G4VG80_SCHMA Loading...

Diphthamide biosynthesis protein 3

AlphaFold DB , UniProt , Accession G4VG80, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 78 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
1M49.2Very low75.6Confident229 Ų229105.4 Ų105.4100%1.12854%0.538SS*.  0106.40-91.6153.3173.300106.5V3M1-V3 VanDerWaalsContact C-N 3.29Å; M1-V3 HydrophobicContact CB-CG2 4.25Å; M1-V3 PolarHBondContact O-N 3.38Å; M1-V3 VanDerWaalsContact O-N 3.08Å
2S51.3Low77Confident104 Ų104104.9 Ų104.973%0.72754%0.538SS*.  trans-70.899.3163-53.40000104.9F4S2-F4 PolarHBondContact O-N 2.98Å
3V56.4Low78.2Confident118 Ų11897.8 Ų97.872%0.71550%0.501SS*.  trans-76.4110.7176.3171.60000105.2M1 H5M1-V3 VanDerWaalsContact C-N 3.29Å; M1-V3 HydrophobicContact CB-CG2 4.25Å; M1-V3 PolarHBondContact O-N 3.38Å; M1-V3 VanDerWaalsContact O-N 3.08Å; V3-H5 PolarHBondContact O-N 3.32Å
4F64.2Low79.4Confident102 Ų10299.7 Ų99.745%0.44751%0.507SS..  trans-57.3134.3164.2-66.2-75.1000107.5S2 I45S2-F4 PolarHBondContact O-N 2.98Å; F4-I45 HydrophobicContact CD1-CD1 4.41Å; F4-I45 HydrophobicContact CE1-CD1 3.52Å; F4-I45 HydrophobicContact CE1-CG1 4.39Å; F4-I45 HydrophobicContact CE1-CG2 4.31Å; F4-I45 HydrophobicContact CZ-CD1 3.99Å
5H69.2Low80.2Confident87 Ų8798.6 Ų98.640%0.40350%0.495SS..  trans-66.4-50.1-178.8-154.1-74.8000108.9V3 L53 Y54 V55V3-H5 PolarHBondContact O-N 3.32Å; H5-L53 VanDerWaalsContact CD2-CD1 3.44Å; H5-L53 WeakPolarHBondContact CD2-CD1 3.47Å; H5-Y54 PolarHBondContact N-O 2.74Å; H5-V55 HydrophobicContact CB-CG1 4.06Å
6D81.9Confident80.9Confident95 Ų9596.9 Ų96.951%0.50849%0.488SS..  trans-160.3166.9-178.3-73.9-80.9000111V55 R56D6-V55 WeakPolarHBondContact O-CA 3.29Å; D6-R56 PolarHBondContact O-N 2.96Å
7E91.1Very high81.2Confident128 Ų128100.8 Ų100.860%0.59850%0.504SS*.EExtended strand (participates in β ladder)trans-103.8126.4167.3-55.1-176.1100.900108.3R56 I58E7-R56 CarbonylContact C-O 3.41Å; E7-R56 VanDerWaalsContact CA-O 3.29Å; E7-R56 WeakPolarHBondContact CA-O 3.48Å; E7-R56 HydrophobicContact CB-CB 4.36Å; E7-R56 HydrophobicContact CG-CB 3.96Å; E7-R56 WeakPolarHBondContact OE1-CD 3.48Å; E7-R56 IonicContact OE1-NH1 3.92Å; E7-I58 HydrophobicContact CB-CD1 4.21Å; E7-I58 HydrophobicContact CB-CG1 4.07Å
8I91.8Very high81.6Confident15 Ų15106 Ų1068%0.07753%0.526CS..EExtended strand (participates in β ladder)trans-124.6130.4-172-63.5162.6000108.5D12 M13 Y24 V55 R56 V57 I58I8-D12 HydrophobicContact CG2-CB 4.24Å; I8-M13 HydrophobicContact CG2-CG 3.97Å; I8-Y24 HydrophobicContact CD1-CD1 3.47Å; I8-Y24 VanDerWaalsContact CD1-CD1 3.47Å; I8-Y24 HydrophobicContact CD1-CE1 3.52Å; I8-Y24 HydrophobicContact CD1-CG 3.98Å; I8-Y24 HydrophobicContact CG1-CE1 4.25Å; I8-Y24 HydrophobicContact CG2-CD2 3.88Å; I8-Y24 HydrophobicContact CG2-CE1 4.49Å; I8-Y24 HydrophobicContact CG2-CE2 3.72Å; I8-Y24 HydrophobicContact CG2-CG 4.33Å; I8-V55 HydrophobicContact CD1-CB 3.73Å; I8-V55 HydrophobicContact CD1-CG1 3.81Å; I8-V55 HydrophobicContact CD1-CG2 3.79Å; I8-R56 PolarHBondContact N-O 3.44Å; I8-V57 CarbonylContact O-C 3.55Å; I8-V57 VanDerWaalsContact O-CA 3.31Å; I8-V57 WeakPolarHBondContact O-CA 3.4Å; I8-I58 PolarHBondContact O-N 3.36Å
9E93.5Very high82.1Confident125 Ų125104.4 Ų104.458%0.58453%0.526SS*.EExtended strand (participates in β ladder)trans-70.9138.7175.2-64.5-179111.900110.4E11 D12 I58E9-E11 PolarHBondContact O-N 3.46Å; E9-E11 VanDerWaalsContact O-N 3.11Å; E9-D12 WeakPolarHBondContact O-CB 3.12Å; E9-D12 PolarHBondContact O-N 2.91Å; E9-I58 CarbonylContact C-O 3.59Å; E9-I58 WeakPolarHBondContact CA-O 3.38Å; E9-I58 HydrophobicContact CG-CB 4.36Å
10I91.9Very high82.4Confident7 Ų7103.4 Ų103.44%0.03652%0.52CS..G310 helixtrans-56.7-29.4-180-166.770.2000112.2D12 M13 Y22 L39 V57 I58 N63I10-D12 VanDerWaalsContact C-N 3.26Å; I10-D12 PolarHBondContact O-N 3.18Å; I10-M13 HydrophobicContact CD1-SD 4.09Å; I10-M13 WeakPolarHBondContact O-CB 3.35Å; I10-M13 PolarHBondContact O-N 3.19Å; I10-M13 VanDerWaalsContact O-N 3.14Å; I10-Y22 HydrophobicContact CD1-CD1 3.4Å; I10-Y22 HydrophobicContact CD1-CD2 3.78Å; I10-Y22 HydrophobicContact CD1-CE1 3.59Å; I10-Y22 HydrophobicContact CD1-CE2 3.96Å; I10-Y22 HydrophobicContact CD1-CG 3.48Å; I10-Y22 VanDerWaalsContact CD1-CG 3.48Å; I10-Y22 HydrophobicContact CG1-CD1 3.84Å; I10-Y22 HydrophobicContact CG1-CE1 3.55Å; I10-Y22 HydrophobicContact CG1-CE2 4.45Å; I10-Y22 HydrophobicContact CG1-CG 4.38Å; I10-L39 HydrophobicContact CD1-CD1 3.5Å; I10-L39 VanDerWaalsContact CD1-CD1 3.5Å; I10-L39 HydrophobicContact CG1-CD1 4.49Å; I10-V57 HydrophobicContact CB-CG1 4.12Å; I10-V57 HydrophobicContact CD1-CG1 3.53Å; I10-V57 HydrophobicContact CG1-CG1 4.44Å; I10-I58 PolarHBondContact N-O 3.39Å; I10-N63 HydrophobicContact CG2-CB 3.69Å
11E91Very high83Confident149 Ų14999.1 Ų99.170%0.69650%0.499SS*.G310 helixtrans-67.7-22.6176.9-62.7-177.982.600113.3E9E9-E11 PolarHBondContact O-N 3.46Å; E9-E11 VanDerWaalsContact O-N 3.11Å
12D92.5Very high85.1Confident100 Ų10089 Ų8954%0.53545%0.448SS..G310 helixtrans-86.7-12.1174.9-154.5-124.7000111.6I8 E9 I10 Y24I8-D12 HydrophobicContact CG2-CB 4.24Å; E9-D12 WeakPolarHBondContact O-CB 3.12Å; E9-D12 PolarHBondContact O-N 2.91Å; I10-D12 VanDerWaalsContact C-N 3.26Å; I10-D12 PolarHBondContact O-N 3.18Å; D12-Y24 HydrophobicContact CB-CE2 4.16Å; D12-Y24 WeakPolarHBondContact O-CE2 3.45Å; D12-Y24 WeakPolarHBondContact OD1-CE2 3.44Å; D12-Y24 VanDerWaalsContact OD1-CZ 3.3Å; D12-Y24 PolarHBondContact OD1-OH 2.6Å
13M92.8Very high87.1Confident12 Ų1284.5 Ų84.56%0.05942%0.417CS..SBendtrans-85.3145.8176-57.4-172.17700111.7I8 I10 Y15 Y22 Y24 I34 A46 V57I8-M13 HydrophobicContact CG2-CG 3.97Å; I10-M13 HydrophobicContact CD1-SD 4.09Å; I10-M13 WeakPolarHBondContact O-CB 3.35Å; I10-M13 PolarHBondContact O-N 3.19Å; I10-M13 VanDerWaalsContact O-N 3.14Å; M13-Y15 PolarHBondContact O-N 2.74Å; M13-Y22 HydrophobicContact CB-CD1 4.19Å; M13-Y24 HydrophobicContact CB-CD2 4.47Å; M13-Y24 HydrophobicContact CG-CD2 3.93Å; M13-Y24 HydrophobicContact CG-CG 4.46Å; M13-I34 HydrophobicContact CE-CG2 3.91Å; M13-I34 HydrophobicContact SD-CG2 4.36Å; M13-A46 HydrophobicContact CE-CB 4.16Å; M13-V57 HydrophobicContact CE-CG2 4.27Å; M13-V57 HydrophobicContact SD-CB 4.3Å; M13-V57 HydrophobicContact SD-CG1 3.61Å; M13-V57 HydrophobicContact SD-CG2 3.65Å
14E94.5Very high88.9Confident125 Ų12581.4 Ų81.458%0.58439%0.393SS*.EExtended strand (participates in β ladder)trans-83.7117.5173.2-72-170.883.100110Y22 S23 R31E14-Y22 CarbonylContact O-C 3.49Å; E14-Y22 WeakPolarHBondContact O-CA 3.46Å; E14-S23 PolarHBondContact N-O 2.8Å; E14-S23 PolarHBondContact O-N 3.27Å; E14-S23 PolarHBondContact O-OG 3.02Å; E14-R31 IonicContact OE2-CZ 3.66Å; E14-R31 IonicContact OE2-NH2 2.6Å; E14-R31 PolarHBondContact OE2-NH2 2.8Å
15Y91.8Very high90.3Very high83 Ų8380.3 Ų80.333%0.32540%0.396SS..EExtended strand (participates in β ladder)trans-85.8125.9176.1-178-118.5000111.6M13 E17 Y22 K36M13-Y15 PolarHBondContact O-N 2.74Å; Y15-E17 HydrophobicContact CD1-CG 3.9Å; Y15-E17 HydrophobicContact CE1-CB 4.36Å; Y15-E17 HydrophobicContact CE1-CG 3.49Å; Y15-E17 VanDerWaalsContact CE1-CG 3.49Å; Y15-Y22 AromaticContact CD2-CD1 3.8Å; Y15-Y22 HydrophobicContact CD2-CD1 3.8Å; Y15-Y22 AromaticContact CD2-CD2 3.88Å; Y15-Y22 HydrophobicContact CD2-CD2 3.88Å; Y15-Y22 AromaticContact CD2-CE1 3.46Å; Y15-Y22 HydrophobicContact CD2-CE1 3.46Å; Y15-Y22 VanDerWaalsContact CD2-CE1 3.46Å; Y15-Y22 AromaticContact CD2-CE2 3.53Å; Y15-Y22 HydrophobicContact CD2-CE2 3.53Å; Y15-Y22 HydrophobicContact CD2-CG 4Å; Y15-Y22 AromaticContact CD2-CZ 3.31Å; Y15-Y22 HydrophobicContact CE2-CD2 4.33Å; Y15-Y22 HydrophobicContact CE2-CE1 4.4Å; Y15-Y22 AromaticContact CE2-CE2 3.76Å; Y15-Y22 HydrophobicContact CE2-CE2 3.76Å; Y15-Y22 AromaticContact CE2-CZ 3.81Å; Y15-Y22 HydrophobicContact CG-CD1 4.24Å; Y15-Y22 AromaticContact CG-CE1 3.79Å; Y15-Y22 HydrophobicContact CG-CE1 3.79Å; Y15-Y22 AromaticContact CG-CZ 3.98Å; Y15-K36 HydrophobicContact CE2-CB 4.39Å; Y15-K36 HydrophobicContact CE2-CD 4.23Å
16D91.8Very high91.3Very high71 Ų7176.4 Ų76.438%0.3838%0.379SS..EExtended strand (participates in β ladder)trans-99.5113.6172.2-170.8-93.2000109.9E18 S19 E20 T21D16-E18 PolarHBondContact OD1-N 2.91Å; D16-S19 WeakPolarHBondContact OD1-CB 3.16Å; D16-S19 PolarHBondContact OD1-N 2.82Å; D16-E20 WeakPolarHBondContact O-CA 3.42Å; D16-E20 PolarHBondContact O-N 2.97Å; D16-T21 WeakPolarHBondContact CB-O 3.43Å; D16-T21 PolarHBondContact N-O 2.12Å; D16-T21 PolarHBondContact O-N 3.3Å; D16-T21 VanDerWaalsContact O-N 3.15Å
17E86.5Confident91.6Very high164 Ų16476.7 Ų76.777%0.76639%0.386SS*.THydrogen-bonded Turntrans-70.6-27.5179.7-82178.687.800113.3Y15Y15-E17 HydrophobicContact CD1-CG 3.9Å; Y15-E17 HydrophobicContact CE1-CB 4.36Å; Y15-E17 HydrophobicContact CE1-CG 3.49Å; Y15-E17 VanDerWaalsContact CE1-CG 3.49Å
18E88.1Confident91.5Very high194 Ų19473.5 Ų73.591%0.90738%0.377SS*.THydrogen-bonded Turntrans-72.1-39.8-180-83.2-171.275.500112.1D16D16-E18 PolarHBondContact OD1-N 2.91Å
19S90Very high91.4Very high75 Ų7576.4 Ų76.452%0.52441%0.41SS..THydrogen-bonded Turntrans-102.70.4-179.3-169.80000113.3D16 T21D16-S19 WeakPolarHBondContact OD1-CB 3.16Å; D16-S19 PolarHBondContact OD1-N 2.82Å; S19-T21 PolarHBondContact O-N 3.18Å; S19-T21 VanDerWaalsContact O-N 3.13Å; S19-T21 PolarHBondContact O-OG1 3.45Å; S19-T21 PolarHBondContact OG-OG1 3.22Å
20E89.9Confident91.3Very high84 Ų8473.8 Ų73.839%0.39340%0.4SS..THydrogen-bonded Turntrans44.444.1-171.8-61.1-172.489.100112.3D16 K36D16-E20 WeakPolarHBondContact O-CA 3.42Å; D16-E20 PolarHBondContact O-N 2.97Å; E20-K36 HydrophobicContact CB-CB 4.24Å; E20-K36 WeakPolarHBondContact O-CB 3.42Å; E20-K36 PolarHBondContact O-N 3.37Å
21T93Very high91.4Very high15 Ų1577.5 Ų77.59%0.09241%0.414CS..EExtended strand (participates in β ladder)trans-126.6130.6-170.1-63.60000110.6D16 S19 L33 I34D16-T21 WeakPolarHBondContact CB-O 3.43Å; D16-T21 PolarHBondContact N-O 2.12Å; D16-T21 PolarHBondContact O-N 3.3Å; D16-T21 VanDerWaalsContact O-N 3.15Å; S19-T21 PolarHBondContact O-N 3.18Å; S19-T21 VanDerWaalsContact O-N 3.13Å; S19-T21 PolarHBondContact O-OG1 3.45Å; S19-T21 PolarHBondContact OG-OG1 3.22Å; T21-L33 HydrophobicContact CG2-CB 4.27Å; T21-L33 HydrophobicContact CG2-CD2 4.17Å; T21-I34 CarbonylContact C-O 3.5Å; T21-I34 WeakPolarHBondContact CA-O 3.15Å; T21-I34 WeakPolarHBondContact CG2-O 3.35Å
22Y93.9Very high91.5Very high15 Ų1570.6 Ų70.66%0.05938%0.382CS..EExtended strand (participates in β ladder)trans-87.4134.3171.7-64.4-92.5000110I10 M13 E14 Y15 L33 I34 K36 L39 I64I10-Y22 HydrophobicContact CD1-CD1 3.4Å; I10-Y22 HydrophobicContact CD1-CD2 3.78Å; I10-Y22 HydrophobicContact CD1-CE1 3.59Å; I10-Y22 HydrophobicContact CD1-CE2 3.96Å; I10-Y22 HydrophobicContact CD1-CG 3.48Å; I10-Y22 VanDerWaalsContact CD1-CG 3.48Å; I10-Y22 HydrophobicContact CG1-CD1 3.84Å; I10-Y22 HydrophobicContact CG1-CE1 3.55Å; I10-Y22 HydrophobicContact CG1-CE2 4.45Å; I10-Y22 HydrophobicContact CG1-CG 4.38Å; M13-Y22 HydrophobicContact CB-CD1 4.19Å; E14-Y22 CarbonylContact O-C 3.49Å; E14-Y22 WeakPolarHBondContact O-CA 3.46Å; Y15-Y22 AromaticContact CD2-CD1 3.8Å; Y15-Y22 HydrophobicContact CD2-CD1 3.8Å; Y15-Y22 AromaticContact CD2-CD2 3.88Å; Y15-Y22 HydrophobicContact CD2-CD2 3.88Å; Y15-Y22 AromaticContact CD2-CE1 3.46Å; Y15-Y22 HydrophobicContact CD2-CE1 3.46Å; Y15-Y22 VanDerWaalsContact CD2-CE1 3.46Å; Y15-Y22 AromaticContact CD2-CE2 3.53Å; Y15-Y22 HydrophobicContact CD2-CE2 3.53Å; Y15-Y22 HydrophobicContact CD2-CG 4Å; Y15-Y22 AromaticContact CD2-CZ 3.31Å; Y15-Y22 HydrophobicContact CE2-CD2 4.33Å; Y15-Y22 HydrophobicContact CE2-CE1 4.4Å; Y15-Y22 AromaticContact CE2-CE2 3.76Å; Y15-Y22 HydrophobicContact CE2-CE2 3.76Å; Y15-Y22 AromaticContact CE2-CZ 3.81Å; Y15-Y22 HydrophobicContact CG-CD1 4.24Å; Y15-Y22 AromaticContact CG-CE1 3.79Å; Y15-Y22 HydrophobicContact CG-CE1 3.79Å; Y15-Y22 AromaticContact CG-CZ 3.98Å; Y22-L33 WeakPolarHBondContact O-CA 3.43Å; Y22-I34 PolarHBondContact N-O 3.08Å; Y22-I34 PolarHBondContact O-N 3.14Å; Y22-K36 HydrophobicContact CE2-CB 4.05Å; Y22-K36 HydrophobicContact CE2-CG 4.31Å; Y22-L39 HydrophobicContact CD2-CD1 3.53Å; Y22-L39 HydrophobicContact CE2-CD1 3.61Å; Y22-L39 HydrophobicContact CG-CD1 4.39Å; Y22-I64 HydrophobicContact CE2-CG2 4.4Å
23S94.5Very high91.6Very high10 Ų1069.6 Ų69.67%0.0738%0.376CS..EExtended strand (participates in β ladder)trans-128137.8-176.664.20000111.9E14 R31 F32E14-S23 PolarHBondContact N-O 2.8Å; E14-S23 PolarHBondContact O-N 3.27Å; E14-S23 PolarHBondContact O-OG 3.02Å; S23-R31 PolarHBondContact OG-NH1 3.14Å; S23-R31 PolarHBondContact OG-NH2 2.97Å; S23-F32 CarbonylContact C-O 3.4Å; S23-F32 WeakPolarHBondContact CA-O 3.44Å
24Y94.2Very high91.6Very high53 Ų5369.2 Ų69.221%0.20837%0.374CS..EExtended strand (participates in β ladder)trans-136.4137.6-179.3-163.1-97.1000111.6I8 D12 M13 C26 R31 F32I8-Y24 HydrophobicContact CD1-CD1 3.47Å; I8-Y24 VanDerWaalsContact CD1-CD1 3.47Å; I8-Y24 HydrophobicContact CD1-CE1 3.52Å; I8-Y24 HydrophobicContact CD1-CG 3.98Å; I8-Y24 HydrophobicContact CG1-CE1 4.25Å; I8-Y24 HydrophobicContact CG2-CD2 3.88Å; I8-Y24 HydrophobicContact CG2-CE1 4.49Å; I8-Y24 HydrophobicContact CG2-CE2 3.72Å; I8-Y24 HydrophobicContact CG2-CG 4.33Å; D12-Y24 HydrophobicContact CB-CE2 4.16Å; D12-Y24 WeakPolarHBondContact O-CE2 3.45Å; D12-Y24 WeakPolarHBondContact OD1-CE2 3.44Å; D12-Y24 VanDerWaalsContact OD1-CZ 3.3Å; D12-Y24 PolarHBondContact OD1-OH 2.6Å; M13-Y24 HydrophobicContact CB-CD2 4.47Å; M13-Y24 HydrophobicContact CG-CD2 3.93Å; M13-Y24 HydrophobicContact CG-CG 4.46Å; Y24-C26 PolarHBondContact O-N 3.33Å; Y24-R31 CarbonylContact O-C 3.57Å; Y24-R31 WeakPolarHBondContact O-CA 3.14Å; Y24-R31 WeakPolarHBondContact O-CB 3.45Å; Y24-F32 HydrophobicContact CD1-CD2 4.27Å; Y24-F32 PolarHBondContact N-O 2.79Å; Y24-F32 PolarHBondContact O-N 2.91Å
25P92.7Very high91.5Very high79 Ų7966 Ų6651%0.51336%0.363SS..EExtended strand (participates in β ladder)trans-59.3119.4-179.523.4-33.8000112.8
26C90.8Very high91.5Very high6 Ų663.1 Ų63.14%0.04135%0.352CS..  trans-81.4138.1166.9176.70000108.6Y24 C28 G29 D30 F32 C48 C51Y24-C26 PolarHBondContact O-N 3.33Å; C26-C28 PolarHBondContact O-N 2.88Å; C26-C28 PolarHBondContact SG-N 2.76Å; C26-C28 PolarHBondContact SG-SG 3.13Å; C26-G29 PolarHBondContact O-N 2.76Å; C26-D30 PolarHBondContact N-O 3.15Å; C26-F32 HydrophobicContact CB-CD2 3.92Å; C26-F32 HydrophobicContact CB-CE1 4.45Å; C26-F32 HydrophobicContact CB-CE2 3.55Å; C26-F32 HydrophobicContact CB-CZ 3.83Å; C26-C48 HydrophobicContact CB-CB 4.12Å; C26-C51 WeakPolarHBondContact CB-SG 3.32Å; C26-C51 WeakPolarHBondContact SG-CB 3.4Å; C26-C51 CovalentContact SG-SG 2.12Å; C26-C51 PolarHBondContact SG-SG 3.42Å
27P87.3Confident91.4Very high100 Ų10066.6 Ų66.665%0.64937%0.366SS*.THydrogen-bonded Turntrans-58.4-11.3174.423.1-35.3000114.7G29 L53P27-G29 VanDerWaalsContact C-N 3.29Å; P27-L53 HydrophobicContact CG-CD1 4.43Å
28C89.6Confident91.6Very high61 Ų6161.5 Ų61.541%0.41234%0.344SS..THydrogen-bonded Turntrans-74.7-13.4173.177.70000114.9C26 D30 C51C26-C28 PolarHBondContact O-N 2.88Å; C26-C28 PolarHBondContact SG-N 2.76Å; C26-C28 PolarHBondContact SG-SG 3.13Å; C28-D30 PolarHBondContact SG-N 2.89Å; C28-D30 VanDerWaalsContact SG-N 3.38Å; C28-C51 HydrophobicContact CB-CB 3.48Å; C28-C51 VanDerWaalsContact CB-CB 3.48Å; C28-C51 WeakPolarHBondContact SG-CB 3.43Å
29G88.7Confident91.7Very high76 Ų7652.3 Ų52.378%0.78430%0.301SS*.SBendtrans102.1-1.3-174.900000115.3C26 P27C26-G29 PolarHBondContact O-N 2.76Å; P27-G29 VanDerWaalsContact C-N 3.29Å
30D92.5Very high91.6Very high70 Ų7052.2 Ų52.237%0.37429%0.294SS..SBendtrans-106.4-162.7172-148.3-75.2000110.2C26 C28C26-D30 PolarHBondContact N-O 3.15Å; C28-D30 PolarHBondContact SG-N 2.89Å; C28-D30 VanDerWaalsContact SG-N 3.38Å
31R93.1Very high91.6Very high85 Ų8553.5 Ų53.532%0.32131%0.311SS..EExtended strand (participates in β ladder)trans-128.1141.2179.8-50.2-175.581.7-1788.5111.6E14 S23 Y24 P49E14-R31 IonicContact OE2-CZ 3.66Å; E14-R31 IonicContact OE2-NH2 2.6Å; E14-R31 PolarHBondContact OE2-NH2 2.8Å; S23-R31 PolarHBondContact OG-NH1 3.14Å; S23-R31 PolarHBondContact OG-NH2 2.97Å; Y24-R31 CarbonylContact O-C 3.57Å; Y24-R31 WeakPolarHBondContact O-CA 3.14Å; Y24-R31 WeakPolarHBondContact O-CB 3.45Å; R31-P49 WeakPolarHBondContact O-CD 3.21Å
32F93.5Very high91.3Very high4 Ų454.9 Ų54.92%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-65.8140.7160.1-61.6-78.2000108.6S23 Y24 C26 A46 C48 L53 V55S23-F32 CarbonylContact C-O 3.4Å; S23-F32 WeakPolarHBondContact CA-O 3.44Å; Y24-F32 HydrophobicContact CD1-CD2 4.27Å; Y24-F32 PolarHBondContact N-O 2.79Å; Y24-F32 PolarHBondContact O-N 2.91Å; C26-F32 HydrophobicContact CB-CD2 3.92Å; C26-F32 HydrophobicContact CB-CE1 4.45Å; C26-F32 HydrophobicContact CB-CE2 3.55Å; C26-F32 HydrophobicContact CB-CZ 3.83Å; F32-A46 HydrophobicContact CB-CB 4.03Å; F32-C48 HydrophobicContact CD1-CB 3.61Å; F32-C48 HydrophobicContact CE1-CB 3.71Å; F32-C48 HydrophobicContact CG-CB 4.27Å; F32-C48 HydrophobicContact CZ-CB 4.47Å; F32-L53 HydrophobicContact CE1-CB 3.66Å; F32-L53 WeakPolarHBondContact CE1-O 3.43Å; F32-L53 HydrophobicContact CZ-CB 3.83Å; F32-L53 HydrophobicContact CZ-CD1 4.47Å; F32-V55 HydrophobicContact CB-CG2 4.09Å; F32-V55 HydrophobicContact CD1-CG1 4.25Å; F32-V55 HydrophobicContact CD1-CG2 3.86Å; F32-V55 HydrophobicContact CD2-CG1 4.16Å; F32-V55 HydrophobicContact CD2-CG2 4.07Å; F32-V55 HydrophobicContact CE1-CG1 3.87Å; F32-V55 HydrophobicContact CE1-CG2 4.32Å; F32-V55 HydrophobicContact CE2-CG1 3.72Å; F32-V55 HydrophobicContact CE2-CG2 4.47Å; F32-V55 HydrophobicContact CG-CG1 4.4Å; F32-V55 HydrophobicContact CG-CG2 3.74Å; F32-V55 HydrophobicContact CZ-CG1 3.59Å
33L94.2Very high91.2Very high79 Ų7957.9 Ų57.941%0.41435%0.346SS..EExtended strand (participates in β ladder)trans-129.9138-179.5-60.5169.4000108.4T21 Y22 R47 P49T21-L33 HydrophobicContact CG2-CB 4.27Å; T21-L33 HydrophobicContact CG2-CD2 4.17Å; Y22-L33 WeakPolarHBondContact O-CA 3.43Å; L33-R47 PolarHBondContact N-O 2.99Å; L33-R47 PolarHBondContact O-N 3.17Å; L33-P49 HydrophobicContact CD1-CG 4.48Å
34I93.5Very high91Very high5 Ų558.9 Ų58.93%0.02635%0.351CS..EExtended strand (participates in β ladder)trans-149133.9170.7-170.2162.7000109.4M13 T21 Y22 D38 L39 D43 A46 V57M13-I34 HydrophobicContact CE-CG2 3.91Å; M13-I34 HydrophobicContact SD-CG2 4.36Å; T21-I34 CarbonylContact C-O 3.5Å; T21-I34 WeakPolarHBondContact CA-O 3.15Å; T21-I34 WeakPolarHBondContact CG2-O 3.35Å; Y22-I34 PolarHBondContact N-O 3.08Å; Y22-I34 PolarHBondContact O-N 3.14Å; I34-D38 HydrophobicContact CG1-CB 3.96Å; I34-L39 HydrophobicContact CD1-CD2 3.59Å; I34-L39 HydrophobicContact CD1-CG 4Å; I34-L39 HydrophobicContact CG1-CD2 4.26Å; I34-L39 HydrophobicContact CG1-CG 4.14Å; I34-L39 HydrophobicContact CG2-CD1 4.38Å; I34-D43 WeakPolarHBondContact CD1-O 3.42Å; I34-A46 HydrophobicContact CB-CB 3.75Å; I34-A46 HydrophobicContact CD1-CB 4.36Å; I34-A46 HydrophobicContact CG2-CB 3.94Å; I34-V57 HydrophobicContact CD1-CG2 4.31Å; I34-V57 HydrophobicContact CG2-CG2 4.27Å
35T92.8Very high90.9Very high57 Ų5758.5 Ų58.535%0.3535%0.352SS..EExtended strand (participates in β ladder)trans-82151.4179.170.70000110E37 D38 L39T35-E37 PolarHBondContact O-N 3.48Å; T35-D38 VanDerWaalsContact O-CB 3.26Å; T35-D38 WeakPolarHBondContact O-CB 3.47Å; T35-D38 PolarHBondContact O-N 2.93Å; T35-D38 VanDerWaalsContact O-N 3.14Å; T35-D38 WeakPolarHBondContact OG1-CB 3.43Å; T35-D38 PolarHBondContact OG1-N 3.44Å; T35-D38 VanDerWaalsContact OG1-N 3.17Å; T35-L39 PolarHBondContact O-N 3.22Å
36K90.3Very high90.9Very high23 Ų2354.8 Ų54.810%0.133%0.327CS..Hα-helixtrans-59.4-36.3173.1-176.1-176.7179.7-176.80111.8Y15 E20 Y22 D38 L39 L40 I64Y15-K36 HydrophobicContact CE2-CB 4.39Å; Y15-K36 HydrophobicContact CE2-CD 4.23Å; E20-K36 HydrophobicContact CB-CB 4.24Å; E20-K36 WeakPolarHBondContact O-CB 3.42Å; E20-K36 PolarHBondContact O-N 3.37Å; Y22-K36 HydrophobicContact CE2-CB 4.05Å; Y22-K36 HydrophobicContact CE2-CG 4.31Å; K36-D38 VanDerWaalsContact C-N 3.32Å; K36-D38 PolarHBondContact O-N 3.32Å; K36-L39 PolarHBondContact O-N 3.46Å; K36-L40 HydrophobicContact CG-CD1 4.23Å; K36-L40 VanDerWaalsContact O-CG 3.3Å; K36-L40 WeakPolarHBondContact O-CG 3.3Å; K36-L40 PolarHBondContact O-N 3.42Å; K36-I64 WeakPolarHBondContact CE-O 3.26Å; K36-I64 PolarHBondContact NZ-O 2.97Å
37E90.2Very high90.9Very high144 Ų14460.7 Ų60.767%0.67335%0.349SS*.Hα-helixtrans-61.1-40.4174.6-67.1-167.692.500112.2T35 L40 C41T35-E37 PolarHBondContact O-N 3.48Å; E37-L40 PolarHBondContact O-N 3.24Å; E37-C41 WeakPolarHBondContact O-CB 3.43Å; E37-C41 PolarHBondContact O-N 3.04Å
38D90.9Very high91.2Very high57 Ų5755.9 Ų55.931%0.30532%0.318SS..Hα-helixtrans-60.2-48.2176.8-146.6-136.9000110.5I34 T35 K36 L40 C41 G42 D43I34-D38 HydrophobicContact CG1-CB 3.96Å; T35-D38 VanDerWaalsContact O-CB 3.26Å; T35-D38 WeakPolarHBondContact O-CB 3.47Å; T35-D38 PolarHBondContact O-N 2.93Å; T35-D38 VanDerWaalsContact O-N 3.14Å; T35-D38 WeakPolarHBondContact OG1-CB 3.43Å; T35-D38 PolarHBondContact OG1-N 3.44Å; T35-D38 VanDerWaalsContact OG1-N 3.17Å; K36-D38 VanDerWaalsContact C-N 3.32Å; K36-D38 PolarHBondContact O-N 3.32Å; D38-L40 VanDerWaalsContact C-N 3.35Å; D38-L40 PolarHBondContact O-N 2.92Å; D38-C41 WeakPolarHBondContact O-CA 3.47Å; D38-C41 WeakPolarHBondContact O-CB 3.38Å; D38-C41 PolarHBondContact O-N 3.49Å; D38-G42 PolarHBondContact O-N 3.14Å; D38-D43 CarbonylContact C-O 3.55Å; D38-D43 HydrophobicContact CB-CB 4.33Å; D38-D43 VanDerWaalsContact CG-CB 3.47Å; D38-D43 WeakPolarHBondContact O-CB 3.06Å; D38-D43 PolarHBondContact O-N 2.68Å; D38-D43 WeakPolarHBondContact OD1-CB 2.86Å
39L90.3Very high91.2Very high0 Ų057 Ų570%033%0.325CS..Hα-helixtrans-59.6-44.1174.7-64.8169000111.4I10 Y22 I34 T35 K36 C41 G42 D43 V57 Y59 I64I10-L39 HydrophobicContact CD1-CD1 3.5Å; I10-L39 VanDerWaalsContact CD1-CD1 3.5Å; I10-L39 HydrophobicContact CG1-CD1 4.49Å; Y22-L39 HydrophobicContact CD2-CD1 3.53Å; Y22-L39 HydrophobicContact CE2-CD1 3.61Å; Y22-L39 HydrophobicContact CG-CD1 4.39Å; I34-L39 HydrophobicContact CD1-CD2 3.59Å; I34-L39 HydrophobicContact CD1-CG 4Å; I34-L39 HydrophobicContact CG1-CD2 4.26Å; I34-L39 HydrophobicContact CG1-CG 4.14Å; I34-L39 HydrophobicContact CG2-CD1 4.38Å; T35-L39 PolarHBondContact O-N 3.22Å; K36-L39 PolarHBondContact O-N 3.46Å; L39-C41 PolarHBondContact O-N 2.79Å; L39-G42 PolarHBondContact O-N 3.05Å; L39-D43 WeakPolarHBondContact CA-O 3.31Å; L39-D43 PolarHBondContact N-O 2.77Å; L39-V57 HydrophobicContact CD2-CB 4.17Å; L39-V57 HydrophobicContact CD2-CG1 4.1Å; L39-Y59 HydrophobicContact CB-CE1 4.38Å; L39-Y59 HydrophobicContact CD2-CD1 3.51Å; L39-Y59 HydrophobicContact CD2-CE1 3.75Å; L39-Y59 HydrophobicContact CD2-CG 4.12Å; L39-Y59 VanDerWaalsContact O-CZ 3.25Å; L39-Y59 PolarHBondContact O-OH 2.94Å; L39-I64 HydrophobicContact CB-CD1 4.18Å; L39-I64 HydrophobicContact CD1-CG2 4.12Å
40L87.2Confident91.1Very high73 Ų7357.1 Ų57.138%0.38231%0.313SS..Hα-helixtrans-63.6-29.9176.5-72.9166.4000112.7K36 E37 D38 G42 I64K36-L40 HydrophobicContact CG-CD1 4.23Å; K36-L40 VanDerWaalsContact O-CG 3.3Å; K36-L40 WeakPolarHBondContact O-CG 3.3Å; K36-L40 PolarHBondContact O-N 3.42Å; E37-L40 PolarHBondContact O-N 3.24Å; D38-L40 VanDerWaalsContact C-N 3.35Å; D38-L40 PolarHBondContact O-N 2.92Å; L40-G42 PolarHBondContact O-N 2.98Å; L40-I64 HydrophobicContact CD2-CD1 3.55Å; L40-I64 HydrophobicContact CD2-CG1 4.02Å; L40-I64 HydrophobicContact CG-CD1 3.92Å
41C89.6Confident90.7Very high111 Ų11155.3 Ų55.375%0.7531%0.305SS*.THydrogen-bonded Turntrans-76.6-8.8174.8-164.70000112.7E37 D38 L39E37-C41 WeakPolarHBondContact O-CB 3.43Å; E37-C41 PolarHBondContact O-N 3.04Å; D38-C41 WeakPolarHBondContact O-CA 3.47Å; D38-C41 WeakPolarHBondContact O-CB 3.38Å; D38-C41 PolarHBondContact O-N 3.49Å; L39-C41 PolarHBondContact O-N 2.79Å
42G87.4Confident90.1Very high45 Ų4554.8 Ų54.846%0.46432%0.315SS..THydrogen-bonded Turntrans89.911.2-175.400000113.8D38 L39 L40D38-G42 PolarHBondContact O-N 3.14Å; L39-G42 PolarHBondContact O-N 3.05Å; L40-G42 PolarHBondContact O-N 2.98Å
43D91.4Very high89.8Confident78 Ų7857 Ų5742%0.41733%0.326SS..  trans-87.9109.4173.3-138.4-61.3000108.2I34 D38 L39I34-D43 WeakPolarHBondContact CD1-O 3.42Å; D38-D43 CarbonylContact C-O 3.55Å; D38-D43 HydrophobicContact CB-CB 4.33Å; D38-D43 VanDerWaalsContact CG-CB 3.47Å; D38-D43 WeakPolarHBondContact O-CB 3.06Å; D38-D43 PolarHBondContact O-N 2.68Å; D38-D43 WeakPolarHBondContact OD1-CB 2.86Å; L39-D43 WeakPolarHBondContact CA-O 3.31Å; L39-D43 PolarHBondContact N-O 2.77Å
44D91.9Very high89.6Confident31 Ų3156.9 Ų56.917%0.16632%0.321CS..  trans-102.818-17465.4-121.6000112.6R56 V57 Y59D44-R56 CarbonylContact O-C 3.56Å; D44-R56 WeakPolarHBondContact O-CA 3.49Å; D44-R56 IonicContact OD1-CZ 3.93Å; D44-R56 IonicContact OD1-NE 3.69Å; D44-R56 IonicContact OD1-NH2 3.23Å; D44-R56 PolarHBondContact OD1-NH2 3.33Å; D44-R56 WeakPolarHBondContact OD2-CD 3.44Å; D44-R56 WeakPolarHBondContact OD2-CG 3.45Å; D44-R56 IonicContact OD2-CZ 3.66Å; D44-R56 IonicContact OD2-NE 2.77Å; D44-R56 PolarHBondContact OD2-NE 3.44Å; D44-R56 IonicContact OD2-NH2 3.7Å; D44-V57 PolarHBondContact O-N 2.77Å; D44-Y59 HydrophobicContact CB-CD1 4.38Å; D44-Y59 HydrophobicContact CB-CE1 3.86Å
45I92Very high89.5Confident45 Ų4556.8 Ų56.823%0.23132%0.321CS..EExtended strand (participates in β ladder)trans-11098.6-168.8-53-49.9000111.6F4 Y54 R56F4-I45 HydrophobicContact CD1-CD1 4.41Å; F4-I45 HydrophobicContact CE1-CD1 3.52Å; F4-I45 HydrophobicContact CE1-CG1 4.39Å; F4-I45 HydrophobicContact CE1-CG2 4.31Å; F4-I45 HydrophobicContact CZ-CD1 3.99Å; I45-Y54 HydrophobicContact CG2-CD1 3.72Å; I45-Y54 HydrophobicContact CG2-CG 4.24Å; I45-R56 HydrophobicContact CD1-CG 4.14Å
46A92.5Very high89.5Confident0 Ų058.8 Ų58.80%032%0.322CS..EExtended strand (participates in β ladder)trans-79.8132.3174.500000110.7M13 F32 I34 Y54 V55 V57M13-A46 HydrophobicContact CE-CB 4.16Å; F32-A46 HydrophobicContact CB-CB 4.03Å; I34-A46 HydrophobicContact CB-CB 3.75Å; I34-A46 HydrophobicContact CD1-CB 4.36Å; I34-A46 HydrophobicContact CG2-CB 3.94Å; A46-Y54 WeakPolarHBondContact O-CA 2.94Å; A46-V55 HydrophobicContact CB-CG2 3.73Å; A46-V55 PolarHBondContact N-O 2.95Å; A46-V55 PolarHBondContact O-N 2.85Å; A46-V57 HydrophobicContact CB-CG2 3.67Å
47R91Very high89.7Confident130 Ų13057.8 Ų57.849%0.49132%0.318SS..EExtended strand (participates in β ladder)trans-115140.4-176.2-177.2-176.9175.1174.1-2.3110.6L33 Y54L33-R47 PolarHBondContact N-O 2.99Å; L33-R47 PolarHBondContact O-N 3.17Å; R47-Y54 HydrophobicContact CB-CD1 4.06Å; R47-Y54 HydrophobicContact CB-CE1 4.07Å; R47-Y54 HydrophobicContact CG-CD1 4.03Å; R47-Y54 HydrophobicContact CG-CE1 3.65Å
48C92.1Very high89.8Confident0 Ų054.3 Ų54.30%030%0.303CS..  trans-93.4130.7168.2177.40000111C26 F32 S50 C51 L53C26-C48 HydrophobicContact CB-CB 4.12Å; F32-C48 HydrophobicContact CD1-CB 3.61Å; F32-C48 HydrophobicContact CE1-CB 3.71Å; F32-C48 HydrophobicContact CG-CB 4.27Å; F32-C48 HydrophobicContact CZ-CB 4.47Å; C48-S50 VanDerWaalsContact C-N 3.26Å; C48-S50 PolarHBondContact O-N 3.07Å; C48-S50 PolarHBondContact SG-N 2.89Å; C48-S50 VanDerWaalsContact SG-N 3.44Å; C48-C51 WeakPolarHBondContact CB-SG 3.42Å; C48-C51 PolarHBondContact SG-N 3.46Å; C48-C51 PolarHBondContact SG-SG 3.24Å; C48-L53 PolarHBondContact N-O 3.36Å
49P89.5Confident89.9Confident85 Ų8554.7 Ų54.755%0.55230%0.301SS*.THydrogen-bonded Turntrans-67.5-25.8179.927.3-34.2000113.1R31 L33R31-P49 WeakPolarHBondContact O-CD 3.21Å; L33-P49 HydrophobicContact CD1-CG 4.48Å
50S87.7Confident89.8Confident78 Ų7858.7 Ų58.755%0.54532%0.322SS..THydrogen-bonded Turntrans-91.9-49.7-177.7178.40000113C48C48-S50 VanDerWaalsContact C-N 3.26Å; C48-S50 PolarHBondContact O-N 3.07Å; C48-S50 PolarHBondContact SG-N 2.89Å; C48-S50 VanDerWaalsContact SG-N 3.44Å
51C83.8Confident89.5Confident31 Ų3161.6 Ų61.621%0.20934%0.335CS..THydrogen-bonded Turntrans-91.8-4.9-167.160.30000115.1C26 C28 C48 L53C26-C51 WeakPolarHBondContact CB-SG 3.32Å; C26-C51 WeakPolarHBondContact SG-CB 3.4Å; C26-C51 CovalentContact SG-SG 2.12Å; C26-C51 PolarHBondContact SG-SG 3.42Å; C28-C51 HydrophobicContact CB-CB 3.48Å; C28-C51 VanDerWaalsContact CB-CB 3.48Å; C28-C51 WeakPolarHBondContact SG-CB 3.43Å; C48-C51 WeakPolarHBondContact CB-SG 3.42Å; C48-C51 PolarHBondContact SG-N 3.46Å; C48-C51 PolarHBondContact SG-SG 3.24Å; C51-L53 HydrophobicContact CB-CD1 4.14Å; C51-L53 HydrophobicContact CB-CG 4.11Å; C51-L53 PolarHBondContact O-N 2.9Å
52S79.7Confident89.1Confident74 Ų7464.6 Ų64.652%0.51734%0.338SS..  trans50.317.2-173.1-59.40000114.4Y54S52-Y54 WeakPolarHBondContact O-CD2 3.49Å; S52-Y54 WeakPolarHBondContact O-CE2 3.44Å
53L88.4Confident88.8Confident50 Ų5065.8 Ų65.826%0.26233%0.334SS..  trans-81.1154.6172.5-67.8177000109H5 P27 F32 C48 C51H5-L53 VanDerWaalsContact CD2-CD1 3.44Å; H5-L53 WeakPolarHBondContact CD2-CD1 3.47Å; P27-L53 HydrophobicContact CG-CD1 4.43Å; F32-L53 HydrophobicContact CE1-CB 3.66Å; F32-L53 WeakPolarHBondContact CE1-O 3.43Å; F32-L53 HydrophobicContact CZ-CB 3.83Å; F32-L53 HydrophobicContact CZ-CD1 4.47Å; C48-L53 PolarHBondContact N-O 3.36Å; C51-L53 HydrophobicContact CB-CD1 4.14Å; C51-L53 HydrophobicContact CB-CG 4.11Å; C51-L53 PolarHBondContact O-N 2.9Å
54Y90.3Very high88.2Confident78 Ų7862.2 Ų62.231%0.30632%0.315SS..EExtended strand (participates in β ladder)trans-128.5137.3176.4-55.9-88.7000108.1H5 I45 A46 R47 S52H5-Y54 PolarHBondContact N-O 2.74Å; I45-Y54 HydrophobicContact CG2-CD1 3.72Å; I45-Y54 HydrophobicContact CG2-CG 4.24Å; A46-Y54 WeakPolarHBondContact O-CA 2.94Å; R47-Y54 HydrophobicContact CB-CD1 4.06Å; R47-Y54 HydrophobicContact CB-CE1 4.07Å; R47-Y54 HydrophobicContact CG-CD1 4.03Å; R47-Y54 HydrophobicContact CG-CE1 3.65Å; S52-Y54 WeakPolarHBondContact O-CD2 3.49Å; S52-Y54 WeakPolarHBondContact O-CE2 3.44Å
55V91.6Very high87.2Confident3 Ų365 Ų652%0.01833%0.33CS..EExtended strand (participates in β ladder)trans-121.3146.7171.4-65.10000108.3H5 D6 I8 F32 A46H5-V55 HydrophobicContact CB-CG1 4.06Å; D6-V55 WeakPolarHBondContact O-CA 3.29Å; I8-V55 HydrophobicContact CD1-CB 3.73Å; I8-V55 HydrophobicContact CD1-CG1 3.81Å; I8-V55 HydrophobicContact CD1-CG2 3.79Å; F32-V55 HydrophobicContact CB-CG2 4.09Å; F32-V55 HydrophobicContact CD1-CG1 4.25Å; F32-V55 HydrophobicContact CD1-CG2 3.86Å; F32-V55 HydrophobicContact CD2-CG1 4.16Å; F32-V55 HydrophobicContact CD2-CG2 4.07Å; F32-V55 HydrophobicContact CE1-CG1 3.87Å; F32-V55 HydrophobicContact CE1-CG2 4.32Å; F32-V55 HydrophobicContact CE2-CG1 3.72Å; F32-V55 HydrophobicContact CE2-CG2 4.47Å; F32-V55 HydrophobicContact CG-CG1 4.4Å; F32-V55 HydrophobicContact CG-CG2 3.74Å; F32-V55 HydrophobicContact CZ-CG1 3.59Å; A46-V55 HydrophobicContact CB-CG2 3.73Å; A46-V55 PolarHBondContact N-O 2.95Å; A46-V55 PolarHBondContact O-N 2.85Å
56R92.7Very high85.8Confident98 Ų9865.7 Ų65.737%0.3734%0.337SS..EExtended strand (participates in β ladder)trans-89.7130.2176.2-156.9-174.4-177.6178.9-5108.9D6 E7 I8 D44 I45D6-R56 PolarHBondContact O-N 2.96Å; E7-R56 CarbonylContact C-O 3.41Å; E7-R56 VanDerWaalsContact CA-O 3.29Å; E7-R56 WeakPolarHBondContact CA-O 3.48Å; E7-R56 HydrophobicContact CB-CB 4.36Å; E7-R56 HydrophobicContact CG-CB 3.96Å; E7-R56 WeakPolarHBondContact OE1-CD 3.48Å; E7-R56 IonicContact OE1-NH1 3.92Å; I8-R56 PolarHBondContact N-O 3.44Å; D44-R56 CarbonylContact O-C 3.56Å; D44-R56 WeakPolarHBondContact O-CA 3.49Å; D44-R56 IonicContact OD1-CZ 3.93Å; D44-R56 IonicContact OD1-NE 3.69Å; D44-R56 IonicContact OD1-NH2 3.23Å; D44-R56 PolarHBondContact OD1-NH2 3.33Å; D44-R56 WeakPolarHBondContact OD2-CD 3.44Å; D44-R56 WeakPolarHBondContact OD2-CG 3.45Å; D44-R56 IonicContact OD2-CZ 3.66Å; D44-R56 IonicContact OD2-NE 2.77Å; D44-R56 PolarHBondContact OD2-NE 3.44Å; D44-R56 IonicContact OD2-NH2 3.7Å; I45-R56 HydrophobicContact CD1-CG 4.14Å
57V92.9Very high84.1Confident2 Ų271.8 Ų71.81%0.01237%0.369CS..EExtended strand (participates in β ladder)trans-99.1115.2-179.5-1750000108.8I8 I10 M13 I34 L39 D44 A46 Y59I8-V57 CarbonylContact O-C 3.55Å; I8-V57 VanDerWaalsContact O-CA 3.31Å; I8-V57 WeakPolarHBondContact O-CA 3.4Å; I10-V57 HydrophobicContact CB-CG1 4.12Å; I10-V57 HydrophobicContact CD1-CG1 3.53Å; I10-V57 HydrophobicContact CG1-CG1 4.44Å; M13-V57 HydrophobicContact CE-CG2 4.27Å; M13-V57 HydrophobicContact SD-CB 4.3Å; M13-V57 HydrophobicContact SD-CG1 3.61Å; M13-V57 HydrophobicContact SD-CG2 3.65Å; I34-V57 HydrophobicContact CD1-CG2 4.31Å; I34-V57 HydrophobicContact CG2-CG2 4.27Å; L39-V57 HydrophobicContact CD2-CB 4.17Å; L39-V57 HydrophobicContact CD2-CG1 4.1Å; D44-V57 PolarHBondContact O-N 2.77Å; A46-V57 HydrophobicContact CB-CG2 3.67Å; V57-Y59 PolarHBondContact O-N 3.23Å
58I93.7Very high82.3Confident72 Ų7272.5 Ų72.537%0.36939%0.388SS..EExtended strand (participates in β ladder)trans-85.7107.5173.9-51.6-55.3000107.1E7 I8 E9 I10E7-I58 HydrophobicContact CB-CD1 4.21Å; E7-I58 HydrophobicContact CB-CG1 4.07Å; I8-I58 PolarHBondContact O-N 3.36Å; E9-I58 CarbonylContact C-O 3.59Å; E9-I58 WeakPolarHBondContact CA-O 3.38Å; E9-I58 HydrophobicContact CG-CB 4.36Å; I10-I58 PolarHBondContact N-O 3.39Å
59Y91.4Very high80.5Confident64 Ų6480.7 Ų80.725%0.25142%0.424SS..  trans-124.5154.3177.270.9-83.4000110.3L39 D44 V57 I64L39-Y59 HydrophobicContact CB-CE1 4.38Å; L39-Y59 HydrophobicContact CD2-CD1 3.51Å; L39-Y59 HydrophobicContact CD2-CE1 3.75Å; L39-Y59 HydrophobicContact CD2-CG 4.12Å; L39-Y59 VanDerWaalsContact O-CZ 3.25Å; L39-Y59 PolarHBondContact O-OH 2.94Å; D44-Y59 HydrophobicContact CB-CD1 4.38Å; D44-Y59 HydrophobicContact CB-CE1 3.86Å; V57-Y59 PolarHBondContact O-N 3.23Å; Y59-I64 HydrophobicContact CD2-CD1 3.62Å; Y59-I64 HydrophobicContact CD2-CG1 4.26Å; Y59-I64 HydrophobicContact CD2-CG2 4.33Å; Y59-I64 HydrophobicContact CE2-CD1 3.58Å
60D88.5Confident78.8Confident85 Ų8584.8 Ų84.846%0.45544%0.435SS..  trans-107.4151.3165.4-164-82.7000109.1E62 N63D60-E62 PolarHBondContact O-N 2.91Å; D60-E62 PolarHBondContact OD1-N 3.11Å; D60-N63 WeakPolarHBondContact O-CB 3.32Å; D60-N63 PolarHBondContact O-N 2.84Å
61M81.1Confident76.8Confident134 Ų13486.2 Ų86.266%0.6645%0.445SS*.Hα-helixtrans-53.4-38.3173.4-85.5-171-86.400110.9N63 I64 L65M61-N63 PolarHBondContact O-N 3.28Å; M61-I64 PolarHBondContact O-N 2.83Å; M61-L65 HydrophobicContact CB-CD1 3.71Å; M61-L65 HydrophobicContact CG-CD1 4.14Å; M61-L65 WeakPolarHBondContact O-CB 2.94Å; M61-L65 WeakPolarHBondContact O-CD1 3.46Å; M61-L65 PolarHBondContact O-N 2.57Å
62E82.4Confident75.1Confident174 Ų17489.1 Ų89.181%0.81347%0.466SS*.Hα-helixtrans-65.2-23.3179.1-60.6-161.999.800114.2D60D60-E62 PolarHBondContact O-N 2.91Å; D60-E62 PolarHBondContact OD1-N 3.11Å
63N79.2Confident73.9Confident69 Ų6988.2 Ų88.237%0.36946%0.463SS..Hα-helixtrans-79.2-31.6178.4-82-71.9000112.9I10 D60 M61I10-N63 HydrophobicContact CG2-CB 3.69Å; D60-N63 WeakPolarHBondContact O-CB 3.32Å; D60-N63 PolarHBondContact O-N 2.84Å; M61-N63 PolarHBondContact O-N 3.28Å
64I79Confident71.9Confident4 Ų494 Ų942%0.02149%0.488CS..Hα-helixtrans-101.3-24.3-177.762.3174.5000112.8Y22 K36 L39 L40 Y59 M61Y22-I64 HydrophobicContact CE2-CG2 4.4Å; K36-I64 WeakPolarHBondContact CE-O 3.26Å; K36-I64 PolarHBondContact NZ-O 2.97Å; L39-I64 HydrophobicContact CB-CD1 4.18Å; L39-I64 HydrophobicContact CD1-CG2 4.12Å; L40-I64 HydrophobicContact CD2-CD1 3.55Å; L40-I64 HydrophobicContact CD2-CG1 4.02Å; L40-I64 HydrophobicContact CG-CD1 3.92Å; Y59-I64 HydrophobicContact CD2-CD1 3.62Å; Y59-I64 HydrophobicContact CD2-CG1 4.26Å; Y59-I64 HydrophobicContact CD2-CG2 4.33Å; Y59-I64 HydrophobicContact CE2-CD1 3.58Å; M61-I64 PolarHBondContact O-N 2.83Å
65L72.5Confident70.3Confident90 Ų9097.2 Ų97.247%0.47151%0.509SS..SBendtrans-69.5132.4174.8-90.487.1000109.2M61 N67M61-L65 HydrophobicContact CB-CD1 3.71Å; M61-L65 HydrophobicContact CG-CD1 4.14Å; M61-L65 WeakPolarHBondContact O-CB 2.94Å; M61-L65 WeakPolarHBondContact O-CD1 3.46Å; M61-L65 PolarHBondContact O-N 2.57Å; L65-N67 PolarHBondContact O-N 3.18Å
66P62.5Low68Low58 Ų58105.6 Ų105.638%0.37755%0.55SS.*  trans-61.2108.5166.126.1-30.4000107.2V68P66-V68 PolarHBondContact O-N 2.91Å
67N55.7Low65.9Low129 Ų129107.5 Ų107.569%0.6957%0.573SS**  trans-46.2128.6161.3-172.3-85.3000105.9L65 K69L65-N67 PolarHBondContact O-N 3.18Å; N67-K69 PolarHBondContact O-N 3.22Å
68V53.9Low63.7Low145 Ų145116.1 Ų116.188%0.87963%0.633SS**SBendtrans-63.465.3-166.8-158.60000113.1P66P66-V68 PolarHBondContact O-N 2.91Å
69K53.3Low62.2Low172 Ų172118.4 Ų118.475%0.74865%0.646SS**SBendtrans-144.287.7171.9-71.4-171.6178.3-177.10103.1N67N67-K69 PolarHBondContact O-N 3.22Å
70E53.4Low60.7Low171 Ų171121.2 Ų121.280%0.79967%0.667SS**SBendtrans76.383.6177.2-59175.876.100113.9
71S46.8Very low59.1Low108 Ų108123.2 Ų123.276%0.75568%0.679SS**  63.1121.795.3-64.70000112.5
72S48.5Very low57.8Low91 Ų91122.6 Ų122.664%0.63668%0.68SS**  cis-169.11077.1-71.60000105.6
73A54.5Low56.3Low55 Ų55119.4 Ų119.446%0.45567%0.672SS.*  trans-94.797.5165.500000106.8I75A73-I75 VanDerWaalsContact C-N 3.31Å; A73-I75 PolarHBondContact O-N 3.23Å
74E45.7Very low54.8Low171 Ų171122.7 Ų122.780%0.79969%0.692SS**  trans-73.686-178.4-47.9-159.3115.800108.6M76E74-M76 PolarHBondContact O-N 3.01Å
75I56.1Low53Low146 Ų146131.2 Ų131.275%0.74974%0.74SS**  trans-67.4108.4168.355161.7000108.3A73 V77A73-I75 VanDerWaalsContact C-N 3.31Å; A73-I75 PolarHBondContact O-N 3.23Å; I75-V77 PolarHBondContact O-N 2.92Å
76M44.9Very low51.6Low179 Ų179134.4 Ų134.488%0.88276%0.761SS**  trans-67.795.2173.4-60.2-173.8-71.700108.6E74E74-M76 PolarHBondContact O-N 3.01Å
77V48.7Very low50.6Low139 Ų139140.8 Ų140.884%0.84279%0.793SS**  trans-78120.3161.878.30000107.8I75I75-V77 PolarHBondContact O-N 2.92Å
78S46.4Very low50.2Low183 Ų183141.8 Ų141.8100%1.2880%0.802SS**  trans-1010167.1-60.80000110.3

Retrieved 78 of 78 residues in 17.4 ms (Link to these results)

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