB 4.25Å; W73-L94 HydrophobicContact CH2-CD1 4.23Å; W73-L94 HydrophobicContact CH2-CD2 4.34Å; W73-L94 HydrophobicContact CZ2-CD1 4.01Å; W73-L94 HydrophobicContact CZ3-CB 4.08Å; L94-L96 HydrophobicContact CD1-CD2 4.28Å; L94-L96 HydrophobicContact CD2-CD2 3.96Å; L94-L96 HydrophobicContact CD2-CG 4.03Å; L94-L96 HydrophobicContact CG-CD2 4.22Å; L94-L96 HydrophobicContact CG-CG 4.06Å
95F64.2Low55.3Low124 Ų124103 Ų10354%0.54450%0.502SS..EExtended strand (participates in β ladder)trans-95.4111.7162.9-67.6-89.9000107.4L72 V74 S93L72-F95 HydrophobicContact CB-CB 4.39Å; L72-F95 PolarHBondContact N-O 3.32Å; L72-F95 VanDerWaalsContact N-O 3.13Å; L72-F95 PolarHBondContact O-N 3.34Å; V74-F95 HydrophobicContact CB-CE2 4.46Å; V74-F95 HydrophobicContact CG2-CD2 4.13Å; V74-F95 HydrophobicContact CG2-CE2 4.26Å; S93-F95 WeakPolarHBondContact OG-CE2 3.43Å
96L57.3Low55.6Low96 Ų9699.3 Ų99.350%0.50349%0.486SS..EExtended strand (participates in β ladder)trans-80.9125170.6-72.1170.1000108D69 K71 L94D69-L96 HydrophobicContact CB-CD2 4.03Å; K71-L96 HydrophobicContact CD-CD2 4.34Å; K71-L96 HydrophobicContact CG-CD2 3.89Å; L94-L96 HydrophobicContact CD1-CD2 4.28Å; L94-L96 HydrophobicContact CD2-CD2 3.96Å; L94-L96 HydrophobicContact CD2-CG 4.03Å; L94-L96 HydrophobicContact CG-CD2 4.22Å; L94-L96 HydrophobicContact CG-CG 4.06Å
97Q53.3Low55.7Low101 Ų101103.7 Ų103.747%0.47251%0.507SS..EExtended strand (participates in β ladder)trans-113.992.2162.5-164.3159.3-1300107.1I70 Y99I70-Q97 PolarHBondContact O-N 2.74Å; Q97-Y99 HydrophobicContact CG-CD2 4.23Å; Q97-Y99 HydrophobicContact CG-CE2 3.72Å; Q97-Y99 PolarHBondContact NE2-OH 3.16Å; Q97-Y99 VanDerWaalsContact NE2-OH 3.13Å; Q97-Y99 PolarHBondContact O-N 3.29Å
98S49.7Very low55.6Low81 Ų81110.9 Ų110.957%0.56654%0.542SS*.EExtended strand (participates in β ladder)trans-74117.7174.7480000108.9D69D69-S98 WeakPolarHBondContact OD1-CA 3.5Å; D69-S98 WeakPolarHBondContact OD1-CB 3.47Å
99Y47.2Very low55.7Low171 Ų171107.8 Ų107.867%0.67153%0.533SS*.  trans-101.990.3164.5-78.4-90.1000107.1Q97Q97-Y99 HydrophobicContact CG-CD2 4.23Å; Q97-Y99 HydrophobicContact CG-CE2 3.72Å; Q97-Y99 PolarHBondContact NE2-OH 3.16Å; Q97-Y99 VanDerWaalsContact NE2-OH 3.13Å; Q97-Y99 PolarHBondContact O-N 3.29Å
100C51Low55.8Low94 Ų94104.6 Ų104.664%0.63552%0.521SS*.  trans-119.8124.7163.4-71.20000106.9
101D43.2Very low56Low245 Ų245113.2 Ų113.2100%1.3156%0.563SS**  trans-56.40163.4-72.7-35.5000111.2

Retrieved 101 of 101 residues in 26.7 ms (Link to these results)