A0A077ZEC4_TRITR Loading...

Ribonuclease P protein subunit p29

Component of ribonuclease P, a ribonucleoprotein complex that generates mature tRNA molecules by cleaving their 5'-ends.

AlphaFold DB , UniProt , Accession A0A077ZEC4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 91 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
1M96.8Very high95.4Very high57 Ų5761.3 Ų61.328%0.28137%0.367SS..  0133.80-171.3172-6800108.1H15 G16 V18 F26 L28 F45 H46M1-H15 CarbonylContact O-C 3.59Å; M1-H15 WeakPolarHBondContact O-CA 3.27Å; M1-H15 WeakPolarHBondContact O-CB 3.45Å; M1-G16 PolarHBondContact N-O 3.1Å; M1-G16 PolarHBondContact O-N 3.01Å; M1-V18 HydrophobicContact CB-CG2 3.94Å; M1-V18 HydrophobicContact CE-CG2 3.54Å; M1-V18 HydrophobicContact CG-CG2 4.41Å; M1-V18 HydrophobicContact SD-CG2 3.6Å; M1-V18 VanDerWaalsContact SD-CG2 3.6Å; M1-F26 HydrophobicContact CE-CE2 4.39Å; M1-F26 HydrophobicContact CE-CZ 4.41Å; M1-F26 HydrophobicContact SD-CD2 3.84Å; M1-F26 HydrophobicContact SD-CE2 3.77Å; M1-F26 HydrophobicContact SD-CG 4.49Å; M1-F26 HydrophobicContact SD-CZ 4.34Å; M1-L28 HydrophobicContact CB-CD2 4.37Å; M1-F45 HydrophobicContact CG-CB 3.79Å; M1-F45 HydrophobicContact CG-CD1 4.22Å; M1-F45 HydrophobicContact CG-CG 4.37Å; M1-F45 HydrophobicContact SD-CB 3.7Å; M1-F45 HydrophobicContact SD-CD1 3.89Å; M1-F45 HydrophobicContact SD-CG 3.89Å; M1-H46 CarbonylContact C-O 3.54Å; M1-H46 WeakPolarHBondContact CA-O 3.32Å
2L98.1Very high95.5Very high65 Ų6561.9 Ų61.934%0.3437%0.371SS..EExtended strand (participates in β ladder)trans-112.4139.517916872.1000108.8G4 G13 L14 H15 F45 H46L2-G4 PolarHBondContact O-N 3.02Å; L2-G13 WeakPolarHBondContact CD1-O 3.49Å; L2-L14 CarbonylContact C-O 3.46Å; L2-H15 HydrophobicContact CB-CB 4.2Å; L2-H15 HydrophobicContact CD1-CB 3.89Å; L2-F45 CarbonylContact O-C 3.2Å; L2-F45 VanDerWaalsContact O-CA 3.25Å; L2-F45 WeakPolarHBondContact O-CA 3.42Å; L2-H46 HydrophobicContact CB-CB 4.22Å; L2-H46 HydrophobicContact CD2-CB 4.32Å; L2-H46 PolarHBondContact N-O 2.84Å; L2-H46 PolarHBondContact O-N 3.24Å
3V97.7Very high95.7Very high1 Ų160.4 Ų60.41%0.00638%0.376CS..EExtended strand (participates in β ladder)trans-81.4103.9170.3-176.70000108.4A6 Q11 G13 L14 L28 I38 F45V3-A6 HydrophobicContact CG1-CB 3.96Å; V3-Q11 VanDerWaalsContact CB-O 3.23Å; V3-Q11 WeakPolarHBondContact CB-O 3.38Å; V3-Q11 HydrophobicContact CG1-CB 4.48Å; V3-Q11 VanDerWaalsContact CG1-O 3.32Å; V3-Q11 WeakPolarHBondContact CG1-O 3.41Å; V3-G13 PolarHBondContact O-N 3.34Å; V3-L14 HydrophobicContact CG2-CB 4.19Å; V3-L14 WeakPolarHBondContact CG2-O 3.12Å; V3-L14 PolarHBondContact N-O 3.41Å; V3-L28 HydrophobicContact CG2-CD1 4.25Å; V3-I38 HydrophobicContact CG2-CD1 4.5Å; V3-I38 HydrophobicContact CG2-CG1 4.19Å; V3-I38 HydrophobicContact CG2-CG2 3.95Å; V3-F45 HydrophobicContact CG2-CD1 4.19Å; V3-F45 HydrophobicContact CG2-CE1 4.08Å
4G95Very high95.8Very high22 Ų2260 Ų6023%0.22737%0.369CS..EExtended strand (participates in β ladder)trans-77.9-42.3-176.500000113.1L2 T44L2-G4 PolarHBondContact O-N 3.02Å; G4-T44 PolarHBondContact N-O 3.04Å
5A93.9Very high96Very high32 Ų3262.2 Ų62.226%0.26437%0.373SS..EExtended strand (participates in β ladder)trans-144.9152171.200000109.6S43 T44 F90A5-S43 CarbonylContact O-C 3.56Å; A5-S43 WeakPolarHBondContact O-CA 3.37Å; A5-T44 WeakPolarHBondContact CB-OG1 3.31Å; A5-T44 PolarHBondContact N-OG1 2.95Å; A5-T44 PolarHBondContact O-N 3.19Å; A5-F90 HydrophobicContact CB-CE1 3.93Å; A5-F90 HydrophobicContact CB-CZ 4.14Å
6A94.4Very high96.1Very high20 Ų2058.9 Ų58.917%0.16536%0.356CS..  trans-152155.617700000109.7V3 C8 Q11 V12 G42V3-A6 HydrophobicContact CG1-CB 3.96Å; A6-C8 PolarHBondContact O-N 2.86Å; A6-Q11 HydrophobicContact CB-CB 3.93Å; A6-V12 HydrophobicContact CB-CG2 4.06Å; A6-G42 CarbonylContact C-O 3.46Å; A6-G42 WeakPolarHBondContact CA-O 3.46Å
7K92.1Very high96.3Very high185 Ų18562.9 Ų62.980%0.80437%0.374SS*.SBendtrans-59.2-36.5170.4-78.2179.8176.8-174.50112.2G42K7-G42 PolarHBondContact N-O 2.97Å; K7-G42 VanDerWaalsContact N-O 3.11Å
8C93.6Very high96.4Very high59 Ų5962.4 Ų62.440%0.39937%0.372SS..SBendtrans-96.1115.8176.7-169.40000109.1A6 S10 Q11A6-C8 PolarHBondContact O-N 2.86Å; C8-S10 PolarHBondContact O-N 2.81Å; C8-S10 PolarHBondContact SG-OG 2.76Å; C8-Q11 HydrophobicContact CB-CG 4.12Å; C8-Q11 WeakPolarHBondContact O-CB 3.37Å; C8-Q11 PolarHBondContact O-N 2.75Å
9S94.7Very high96.5Very high106 Ų10663.7 Ų63.774%0.74138%0.38SS*.G310 helixtrans-59.5-32-176.353.90000113.2Q11 V12S9-Q11 PolarHBondContact O-N 2.98Å; S9-Q11 VanDerWaalsContact O-N 3.14Å; S9-V12 WeakPolarHBondContact O-CB 2.98Å; S9-V12 PolarHBondContact O-N 3.17Å; S9-V12 VanDerWaalsContact O-N 3.14Å
10S96.8Very high96.5Very high91 Ų9163.8 Ų63.864%0.63638%0.38SS*.G310 helixtrans-65.9-13.4177.765.50000114.4C8C8-S10 PolarHBondContact O-N 2.81Å; C8-S10 PolarHBondContact SG-OG 2.76Å
11Q96.8Very high96.6Very high36 Ų3663.2 Ų63.217%0.16837%0.374CS..G310 helixtrans-90.4-20.7176.5-61.7-174.1-52.100113V3 A6 C8 S9 G13 L14 I38V3-Q11 VanDerWaalsContact CB-O 3.23Å; V3-Q11 WeakPolarHBondContact CB-O 3.38Å; V3-Q11 HydrophobicContact CG1-CB 4.48Å; V3-Q11 VanDerWaalsContact CG1-O 3.32Å; V3-Q11 WeakPolarHBondContact CG1-O 3.41Å; A6-Q11 HydrophobicContact CB-CB 3.93Å; C8-Q11 HydrophobicContact CB-CG 4.12Å; C8-Q11 WeakPolarHBondContact O-CB 3.37Å; C8-Q11 PolarHBondContact O-N 2.75Å; S9-Q11 PolarHBondContact O-N 2.98Å; S9-Q11 VanDerWaalsContact O-N 3.14Å; Q11-G13 PolarHBondContact O-N 3.18Å; Q11-L14 HydrophobicContact CB-CD1 4.32Å; Q11-L14 WeakPolarHBondContact O-CB 3.38Å; Q11-L14 WeakPolarHBondContact O-CG 3.08Å; Q11-L14 PolarHBondContact O-N 3.22Å; Q11-I38 HydrophobicContact CG-CD1 4.45Å
12V96.7Very high96.6Very high69 Ų6963.2 Ų63.242%0.41838%0.377SS..THydrogen-bonded Turntrans-65.3134-179.4-178.30000109.1A6 S9 L14A6-V12 HydrophobicContact CB-CG2 4.06Å; S9-V12 WeakPolarHBondContact O-CB 2.98Å; S9-V12 PolarHBondContact O-N 3.17Å; S9-V12 VanDerWaalsContact O-N 3.14Å; V12-L14 VanDerWaalsContact C-N 3.3Å; V12-L14 PolarHBondContact O-N 3.09Å
13G97.3Very high96.5Very high42 Ų4267.3 Ų67.343%0.43339%0.388SS..THydrogen-bonded Turntrans88-14.4-178.100000114.9L2 V3 Q11 H15L2-G13 WeakPolarHBondContact CD1-O 3.49Å; V3-G13 PolarHBondContact O-N 3.34Å; Q11-G13 PolarHBondContact O-N 3.18Å; G13-H15 PolarHBondContact O-N 3.22Å
14L98Very high96.5Very high55 Ų5571.1 Ų71.129%0.28841%0.408SS..  trans-60.5135.4172.6-66.7177.7000109.8L2 V3 Q11 V12 V36 I38L2-L14 CarbonylContact C-O 3.46Å; V3-L14 HydrophobicContact CG2-CB 4.19Å; V3-L14 WeakPolarHBondContact CG2-O 3.12Å; V3-L14 PolarHBondContact N-O 3.41Å; Q11-L14 HydrophobicContact CB-CD1 4.32Å; Q11-L14 WeakPolarHBondContact O-CB 3.38Å; Q11-L14 WeakPolarHBondContact O-CG 3.08Å; Q11-L14 PolarHBondContact O-N 3.22Å; V12-L14 VanDerWaalsContact C-N 3.3Å; V12-L14 PolarHBondContact O-N 3.09Å; L14-V36 HydrophobicContact CD1-CG1 4.13Å; L14-I38 HydrophobicContact CD1-CD1 3.64Å
15H98.2Very high96.7Very high93 Ų9371.6 Ų71.643%0.43141%0.407SS..BIsolated β-bridgetrans-143.8154.7-179.570.5-74.7000111.8M1 L2 G13 P31M1-H15 CarbonylContact O-C 3.59Å; M1-H15 WeakPolarHBondContact O-CA 3.27Å; M1-H15 WeakPolarHBondContact O-CB 3.45Å; L2-H15 HydrophobicContact CB-CB 4.2Å; L2-H15 HydrophobicContact CD1-CB 3.89Å; G13-H15 PolarHBondContact O-N 3.22Å; H15-P31 WeakPolarHBondContact NE2-CG 3.26Å
16G98.1Very high96.9Very high9 Ų970.4 Ų70.49%0.09340%0.396CS..  trans172.5-178.8-177.500000113.5M1 L29M1-G16 PolarHBondContact N-O 3.1Å; M1-G16 PolarHBondContact O-N 3.01Å; G16-L29 CarbonylContact C-O 3.59Å; G16-L29 WeakPolarHBondContact CA-O 3.29Å
17L98.3Very high97.1Very high127 Ų12771.4 Ų71.467%0.66540%0.398SS*.EExtended strand (participates in β ladder)trans-81.1134.1171-62.8175.9000109.2V19 L28 L29L17-V19 PolarHBondContact O-N 3.33Å; L17-L28 CarbonylContact O-C 3.57Å; L17-L28 VanDerWaalsContact O-CA 3.3Å; L17-L28 WeakPolarHBondContact O-CA 3.47Å; L17-L29 PolarHBondContact N-O 3.25Å; L17-L29 PolarHBondContact O-N 2.74Å
18V98.1Very high97.4Very high54 Ų5462.7 Ų62.733%0.32736%0.36SS..EExtended strand (participates in β ladder)trans-76.2110.7172.4-179.30000107.7M1 F26 L27 L28M1-V18 HydrophobicContact CB-CG2 3.94Å; M1-V18 HydrophobicContact CE-CG2 3.54Å; M1-V18 HydrophobicContact CG-CG2 4.41Å; M1-V18 HydrophobicContact SD-CG2 3.6Å; M1-V18 VanDerWaalsContact SD-CG2 3.6Å; V18-F26 HydrophobicContact CG1-CB 4.4Å; V18-F26 HydrophobicContact CG1-CD1 3.76Å; V18-F26 HydrophobicContact CG1-CE1 4.37Å; V18-F26 HydrophobicContact CG1-CG 4.36Å; V18-F26 HydrophobicContact CG2-CD1 4.48Å; V18-L27 WeakPolarHBondContact CA-O 3.38Å; V18-L28 HydrophobicContact CB-CD2 4.4Å; V18-L28 HydrophobicContact CG2-CD2 3.59Å
19V98.3Very high97.7Very high87 Ų8762.7 Ų62.753%0.52736%0.356SS..EExtended strand (participates in β ladder)trans-89.7-39.5178.4-174.50000110.5L17 L27 L29 L35L17-V19 PolarHBondContact O-N 3.33Å; V19-L27 PolarHBondContact N-O 3.43Å; V19-L29 HydrophobicContact CG2-CB 3.59Å; V19-L35 HydrophobicContact CB-CD2 4.43Å; V19-L35 HydrophobicContact CG2-CD2 4.4Å
20V97.8Very high97.8Very high65 Ų6558.3 Ų58.339%0.39433%0.325SS..EExtended strand (participates in β ladder)trans-131.8133.6178.4-176.50000109.8T22 L27V20-T22 HydrophobicContact CG1-CG2 4.02Å; V20-L27 HydrophobicContact CB-CB 4.14Å; V20-L27 PolarHBondContact O-N 2.88Å
21E97.4Very high97.9Very high53 Ų5358 Ų5825%0.24832%0.321CS..EExtended strand (participates in β ladder)trans-111.7124.2165.4-177.9-177.1-178.900109.9F26 K40 P65 R68E21-F26 HydrophobicContact CB-CD1 3.95Å; E21-F26 HydrophobicContact CB-CE1 3.95Å; E21-F26 HydrophobicContact CG-CD1 3.73Å; E21-F26 HydrophobicContact CG-CE1 3.4Å; E21-F26 VanDerWaalsContact CG-CE1 3.4Å; E21-K40 IonicContact OE1-NZ 2.73Å; E21-K40 PolarHBondContact OE1-NZ 2.96Å; E21-P65 HydrophobicContact CB-CG 4.05Å; E21-P65 HydrophobicContact CG-CG 3.66Å; E21-R68 VanDerWaalsContact CD-NH2 3.34Å; E21-R68 IonicContact OE1-CZ 3.29Å; E21-R68 VanDerWaalsContact OE1-CZ 3.29Å; E21-R68 IonicContact OE1-NH1 2.65Å; E21-R68 PolarHBondContact OE1-NH1 2.73Å; E21-R68 IonicContact OE1-NH2 3.16Å; E21-R68 PolarHBondContact OE1-NH2 3.46Å; E21-R68 VanDerWaalsContact OE1-NH2 3.16Å; E21-R68 IonicContact OE2-CZ 3.68Å; E21-R68 IonicContact OE2-NH1 3.73Å; E21-R68 IonicContact OE2-NH2 2.75Å; E21-R68 PolarHBondContact OE2-NH2 2.79Å
22T97.2Very high97.9Very high56 Ų5662.2 Ų62.234%0.34434%0.34SS..  trans-110.8-174.2169.474.30000110.5V20 N24 V25 K40V20-T22 HydrophobicContact CG1-CG2 4.02Å; T22-N24 VanDerWaalsContact C-N 3.28Å; T22-N24 PolarHBondContact O-N 3.03Å; T22-V25 HydrophobicContact CG2-CG2 4.24Å; T22-V25 PolarHBondContact N-O 2.87Å; T22-V25 VanDerWaalsContact N-O 3.07Å; T22-V25 WeakPolarHBondContact OG1-CG2 3.09Å; T22-V25 PolarHBondContact OG1-N 3.12Å; T22-V25 PolarHBondContact OG1-O 3.1Å; T22-K40 WeakPolarHBondContact O-CE 3.49Å; T22-K40 PolarHBondContact O-NZ 3.31Å
23R96.9Very high98Very high151 Ų15165.5 Ų65.557%0.5736%0.356SS*.SBendtrans-53.1-44.7176-171.2-174.1177.3169.1-0.7112.8K40 C62 V63 T64R23-K40 PolarHBondContact O-NZ 3.16Å; R23-C62 CarbonylContact O-C 3.28Å; R23-C62 VanDerWaalsContact O-C 3.28Å; R23-C62 VanDerWaalsContact O-CA 3.27Å; R23-C62 WeakPolarHBondContact O-CA 3.45Å; R23-V63 PolarHBondContact O-N 3.11Å; R23-T64 HydrophobicContact CB-CG2 3.92Å; R23-T64 HydrophobicContact CG-CG2 4.27Å
24N97.9Very high98Very high81 Ų8172 Ų7243%0.43337%0.367SS..SBendtrans-121-12.8-165.1-64.8-29000114.5T22 K40T22-N24 VanDerWaalsContact C-N 3.28Å; T22-N24 PolarHBondContact O-N 3.03Å; N24-K40 WeakPolarHBondContact O-CB 3.03Å; N24-K40 WeakPolarHBondContact O-CG 3.21Å; N24-K40 PolarHBondContact O-N 3.24Å
25V98.3Very high98Very high33 Ų3374.6 Ų74.620%0.238%0.381CS..EExtended strand (participates in β ladder)trans-133.6157-176.5-58.60000111.7T22 L27 T37 I38T22-V25 HydrophobicContact CG2-CG2 4.24Å; T22-V25 PolarHBondContact N-O 2.87Å; T22-V25 VanDerWaalsContact N-O 3.07Å; T22-V25 WeakPolarHBondContact OG1-CG2 3.09Å; T22-V25 PolarHBondContact OG1-N 3.12Å; T22-V25 PolarHBondContact OG1-O 3.1Å; V25-L27 HydrophobicContact CG2-CD1 3.94Å; V25-T37 HydrophobicContact CB-CG2 3.7Å; V25-T37 HydrophobicContact CG1-CG2 3.79Å; V25-T37 HydrophobicContact CG2-CG2 3.82Å; V25-I38 CarbonylContact C-O 3.57Å; V25-I38 VanDerWaalsContact CA-O 3.24Å; V25-I38 WeakPolarHBondContact CA-O 3.15Å; V25-I38 WeakPolarHBondContact CB-O 3.46Å
26F98.4Very high98Very high7 Ų772.1 Ų72.13%0.03137%0.372CS..EExtended strand (participates in β ladder)trans-106.8141.2158.6-67.5-53.2000109.2M1 V18 E21 L28 T37 I38 K40 F45 I61M1-F26 HydrophobicContact CE-CE2 4.39Å; M1-F26 HydrophobicContact CE-CZ 4.41Å; M1-F26 HydrophobicContact SD-CD2 3.84Å; M1-F26 HydrophobicContact SD-CE2 3.77Å; M1-F26 HydrophobicContact SD-CG 4.49Å; M1-F26 HydrophobicContact SD-CZ 4.34Å; V18-F26 HydrophobicContact CG1-CB 4.4Å; V18-F26 HydrophobicContact CG1-CD1 3.76Å; V18-F26 HydrophobicContact CG1-CE1 4.37Å; V18-F26 HydrophobicContact CG1-CG 4.36Å; V18-F26 HydrophobicContact CG2-CD1 4.48Å; E21-F26 HydrophobicContact CB-CD1 3.95Å; E21-F26 HydrophobicContact CB-CE1 3.95Å; E21-F26 HydrophobicContact CG-CD1 3.73Å; E21-F26 HydrophobicContact CG-CE1 3.4Å; E21-F26 VanDerWaalsContact CG-CE1 3.4Å; F26-L28 HydrophobicContact CB-CD2 4.34Å; F26-T37 CarbonylContact O-C 3.48Å; F26-T37 WeakPolarHBondContact O-CA 3.42Å; F26-I38 PolarHBondContact N-O 3.42Å; F26-I38 PolarHBondContact O-N 3.38Å; F26-K40 HydrophobicContact CD2-CG 4.16Å; F26-K40 HydrophobicContact CE2-CG 4.11Å; F26-F45 HydrophobicContact CD2-CD1 4.12Å; F26-F45 HydrophobicContact CD2-CD2 4.2Å; F26-F45 AromaticContact CD2-CE1 3.79Å; F26-F45 HydrophobicContact CD2-CE1 3.79Å; F26-F45 AromaticContact CD2-CE2 3.89Å; F26-F45 HydrophobicContact CD2-CE2 3.89Å; F26-F45 HydrophobicContact CD2-CG 4.31Å; F26-F45 AromaticContact CD2-CZ 3.67Å; F26-F45 HydrophobicContact CD2-CZ 3.67Å; F26-F45 HydrophobicContact CE2-CD1 4.37Å; F26-F45 AromaticContact CE2-CD2 3.77Å; F26-F45 HydrophobicContact CE2-CD2 3.77Å; F26-F45 HydrophobicContact CE2-CE1 4.34Å; F26-F45 AromaticContact CE2-CE2 3.74Å; F26-F45 HydrophobicContact CE2-CE2 3.74Å; F26-F45 HydrophobicContact CE2-CG 4.09Å; F26-F45 HydrophobicContact CE2-CZ 4.03Å; F26-I61 HydrophobicContact CE2-CD1 3.81Å; F26-I61 HydrophobicContact CZ-CD1 3.44Å; F26-I61 VanDerWaalsContact CZ-CD1 3.44Å
27L98.4Very high98Very high41 Ų4175.3 Ų75.322%0.21539%0.39CS..EExtended strand (participates in β ladder)trans-100.1119.1163.2-83.168.6000108V18 V19 V20 V25 L35 V36 T37V18-L27 WeakPolarHBondContact CA-O 3.38Å; V19-L27 PolarHBondContact N-O 3.43Å; V20-L27 HydrophobicContact CB-CB 4.14Å; V20-L27 PolarHBondContact O-N 2.88Å; V25-L27 HydrophobicContact CG2-CD1 3.94Å; L27-L35 HydrophobicContact CB-CD2 3.87Å; L27-L35 HydrophobicContact CD2-CD2 4.2Å; L27-L35 HydrophobicContact CG-CD2 4.48Å; L27-V36 WeakPolarHBondContact CA-O 3.19Å; L27-T37 HydrophobicContact CD1-CG2 4.13Å
28L98.4Very high98Very high1 Ų169.2 Ų69.21%0.00536%0.358CS..EExtended strand (participates in β ladder)trans-100128.9178.5-57.6-177000109.7M1 V3 L17 V18 F26 L35 V36 I38M1-L28 HydrophobicContact CB-CD2 4.37Å; V3-L28 HydrophobicContact CG2-CD1 4.25Å; L17-L28 CarbonylContact O-C 3.57Å; L17-L28 VanDerWaalsContact O-CA 3.3Å; L17-L28 WeakPolarHBondContact O-CA 3.47Å; V18-L28 HydrophobicContact CB-CD2 4.4Å; V18-L28 HydrophobicContact CG2-CD2 3.59Å; F26-L28 HydrophobicContact CB-CD2 4.34Å; L28-L35 CarbonylContact O-C 3.53Å; L28-L35 WeakPolarHBondContact O-CA 3.38Å; L28-V36 PolarHBondContact N-O 3.46Å; L28-V36 PolarHBondContact O-N 3.3Å; L28-I38 HydrophobicContact CD1-CG1 3.72Å; L28-I38 HydrophobicContact CG-CG1 4.1Å
29L98.7Very high98Very high60 Ų6069.2 Ų69.231%0.31436%0.359SS..EExtended strand (participates in β ladder)trans-85.3113.6161.7178.565.7000108.5G16 L17 V19 R34G16-L29 CarbonylContact C-O 3.59Å; G16-L29 WeakPolarHBondContact CA-O 3.29Å; L17-L29 PolarHBondContact N-O 3.25Å; L17-L29 PolarHBondContact O-N 2.74Å; V19-L29 HydrophobicContact CG2-CB 3.59Å; L29-R34 WeakPolarHBondContact CA-O 3.25Å
30T98.4Very high98Very high13 Ų1365 Ų658%0.0833%0.334CS..  trans-89165.4-17677.10000112E32 D33 R34 V36T30-E32 WeakPolarHBondContact CB-OE2 3.47Å; T30-E32 PolarHBondContact O-N 3.17Å; T30-E32 PolarHBondContact OG1-N 2.76Å; T30-E32 PolarHBondContact OG1-OE2 2.81Å; T30-D33 PolarHBondContact O-N 3.34Å; T30-D33 VanDerWaalsContact O-N 3.16Å; T30-R34 PolarHBondContact N-O 2.88Å; T30-R34 PolarHBondContact OG1-O 2.91Å; T30-V36 HydrophobicContact CG2-CB 4.3Å; T30-V36 HydrophobicContact CG2-CG2 3.51Å
31P98Very high97.8Very high86 Ų8664.4 Ų64.456%0.55834%0.335SS*.THydrogen-bonded Turntrans-59.2-22.9175.3-24.234.9000114.5H15 D33H15-P31 WeakPolarHBondContact NE2-CG 3.26Å; P31-D33 PolarHBondContact O-N 2.96Å
32E97.4Very high97.6Very high123 Ų12362.8 Ų62.858%0.57533%0.333SS*.THydrogen-bonded Turntrans-8415.7178.4-54.171-149.500113.1T30 R34T30-E32 WeakPolarHBondContact CB-OE2 3.47Å; T30-E32 PolarHBondContact O-N 3.17Å; T30-E32 PolarHBondContact OG1-N 2.76Å; T30-E32 PolarHBondContact OG1-OE2 2.81Å; E32-R34 VanDerWaalsContact C-N 3.3Å; E32-R34 PolarHBondContact O-N 3.39Å
33D97.6Very high97.5Very high139 Ų13960.4 Ų60.474%0.74332%0.318SS*.SBendtrans56.741.8-177.4-16434.9000112.9T30 P31T30-D33 PolarHBondContact O-N 3.34Å; T30-D33 VanDerWaalsContact O-N 3.16Å; P31-D33 PolarHBondContact O-N 2.96Å
34R97.8Very high97.4Very high177 Ų17753.9 Ų53.967%0.66830%0.296SS*.  trans-119.8140177.6-67.4-176.8-179.9177-0.1111.4L29 T30 E32 V36L29-R34 WeakPolarHBondContact CA-O 3.25Å; T30-R34 PolarHBondContact N-O 2.88Å; T30-R34 PolarHBondContact OG1-O 2.91Å; E32-R34 VanDerWaalsContact C-N 3.3Å; E32-R34 PolarHBondContact O-N 3.39Å; R34-V36 HydrophobicContact CB-CG2 4.36Å
35L98.3Very high97.3Very high111 Ų11150 Ų5058%0.58128%0.275SS*.EExtended strand (participates in β ladder)trans-89117.8167.5-94.8154.1000109.7V19 L27 L28V19-L35 HydrophobicContact CB-CD2 4.43Å; V19-L35 HydrophobicContact CG2-CD2 4.4Å; L27-L35 HydrophobicContact CB-CD2 3.87Å; L27-L35 HydrophobicContact CD2-CD2 4.2Å; L27-L35 HydrophobicContact CG-CD2 4.48Å; L28-L35 CarbonylContact O-C 3.53Å; L28-L35 WeakPolarHBondContact O-CA 3.38Å
36V98.1Very high97.2Very high41 Ų4150 Ų5025%0.24827%0.273CS..EExtended strand (participates in β ladder)trans-119127.9-178.5-165.30000109.8L14 L27 L28 T30 R34 I38L14-V36 HydrophobicContact CD1-CG1 4.13Å; L27-V36 WeakPolarHBondContact CA-O 3.19Å; L28-V36 PolarHBondContact N-O 3.46Å; L28-V36 PolarHBondContact O-N 3.3Å; T30-V36 HydrophobicContact CG2-CB 4.3Å; T30-V36 HydrophobicContact CG2-CG2 3.51Å; R34-V36 HydrophobicContact CB-CG2 4.36Å; V36-I38 HydrophobicContact CG1-CD1 3.88Å
37T98.4Very high97.1Very high75 Ų7552.8 Ų52.846%0.4629%0.285SS..EExtended strand (participates in β ladder)trans-90.3120.5178.4-60.50000110.3V25 F26 L27V25-T37 HydrophobicContact CB-CG2 3.7Å; V25-T37 HydrophobicContact CG1-CG2 3.79Å; V25-T37 HydrophobicContact CG2-CG2 3.82Å; F26-T37 CarbonylContact O-C 3.48Å; F26-T37 WeakPolarHBondContact O-CA 3.42Å; L27-T37 HydrophobicContact CD1-CG2 4.13Å
38I98.3Very high96.9Very high0 Ų055.7 Ų55.70%030%0.304CS..EExtended strand (participates in β ladder)trans-114.3121.6179.7-49.9-60.2000110.4V3 Q11 L14 V25 F26 L28 V36 F45V3-I38 HydrophobicContact CG2-CD1 4.5Å; V3-I38 HydrophobicContact CG2-CG1 4.19Å; V3-I38 HydrophobicContact CG2-CG2 3.95Å; Q11-I38 HydrophobicContact CG-CD1 4.45Å; L14-I38 HydrophobicContact CD1-CD1 3.64Å; V25-I38 CarbonylContact C-O 3.57Å; V25-I38 VanDerWaalsContact CA-O 3.24Å; V25-I38 WeakPolarHBondContact CA-O 3.15Å; V25-I38 WeakPolarHBondContact CB-O 3.46Å; F26-I38 PolarHBondContact N-O 3.42Å; F26-I38 PolarHBondContact O-N 3.38Å; L28-I38 HydrophobicContact CD1-CG1 3.72Å; L28-I38 HydrophobicContact CG-CG1 4.1Å; V36-I38 HydrophobicContact CG1-CD1 3.88Å; I38-F45 HydrophobicContact CB-CE1 4.31Å; I38-F45 HydrophobicContact CG2-CE1 3.68Å; I38-F45 HydrophobicContact CG2-CZ 4Å
39P98.2Very high96.8Very high53 Ų5360 Ų6034%0.34433%0.327SS..EExtended strand (participates in β ladder)trans-61.9134.5170-20.633.1000112S43P39-S43 VanDerWaalsContact O-CB 3.27Å; P39-S43 WeakPolarHBondContact O-CB 3.31Å; P39-S43 PolarHBondContact O-OG 3.45Å
40K97.3Very high96.7Very high0 Ų063.6 Ų63.60%035%0.346CS..SBendtrans-72.2-40.9171.6-64.4172.7176.8-176.60111.2E21 T22 R23 N24 F26 G42 S43 F45 G58 I61E21-K40 IonicContact OE1-NZ 2.73Å; E21-K40 PolarHBondContact OE1-NZ 2.96Å; T22-K40 WeakPolarHBondContact O-CE 3.49Å; T22-K40 PolarHBondContact O-NZ 3.31Å; R23-K40 PolarHBondContact O-NZ 3.16Å; N24-K40 WeakPolarHBondContact O-CB 3.03Å; N24-K40 WeakPolarHBondContact O-CG 3.21Å; N24-K40 PolarHBondContact O-N 3.24Å; F26-K40 HydrophobicContact CD2-CG 4.16Å; F26-K40 HydrophobicContact CE2-CG 4.11Å; K40-G42 PolarHBondContact O-N 2.75Å; K40-S43 PolarHBondContact O-N 2.73Å; K40-S43 VanDerWaalsContact O-N 3.08Å; K40-F45 HydrophobicContact CB-CE2 4.39Å; K40-F45 HydrophobicContact CG-CE2 4.35Å; K40-G58 CarbonylContact O-C 3.51Å; K40-G58 WeakPolarHBondContact O-CA 3.35Å; K40-I61 HydrophobicContact CD-CD1 4.03Å; K40-I61 HydrophobicContact CD-CG1 4.19Å; K40-I61 WeakPolarHBondContact CD-O 3.41Å; K40-I61 HydrophobicContact CG-CD1 4.41Å; K40-I61 PolarHBondContact NZ-O 3.43Å; K40-I61 VanDerWaalsContact NZ-O 3.12Å
41A95Very high96.5Very high51 Ų5170.9 Ų70.942%0.42139%0.385SS..THydrogen-bonded Turntrans-64.5124.1-177.900000110.8S43 N59A41-S43 VanDerWaalsContact C-N 3.29Å; A41-N59 WeakPolarHBondContact CA-OD1 3.14Å
42G92.8Very high96.4Very high20 Ų2074.9 Ų74.921%0.20639%0.389CS..THydrogen-bonded Turntrans7811.3-177.300000114.6A6 K7 K40 N59A6-G42 CarbonylContact C-O 3.46Å; A6-G42 WeakPolarHBondContact CA-O 3.46Å; K7-G42 PolarHBondContact N-O 2.97Å; K7-G42 VanDerWaalsContact N-O 3.11Å; K40-G42 PolarHBondContact O-N 2.75Å; G42-N59 PolarHBondContact N-OD1 3.14Å
43S95.1Very high96.1Very high5 Ų574.4 Ų74.44%0.03539%0.389CS..  trans-120.4153.4179.9-53.20000112A5 P39 K40 A41 G58A5-S43 CarbonylContact O-C 3.56Å; A5-S43 WeakPolarHBondContact O-CA 3.37Å; P39-S43 VanDerWaalsContact O-CB 3.27Å; P39-S43 WeakPolarHBondContact O-CB 3.31Å; P39-S43 PolarHBondContact O-OG 3.45Å; K40-S43 PolarHBondContact O-N 2.73Å; K40-S43 VanDerWaalsContact O-N 3.08Å; A41-S43 VanDerWaalsContact C-N 3.29Å; S43-G58 VanDerWaalsContact O-CA 3.32Å; S43-G58 WeakPolarHBondContact O-CA 3.14Å; S43-G58 PolarHBondContact O-N 3.02Å
44T94.1Very high96Very high15 Ų1572.2 Ų72.29%0.09237%0.371CS..EExtended strand (participates in β ladder)trans-121.5144.316762.20000109.7G4 A5 L56 L57 F90G4-T44 PolarHBondContact N-O 3.04Å; A5-T44 WeakPolarHBondContact CB-OG1 3.31Å; A5-T44 PolarHBondContact N-OG1 2.95Å; A5-T44 PolarHBondContact O-N 3.19Å; T44-L56 WeakPolarHBondContact CA-O 3.33Å; T44-L57 HydrophobicContact CG2-CD2 3.92Å; T44-F90 HydrophobicContact CG2-CE2 4.34Å; T44-F90 HydrophobicContact CG2-CZ 3.74Å
45F96.6Very high95.7Very high0 Ų066.8 Ų66.80%036%0.358CS..EExtended strand (participates in β ladder)trans-125.4132.8-173.8-55.6-83.4000110.4M1 L2 V3 F26 I38 K40 L56M1-F45 HydrophobicContact CG-CB 3.79Å; M1-F45 HydrophobicContact CG-CD1 4.22Å; M1-F45 HydrophobicContact CG-CG 4.37Å; M1-F45 HydrophobicContact SD-CB 3.7Å; M1-F45 HydrophobicContact SD-CD1 3.89Å; M1-F45 HydrophobicContact SD-CG 3.89Å; L2-F45 CarbonylContact O-C 3.2Å; L2-F45 VanDerWaalsContact O-CA 3.25Å; L2-F45 WeakPolarHBondContact O-CA 3.42Å; V3-F45 HydrophobicContact CG2-CD1 4.19Å; V3-F45 HydrophobicContact CG2-CE1 4.08Å; F26-F45 HydrophobicContact CD2-CD1 4.12Å; F26-F45 HydrophobicContact CD2-CD2 4.2Å; F26-F45 AromaticContact CD2-CE1 3.79Å; F26-F45 HydrophobicContact CD2-CE1 3.79Å; F26-F45 AromaticContact CD2-CE2 3.89Å; F26-F45 HydrophobicContact CD2-CE2 3.89Å; F26-F45 HydrophobicContact CD2-CG 4.31Å; F26-F45 AromaticContact CD2-CZ 3.67Å; F26-F45 HydrophobicContact CD2-CZ 3.67Å; F26-F45 HydrophobicContact CE2-CD1 4.37Å; F26-F45 AromaticContact CE2-CD2 3.77Å; F26-F45 HydrophobicContact CE2-CD2 3.77Å; F26-F45 HydrophobicContact CE2-CE1 4.34Å; F26-F45 AromaticContact CE2-CE2 3.74Å; F26-F45 HydrophobicContact CE2-CE2 3.74Å; F26-F45 HydrophobicContact CE2-CG 4.09Å; F26-F45 HydrophobicContact CE2-CZ 4.03Å; I38-F45 HydrophobicContact CB-CE1 4.31Å; I38-F45 HydrophobicContact CG2-CE1 3.68Å; I38-F45 HydrophobicContact CG2-CZ 4Å; K40-F45 HydrophobicContact CB-CE2 4.39Å; K40-F45 HydrophobicContact CG-CE2 4.35Å; F45-L56 HydrophobicContact CB-CB 4.2Å; F45-L56 PolarHBondContact N-O 3.17Å; F45-L56 WeakPolarHBondContact O-CB 3.42Å; F45-L56 PolarHBondContact O-N 2.96Å
46H95.5Very high95.5Very high32 Ų3263.8 Ų63.815%0.14834%0.342CS..EExtended strand (participates in β ladder)trans-108.7141-179.4-62.5175.4000109.8M1 L2 L53 Y54M1-H46 CarbonylContact C-O 3.54Å; M1-H46 WeakPolarHBondContact CA-O 3.32Å; L2-H46 HydrophobicContact CB-CB 4.22Å; L2-H46 HydrophobicContact CD2-CB 4.32Å; L2-H46 PolarHBondContact N-O 2.84Å; L2-H46 PolarHBondContact O-N 3.24Å; H46-L53 HydrophobicContact CB-CD1 4.02Å; H46-Y54 WeakPolarHBondContact CA-O 3.49Å
47F96.8Very high95.1Very high66 Ų6663.4 Ų63.429%0.28934%0.338SS..EExtended strand (participates in β ladder)trans-149.5154.5167.967.8-76.6000110.2L49 Y54 L56F47-L49 HydrophobicContact CE2-CB 4.45Å; F47-Y54 HydrophobicContact CE1-CG 4.32Å; F47-Y54 HydrophobicContact CE2-CD2 4.07Å; F47-Y54 HydrophobicContact CE2-CG 4.1Å; F47-Y54 HydrophobicContact CZ-CD2 4.28Å; F47-Y54 AromaticContact CZ-CG 3.83Å; F47-Y54 HydrophobicContact CZ-CG 3.83Å; F47-Y54 PolarHBondContact N-O 3.22Å; F47-Y54 PolarHBondContact O-N 3.29Å; F47-L56 HydrophobicContact CD1-CD1 4.18Å; F47-L56 HydrophobicContact CE1-CB 4.49Å; F47-L56 HydrophobicContact CE1-CD1 3.44Å; F47-L56 VanDerWaalsContact CE1-CD1 3.44Å; F47-L56 HydrophobicContact CE1-CG 4.47Å; F47-L56 HydrophobicContact CZ-CD1 4.19Å
48V95.4Very high94.9Very high102 Ų10259.8 Ų59.862%0.61832%0.317SS*.EExtended strand (participates in β ladder)trans-108134.2179.81790000108.7R52 L53V48-R52 VanDerWaalsContact CA-O 3.31Å; V48-R52 WeakPolarHBondContact CA-O 3.19Å; V48-L53 HydrophobicContact CG2-CD1 4.24Å
49L96.1Very high94.5Very high91 Ų9165.3 Ų65.348%0.47635%0.346SS..EExtended strand (participates in β ladder)trans-140.8127.4171.4179.666.5000108.1F47 N51 R52 Y54F47-L49 HydrophobicContact CE2-CB 4.45Å; L49-N51 PolarHBondContact O-N 3.16Å; L49-R52 PolarHBondContact N-O 2.82Å; L49-R52 WeakPolarHBondContact O-CB 3.27Å; L49-R52 PolarHBondContact O-N 2.89Å; L49-Y54 HydrophobicContact CB-CD2 4.23Å; L49-Y54 HydrophobicContact CB-CE2 3.96Å
50N96.6Very high94Very high135 Ų13565 Ų6572%0.72235%0.348SS*.THydrogen-bonded Turntrans49.352179.3-59.2-20000113.2R52N50-R52 PolarHBondContact O-N 3.3Å; N50-R52 VanDerWaalsContact O-N 3.1Å
51N94.1Very high93.8Very high167 Ų16765.6 Ų65.689%0.89335%0.351SS*.THydrogen-bonded Turntrans57.621.2-178.7-6752.2000115L49L49-N51 PolarHBondContact O-N 3.16Å
52R95.2Very high93.8Very high169 Ų16964.7 Ų64.764%0.63834%0.341SS*.EExtended strand (participates in β ladder)trans-118.2135.5175.1-64.5177.6-176.8-168.9-0110.4V48 L49 N50 Y54V48-R52 VanDerWaalsContact CA-O 3.31Å; V48-R52 WeakPolarHBondContact CA-O 3.19Å; L49-R52 PolarHBondContact N-O 2.82Å; L49-R52 WeakPolarHBondContact O-CB 3.27Å; L49-R52 PolarHBondContact O-N 2.89Å; N50-R52 PolarHBondContact O-N 3.3Å; N50-R52 VanDerWaalsContact O-N 3.1Å; R52-Y54 HydrophobicContact CB-CD2 4.39Å; R52-Y54 HydrophobicContact CB-CE2 3.69Å; R52-Y54 WeakPolarHBondContact O-CD2 3.32Å
53L92Very high93.8Very high113 Ų11364.5 Ų64.559%0.59234%0.336SS*.EExtended strand (participates in β ladder)trans-84.1126.9173.5-179.266.2000109.5H46 V48H46-L53 HydrophobicContact CB-CD1 4.02Å; V48-L53 HydrophobicContact CG2-CD1 4.24Å
54Y94.8Very high93.7Very high93 Ų9367.1 Ų67.137%0.36535%0.352SS..EExtended strand (participates in β ladder)trans-113.7132173.4-67.9-92.3000109.5H46 F47 L49 R52H46-Y54 WeakPolarHBondContact CA-O 3.49Å; F47-Y54 HydrophobicContact CE1-CG 4.32Å; F47-Y54 HydrophobicContact CE2-CD2 4.07Å; F47-Y54 HydrophobicContact CE2-CG 4.1Å; F47-Y54 HydrophobicContact CZ-CD2 4.28Å; F47-Y54 AromaticContact CZ-CG 3.83Å; F47-Y54 HydrophobicContact CZ-CG 3.83Å; F47-Y54 PolarHBondContact N-O 3.22Å; F47-Y54 PolarHBondContact O-N 3.29Å; L49-Y54 HydrophobicContact CB-CD2 4.23Å; L49-Y54 HydrophobicContact CB-CE2 3.96Å; R52-Y54 HydrophobicContact CB-CD2 4.39Å; R52-Y54 HydrophobicContact CB-CE2 3.69Å; R52-Y54 WeakPolarHBondContact O-CD2 3.32Å
55V92Very high93.7Very high64 Ų6468.5 Ų68.539%0.38836%0.361SS..EExtended strand (participates in β ladder)trans-107.6122.9176.2-178.30000108.7L57V55-L57 HydrophobicContact CG1-CD2 4.26Å
56L92.8Very high93.6Very high48 Ų4872.5 Ų72.525%0.25139%0.389SS..EExtended strand (participates in β ladder)trans-110.3120-176.1-133.3142.4000108.7T44 F45 F47 G58 I61T44-L56 WeakPolarHBondContact CA-O 3.33Å; F45-L56 HydrophobicContact CB-CB 4.2Å; F45-L56 PolarHBondContact N-O 3.17Å; F45-L56 WeakPolarHBondContact O-CB 3.42Å; F45-L56 PolarHBondContact O-N 2.96Å; F47-L56 HydrophobicContact CD1-CD1 4.18Å; F47-L56 HydrophobicContact CE1-CB 4.49Å; F47-L56 HydrophobicContact CE1-CD1 3.44Å; F47-L56 VanDerWaalsContact CE1-CD1 3.44Å; F47-L56 HydrophobicContact CE1-CG 4.47Å; F47-L56 HydrophobicContact CZ-CD1 4.19Å; L56-G58 PolarHBondContact O-N 3.24Å; L56-I61 HydrophobicContact CD2-CD1 3.31Å; L56-I61 HydrophobicContact CD2-CG1 3.94Å; L56-I61 HydrophobicContact CD2-CG2 4.02Å
57L90.7Very high93.4Very high32 Ų3273 Ų7317%0.16840%0.398CS..EExtended strand (participates in β ladder)trans-87.3105.9-175.3-55.8176.7000109.5T44 V55 N59 A60 F82 L86T44-L57 HydrophobicContact CG2-CD2 3.92Å; V55-L57 HydrophobicContact CG1-CD2 4.26Å; L57-N59 VanDerWaalsContact C-N 3.28Å; L57-N59 PolarHBondContact O-N 2.9Å; L57-A60 HydrophobicContact CB-CB 4.24Å; L57-A60 WeakPolarHBondContact O-CB 3.23Å; L57-A60 PolarHBondContact O-N 3.46Å; L57-F82 HydrophobicContact CD1-CE2 3.84Å; L57-F82 HydrophobicContact CD1-CZ 3.73Å; L57-L86 HydrophobicContact CD1-CB 4.39Å; L57-L86 HydrophobicContact CD1-CD1 3.43Å; L57-L86 VanDerWaalsContact CD1-CD1 3.43Å; L57-L86 HydrophobicContact CD1-CD2 3.52Å; L57-L86 HydrophobicContact CD1-CG 3.96Å; L57-L86 HydrophobicContact CD2-CD2 3.63Å; L57-L86 HydrophobicContact CG-CD2 4.1Å
58G93.8Very high93.1Very high0 Ų072.9 Ų72.90%040%0.396CS..G310 helixtrans-58.7-38.7-173.100000113.2K40 S43 L56 A60 I61 C62K40-G58 CarbonylContact O-C 3.51Å; K40-G58 WeakPolarHBondContact O-CA 3.35Å; S43-G58 VanDerWaalsContact O-CA 3.32Å; S43-G58 WeakPolarHBondContact O-CA 3.14Å; S43-G58 PolarHBondContact O-N 3.02Å; L56-G58 PolarHBondContact O-N 3.24Å; G58-A60 PolarHBondContact O-N 3.04Å; G58-I61 WeakPolarHBondContact O-CG1 3.39Å; G58-I61 PolarHBondContact O-N 3.29Å; G58-C62 PolarHBondContact O-N 2.8Å; G58-C62 PolarHBondContact O-SG 3.47Å
59N90.3Very high92.8Very high115 Ų11572.1 Ų72.162%0.61540%0.4SS*.G310 helixtrans-55.3-33.6174.3-75.9-19.4000113.7A41 G42 L57 I61A41-N59 WeakPolarHBondContact CA-OD1 3.14Å; G42-N59 PolarHBondContact N-OD1 3.14Å; L57-N59 VanDerWaalsContact C-N 3.28Å; L57-N59 PolarHBondContact O-N 2.9Å; N59-I61 VanDerWaalsContact C-N 3.33Å
60A88.1Confident92.4Very high47 Ų4775.8 Ų75.839%0.38842%0.415SS..G310 helixtrans-76.6-22-178.700000112.5L57 G58 F73L57-A60 HydrophobicContact CB-CB 4.24Å; L57-A60 WeakPolarHBondContact O-CB 3.23Å; L57-A60 PolarHBondContact O-N 3.46Å; G58-A60 PolarHBondContact O-N 3.04Å; A60-F73 HydrophobicContact CB-CE1 4.46Å; A60-F73 WeakPolarHBondContact O-CE1 3.48Å
61I92.1Very high91.7Very high13 Ų1376.4 Ų76.47%0.06741%0.407CS..G310 helixtrans-113.822.9-172.559.6149.7000113.7F26 K40 L56 G58 N59 V63 F73F26-I61 HydrophobicContact CE2-CD1 3.81Å; F26-I61 HydrophobicContact CZ-CD1 3.44Å; F26-I61 VanDerWaalsContact CZ-CD1 3.44Å; K40-I61 HydrophobicContact CD-CD1 4.03Å; K40-I61 HydrophobicContact CD-CG1 4.19Å; K40-I61 WeakPolarHBondContact CD-O 3.41Å; K40-I61 HydrophobicContact CG-CD1 4.41Å; K40-I61 PolarHBondContact NZ-O 3.43Å; K40-I61 VanDerWaalsContact NZ-O 3.12Å; L56-I61 HydrophobicContact CD2-CD1 3.31Å; L56-I61 HydrophobicContact CD2-CG1 3.94Å; L56-I61 HydrophobicContact CD2-CG2 4.02Å; G58-I61 WeakPolarHBondContact O-CG1 3.39Å; G58-I61 PolarHBondContact O-N 3.29Å; N59-I61 VanDerWaalsContact C-N 3.33Å; I61-V63 PolarHBondContact O-N 3.25Å; I61-F73 HydrophobicContact CG2-CE1 4.39Å; I61-F73 HydrophobicContact CG2-CZ 4.26Å
62C94.1Very high90.8Very high31 Ų3177.5 Ų77.521%0.20940%0.404CS..  trans-74.349.6170.3-67.90000112.7R23 G58R23-C62 CarbonylContact O-C 3.28Å; R23-C62 VanDerWaalsContact O-C 3.28Å; R23-C62 VanDerWaalsContact O-CA 3.27Å; R23-C62 WeakPolarHBondContact O-CA 3.45Å; G58-C62 PolarHBondContact O-N 2.8Å; G58-C62 PolarHBondContact O-SG 3.47Å
63V92.9Very high90Very high17 Ų1775 Ų7510%0.10340%0.398CS..SBendtrans-134.6158.3175.3-68.90000108.4R23 I61 R68R23-V63 PolarHBondContact O-N 3.11Å; I61-V63 PolarHBondContact O-N 3.25Å; V63-R68 HydrophobicContact CG2-CB 3.93Å; V63-R68 HydrophobicContact CG2-CG 4.42Å
64T94.6Very high89.2Confident59 Ų5978.5 Ų78.536%0.36241%0.408SS..  trans-61.2146.7175.5490000110.4R23 S66 A67 R68R23-T64 HydrophobicContact CB-CG2 3.92Å; R23-T64 HydrophobicContact CG-CG2 4.27Å; T64-S66 VanDerWaalsContact C-N 3.29Å; T64-S66 PolarHBondContact O-N 3.25Å; T64-A67 PolarHBondContact O-N 3.29Å; T64-A67 VanDerWaalsContact O-N 3.15Å; T64-A67 WeakPolarHBondContact OG1-CB 3.34Å; T64-R68 PolarHBondContact O-N 2.98Å
65P93.7Very high88.1Confident44 Ų4478.3 Ų78.329%0.28641%0.413SS..Hα-helixtrans-56.5-42.7-177.8-24.532.8000113E21 R68 A69E21-P65 HydrophobicContact CB-CG 4.05Å; E21-P65 HydrophobicContact CG-CG 3.66Å; P65-R68 WeakPolarHBondContact O-CB 3.44Å; P65-R68 PolarHBondContact O-N 2.65Å; P65-A69 PolarHBondContact O-N 2.84Å
66S93.6Very high87.1Confident84 Ų8480.6 Ų80.659%0.58743%0.429SS*.Hα-helixtrans-60.6-47.7176.151.60000111.9T64 R68 A69 H70T64-S66 VanDerWaalsContact C-N 3.29Å; T64-S66 PolarHBondContact O-N 3.25Å; S66-R68 PolarHBondContact O-N 2.88Å; S66-A69 PolarHBondContact O-N 3.49Å; S66-H70 PolarHBondContact O-CD2 3.15Å; S66-H70 VanDerWaalsContact O-CD2 3.23Å
67A92Very high86.2Confident42 Ų4280.7 Ų80.735%0.34743%0.428SS..Hα-helixtrans-63.8-31.2177.900000112.4T64 A69 H70 R71T64-A67 PolarHBondContact O-N 3.29Å; T64-A67 VanDerWaalsContact O-N 3.15Å; T64-A67 WeakPolarHBondContact OG1-CB 3.34Å; A67-A69 VanDerWaalsContact C-N 3.32Å; A67-A69 PolarHBondContact O-N 3.23Å; A67-H70 PolarHBondContact O-N 3.22Å; A67-R71 WeakPolarHBondContact O-CB 3.43Å; A67-R71 PolarHBondContact O-N 3.32Å; A67-R71 VanDerWaalsContact O-N 3.11Å
68R90.9Very high85.5Confident65 Ų6583.3 Ų83.325%0.24545%0.447CS..Hα-helixtrans-61.5-38.7178.9-175.2171.156.3-107.96112.5E21 V63 T64 P65 S66 H70 R71 F73E21-R68 VanDerWaalsContact CD-NH2 3.34Å; E21-R68 IonicContact OE1-CZ 3.29Å; E21-R68 VanDerWaalsContact OE1-CZ 3.29Å; E21-R68 IonicContact OE1-NH1 2.65Å; E21-R68 PolarHBondContact OE1-NH1 2.73Å; E21-R68 IonicContact OE1-NH2 3.16Å; E21-R68 PolarHBondContact OE1-NH2 3.46Å; E21-R68 VanDerWaalsContact OE1-NH2 3.16Å; E21-R68 IonicContact OE2-CZ 3.68Å; E21-R68 IonicContact OE2-NH1 3.73Å; E21-R68 IonicContact OE2-NH2 2.75Å; E21-R68 PolarHBondContact OE2-NH2 2.79Å; V63-R68 HydrophobicContact CG2-CB 3.93Å; V63-R68 HydrophobicContact CG2-CG 4.42Å; T64-R68 PolarHBondContact O-N 2.98Å; P65-R68 WeakPolarHBondContact O-CB 3.44Å; P65-R68 PolarHBondContact O-N 2.65Å; S66-R68 PolarHBondContact O-N 2.88Å; R68-H70 PolarHBondContact O-N 3.12Å; R68-R71 PolarHBondContact O-N 2.73Å; R68-F73 HydrophobicContact CG-CE2 3.66Å; R68-F73 HydrophobicContact CG-CZ 3.6Å
69A88.7Confident84.4Confident85 Ų8589 Ų8970%0.70248%0.476SS*.Hα-helixtrans-62.3-31.6179.500000112.6P65 S66 A67P65-A69 PolarHBondContact O-N 2.84Å; S66-A69 PolarHBondContact O-N 3.49Å; A67-A69 VanDerWaalsContact C-N 3.32Å; A67-A69 PolarHBondContact O-N 3.23Å
70H87.5Confident83.6Confident169 Ų16987.3 Ų87.378%0.78247%0.473SS*.Hα-helixtrans-95.2-7.8-179.5-56.5-67.8000113.4S66 A67 R68S66-H70 PolarHBondContact O-CD2 3.15Å; S66-H70 VanDerWaalsContact O-CD2 3.23Å; A67-H70 PolarHBondContact O-N 3.22Å; R68-H70 PolarHBondContact O-N 3.12Å
71R81.2Confident82.7Confident147 Ų14788.3 Ų88.356%0.55547%0.473SS*.  trans-85.9124.9-174.7-140.6-177.5-172-156.12.2110.7A67 R68 F73A67-R71 WeakPolarHBondContact O-CB 3.43Å; A67-R71 PolarHBondContact O-N 3.32Å; A67-R71 VanDerWaalsContact O-N 3.11Å; R68-R71 PolarHBondContact O-N 2.73Å; R71-F73 PolarHBondContact O-N 2.92Å; R71-F73 VanDerWaalsContact O-N 3.17Å
72K76.9Confident81.5Confident191 Ų19190.4 Ų90.483%0.8348%0.481SS*.  trans-71.6106.9162.7-66-173.8-179.1-176.90108.4K74K72-K74 PolarHBondContact O-N 2.83Å
73F76.9Confident80.2Confident115 Ų11595.8 Ų95.850%0.50450%0.501SS..PPolyproline II helixtrans-61.8119.9173.7-81.3-91.3000109.4A60 I61 R68 R71A60-F73 HydrophobicContact CB-CE1 4.46Å; A60-F73 WeakPolarHBondContact O-CE1 3.48Å; I61-F73 HydrophobicContact CG2-CE1 4.39Å; I61-F73 HydrophobicContact CG2-CZ 4.26Å; R68-F73 HydrophobicContact CG-CE2 3.66Å; R68-F73 HydrophobicContact CG-CZ 3.6Å; R71-F73 PolarHBondContact O-N 2.92Å; R71-F73 VanDerWaalsContact O-N 3.17Å
74K75.2Confident79Confident187 Ų18798.2 Ų98.281%0.81351%0.513SS*.PPolyproline II helixtrans-103.9130.8170.2-65.4-174.2179.8-175.50107.7K72K72-K74 PolarHBondContact O-N 2.83Å
75L73Confident77.5Confident89 Ų89103 Ų10347%0.46653%0.525SS..PPolyproline II helixtrans-69.2131.5170.8-63.7172000108.1F77 L79 F82L75-F77 WeakPolarHBondContact CB-O 3.43Å; L75-F77 PolarHBondContact O-N 3.39Å; L75-L79 HydrophobicContact CD1-CB 4.27Å; L75-L79 HydrophobicContact CD1-CD1 3.84Å; L75-F82 HydrophobicContact CD2-CD2 3.67Å; L75-F82 HydrophobicContact CD2-CE2 3.87Å
76P70.8Confident76.1Confident113 Ų113102.8 Ų102.873%0.73452%0.521SS*.SBendtrans-70.4-12.3176.525.8-30.6000112.7
77F72.9Confident74.7Confident49 Ų49102.2 Ų102.222%0.21551%0.511CS..SBendtrans-146.1164.4177.435.7-104.4000110.2L75 D81 F82 L86L75-F77 WeakPolarHBondContact CB-O 3.43Å; L75-F77 PolarHBondContact O-N 3.39Å; F77-D81 HydrophobicContact CB-CB 4.23Å; F77-D81 HydrophobicContact CD2-CB 4.1Å; F77-D81 HydrophobicContact CG-CB 4.39Å; F77-F82 HydrophobicContact CD2-CB 4.18Å; F77-F82 HydrophobicContact CE2-CB 3.88Å; F77-F82 AromaticContact CE2-CD2 3.87Å; F77-F82 HydrophobicContact CE2-CD2 3.87Å; F77-F82 HydrophobicContact CE2-CG 4.3Å; F77-L86 HydrophobicContact CE2-CD1 4.1Å; F77-L86 HydrophobicContact CZ-CD1 3.94Å
78P76Confident73.3Confident87 Ų87108 Ų10857%0.56552%0.524SS*.  trans-56153.5176.1-23.734.2000113.2S80 D81 F82P78-S80 VanDerWaalsContact C-N 3.25Å; P78-S80 PolarHBondContact O-N 2.76Å; P78-D81 WeakPolarHBondContact O-CB 3.3Å; P78-D81 PolarHBondContact O-N 2.76Å; P78-F82 PolarHBondContact O-N 3.06Å; P78-F82 VanDerWaalsContact O-N 3.09Å
79L70.6Confident71.7Confident120 Ų120109.3 Ų109.363%0.62854%0.541SS*.Hα-helixtrans-62.4-29-176.9-170.771.1000113.5L75 F82 K83L75-L79 HydrophobicContact CD1-CB 4.27Å; L75-L79 HydrophobicContact CD1-CD1 3.84Å; L79-F82 HydrophobicContact CD1-CB 4.32Å; L79-F82 HydrophobicContact CD1-CD1 4.41Å; L79-F82 HydrophobicContact CD1-CG 4.45Å; L79-F82 VanDerWaalsContact O-CB 3.27Å; L79-F82 WeakPolarHBondContact O-CB 3.35Å; L79-F82 PolarHBondContact O-N 3.23Å; L79-F82 VanDerWaalsContact O-N 3.17Å; L79-K83 PolarHBondContact O-N 3.38Å
80S72.9Confident70Confident79 Ų79109 Ų10955%0.55252%0.524SS*.Hα-helixtrans-59-52.7173.846.60000110.8P78 F82 K83 D84P78-S80 VanDerWaalsContact C-N 3.25Å; P78-S80 PolarHBondContact O-N 2.76Å; S80-F82 PolarHBondContact O-N 3.14Å; S80-K83 PolarHBondContact O-N 3.08Å; S80-D84 PolarHBondContact O-N 3.27Å
81D70.4Confident68Low69 Ų69110.4 Ų110.437%0.36954%0.536SS..Hα-helixtrans-61.7-26.5174.6-101.817000112.5F77 P78 D84 R85F77-D81 HydrophobicContact CB-CB 4.23Å; F77-D81 HydrophobicContact CD2-CB 4.1Å; F77-D81 HydrophobicContact CG-CB 4.39Å; P78-D81 WeakPolarHBondContact O-CB 3.3Å; P78-D81 PolarHBondContact O-N 2.76Å; D81-D84 PolarHBondContact O-N 3.3Å; D81-R85 VanDerWaalsContact O-CB 3.31Å; D81-R85 WeakPolarHBondContact O-CB 3.34Å; D81-R85 WeakPolarHBondContact O-CG 3.39Å; D81-R85 PolarHBondContact O-N 3.11Å
82F67Low67.3Low56 Ų56108.6 Ų108.625%0.24654%0.535CS..Hα-helixtrans-64-45.3176.3-177.4-83.6000112.2L57 L75 F77 P78 L79 S80 L86L57-F82 HydrophobicContact CD1-CE2 3.84Å; L57-F82 HydrophobicContact CD1-CZ 3.73Å; L75-F82 HydrophobicContact CD2-CD2 3.67Å; L75-F82 HydrophobicContact CD2-CE2 3.87Å; F77-F82 HydrophobicContact CD2-CB 4.18Å; F77-F82 HydrophobicContact CE2-CB 3.88Å; F77-F82 AromaticContact CE2-CD2 3.87Å; F77-F82 HydrophobicContact CE2-CD2 3.87Å; F77-F82 HydrophobicContact CE2-CG 4.3Å; P78-F82 PolarHBondContact O-N 3.06Å; P78-F82 VanDerWaalsContact O-N 3.09Å; L79-F82 HydrophobicContact CD1-CB 4.32Å; L79-F82 HydrophobicContact CD1-CD1 4.41Å; L79-F82 HydrophobicContact CD1-CG 4.45Å; L79-F82 VanDerWaalsContact O-CB 3.27Å; L79-F82 WeakPolarHBondContact O-CB 3.35Å; L79-F82 PolarHBondContact O-N 3.23Å; L79-F82 VanDerWaalsContact O-N 3.17Å; S80-F82 PolarHBondContact O-N 3.14Å; F82-L86 HydrophobicContact CD1-CD1 4.38Å; F82-L86 HydrophobicContact CD2-CD1 3.26Å; F82-L86 HydrophobicContact CE1-CD1 4.31Å; F82-L86 HydrophobicContact CE2-CD1 3.19Å; F82-L86 HydrophobicContact CG-CD1 3.89Å; F82-L86 HydrophobicContact CZ-CD1 3.75Å; F82-L86 VanDerWaalsContact O-CB 3.29Å; F82-L86 WeakPolarHBondContact O-CB 3.49Å; F82-L86 PolarHBondContact O-N 3.19Å
83K66.5Low66.8Low144 Ų144104.2 Ų104.263%0.62652%0.52SS*.Hα-helixtrans-61.6-47.6174.6-82.7-170.1170.9-178.20110.8L79 S80 L87L79-K83 PolarHBondContact O-N 3.38Å; S80-K83 PolarHBondContact O-N 3.08Å; K83-L87 HydrophobicContact CB-CD1 4.34Å; K83-L87 HydrophobicContact CG-CD1 3.96Å; K83-L87 VanDerWaalsContact O-CB 3.26Å; K83-L87 WeakPolarHBondContact O-CB 3.27Å; K83-L87 PolarHBondContact O-N 2.84Å
84D67.7Low66.3Low68 Ų68103.6 Ų103.636%0.36452%0.52SS..Hα-helixtrans-66-40.7-176.4-78.8-49.2000113.4S80 D81 R88S80-D84 PolarHBondContact O-N 3.27Å; D81-D84 PolarHBondContact O-N 3.3Å; D84-R88 VanDerWaalsContact CG-NH2 3.29Å; D84-R88 WeakPolarHBondContact O-CB 3.41Å; D84-R88 WeakPolarHBondContact O-CD 3.45Å; D84-R88 WeakPolarHBondContact O-CG 3.24Å; D84-R88 IonicContact OD1-CZ 3.3Å; D84-R88 VanDerWaalsContact OD1-CZ 3.3Å; D84-R88 IonicContact OD1-NE 2.98Å; D84-R88 PolarHBondContact OD1-NE 3.29Å; D84-R88 IonicContact OD1-NH2 2.76Å; D84-R88 PolarHBondContact OD1-NH2 3.3Å; D84-R88 IonicContact OD2-NH2 3.88Å
85R63.9Low65.7Low159 Ų15998.7 Ų98.760%0.650%0.503SS*.Hα-helixtrans-84.8-31.8-176.7-66.5-178.8104.4170.67.6113.3D81D81-R85 VanDerWaalsContact O-CB 3.31Å; D81-R85 WeakPolarHBondContact O-CB 3.34Å; D81-R85 WeakPolarHBondContact O-CG 3.39Å; D81-R85 PolarHBondContact O-N 3.11Å
86L64.3Low65.3Low41 Ų4199.3 Ų99.322%0.21551%0.505CS..Hα-helixtrans-102.5-24.7-173-76.3154.8000114.4L57 F77 F82 F90L57-L86 HydrophobicContact CD1-CB 4.39Å; L57-L86 HydrophobicContact CD1-CD1 3.43Å; L57-L86 VanDerWaalsContact CD1-CD1 3.43Å; L57-L86 HydrophobicContact CD1-CD2 3.52Å; L57-L86 HydrophobicContact CD1-CG 3.96Å; L57-L86 HydrophobicContact CD2-CD2 3.63Å; L57-L86 HydrophobicContact CG-CD2 4.1Å; F77-L86 HydrophobicContact CE2-CD1 4.1Å; F77-L86 HydrophobicContact CZ-CD1 3.94Å; F82-L86 HydrophobicContact CD1-CD1 4.38Å; F82-L86 HydrophobicContact CD2-CD1 3.26Å; F82-L86 HydrophobicContact CE1-CD1 4.31Å; F82-L86 HydrophobicContact CE2-CD1 3.19Å; F82-L86 HydrophobicContact CG-CD1 3.89Å; F82-L86 HydrophobicContact CZ-CD1 3.75Å; F82-L86 VanDerWaalsContact O-CB 3.29Å; F82-L86 WeakPolarHBondContact O-CB 3.49Å; F82-L86 PolarHBondContact O-N 3.19Å; L86-F90 WeakPolarHBondContact O-CD2 3.09Å; L86-F90 WeakPolarHBondContact O-CE2 3.18Å
87L63.7Low64.9Low72 Ų7298.4 Ų98.438%0.37749%0.49SS..Hα-helixtrans-97.3-26.6177-57.2178.5000112.9K83 P89 F90 L91K83-L87 HydrophobicContact CB-CD1 4.34Å; K83-L87 HydrophobicContact CG-CD1 3.96Å; K83-L87 VanDerWaalsContact O-CB 3.26Å; K83-L87 WeakPolarHBondContact O-CB 3.27Å; K83-L87 PolarHBondContact O-N 2.84Å; L87-P89 VanDerWaalsContact C-CD 3.41Å; L87-P89 VanDerWaalsContact C-N 3.33Å; L87-F90 CarbonylContact O-C 3.42Å; L87-F90 WeakPolarHBondContact O-CA 3.46Å; L87-F90 PolarHBondContact O-N 3.4Å; L87-L91 HydrophobicContact CB-CD1 4.28Å; L87-L91 PolarHBondContact O-N 3.07Å; L87-L91 VanDerWaalsContact O-N 3.12Å
88R62.7Low64.3Low162 Ų162101.9 Ų101.961%0.61151%0.51SS*.G310 helixtrans-56.6-33.4178.3-78-175.7-163.4-158.95.3115.4D84 F90D84-R88 VanDerWaalsContact CG-NH2 3.29Å; D84-R88 WeakPolarHBondContact O-CB 3.41Å; D84-R88 WeakPolarHBondContact O-CD 3.45Å; D84-R88 WeakPolarHBondContact O-CG 3.24Å; D84-R88 IonicContact OD1-CZ 3.3Å; D84-R88 VanDerWaalsContact OD1-CZ 3.3Å; D84-R88 IonicContact OD1-NE 2.98Å; D84-R88 PolarHBondContact OD1-NE 3.29Å; D84-R88 IonicContact OD1-NH2 2.76Å; D84-R88 PolarHBondContact OD1-NH2 3.3Å; D84-R88 IonicContact OD2-NH2 3.88Å; R88-F90 PolarHBondContact O-N 2.91Å; R88-F90 VanDerWaalsContact O-N 3.1Å
89P57.8Low63.5Low93 Ų93103.1 Ų103.160%0.60451%0.506SS*.G310 helixtrans-66.3-7.8173.5-20.332.7000113.7L87L87-P89 VanDerWaalsContact C-CD 3.41Å; L87-P89 VanDerWaalsContact C-N 3.33Å
90F53.1Low62.9Low80 Ų80101.7 Ų101.735%0.35150%0.495SS..G310 helixtrans-128.55.7-171.4-48.4-78.3000113.4A5 T44 L86 L87 R88A5-F90 HydrophobicContact CB-CE1 3.93Å; A5-F90 HydrophobicContact CB-CZ 4.14Å; T44-F90 HydrophobicContact CG2-CE2 4.34Å; T44-F90 HydrophobicContact CG2-CZ 3.74Å; L86-F90 WeakPolarHBondContact O-CD2 3.09Å; L86-F90 WeakPolarHBondContact O-CE2 3.18Å; L87-F90 CarbonylContact O-C 3.42Å; L87-F90 WeakPolarHBondContact O-CA 3.46Å; L87-F90 PolarHBondContact O-N 3.4Å; R88-F90 PolarHBondContact O-N 2.91Å; R88-F90 VanDerWaalsContact O-N 3.1Å
91L44.3Very low62Low197 Ų197103.7 Ų103.7100%1.03149%0.49SS*.  trans-120.80171.7-75.4173.6000108.8L87L87-L91 HydrophobicContact CB-CD1 4.28Å; L87-L91 PolarHBondContact O-N 3.07Å; L87-L91 VanDerWaalsContact O-N 3.12Å

Retrieved 91 of 91 residues in 18.4 ms (Link to these results)

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