A0A3Q0KU85_SCHMA Loading...

sn-1-specific diacylglycerol lipase ABHD11

AlphaFold DB , UniProt , Accession A0A3Q0KU85, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 155 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
1M47.3Very low82.5Confident172 Ų17282.8 Ų82.885%0.84746%0.462SS*.  0124.30-86.9168.1172.400107.5S3 V32M1-S3 PolarHBondContact O-N 3.11Å; M1-V32 HydrophobicContact CE-CG2 3.89Å
2S53.9Low83.5Confident94 Ų9487.1 Ų87.166%0.65747%0.472SS*.  trans-51.1136.4159.537.90000107.8V4S2-V4 PolarHBondContact O-N 3.25Å
3S73.8Confident84.4Confident118 Ų11884.3 Ų84.383%0.82545%0.451SS*.  trans-58.3115.6171.750.70000107.9M1 D5M1-S3 PolarHBondContact O-N 3.11Å; S3-D5 PolarHBondContact O-N 2.64Å
4V83.7Confident85.2Confident37 Ų3789.5 Ų89.522%0.22448%0.479CS..  trans-69.1114.2173.9174.40000107.6S2 L6 L9 L24 W28S2-V4 PolarHBondContact O-N 3.25Å; V4-L6 HydrophobicContact CG1-CD2 3.73Å; V4-L6 HydrophobicContact CG1-CG 4.18Å; V4-L6 PolarHBondContact O-N 2.78Å; V4-L6 VanDerWaalsContact O-N 3.1Å; V4-L9 HydrophobicContact CG1-CD2 4.39Å; V4-L24 HydrophobicContact CG1-CD1 4.48Å; V4-L24 HydrophobicContact CG1-CD2 3.85Å; V4-L24 HydrophobicContact CG2-CD2 4.3Å; V4-W28 HydrophobicContact CG2-CZ2 4.07Å
5D90.1Very high85.7Confident97 Ų9783.9 Ų83.952%0.51945%0.45SS..  trans-7989.4171.8-173.1-14.2000109.3S3 K7 A8 L9S3-D5 PolarHBondContact O-N 2.64Å; D5-K7 PolarHBondContact O-N 2.88Å; D5-K7 WeakPolarHBondContact OD1-CB 3.45Å; D5-K7 PolarHBondContact OD1-N 3.47Å; D5-A8 HydrophobicContact CB-CB 3.97Å; D5-A8 VanDerWaalsContact CG-CB 3.43Å; D5-A8 PolarHBondContact O-N 3.42Å; D5-A8 PolarHBondContact OD1-N 2.98Å; D5-A8 WeakPolarHBondContact OD2-CB 3.37Å; D5-L9 VanDerWaalsContact O-CB 3.3Å; D5-L9 WeakPolarHBondContact O-CB 3.39Å; D5-L9 PolarHBondContact O-N 3.41Å
6L93Very high86.3Confident12 Ų1283.7 Ų83.76%0.06345%0.449CS..Hα-helixtrans-64.5-24.7178.6-71.6-177.6000113V4 G10 V20 L24 L45 I52 W54V4-L6 HydrophobicContact CG1-CD2 3.73Å; V4-L6 HydrophobicContact CG1-CG 4.18Å; V4-L6 PolarHBondContact O-N 2.78Å; V4-L6 VanDerWaalsContact O-N 3.1Å; L6-G10 WeakPolarHBondContact O-CA 3.3Å; L6-G10 PolarHBondContact O-N 3.22Å; L6-V20 HydrophobicContact CD2-CG1 4.46Å; L6-L24 HydrophobicContact CD2-CD1 4.21Å; L6-L45 HydrophobicContact CD1-CD2 3.66Å; L6-L45 HydrophobicContact CD2-CD2 3.89Å; L6-L45 HydrophobicContact CG-CD2 4.46Å; L6-I52 HydrophobicContact CD1-CG2 4.46Å; L6-I52 HydrophobicContact CD2-CG2 4.28Å; L6-W54 HydrophobicContact CD1-CD2 3.91Å; L6-W54 HydrophobicContact CD1-CG 3.69Å; L6-W54 VanDerWaalsContact CD1-NE1 3.32Å
7K90.8Very high86.9Confident149 Ų14980.3 Ų80.365%0.64843%0.431SS*.Hα-helixtrans-71-50.4176.3-69.2-171.9172.9-166.70110D5 L9 G10 H11D5-K7 PolarHBondContact O-N 2.88Å; D5-K7 WeakPolarHBondContact OD1-CB 3.45Å; D5-K7 PolarHBondContact OD1-N 3.47Å; K7-L9 VanDerWaalsContact C-N 3.32Å; K7-L9 PolarHBondContact O-N 3.02Å; K7-G10 PolarHBondContact O-N 3.14Å; K7-H11 WeakPolarHBondContact O-CB 3.3Å; K7-H11 PolarHBondContact O-N 3.4Å
8A92.7Very high87.4Confident53 Ų5377.4 Ų77.444%0.43842%0.423SS..Hα-helixtrans-61.4-41.7175.800000111.8D5 H11 K12D5-A8 HydrophobicContact CB-CB 3.97Å; D5-A8 VanDerWaalsContact CG-CB 3.43Å; D5-A8 PolarHBondContact O-N 3.42Å; D5-A8 PolarHBondContact OD1-N 2.98Å; D5-A8 WeakPolarHBondContact OD2-CB 3.37Å; A8-H11 PolarHBondContact O-N 3.06Å; A8-K12 WeakPolarHBondContact O-CB 3.47Å; A8-K12 PolarHBondContact O-N 2.81Å
9L93.6Very high87.9Confident21 Ų2178.3 Ų78.311%0.1143%0.425CS..Hα-helixtrans-69.7-38.4179.3-165.361.1000112.4V4 D5 K7 K12 Y13 V20 L24V4-L9 HydrophobicContact CG1-CD2 4.39Å; D5-L9 VanDerWaalsContact O-CB 3.3Å; D5-L9 WeakPolarHBondContact O-CB 3.39Å; D5-L9 PolarHBondContact O-N 3.41Å; K7-L9 VanDerWaalsContact C-N 3.32Å; K7-L9 PolarHBondContact O-N 3.02Å; L9-K12 HydrophobicContact CD1-CD 4.29Å; L9-K12 PolarHBondContact O-N 2.83Å; L9-Y13 HydrophobicContact CD1-CD2 4.07Å; L9-Y13 HydrophobicContact CD1-CE2 3.59Å; L9-Y13 HydrophobicContact CG-CD2 4.26Å; L9-Y13 HydrophobicContact CG-CE2 4.18Å; L9-Y13 VanDerWaalsContact O-CD2 3.31Å; L9-Y13 WeakPolarHBondContact O-CD2 3.42Å; L9-Y13 PolarHBondContact O-N 3.4Å; L9-V20 HydrophobicContact CD2-CG1 3.77Å; L9-V20 HydrophobicContact CG-CG1 4.12Å; L9-V20 HydrophobicContact CG-CG2 4.3Å; L9-L24 HydrophobicContact CD2-CD1 3.99Å; L9-L24 HydrophobicContact CD2-CD2 3.62Å; L9-L24 HydrophobicContact CD2-CG 3.71Å
10G94.3Very high88.3Confident3 Ų374.4 Ų74.43%0.03140%0.404CS..Hα-helixtrans-61.3-48.9172.500000111.4L6 K7 K12 Y13 N14 G15L6-G10 WeakPolarHBondContact O-CA 3.3Å; L6-G10 PolarHBondContact O-N 3.22Å; K7-G10 PolarHBondContact O-N 3.14Å; G10-K12 VanDerWaalsContact C-N 3.35Å; G10-K12 PolarHBondContact O-N 3.42Å; G10-Y13 CarbonylContact O-C 3.39Å; G10-Y13 PolarHBondContact O-N 2.91Å; G10-Y13 VanDerWaalsContact O-N 3.12Å; G10-N14 PolarHBondContact O-N 3.22Å; G10-N14 VanDerWaalsContact O-N 3.09Å; G10-G15 PolarHBondContact O-N 2.92Å
11H93.9Very high88.8Confident155 Ų15574.4 Ų74.472%0.71840%0.398SS*.Hα-helixtrans-59-44.2175.9-178.7-87.9000112K7 A8 Y13 N14K7-H11 WeakPolarHBondContact O-CB 3.3Å; K7-H11 PolarHBondContact O-N 3.4Å; A8-H11 PolarHBondContact O-N 3.06Å; H11-Y13 PolarHBondContact O-N 3.21Å; H11-Y13 VanDerWaalsContact O-N 3.15Å; H11-N14 PolarHBondContact O-N 2.72Å; H11-N14 VanDerWaalsContact O-N 3.13Å
12K94.9Very high91.1Very high134 Ų13470.8 Ų70.858%0.58338%0.382SS*.Hα-helixtrans-55-32.9176.4176.5179.8174.6-1760113A8 L9 G10A8-K12 WeakPolarHBondContact O-CB 3.47Å; A8-K12 PolarHBondContact O-N 2.81Å; L9-K12 HydrophobicContact CD1-CD 4.29Å; L9-K12 PolarHBondContact O-N 2.83Å; G10-K12 VanDerWaalsContact C-N 3.35Å; G10-K12 PolarHBondContact O-N 3.42Å
13Y95.7Very high93.2Very high51 Ų5167.4 Ų67.420%0.236%0.359CS..THydrogen-bonded Turntrans-110.723.6-178.8-63.7-62.5000113.3L9 G10 H11 G15 N16 M19 V20 S23L9-Y13 HydrophobicContact CD1-CD2 4.07Å; L9-Y13 HydrophobicContact CD1-CE2 3.59Å; L9-Y13 HydrophobicContact CG-CD2 4.26Å; L9-Y13 HydrophobicContact CG-CE2 4.18Å; L9-Y13 VanDerWaalsContact O-CD2 3.31Å; L9-Y13 WeakPolarHBondContact O-CD2 3.42Å; L9-Y13 PolarHBondContact O-N 3.4Å; G10-Y13 CarbonylContact O-C 3.39Å; G10-Y13 PolarHBondContact O-N 2.91Å; G10-Y13 VanDerWaalsContact O-N 3.12Å; H11-Y13 PolarHBondContact O-N 3.21Å; H11-Y13 VanDerWaalsContact O-N 3.15Å; Y13-G15 PolarHBondContact O-N 3.31Å; Y13-N16 WeakPolarHBondContact O-CB 3.18Å; Y13-N16 PolarHBondContact O-N 3.38Å; Y13-M19 HydrophobicContact CD1-CB 3.81Å; Y13-M19 HydrophobicContact CD1-CE 4.23Å; Y13-M19 HydrophobicContact CD2-CB 4.42Å; Y13-M19 HydrophobicContact CE1-CB 4.46Å; Y13-M19 HydrophobicContact CE1-CE 4.27Å; Y13-M19 HydrophobicContact CG-CB 3.79Å; Y13-V20 HydrophobicContact CD2-CG2 3.77Å; Y13-V20 HydrophobicContact CG-CG2 4.44Å; Y13-S23 WeakPolarHBondContact OH-CB 3.24Å; Y13-S23 PolarHBondContact OH-OG 3.17Å
14N94.7Very high94.2Very high157 Ų15761.8 Ų61.884%0.8432%0.32SS*.THydrogen-bonded Turntrans51.639.9178.2-59.7-21.7000113.6G10 H11 N16G10-N14 PolarHBondContact O-N 3.22Å; G10-N14 VanDerWaalsContact O-N 3.09Å; H11-N14 PolarHBondContact O-N 2.72Å; H11-N14 VanDerWaalsContact O-N 3.13Å; N14-N16 PolarHBondContact O-N 3.35Å
15G93.7Very high94.8Very high5 Ų562.3 Ų62.35%0.05232%0.32CS..THydrogen-bonded Turntrans73.22.7-177.700000115.2G10 Y13 I17 G50 I52G10-G15 PolarHBondContact O-N 2.92Å; Y13-G15 PolarHBondContact O-N 3.31Å; G15-I17 PolarHBondContact O-N 2.97Å; G15-G50 VanDerWaalsContact CA-O 3.26Å; G15-G50 WeakPolarHBondContact CA-O 3.28Å; G15-I52 WeakPolarHBondContact O-CD1 3.25Å
16N95.4Very high95.1Very high81 Ų8165.7 Ų65.743%0.43333%0.33SS..  trans-73102.5-178.6-173.1-56.6000111.6Y13 N14 G18 M19 V20Y13-N16 WeakPolarHBondContact O-CB 3.18Å; Y13-N16 PolarHBondContact O-N 3.38Å; N14-N16 PolarHBondContact O-N 3.35Å; N16-G18 PolarHBondContact O-N 2.91Å; N16-G18 WeakPolarHBondContact OD1-CA 3.38Å; N16-G18 PolarHBondContact OD1-N 3.48Å; N16-M19 HydrophobicContact CB-CB 4.15Å; N16-M19 HydrophobicContact CB-CG 4.15Å; N16-M19 PolarHBondContact O-N 2.96Å; N16-M19 PolarHBondContact OD1-N 2.84Å; N16-V20 PolarHBondContact O-N 3.49Å; N16-V20 VanDerWaalsContact O-N 3.09Å
17I96.3Very high95.2Very high26 Ų2669.9 Ų69.913%0.13335%0.349CS..Hα-helixtrans-60.6-32.4-179.2-166.5166.3000113.4G15 V20 R21 L45 E47 I52G15-I17 PolarHBondContact O-N 2.97Å; I17-V20 PolarHBondContact O-N 2.69Å; I17-R21 VanDerWaalsContact CD1-NH2 3.3Å; I17-R21 HydrophobicContact CG1-CG 4.41Å; I17-R21 WeakPolarHBondContact O-CB 3.23Å; I17-R21 VanDerWaalsContact O-CG 3.28Å; I17-R21 WeakPolarHBondContact O-CG 3.48Å; I17-R21 PolarHBondContact O-N 3.28Å; I17-L45 HydrophobicContact CD1-CB 3.95Å; I17-L45 HydrophobicContact CG1-CB 4.3Å; I17-E47 HydrophobicContact CB-CB 4.36Å; I17-E47 HydrophobicContact CD1-CB 4.18Å; I17-E47 WeakPolarHBondContact CG2-OE2 3.49Å; I17-I52 HydrophobicContact CB-CD1 3.65Å; I17-I52 HydrophobicContact CD1-CD1 4.32Å; I17-I52 HydrophobicContact CG1-CD1 3.98Å
18G96.4Very high95.4Very high29 Ų2963.5 Ų63.530%0.29932%0.321SS..Hα-helixtrans-64-44.5177.500000112N16 R21 N22N16-G18 PolarHBondContact O-N 2.91Å; N16-G18 WeakPolarHBondContact OD1-CA 3.38Å; N16-G18 PolarHBondContact OD1-N 3.48Å; G18-R21 PolarHBondContact O-N 3.2Å; G18-N22 WeakPolarHBondContact O-CB 3.27Å; G18-N22 VanDerWaalsContact O-CG 3.23Å; G18-N22 PolarHBondContact O-N 3.41Å; G18-N22 PolarHBondContact O-ND2 2.67Å
19M96.6Very high95.5Very high93 Ų9365 Ų6546%0.45832%0.322SS..Hα-helixtrans-66.7-39.7176.2-69.7-63.6-77.700111.9Y13 N16 N22 S23Y13-M19 HydrophobicContact CD1-CB 3.81Å; Y13-M19 HydrophobicContact CD1-CE 4.23Å; Y13-M19 HydrophobicContact CD2-CB 4.42Å; Y13-M19 HydrophobicContact CE1-CB 4.46Å; Y13-M19 HydrophobicContact CE1-CE 4.27Å; Y13-M19 HydrophobicContact CG-CB 3.79Å; N16-M19 HydrophobicContact CB-CB 4.15Å; N16-M19 HydrophobicContact CB-CG 4.15Å; N16-M19 PolarHBondContact O-N 2.96Å; N16-M19 PolarHBondContact OD1-N 2.84Å; M19-N22 PolarHBondContact O-N 3.07Å; M19-S23 WeakPolarHBondContact O-CB 3.45Å; M19-S23 PolarHBondContact O-N 2.82Å
20V96.4Very high95.6Very high0 Ų073 Ų730%036%0.356CS..Hα-helixtrans-60.2-49.5173.21720000111.1L6 L9 Y13 N16 I17 N22 S23 L24 L45 I52L6-V20 HydrophobicContact CD2-CG1 4.46Å; L9-V20 HydrophobicContact CD2-CG1 3.77Å; L9-V20 HydrophobicContact CG-CG1 4.12Å; L9-V20 HydrophobicContact CG-CG2 4.3Å; Y13-V20 HydrophobicContact CD2-CG2 3.77Å; Y13-V20 HydrophobicContact CG-CG2 4.44Å; N16-V20 PolarHBondContact O-N 3.49Å; N16-V20 VanDerWaalsContact O-N 3.09Å; I17-V20 PolarHBondContact O-N 2.69Å; V20-N22 VanDerWaalsContact C-N 3.34Å; V20-N22 PolarHBondContact O-N 3.39Å; V20-S23 WeakPolarHBondContact O-CB 3.28Å; V20-S23 PolarHBondContact O-N 2.71Å; V20-L24 HydrophobicContact CG1-CD1 3.87Å; V20-L24 HydrophobicContact CG1-CG 4.48Å; V20-L24 WeakPolarHBondContact O-CG 3.24Å; V20-L24 PolarHBondContact O-N 3.07Å; V20-L45 HydrophobicContact CG1-CD1 3.97Å; V20-I52 HydrophobicContact CG1-CG2 4.27Å; V20-I52 HydrophobicContact CG2-CG1 4.22Å
21R97.2Very high95.5Very high75 Ų7576.8 Ų76.828%0.28338%0.378SS..Hα-helixtrans-58.1-46.2176.6-73.7-178.5177.6129.92.2111.4I17 G18 S23 L24 M25 L42 L45I17-R21 VanDerWaalsContact CD1-NH2 3.3Å; I17-R21 HydrophobicContact CG1-CG 4.41Å; I17-R21 WeakPolarHBondContact O-CB 3.23Å; I17-R21 VanDerWaalsContact O-CG 3.28Å; I17-R21 WeakPolarHBondContact O-CG 3.48Å; I17-R21 PolarHBondContact O-N 3.28Å; G18-R21 PolarHBondContact O-N 3.2Å; R21-S23 VanDerWaalsContact C-N 3.3Å; R21-S23 PolarHBondContact O-N 2.86Å; R21-L24 PolarHBondContact O-N 3.36Å; R21-M25 WeakPolarHBondContact O-CB 3.47Å; R21-M25 VanDerWaalsContact O-CG 3.29Å; R21-M25 WeakPolarHBondContact O-CG 2.81Å; R21-M25 PolarHBondContact O-N 2.97Å; R21-L42 HydrophobicContact CB-CD1 4.39Å; R21-L42 HydrophobicContact CG-CB 4.13Å; R21-L42 PolarHBondContact NE-O 3.38Å; R21-L42 WeakPolarHBondContact O-CD1 3.45Å; R21-L45 HydrophobicContact CG-CD1 3.98Å; R21-L45 PolarHBondContact NH2-O 3.32Å
22N97Very high95.5Very high97 Ų9770.3 Ų70.352%0.51935%0.35SS..Hα-helixtrans-62.5-36.6178.3-72.8-18.6000112.8G18 M19 V20G18-N22 WeakPolarHBondContact O-CB 3.27Å; G18-N22 VanDerWaalsContact O-CG 3.23Å; G18-N22 PolarHBondContact O-N 3.41Å; G18-N22 PolarHBondContact O-ND2 2.67Å; M19-N22 PolarHBondContact O-N 3.07Å; V20-N22 VanDerWaalsContact C-N 3.34Å; V20-N22 PolarHBondContact O-N 3.39Å
23S96.3Very high95.4Very high23 Ų2368.4 Ų68.416%0.16135%0.351CS..Hα-helixtrans-64.2-49.6174.6-165.80000111.1Y13 M19 V20 R21 K26 E27Y13-S23 WeakPolarHBondContact OH-CB 3.24Å; Y13-S23 PolarHBondContact OH-OG 3.17Å; M19-S23 WeakPolarHBondContact O-CB 3.45Å; M19-S23 PolarHBondContact O-N 2.82Å; V20-S23 WeakPolarHBondContact O-CB 3.28Å; V20-S23 PolarHBondContact O-N 2.71Å; R21-S23 VanDerWaalsContact C-N 3.3Å; R21-S23 PolarHBondContact O-N 2.86Å; S23-K26 PolarHBondContact O-N 2.76Å; S23-E27 PolarHBondContact O-N 3.44Å
24L96.3Very high95.1Very high0 Ų069 Ų690%036%0.358CS..Hα-helixtrans-69.6-33.3-178.8-66.2171.3000112.7V4 L6 L9 V20 R21 K26 E27 W28 L42 L45V4-L24 HydrophobicContact CG1-CD1 4.48Å; V4-L24 HydrophobicContact CG1-CD2 3.85Å; V4-L24 HydrophobicContact CG2-CD2 4.3Å; L6-L24 HydrophobicContact CD2-CD1 4.21Å; L9-L24 HydrophobicContact CD2-CD1 3.99Å; L9-L24 HydrophobicContact CD2-CD2 3.62Å; L9-L24 HydrophobicContact CD2-CG 3.71Å; V20-L24 HydrophobicContact CG1-CD1 3.87Å; V20-L24 HydrophobicContact CG1-CG 4.48Å; V20-L24 WeakPolarHBondContact O-CG 3.24Å; V20-L24 PolarHBondContact O-N 3.07Å; R21-L24 PolarHBondContact O-N 3.36Å; L24-K26 PolarHBondContact O-N 3.49Å; L24-E27 PolarHBondContact O-N 3.36Å; L24-W28 HydrophobicContact CB-CD2 4.4Å; L24-W28 HydrophobicContact CB-CH2 4.43Å; L24-W28 HydrophobicContact CB-CZ2 4.14Å; L24-W28 HydrophobicContact CD1-CH2 4.19Å; L24-W28 HydrophobicContact CD1-CZ2 3.94Å; L24-W28 HydrophobicContact CD2-CZ2 3.85Å; L24-W28 HydrophobicContact CG-CZ2 4.19Å; L24-W28 WeakPolarHBondContact O-CB 3.44Å; L24-W28 PolarHBondContact O-N 3.3Å; L24-L42 HydrophobicContact CB-CD1 4.22Å; L24-L42 HydrophobicContact CB-CD2 3.61Å; L24-L42 HydrophobicContact CD1-CD2 3.59Å; L24-L42 HydrophobicContact CG-CD2 4.26Å; L24-L45 HydrophobicContact CD1-CD1 3.82Å
25M96.8Very high95Very high48 Ų4864.8 Ų64.824%0.23634%0.339CS..Hα-helixtrans-54.5-36.3172.4-84.4-61.6-70.300112.3R21 P35 R38 A39 L42R21-M25 WeakPolarHBondContact O-CB 3.47Å; R21-M25 VanDerWaalsContact O-CG 3.29Å; R21-M25 WeakPolarHBondContact O-CG 2.81Å; R21-M25 PolarHBondContact O-N 2.97Å; M25-P35 HydrophobicContact CE-CB 4.38Å; M25-R38 HydrophobicContact CE-CB 4.18Å; M25-R38 WeakPolarHBondContact O-CD 3.29Å; M25-R38 PolarHBondContact O-NE 2.82Å; M25-R38 HydrophobicContact SD-CB 3.5Å; M25-R38 WeakPolarHBondContact SD-CB 3.4Å; M25-A39 HydrophobicContact CE-CB 4.47Å; M25-A39 HydrophobicContact SD-CB 4.24Å; M25-L42 HydrophobicContact CB-CD1 4.32Å; M25-L42 HydrophobicContact CG-CD1 3.46Å; M25-L42 VanDerWaalsContact CG-CD1 3.46Å; M25-L42 HydrophobicContact SD-CD1 3.57Å; M25-L42 VanDerWaalsContact SD-CD1 3.57Å
26K95.8Very high94.8Very high167 Ų16767.7 Ų67.773%0.72636%0.356SS*.Hα-helixtrans-83.2-44.2177.4-65.2176-178.1179.50111.6S23 L24 W28 D29S23-K26 PolarHBondContact O-N 2.76Å; L24-K26 PolarHBondContact O-N 3.49Å; K26-W28 VanDerWaalsContact C-N 3.33Å; K26-W28 PolarHBondContact O-N 2.87Å; K26-D29 VanDerWaalsContact O-CB 3.29Å; K26-D29 WeakPolarHBondContact O-CB 3.26Å; K26-D29 PolarHBondContact O-N 3.26Å
27E94.5Very high94.6Very high101 Ų10165.7 Ų65.747%0.47234%0.344SS..Hα-helixtrans-61.8-40.4-178.1-171.4-176.4138.600112.4S23 L24 D29S23-E27 PolarHBondContact O-N 3.44Å; L24-E27 PolarHBondContact O-N 3.36Å; E27-D29 VanDerWaalsContact C-N 3.26Å; E27-D29 PolarHBondContact O-N 3.32Å
28W95.3Very high94.5Very high15 Ų1565.3 Ų65.36%0.05734%0.341CS..THydrogen-bonded Turntrans-84.85.4-177.6-61.4-5.8000113.8V4 L24 K26 K30 T31 V32 R38 L41 L42 W54V4-W28 HydrophobicContact CG2-CZ2 4.07Å; L24-W28 HydrophobicContact CB-CD2 4.4Å; L24-W28 HydrophobicContact CB-CH2 4.43Å; L24-W28 HydrophobicContact CB-CZ2 4.14Å; L24-W28 HydrophobicContact CD1-CH2 4.19Å; L24-W28 HydrophobicContact CD1-CZ2 3.94Å; L24-W28 HydrophobicContact CD2-CZ2 3.85Å; L24-W28 HydrophobicContact CG-CZ2 4.19Å; L24-W28 WeakPolarHBondContact O-CB 3.44Å; L24-W28 PolarHBondContact O-N 3.3Å; K26-W28 VanDerWaalsContact C-N 3.33Å; K26-W28 PolarHBondContact O-N 2.87Å; W28-K30 PolarHBondContact O-N 3.38Å; W28-T31 WeakPolarHBondContact CA-OG1 3.17Å; W28-T31 PolarHBondContact O-N 2.87Å; W28-T31 VanDerWaalsContact O-N 3.11Å; W28-T31 PolarHBondContact O-OG1 2.69Å; W28-V32 CarbonylContact O-C 3.59Å; W28-V32 PolarHBondContact O-N 3.48Å; W28-R38 HydrophobicContact CB-CG 4.4Å; W28-L41 HydrophobicContact CZ3-CB 4.08Å; W28-L42 HydrophobicContact CE3-CD2 4.32Å; W28-L42 HydrophobicContact CE3-CG 4.42Å; W28-L42 HydrophobicContact CH2-CD2 3.45Å; W28-L42 VanDerWaalsContact CH2-CD2 3.45Å; W28-L42 HydrophobicContact CH2-CG 4.24Å; W28-L42 HydrophobicContact CZ2-CD2 4.34Å; W28-L42 HydrophobicContact CZ3-CD2 3.48Å; W28-L42 VanDerWaalsContact CZ3-CD2 3.48Å; W28-L42 HydrophobicContact CZ3-CG 3.75Å; W28-W54 AromaticContact CH2-CH2 3.51Å; W28-W54 HydrophobicContact CH2-CH2 3.51Å; W28-W54 HydrophobicContact CH2-CZ2 4.12Å; W28-W54 HydrophobicContact CH2-CZ3 4.5Å; W28-W54 HydrophobicContact CZ2-CH2 4.13Å; W28-W54 HydrophobicContact CZ2-CZ2 4.3Å; W28-W54 HydrophobicContact CZ3-CH2 4.46Å
29D95.3Very high94.4Very high83 Ų8366.2 Ų66.244%0.44435%0.345SS..THydrogen-bonded Turntrans-55.5-37.8-177.8-174.565.2000112.6K26 E27 P33 R38K26-D29 VanDerWaalsContact O-CB 3.29Å; K26-D29 WeakPolarHBondContact O-CB 3.26Å; K26-D29 PolarHBondContact O-N 3.26Å; E27-D29 VanDerWaalsContact C-N 3.26Å; E27-D29 PolarHBondContact O-N 3.32Å; D29-P33 VanDerWaalsContact O-CA 3.28Å; D29-P33 WeakPolarHBondContact O-CA 3.34Å; D29-R38 IonicContact OD1-CZ 2.74Å; D29-R38 VanDerWaalsContact OD1-CZ 3.3Å; D29-R38 IonicContact OD1-NH1 2.84Å; D29-R38 PolarHBondContact OD1-NH1 2.87Å; D29-R38 IonicContact OD1-NH2 3.31Å; D29-R38 PolarHBondContact OD1-NH2 3.32Å
30K94.2Very high94.3Very high191 Ų19166.2 Ų66.283%0.8334%0.343SS*.THydrogen-bonded Turntrans-78.7-31.8178-65.1-176.8178.9-179.70114W28W28-K30 PolarHBondContact O-N 3.38Å
31T93.9Very high94.2Very high82 Ų8268.8 Ų68.850%0.50336%0.357SS..THydrogen-bonded Turntrans-91.8-29.1-173.551.80000112.9W28W28-T31 WeakPolarHBondContact CA-OG1 3.17Å; W28-T31 PolarHBondContact O-N 2.87Å; W28-T31 VanDerWaalsContact O-N 3.11Å; W28-T31 PolarHBondContact O-OG1 2.69Å
32V93Very high94.1Very high19 Ų1965.4 Ų65.412%0.11534%0.344CS..SBendtrans-131.181.3175.2-176.50000107M1 W28 N34 M37 R38 L41M1-V32 HydrophobicContact CE-CG2 3.89Å; W28-V32 CarbonylContact O-C 3.59Å; W28-V32 PolarHBondContact O-N 3.48Å; V32-N34 VanDerWaalsContact C-N 3.26Å; V32-N34 PolarHBondContact O-N 3.25Å; V32-M37 HydrophobicContact CG1-CB 3.88Å; V32-M37 HydrophobicContact CG1-CG 3.6Å; V32-R38 HydrophobicContact CB-CG 3.71Å; V32-R38 HydrophobicContact CG1-CG 3.64Å; V32-R38 WeakPolarHBondContact O-CD 3.34Å; V32-R38 WeakPolarHBondContact O-CG 3.25Å; V32-R38 PolarHBondContact O-NH1 2.78Å; V32-L41 HydrophobicContact CG1-CD1 4.06Å; V32-L41 HydrophobicContact CG2-CD1 4.04Å
33P92.2Very high94.1Very high94 Ų9464.1 Ų64.161%0.6134%0.34SS*.  trans-62-28.1-170.4-2736.6000115.4D29 P35 R38D29-P33 VanDerWaalsContact O-CA 3.28Å; D29-P33 WeakPolarHBondContact O-CA 3.34Å; P33-P35 WeakPolarHBondContact O-CD 3.25Å; P33-R38 PolarHBondContact O-NH1 3.48Å
34N89.4Confident94Very high63 Ų6365.3 Ų65.334%0.33735%0.345SS..  trans-75.4116.3178.3-177.9-52.6000110.5V32 T36 M37 R38V32-N34 VanDerWaalsContact C-N 3.26Å; V32-N34 PolarHBondContact O-N 3.25Å; N34-T36 VanDerWaalsContact C-N 3.35Å; N34-T36 PolarHBondContact O-N 3Å; N34-T36 WeakPolarHBondContact OD1-CA 3.43Å; N34-T36 VanDerWaalsContact OD1-CB 3.22Å; N34-T36 WeakPolarHBondContact OD1-CB 3.12Å; N34-T36 PolarHBondContact OD1-N 2.82Å; N34-M37 HydrophobicContact CB-CB 3.88Å; N34-M37 WeakPolarHBondContact O-CB 3.39Å; N34-M37 PolarHBondContact O-N 3.37Å; N34-M37 PolarHBondContact OD1-N 2.87Å; N34-R38 PolarHBondContact O-N 3.25Å
35P93Very high94.1Very high69 Ų6965.3 Ų65.345%0.44835%0.345SS..Hα-helixtrans-67-33.3-177.526.8-34.4000113M25 P33 M37 R38 A39M25-P35 HydrophobicContact CE-CB 4.38Å; P33-P35 WeakPolarHBondContact O-CD 3.25Å; P35-M37 VanDerWaalsContact C-N 3.33Å; P35-R38 PolarHBondContact O-N 2.92Å; P35-A39 WeakPolarHBondContact O-CB 3.47Å; P35-A39 PolarHBondContact O-N 2.96Å
36T90.2Very high94Very high66 Ų6663.3 Ų63.341%0.40534%0.336SS..Hα-helixtrans-62.9-41.6174.2-48.20000110.7N34 A39 F40 W121 F124N34-T36 VanDerWaalsContact C-N 3.35Å; N34-T36 PolarHBondContact O-N 3Å; N34-T36 WeakPolarHBondContact OD1-CA 3.43Å; N34-T36 VanDerWaalsContact OD1-CB 3.22Å; N34-T36 WeakPolarHBondContact OD1-CB 3.12Å; N34-T36 PolarHBondContact OD1-N 2.82Å; T36-A39 PolarHBondContact O-N 2.87Å; T36-F40 WeakPolarHBondContact O-CB 3.34Å; T36-F40 PolarHBondContact O-N 3.46Å; T36-W121 HydrophobicContact CG2-CZ3 4.15Å; T36-F124 HydrophobicContact CG2-CE1 4.3Å
37M90Very high94Very high39 Ų3960.1 Ų60.119%0.19232%0.323CS..Hα-helixtrans-63.8-43173.6-17464.368.200111.7V32 N34 P35 F40 L41 H120 W121V32-M37 HydrophobicContact CG1-CB 3.88Å; V32-M37 HydrophobicContact CG1-CG 3.6Å; N34-M37 HydrophobicContact CB-CB 3.88Å; N34-M37 WeakPolarHBondContact O-CB 3.39Å; N34-M37 PolarHBondContact O-N 3.37Å; N34-M37 PolarHBondContact OD1-N 2.87Å; P35-M37 VanDerWaalsContact C-N 3.33Å; M37-F40 PolarHBondContact O-N 3.4Å; M37-F40 HydrophobicContact SD-CD1 4.36Å; M37-L41 HydrophobicContact CG-CD1 4.3Å; M37-L41 VanDerWaalsContact O-CG 3.3Å; M37-L41 WeakPolarHBondContact O-CG 3.35Å; M37-L41 PolarHBondContact O-N 3.33Å; M37-H120 HydrophobicContact CE-CB 4.13Å; M37-W121 HydrophobicContact CE-CH2 3.96Å; M37-W121 HydrophobicContact CE-CZ2 3.79Å; M37-W121 HydrophobicContact SD-CH2 3.68Å; M37-W121 HydrophobicContact SD-CZ2 3.72Å
38R94.9Very high93.9Very high18 Ų1861.9 Ų61.97%0.06833%0.33CS..Hα-helixtrans-59.8-48.7174.9-66.9-164.8-62.7-89.715.3111.8M25 W28 D29 V32 P33 N34 P35 F40 L41 L42M25-R38 HydrophobicContact CE-CB 4.18Å; M25-R38 WeakPolarHBondContact O-CD 3.29Å; M25-R38 PolarHBondContact O-NE 2.82Å; M25-R38 HydrophobicContact SD-CB 3.5Å; M25-R38 WeakPolarHBondContact SD-CB 3.4Å; W28-R38 HydrophobicContact CB-CG 4.4Å; D29-R38 IonicContact OD1-CZ 2.74Å; D29-R38 VanDerWaalsContact OD1-CZ 3.3Å; D29-R38 IonicContact OD1-NH1 2.84Å; D29-R38 PolarHBondContact OD1-NH1 2.87Å; D29-R38 IonicContact OD1-NH2 3.31Å; D29-R38 PolarHBondContact OD1-NH2 3.32Å; V32-R38 HydrophobicContact CB-CG 3.71Å; V32-R38 HydrophobicContact CG1-CG 3.64Å; V32-R38 WeakPolarHBondContact O-CD 3.34Å; V32-R38 WeakPolarHBondContact O-CG 3.25Å; V32-R38 PolarHBondContact O-NH1 2.78Å; P33-R38 PolarHBondContact O-NH1 3.48Å; N34-R38 PolarHBondContact O-N 3.25Å; P35-R38 PolarHBondContact O-N 2.92Å; R38-F40 VanDerWaalsContact C-N 3.31Å; R38-F40 PolarHBondContact O-N 3.26Å; R38-L41 PolarHBondContact O-N 3.3Å; R38-L42 WeakPolarHBondContact O-CB 3.47Å; R38-L42 VanDerWaalsContact O-CG 3.26Å; R38-L42 WeakPolarHBondContact O-CG 3.28Å; R38-L42 PolarHBondContact O-N 2.73Å
39A95Very high93.8Very high47 Ų4768.2 Ų68.239%0.38837%0.365SS..Hα-helixtrans-58.4-45179.400000111.2M25 P35 T36 L42 T43M25-A39 HydrophobicContact CE-CB 4.47Å; M25-A39 HydrophobicContact SD-CB 4.24Å; P35-A39 WeakPolarHBondContact O-CB 3.47Å; P35-A39 PolarHBondContact O-N 2.96Å; T36-A39 PolarHBondContact O-N 2.87Å; A39-L42 PolarHBondContact O-N 3.02Å; A39-T43 WeakPolarHBondContact O-CG2 3.44Å; A39-T43 PolarHBondContact O-N 3.27Å
40F92.9Very high93.4Very high93 Ų9366.3 Ų66.341%0.40836%0.364SS..Hα-helixtrans-60.4-49.9174.7171.6-101.1000112.8T36 M37 R38 L42 T43 W121T36-F40 WeakPolarHBondContact O-CB 3.34Å; T36-F40 PolarHBondContact O-N 3.46Å; M37-F40 PolarHBondContact O-N 3.4Å; M37-F40 HydrophobicContact SD-CD1 4.36Å; R38-F40 VanDerWaalsContact C-N 3.31Å; R38-F40 PolarHBondContact O-N 3.26Å; F40-L42 PolarHBondContact O-N 2.99Å; F40-T43 VanDerWaalsContact O-CB 3.32Å; F40-T43 WeakPolarHBondContact O-CB 3.49Å; F40-T43 WeakPolarHBondContact O-CG2 3.33Å; F40-T43 PolarHBondContact O-N 3.5Å; F40-T43 PolarHBondContact O-OG1 2.91Å; F40-W121 HydrophobicContact CB-CH2 3.19Å; F40-W121 HydrophobicContact CB-CZ2 4.09Å; F40-W121 HydrophobicContact CB-CZ3 3.66Å; F40-W121 AromaticContact CD1-CH2 3.34Å; F40-W121 HydrophobicContact CD1-CH2 3.34Å; F40-W121 AromaticContact CD1-CZ2 3.33Å; F40-W121 HydrophobicContact CD1-CZ2 3.33Å; F40-W121 HydrophobicContact CD1-CZ3 4.47Å; F40-W121 AromaticContact CD2-CH2 3.84Å; F40-W121 HydrophobicContact CD2-CH2 3.84Å; F40-W121 HydrophobicContact CD2-CZ2 4.02Å; F40-W121 HydrophobicContact CD2-CZ3 4.29Å; F40-W121 HydrophobicContact CE1-CH2 4.13Å; F40-W121 AromaticContact CE1-CZ2 3.65Å; F40-W121 HydrophobicContact CE1-CZ2 3.65Å; F40-W121 HydrophobicContact CE2-CZ2 4.29Å; F40-W121 AromaticContact CG-CH2 3.15Å; F40-W121 HydrophobicContact CG-CH2 3.15Å; F40-W121 AromaticContact CG-CZ2 3.53Å; F40-W121 HydrophobicContact CG-CZ2 3.53Å; F40-W121 AromaticContact CG-CZ3 3.9Å; F40-W121 HydrophobicContact CG-CZ3 3.9Å; F40-W121 HydrophobicContact CZ-CZ2 4.12Å
41L94.5Very high93.3Very high55 Ų5562.8 Ų62.829%0.28835%0.351SS..Hα-helixtrans-56.1-39.6177.9-71172.7000110.8W28 V32 M37 R38 T43 N44W28-L41 HydrophobicContact CZ3-CB 4.08Å; V32-L41 HydrophobicContact CG1-CD1 4.06Å; V32-L41 HydrophobicContact CG2-CD1 4.04Å; M37-L41 HydrophobicContact CG-CD1 4.3Å; M37-L41 VanDerWaalsContact O-CG 3.3Å; M37-L41 WeakPolarHBondContact O-CG 3.35Å; M37-L41 PolarHBondContact O-N 3.33Å; R38-L41 PolarHBondContact O-N 3.3Å; L41-T43 VanDerWaalsContact C-N 3.28Å; L41-T43 PolarHBondContact O-N 2.96Å; L41-N44 VanDerWaalsContact O-CB 3.27Å; L41-N44 WeakPolarHBondContact O-CB 3.3Å; L41-N44 PolarHBondContact O-N 3.04Å; L41-N44 VanDerWaalsContact O-N 3.14Å; L41-N44 PolarHBondContact O-ND2 3Å
42L96.3Very high93.4Very high3 Ų359.1 Ų59.12%0.01633%0.328CS..Hα-helixtrans-72.9-11.6179-69.2171.8000114.9R21 L24 M25 W28 R38 A39 F40 N44 L45R21-L42 HydrophobicContact CB-CD1 4.39Å; R21-L42 HydrophobicContact CG-CB 4.13Å; R21-L42 PolarHBondContact NE-O 3.38Å; R21-L42 WeakPolarHBondContact O-CD1 3.45Å; L24-L42 HydrophobicContact CB-CD1 4.22Å; L24-L42 HydrophobicContact CB-CD2 3.61Å; L24-L42 HydrophobicContact CD1-CD2 3.59Å; L24-L42 HydrophobicContact CG-CD2 4.26Å; M25-L42 HydrophobicContact CB-CD1 4.32Å; M25-L42 HydrophobicContact CG-CD1 3.46Å; M25-L42 VanDerWaalsContact CG-CD1 3.46Å; M25-L42 HydrophobicContact SD-CD1 3.57Å; M25-L42 VanDerWaalsContact SD-CD1 3.57Å; W28-L42 HydrophobicContact CE3-CD2 4.32Å; W28-L42 HydrophobicContact CE3-CG 4.42Å; W28-L42 HydrophobicContact CH2-CD2 3.45Å; W28-L42 VanDerWaalsContact CH2-CD2 3.45Å; W28-L42 HydrophobicContact CH2-CG 4.24Å; W28-L42 HydrophobicContact CZ2-CD2 4.34Å; W28-L42 HydrophobicContact CZ3-CD2 3.48Å; W28-L42 VanDerWaalsContact CZ3-CD2 3.48Å; W28-L42 HydrophobicContact CZ3-CG 3.75Å; R38-L42 WeakPolarHBondContact O-CB 3.47Å; R38-L42 VanDerWaalsContact O-CG 3.26Å; R38-L42 WeakPolarHBondContact O-CG 3.28Å; R38-L42 PolarHBondContact O-N 2.73Å; A39-L42 PolarHBondContact O-N 3.02Å; F40-L42 PolarHBondContact O-N 2.99Å; L42-N44 PolarHBondContact O-N 2.81Å; L42-L45 HydrophobicContact CD2-CD1 3.71Å; L42-L45 HydrophobicContact CD2-CG 4.27Å; L42-L45 WeakPolarHBondContact O-CB 3.42Å; L42-L45 PolarHBondContact O-N 3.18Å
43T95.5Very high93.5Very high71 Ų7162.2 Ų62.244%0.43634%0.34SS..Hα-helixtrans-65.1-23167.670.50000112A39 F40 L41 L45 K55A39-T43 WeakPolarHBondContact O-CG2 3.44Å; A39-T43 PolarHBondContact O-N 3.27Å; F40-T43 VanDerWaalsContact O-CB 3.32Å; F40-T43 WeakPolarHBondContact O-CB 3.49Å; F40-T43 WeakPolarHBondContact O-CG2 3.33Å; F40-T43 PolarHBondContact O-N 3.5Å; F40-T43 PolarHBondContact O-OG1 2.91Å; L41-T43 VanDerWaalsContact C-N 3.28Å; L41-T43 PolarHBondContact O-N 2.96Å; T43-L45 PolarHBondContact O-N 2.81Å; T43-K55 PolarHBondContact O-NZ 3.06Å; T43-K55 VanDerWaalsContact O-NZ 3.1Å
44N96.3Very high93.7Very high48 Ų4861.3 Ų61.326%0.25733%0.325SS..THydrogen-bonded Turntrans-75.60.6174.9-66.2-83.3000113.3L41 L42 W54 K55L41-N44 VanDerWaalsContact O-CB 3.27Å; L41-N44 WeakPolarHBondContact O-CB 3.3Å; L41-N44 PolarHBondContact O-N 3.04Å; L41-N44 VanDerWaalsContact O-N 3.14Å; L41-N44 PolarHBondContact O-ND2 3Å; L42-N44 PolarHBondContact O-N 2.81Å; N44-W54 HydrophobicContact CB-CE3 4.1Å; N44-W54 HydrophobicContact CB-CZ3 4.19Å; N44-K55 WeakPolarHBondContact O-CB 3.31Å; N44-K55 WeakPolarHBondContact O-CG 3.42Å; N44-K55 PolarHBondContact O-N 2.78Å
45L96.8Very high94Very high0 Ų064.3 Ų64.30%034%0.335CS..EExtended strand (participates in β ladder)trans-81.3133.3166.9-59.1-175.1000110.4L6 I17 V20 R21 L24 L42 T43 F53 W54 K55L6-L45 HydrophobicContact CD1-CD2 3.66Å; L6-L45 HydrophobicContact CD2-CD2 3.89Å; L6-L45 HydrophobicContact CG-CD2 4.46Å; I17-L45 HydrophobicContact CD1-CB 3.95Å; I17-L45 HydrophobicContact CG1-CB 4.3Å; V20-L45 HydrophobicContact CG1-CD1 3.97Å; R21-L45 HydrophobicContact CG-CD1 3.98Å; R21-L45 PolarHBondContact NH2-O 3.32Å; L24-L45 HydrophobicContact CD1-CD1 3.82Å; L42-L45 HydrophobicContact CD2-CD1 3.71Å; L42-L45 HydrophobicContact CD2-CG 4.27Å; L42-L45 WeakPolarHBondContact O-CB 3.42Å; L42-L45 PolarHBondContact O-N 3.18Å; T43-L45 PolarHBondContact O-N 2.81Å; L45-F53 WeakPolarHBondContact CA-O 3.22Å; L45-W54 HydrophobicContact CD2-CD2 3.92Å; L45-W54 HydrophobicContact CD2-CE3 3.67Å; L45-W54 HydrophobicContact CD2-CH2 4.19Å; L45-W54 HydrophobicContact CD2-CZ2 4.34Å; L45-W54 HydrophobicContact CD2-CZ3 3.82Å; L45-K55 WeakPolarHBondContact O-CE 3.38Å; L45-K55 PolarHBondContact O-NZ 3.24Å
46G96.1Very high94Very high5 Ų562.2 Ų62.25%0.05232%0.323CS..EExtended strand (participates in β ladder)trans-115.3160.8169.600000110.9I52 F53G46-I52 WeakPolarHBondContact O-CA 3.3Å; G46-F53 VanDerWaalsContact C-CE1 3.49Å; G46-F53 PolarHBondContact N-O 3Å; G46-F53 WeakPolarHBondContact O-CD1 3.38Å; G46-F53 PolarHBondContact O-N 3.14Å
47E94.5Very high94.2Very high100 Ų10064 Ų6447%0.46733%0.33SS..EExtended strand (participates in β ladder)trans-127.8134.5173.6-179.3-174.4148.900107.8I17 E51 I52I17-E47 HydrophobicContact CB-CB 4.36Å; I17-E47 HydrophobicContact CD1-CB 4.18Å; I17-E47 WeakPolarHBondContact CG2-OE2 3.49Å; E47-E51 VanDerWaalsContact CA-O 3.31Å; E47-E51 WeakPolarHBondContact CA-O 3.3Å; E47-I52 HydrophobicContact CB-CD1 3.69Å; E47-I52 HydrophobicContact CG-CD1 3.77Å
48K94Very high94.4Very high139 Ų13965.6 Ų65.660%0.60434%0.339SS*.EExtended strand (participates in β ladder)trans-150.3130173.2-178178.8177.8-175.40108.7G50 E51 F53K48-G50 PolarHBondContact O-N 3.33Å; K48-G50 VanDerWaalsContact O-N 3.14Å; K48-E51 PolarHBondContact N-O 2.9Å; K48-E51 PolarHBondContact O-N 2.9Å; K48-F53 HydrophobicContact CB-CD1 4.4Å; K48-F53 HydrophobicContact CB-CE1 3.67Å; K48-F53 HydrophobicContact CB-CZ 4.48Å
49D91.2Very high94.3Very high148 Ų14871 Ų7179%0.79137%0.37SS*.THydrogen-bonded Turntrans52.635.6177.4-52.4-37.9000113.1E51D49-E51 PolarHBondContact O-N 3.14Å
50G86.9Confident94.4Very high42 Ų4270.5 Ų70.543%0.43337%0.365SS..THydrogen-bonded Turntrans77.6-3.8-176.800000115.3G15 K48G15-G50 VanDerWaalsContact CA-O 3.26Å; G15-G50 WeakPolarHBondContact CA-O 3.28Å; K48-G50 PolarHBondContact O-N 3.33Å; K48-G50 VanDerWaalsContact O-N 3.14Å
51E93.6Very high94.5Very high117 Ų11769.3 Ų69.355%0.54736%0.362SS..EExtended strand (participates in β ladder)trans-92.4137.9174.6-63.2-163.6169.700111.9E47 K48 D49E47-E51 VanDerWaalsContact CA-O 3.31Å; E47-E51 WeakPolarHBondContact CA-O 3.3Å; K48-E51 PolarHBondContact N-O 2.9Å; K48-E51 PolarHBondContact O-N 2.9Å; D49-E51 PolarHBondContact O-N 3.14Å
52I96.1Very high94.6Very high5 Ų574.8 Ų74.83%0.02638%0.384CS..EExtended strand (participates in β ladder)trans-98.1132.1174.5-56.3-60000110L6 G15 I17 V20 G46 E47L6-I52 HydrophobicContact CD1-CG2 4.46Å; L6-I52 HydrophobicContact CD2-CG2 4.28Å; G15-I52 WeakPolarHBondContact O-CD1 3.25Å; I17-I52 HydrophobicContact CB-CD1 3.65Å; I17-I52 HydrophobicContact CD1-CD1 4.32Å; I17-I52 HydrophobicContact CG1-CD1 3.98Å; V20-I52 HydrophobicContact CG1-CG2 4.27Å; V20-I52 HydrophobicContact CG2-CG1 4.22Å; G46-I52 WeakPolarHBondContact O-CA 3.3Å; E47-I52 HydrophobicContact CB-CD1 3.69Å; E47-I52 HydrophobicContact CG-CD1 3.77Å
53F94.7Very high94.6Very high85 Ų8578.7 Ų78.737%0.37341%0.411SS..EExtended strand (participates in β ladder)trans-142.5163.4-17666-86000112.5L45 G46 K48 K55L45-F53 WeakPolarHBondContact CA-O 3.22Å; G46-F53 VanDerWaalsContact C-CE1 3.49Å; G46-F53 PolarHBondContact N-O 3Å; G46-F53 WeakPolarHBondContact O-CD1 3.38Å; G46-F53 PolarHBondContact O-N 3.14Å; K48-F53 HydrophobicContact CB-CD1 4.4Å; K48-F53 HydrophobicContact CB-CE1 3.67Å; K48-F53 HydrophobicContact CB-CZ 4.48Å; F53-K55 HydrophobicContact CE2-CG 4.25Å
54W95.4Very high94.7Very high74 Ų7477.8 Ų77.828%0.2841%0.407SS..EExtended strand (participates in β ladder)trans-80.9122.3170-70.6110.4000110.4L6 W28 N44 L45 A56 L58L6-W54 HydrophobicContact CD1-CD2 3.91Å; L6-W54 HydrophobicContact CD1-CG 3.69Å; L6-W54 VanDerWaalsContact CD1-NE1 3.32Å; W28-W54 AromaticContact CH2-CH2 3.51Å; W28-W54 HydrophobicContact CH2-CH2 3.51Å; W28-W54 HydrophobicContact CH2-CZ2 4.12Å; W28-W54 HydrophobicContact CH2-CZ3 4.5Å; W28-W54 HydrophobicContact CZ2-CH2 4.13Å; W28-W54 HydrophobicContact CZ2-CZ2 4.3Å; W28-W54 HydrophobicContact CZ3-CH2 4.46Å; N44-W54 HydrophobicContact CB-CE3 4.1Å; N44-W54 HydrophobicContact CB-CZ3 4.19Å; L45-W54 HydrophobicContact CD2-CD2 3.92Å; L45-W54 HydrophobicContact CD2-CE3 3.67Å; L45-W54 HydrophobicContact CD2-CH2 4.19Å; L45-W54 HydrophobicContact CD2-CZ2 4.34Å; L45-W54 HydrophobicContact CD2-CZ3 3.82Å; W54-A56 VanDerWaalsContact C-N 3.32Å; W54-L58 HydrophobicContact CB-CD1 4.34Å; W54-L58 HydrophobicContact CB-CG 4.32Å; W54-L58 HydrophobicContact CD2-CD1 3.64Å; W54-L58 HydrophobicContact CD2-CG 4.36Å; W54-L58 HydrophobicContact CE3-CD1 4.3Å; W54-L58 HydrophobicContact CG-CD1 3.64Å; W54-L58 HydrophobicContact CG-CG 4.13Å; W54-L58 HydrophobicContact CZ2-CD1 4.19Å
55K96.3Very high94.7Very high127 Ų12782.3 Ų82.355%0.55242%0.421SS*.SBendtrans-66.1-36.8171.1-65.2175.1-179.1164.10111.7T43 N44 L45 F53T43-K55 PolarHBondContact O-NZ 3.06Å; T43-K55 VanDerWaalsContact O-NZ 3.1Å; N44-K55 WeakPolarHBondContact O-CB 3.31Å; N44-K55 WeakPolarHBondContact O-CG 3.42Å; N44-K55 PolarHBondContact O-N 2.78Å; L45-K55 WeakPolarHBondContact O-CE 3.38Å; L45-K55 PolarHBondContact O-NZ 3.24Å; F53-K55 HydrophobicContact CE2-CG 4.25Å
56A93.9Very high94.7Very high25 Ų2588.3 Ų88.321%0.20745%0.453CS..SBendtrans-78.1138.8176.600000110.7W54 L58 I61W54-A56 VanDerWaalsContact C-N 3.32Å; A56-L58 VanDerWaalsContact C-N 3.31Å; A56-L58 HydrophobicContact CB-CD2 4.14Å; A56-L58 PolarHBondContact O-N 2.64Å; A56-I61 HydrophobicContact CB-CD1 4.33Å
57N94.6Very high94.6Very high104 Ų10494.7 Ų94.756%0.55648%0.481SS*.  trans-77.182.1174.5-172.6-14.2000110.6N59 A60 I61N57-N59 PolarHBondContact O-N 3.05Å; N57-N59 PolarHBondContact OD1-N 2.83Å; N57-A60 HydrophobicContact CB-CB 4.05Å; N57-A60 VanDerWaalsContact CG-CB 3.45Å; N57-A60 PolarHBondContact O-N 2.86Å; N57-A60 VanDerWaalsContact O-N 3.16Å; N57-A60 PolarHBondContact OD1-N 3.29Å; N57-I61 WeakPolarHBondContact O-CG1 3.42Å; N57-I61 PolarHBondContact O-N 3.25Å
58L92.7Very high94.7Very high72 Ų7294.8 Ų94.838%0.37748%0.484SS..Hα-helixtrans-61.6-30.8-177.3-60.3-170.9000113W54 A56 I61 K62W54-L58 HydrophobicContact CB-CD1 4.34Å; W54-L58 HydrophobicContact CB-CG 4.32Å; W54-L58 HydrophobicContact CD2-CD1 3.64Å; W54-L58 HydrophobicContact CD2-CG 4.36Å; W54-L58 HydrophobicContact CE3-CD1 4.3Å; W54-L58 HydrophobicContact CG-CD1 3.64Å; W54-L58 HydrophobicContact CG-CG 4.13Å; W54-L58 HydrophobicContact CZ2-CD1 4.19Å; A56-L58 VanDerWaalsContact C-N 3.31Å; A56-L58 HydrophobicContact CB-CD2 4.14Å; A56-L58 PolarHBondContact O-N 2.64Å; L58-I61 HydrophobicContact CD2-CD1 4.28Å; L58-I61 PolarHBondContact O-N 3.39Å; L58-K62 WeakPolarHBondContact O-CB 3.41Å; L58-K62 PolarHBondContact O-N 2.85Å
59N93.7Very high94.7Very high132 Ų13292 Ų9271%0.70648%0.479SS*.Hα-helixtrans-65-45.1176-72.8-21.2000110.9N57 K62 S63N57-N59 PolarHBondContact O-N 3.05Å; N57-N59 PolarHBondContact OD1-N 2.83Å; N59-K62 PolarHBondContact O-N 2.97Å; N59-S63 PolarHBondContact O-N 2.69Å; N59-S63 PolarHBondContact O-OG 3.05Å
60A96.5Very high94.8Very high35 Ų3587 Ų8729%0.28946%0.462SS..Hα-helixtrans-64.5-44.4176.100000111.9N57 K62 S63 C64N57-A60 HydrophobicContact CB-CB 4.05Å; N57-A60 VanDerWaalsContact CG-CB 3.45Å; N57-A60 PolarHBondContact O-N 2.86Å; N57-A60 VanDerWaalsContact O-N 3.16Å; N57-A60 PolarHBondContact OD1-N 3.29Å; A60-K62 VanDerWaalsContact C-N 3.29Å; A60-K62 PolarHBondContact O-N 3.39Å; A60-S63 WeakPolarHBondContact CA-OG 3.46Å; A60-S63 PolarHBondContact O-N 3.19Å; A60-S63 PolarHBondContact O-OG 3.41Å; A60-C64 VanDerWaalsContact O-CB 3.23Å; A60-C64 WeakPolarHBondContact O-CB 3.43Å; A60-C64 PolarHBondContact O-N 3.42Å; A60-C64 PolarHBondContact O-SG 3.26Å; A60-C64 VanDerWaalsContact O-SG 3.41Å
61I96Very high95.1Very high68 Ų6890.7 Ų90.735%0.34947%0.467SS..Hα-helixtrans-58.3-44.2176.5-67167.4000110.4A56 N57 L58 C64 W65 I68A56-I61 HydrophobicContact CB-CD1 4.33Å; N57-I61 WeakPolarHBondContact O-CG1 3.42Å; N57-I61 PolarHBondContact O-N 3.25Å; L58-I61 HydrophobicContact CD2-CD1 4.28Å; L58-I61 PolarHBondContact O-N 3.39Å; I61-C64 CarbonylContact O-C 3.48Å; I61-C64 PolarHBondContact O-N 3.02Å; I61-W65 HydrophobicContact CG2-CE3 4.18Å; I61-W65 HydrophobicContact CG2-CZ3 4.35Å; I61-W65 WeakPolarHBondContact O-CA 3.47Å; I61-W65 PolarHBondContact O-N 3.46Å; I61-I68 HydrophobicContact CG2-CD1 4.21Å
62K94.8Very high95Very high171 Ų17188.2 Ų88.274%0.74346%0.461SS*.Hα-helixtrans-65.5-44.6177.4-174.3-179.9178.7-176.50112.2L58 N59 A60 C64L58-K62 WeakPolarHBondContact O-CB 3.41Å; L58-K62 PolarHBondContact O-N 2.85Å; N59-K62 PolarHBondContact O-N 2.97Å; A60-K62 VanDerWaalsContact C-N 3.29Å; A60-K62 PolarHBondContact O-N 3.39Å; K62-C64 VanDerWaalsContact C-N 3.28Å; K62-C64 PolarHBondContact O-N 2.96Å
63S96.9Very high94.8Very high85 Ų8593.3 Ų93.359%0.59449%0.492SS*.Hα-helixtrans-68.9-28179.459.80000113N59 A60N59-S63 PolarHBondContact O-N 2.69Å; N59-S63 PolarHBondContact O-OG 3.05Å; A60-S63 WeakPolarHBondContact CA-OG 3.46Å; A60-S63 PolarHBondContact O-N 3.19Å; A60-S63 PolarHBondContact O-OG 3.41Å
64C97Very high94.9Very high52 Ų5294.9 Ų94.935%0.35151%0.505SS..THydrogen-bonded Turntrans-104.314.7-177.7-60.40000113.1A60 I61 K62 N66 Q67 I68A60-C64 VanDerWaalsContact O-CB 3.23Å; A60-C64 WeakPolarHBondContact O-CB 3.43Å; A60-C64 PolarHBondContact O-N 3.42Å; A60-C64 PolarHBondContact O-SG 3.26Å; A60-C64 VanDerWaalsContact O-SG 3.41Å; I61-C64 CarbonylContact O-C 3.48Å; I61-C64 PolarHBondContact O-N 3.02Å; K62-C64 VanDerWaalsContact C-N 3.28Å; K62-C64 PolarHBondContact O-N 2.96Å; C64-N66 VanDerWaalsContact C-N 3.32Å; C64-N66 PolarHBondContact O-N 3.18Å; C64-Q67 PolarHBondContact O-N 3.37Å; C64-Q67 PolarHBondContact O-OE1 3.28Å; C64-I68 HydrophobicContact CB-CD1 4.27Å; C64-I68 WeakPolarHBondContact O-CG1 3.26Å; C64-I68 PolarHBondContact O-N 3.45Å
65W97Very high94.8Very high143 Ų14394.4 Ų94.454%0.54251%0.507SS..Hα-helixtrans-55.3-46.6-172.3-175.8-101.7000112.4I61 Q67 I68 T69I61-W65 HydrophobicContact CG2-CE3 4.18Å; I61-W65 HydrophobicContact CG2-CZ3 4.35Å; I61-W65 WeakPolarHBondContact O-CA 3.47Å; I61-W65 PolarHBondContact O-N 3.46Å; W65-Q67 VanDerWaalsContact C-N 3.28Å; W65-Q67 PolarHBondContact O-N 2.85Å; W65-I68 PolarHBondContact O-N 3.08Å; W65-I68 VanDerWaalsContact O-N 3.14Å; W65-T69 HydrophobicContact CD2-CG2 4Å; W65-T69 HydrophobicContact CE3-CG2 4.46Å; W65-T69 HydrophobicContact CG-CG2 4.49Å; W65-T69 HydrophobicContact CH2-CG2 4.19Å; W65-T69 HydrophobicContact CZ2-CG2 3.67Å; W65-T69 PolarHBondContact O-N 2.75Å; W65-T69 PolarHBondContact O-OG1 3.46Å; W65-T69 VanDerWaalsContact O-OG1 3.05Å
66N96Very high94.7Very high126 Ų12692.8 Ų92.867%0.67451%0.505SS*.Hα-helixtrans-63.8-33.2-179.6-69.3-17000112.8C64 G70C64-N66 VanDerWaalsContact C-N 3.32Å; C64-N66 PolarHBondContact O-N 3.18Å; N66-G70 VanDerWaalsContact O-CA 3.31Å; N66-G70 WeakPolarHBondContact O-CA 3.35Å; N66-G70 PolarHBondContact O-N 3.08Å
67Q95.1Very high94.7Very high138 Ų13894.6 Ų94.665%0.64553%0.526SS*.Hα-helixtrans-73.6-35.5176.3-64.684.5-16.300111.4C64 W65C64-Q67 PolarHBondContact O-N 3.37Å; C64-Q67 PolarHBondContact O-OE1 3.28Å; W65-Q67 VanDerWaalsContact C-N 3.28Å; W65-Q67 PolarHBondContact O-N 2.85Å
68I95.5Very high94.8Very high102 Ų10297.4 Ų97.452%0.52353%0.528SS..Hα-helixtrans-71.3-42.8178.1-66.9165.2000111I61 C64 W65I61-I68 HydrophobicContact CG2-CD1 4.21Å; C64-I68 HydrophobicContact CB-CD1 4.27Å; C64-I68 WeakPolarHBondContact O-CG1 3.26Å; C64-I68 PolarHBondContact O-N 3.45Å; W65-I68 PolarHBondContact O-N 3.08Å; W65-I68 VanDerWaalsContact O-N 3.14Å
69T94.6Very high95.1Very high81 Ų8198.2 Ų98.250%0.49754%0.536SS..Hα-helixtrans-93.8-12.5-175.563.30000114.1W65W65-T69 HydrophobicContact CD2-CG2 4Å; W65-T69 HydrophobicContact CE3-CG2 4.46Å; W65-T69 HydrophobicContact CG-CG2 4.49Å; W65-T69 HydrophobicContact CH2-CG2 4.19Å; W65-T69 HydrophobicContact CZ2-CG2 3.67Å; W65-T69 PolarHBondContact O-N 2.75Å; W65-T69 PolarHBondContact O-OG1 3.46Å; W65-T69 VanDerWaalsContact O-OG1 3.05Å
70G94Very high95.3Very high43 Ų4397 Ų9744%0.44353%0.525SS..SBendtrans-75.6158.3179.600000112.6N66N66-G70 VanDerWaalsContact O-CA 3.31Å; N66-G70 WeakPolarHBondContact O-CA 3.35Å; N66-G70 PolarHBondContact O-N 3.08Å
71F92.7Very high95.3Very high120 Ų12099.7 Ų99.753%0.52653%0.534SS..PPolyproline II helixtrans-103.1131.8169.4-169.9-91.9000109.7T73 L75 Y106F71-T73 PolarHBondContact O-N 2.95Å; F71-L75 HydrophobicContact CE1-CB 3.99Å; F71-L75 HydrophobicContact CE1-CD1 4.28Å; F71-L75 HydrophobicContact CZ-CB 4.37Å; F71-L75 HydrophobicContact CZ-CD1 4.07Å; F71-Y106 HydrophobicContact CE1-CE1 4.01Å; F71-Y106 AromaticContact CE1-CE2 3.98Å; F71-Y106 HydrophobicContact CE1-CE2 3.98Å; F71-Y106 AromaticContact CE1-CZ 3.48Å; F71-Y106 VanDerWaalsContact CE1-CZ 3.48Å; F71-Y106 VanDerWaalsContact CE1-OH 3.25Å; F71-Y106 WeakPolarHBondContact CE1-OH 2.88Å; F71-Y106 HydrophobicContact CZ-CD1 4.48Å; F71-Y106 HydrophobicContact CZ-CD2 4.26Å; F71-Y106 HydrophobicContact CZ-CE1 4.01Å; F71-Y106 AromaticContact CZ-CE2 3.75Å; F71-Y106 HydrophobicContact CZ-CE2 3.75Å; F71-Y106 AromaticContact CZ-CZ 3.62Å
72P92.5Very high95.3Very high65 Ų65102 Ų10242%0.42254%0.543SS..PPolyproline II helixtrans-62.3124-178.4-20.231000112.2D74 L75P72-D74 VanDerWaalsContact C-N 3.34Å; P72-D74 WeakPolarHBondContact CB-OD1 3.37Å; P72-D74 PolarHBondContact O-N 3.28Å; P72-L75 HydrophobicContact CB-CD1 3.99Å; P72-L75 HydrophobicContact CB-CG 4.05Å; P72-L75 HydrophobicContact CG-CD1 3.97Å; P72-L75 PolarHBondContact O-N 2.93Å
73T91.8Very high95.3Very high112 Ų11297.4 Ų97.469%0.68753%0.531SS*.G310 helixtrans-76.1-22-174.951.70000113.5F71 L75 N76F71-T73 PolarHBondContact O-N 2.95Å; T73-L75 PolarHBondContact O-N 3.04Å; T73-N76 VanDerWaalsContact O-CB 3.27Å; T73-N76 WeakPolarHBondContact O-CB 3.36Å; T73-N76 VanDerWaalsContact O-CG 3.3Å; T73-N76 PolarHBondContact O-N 3.49Å; T73-N76 VanDerWaalsContact O-N 3.17Å; T73-N76 PolarHBondContact O-ND2 3.03Å
74D94.9Very high95.3Very high118 Ų11894.6 Ų94.663%0.63151%0.511SS*.G310 helixtrans-70.7-14.3174.265.2-40.3000113.1P72 N76P72-D74 VanDerWaalsContact C-N 3.34Å; P72-D74 WeakPolarHBondContact CB-OD1 3.37Å; P72-D74 PolarHBondContact O-N 3.28Å; D74-N76 VanDerWaalsContact C-N 3.29Å
75L94.3Very high95.3Very high63 Ų6393.6 Ų93.633%0.3350%0.501SS..G310 helixtrans-78.6-11.4170.2-64.7178.6000113.1F71 P72 T73 G77 R78 Y106F71-L75 HydrophobicContact CE1-CB 3.99Å; F71-L75 HydrophobicContact CE1-CD1 4.28Å; F71-L75 HydrophobicContact CZ-CB 4.37Å; F71-L75 HydrophobicContact CZ-CD1 4.07Å; P72-L75 HydrophobicContact CB-CD1 3.99Å; P72-L75 HydrophobicContact CB-CG 4.05Å; P72-L75 HydrophobicContact CG-CD1 3.97Å; P72-L75 PolarHBondContact O-N 2.93Å; T73-L75 PolarHBondContact O-N 3.04Å; L75-G77 PolarHBondContact O-N 3.43Å; L75-R78 HydrophobicContact CD2-CG 4.49Å; L75-R78 WeakPolarHBondContact O-CB 3.23Å; L75-R78 VanDerWaalsContact O-CG 3.25Å; L75-R78 WeakPolarHBondContact O-CG 3.35Å; L75-R78 PolarHBondContact O-N 3.27Å; L75-Y106 HydrophobicContact CB-CE1 4.4Å; L75-Y106 WeakPolarHBondContact O-CE1 3.39Å
76N93.8Very high95.3Very high94 Ų9489.3 Ų89.350%0.50349%0.487SS..THydrogen-bonded Turntrans-54.9127.4179.7-79.3-40000111.7T73 D74 R78 Y106T73-N76 VanDerWaalsContact O-CB 3.27Å; T73-N76 WeakPolarHBondContact O-CB 3.36Å; T73-N76 VanDerWaalsContact O-CG 3.3Å; T73-N76 PolarHBondContact O-N 3.49Å; T73-N76 VanDerWaalsContact O-N 3.17Å; T73-N76 PolarHBondContact O-ND2 3.03Å; D74-N76 VanDerWaalsContact C-N 3.29Å; N76-R78 PolarHBondContact O-N 2.93Å; N76-Y106 PolarHBondContact OD1-OH 2.99Å
77G93.8Very high95.3Very high63 Ų6385.3 Ų85.365%0.64947%0.467SS*.THydrogen-bonded Turntrans80.7-3.8-178.500000114.6L75L75-G77 PolarHBondContact O-N 3.43Å
78R97.2Very high95.2Very high163 Ų16379.3 Ų79.362%0.61544%0.441SS*.  trans-76.2141.5171-56.1-66.1-75.2-87.3-0.6109.8L75 N76 Y106L75-R78 HydrophobicContact CD2-CG 4.49Å; L75-R78 WeakPolarHBondContact O-CB 3.23Å; L75-R78 VanDerWaalsContact O-CG 3.25Å; L75-R78 WeakPolarHBondContact O-CG 3.35Å; L75-R78 PolarHBondContact O-N 3.27Å; N76-R78 PolarHBondContact O-N 2.93Å; R78-Y106 VanDerWaalsContact O-CD1 3.28Å; R78-Y106 WeakPolarHBondContact O-CD1 3.27Å
79V98.1Very high95.1Very high88 Ų8875 Ų7553%0.53342%0.42SS..  trans-132.8130.4180-178.60000108.6N81 P108V79-N81 HydrophobicContact CG1-CB 4.38Å; V79-P108 HydrophobicContact CG1-CG 3.69Å
80F98Very high94.9Very high107 Ų10773 Ų7347%0.46941%0.41SS..  trans-101.495.2168.9-175.5-103000108.6Q82 V84 Y106 F107F80-Q82 HydrophobicContact CD1-CB 4.11Å; F80-Q82 HydrophobicContact CE1-CB 3.53Å; F80-Q82 HydrophobicContact CE1-CG 4.27Å; F80-Q82 HydrophobicContact CE2-CB 4.43Å; F80-Q82 HydrophobicContact CE2-CG 4.3Å; F80-Q82 HydrophobicContact CZ-CB 3.7Å; F80-Q82 HydrophobicContact CZ-CG 3.98Å; F80-Q82 PolarHBondContact O-N 3.36Å; F80-Q82 VanDerWaalsContact O-N 3.11Å; F80-V84 HydrophobicContact CD1-CG2 3.53Å; F80-V84 HydrophobicContact CE1-CG2 3.58Å; F80-Y106 PolarHBondContact N-O 3.16Å; F80-F107 HydrophobicContact CB-CD1 3.79Å; F80-F107 HydrophobicContact CB-CE1 3.84Å; F80-F107 AromaticContact CD1-CD1 3.96Å; F80-F107 HydrophobicContact CD1-CD1 3.96Å; F80-F107 HydrophobicContact CD1-CE1 4.2Å; F80-F107 HydrophobicContact CG-CD1 4.3Å; F80-F107 HydrophobicContact CG-CE1 4.31Å
81N97.3Very high94.5Very high92 Ų9276.4 Ų76.449%0.49242%0.418SS..  trans-88.749.5-173.8-165.245.3000112.4V79 P108 Q109V79-N81 HydrophobicContact CG1-CB 4.38Å; N81-P108 WeakPolarHBondContact OD1-CG 3.48Å; N81-Q109 PolarHBondContact O-OE1 2.89Å
82Q96Very high93.8Very high115 Ų11571.6 Ų71.654%0.53740%0.401SS..SBendtrans-128161.7172.6-62.1-65.9-66.400109.1F80 V84 Q109F80-Q82 HydrophobicContact CD1-CB 4.11Å; F80-Q82 HydrophobicContact CE1-CB 3.53Å; F80-Q82 HydrophobicContact CE1-CG 4.27Å; F80-Q82 HydrophobicContact CE2-CB 4.43Å; F80-Q82 HydrophobicContact CE2-CG 4.3Å; F80-Q82 HydrophobicContact CZ-CB 3.7Å; F80-Q82 HydrophobicContact CZ-CG 3.98Å; F80-Q82 PolarHBondContact O-N 3.36Å; F80-Q82 VanDerWaalsContact O-N 3.11Å; Q82-V84 PolarHBondContact O-N 3.34Å; Q82-Q109 VanDerWaalsContact C-OE1 3.3Å; Q82-Q109 VanDerWaalsContact CA-OE1 3.25Å
83P95.5Very high93.3Very high75 Ų7577.7 Ų77.749%0.48742%0.422SS..  trans-54.1135.4173.8-26.235.5000111.7F137P83-F137 HydrophobicContact CB-CE2 3.89Å; P83-F137 HydrophobicContact CB-CZ 3.95Å
84V97Very high92.9Very high27 Ų2781.6 Ų81.616%0.16443%0.425CS..EExtended strand (participates in β ladder)trans-137.4134.4173.8177.60000108.8F80 Q82 F86 F107 S110 K111F80-V84 HydrophobicContact CD1-CG2 3.53Å; F80-V84 HydrophobicContact CE1-CG2 3.58Å; Q82-V84 PolarHBondContact O-N 3.34Å; V84-F86 HydrophobicContact CB-CE2 4.18Å; V84-F86 HydrophobicContact CG1-CD2 3.84Å; V84-F86 HydrophobicContact CG1-CE2 3.38Å; V84-F86 HydrophobicContact CG1-CZ 3.99Å; V84-F107 HydrophobicContact CB-CD1 4.44Å; V84-F107 HydrophobicContact CG2-CB 4.48Å; V84-F107 HydrophobicContact CG2-CD1 3.75Å; V84-F107 HydrophobicContact CG2-CE1 4.42Å; V84-F107 HydrophobicContact CG2-CG 4.41Å; V84-S110 CarbonylContact O-C 3.58Å; V84-S110 WeakPolarHBondContact O-CA 3.3Å; V84-K111 PolarHBondContact O-N 2.96Å
85L96.5Very high92.7Very high30 Ų3077.1 Ų77.116%0.15740%0.401CS..EExtended strand (participates in β ladder)trans-104.5120.8173.4-179.362000110V87 K111 V113 L133 F137 F143L85-V87 HydrophobicContact CD1-CG2 4.49Å; L85-V87 HydrophobicContact CD2-CG2 3.92Å; L85-V87 HydrophobicContact CG-CG2 3.84Å; L85-K111 WeakPolarHBondContact CA-O 3.32Å; L85-K111 HydrophobicContact CD1-CB 4.19Å; L85-V113 HydrophobicContact CD1-CG1 4.09Å; L85-V113 HydrophobicContact CD1-CG2 3.99Å; L85-L133 HydrophobicContact CD2-CB 4.28Å; L85-F137 HydrophobicContact CB-CD1 4.03Å; L85-F137 HydrophobicContact CB-CD2 3.91Å; L85-F137 HydrophobicContact CB-CE1 4.14Å; L85-F137 HydrophobicContact CB-CE2 4.02Å; L85-F137 HydrophobicContact CB-CG 3.91Å; L85-F137 HydrophobicContact CB-CZ 4.14Å; L85-F137 HydrophobicContact CD2-CB 3.89Å; L85-F137 HydrophobicContact CD2-CG 4.09Å; L85-F143 HydrophobicContact CD1-CE1 3.9Å; L85-F143 HydrophobicContact CD1-CZ 4.16Å; L85-F143 HydrophobicContact CD2-CE1 4.27Å; L85-F143 HydrophobicContact CD2-CZ 3.99Å
86F96.4Very high92.3Very high54 Ų5475.2 Ų75.224%0.23740%0.397CS..EExtended strand (participates in β ladder)trans-100.4122.5166.8-68.7-98.6000109V84 L95 V103 F107 K111 I112 V113V84-F86 HydrophobicContact CB-CE2 4.18Å; V84-F86 HydrophobicContact CG1-CD2 3.84Å; V84-F86 HydrophobicContact CG1-CE2 3.38Å; V84-F86 HydrophobicContact CG1-CZ 3.99Å; F86-L95 HydrophobicContact CB-CD2 3.71Å; F86-L95 HydrophobicContact CD1-CD2 4.14Å; F86-L95 HydrophobicContact CG-CD2 4.21Å; F86-V103 HydrophobicContact CD2-CG1 4Å; F86-V103 HydrophobicContact CE1-CG1 4.22Å; F86-V103 HydrophobicContact CE2-CG1 3.49Å; F86-V103 VanDerWaalsContact CE2-CG1 3.49Å; F86-V103 HydrophobicContact CZ-CG1 3.63Å; F86-F107 HydrophobicContact CE2-CB 4.19Å; F86-F107 HydrophobicContact CE2-CD2 4.02Å; F86-F107 HydrophobicContact CE2-CG 4.14Å; F86-F107 AromaticContact CZ-CD2 3.57Å; F86-F107 HydrophobicContact CZ-CD2 3.57Å; F86-F107 AromaticContact CZ-CE2 3.86Å; F86-F107 HydrophobicContact CZ-CE2 3.86Å; F86-F107 HydrophobicContact CZ-CG 4.1Å; F86-K111 PolarHBondContact N-O 3.1Å; F86-I112 HydrophobicContact CB-CB 4.36Å; F86-I112 HydrophobicContact CB-CG1 4.03Å; F86-I112 HydrophobicContact CB-CG2 4.19Å; F86-I112 HydrophobicContact CD2-CG1 4.02Å; F86-I112 HydrophobicContact CG-CG1 4.27Å; F86-V113 WeakPolarHBondContact O-CG2 3.5Å; F86-V113 PolarHBondContact O-N 2.98Å
87V95.2Very high92.1Very high42 Ų4276.3 Ų76.326%0.25540%0.399SS..EExtended strand (participates in β ladder)trans-109.8112.8176.9-174.10000108.5L85 V113 I115 V122 V130 L133L85-V87 HydrophobicContact CD1-CG2 4.49Å; L85-V87 HydrophobicContact CD2-CG2 3.92Å; L85-V87 HydrophobicContact CG-CG2 3.84Å; V87-V113 HydrophobicContact CB-CG2 4.38Å; V87-V113 HydrophobicContact CG1-CG2 4.35Å; V87-V113 HydrophobicContact CG2-CG2 4.07Å; V87-I115 HydrophobicContact CG1-CD1 3.61Å; V87-I115 HydrophobicContact CG1-CG1 3.92Å; V87-V122 HydrophobicContact CG1-CG2 4.14Å; V87-V130 HydrophobicContact CG1-CG2 4.46Å; V87-L133 HydrophobicContact CG1-CD1 4.18Å; V87-L133 HydrophobicContact CG2-CD1 4.36Å
88A94.2Very high92.1Very high12 Ų1278.1 Ų78.110%0.09940%0.402CS..EExtended strand (participates in β ladder)trans-109.7159.7-179.600000111.5L95 V113 Q114 I115A88-L95 HydrophobicContact CB-CB 4.11Å; A88-L95 HydrophobicContact CB-CD2 4.2Å; A88-V113 PolarHBondContact N-O 2.89Å; A88-Q114 HydrophobicContact CB-CG 3.94Å; A88-Q114 VanDerWaalsContact O-CA 3.3Å; A88-Q114 WeakPolarHBondContact O-CA 3.43Å; A88-I115 PolarHBondContact O-N 3.26Å
89A93Very high91.9Very high10 Ų1073.1 Ų73.18%0.08339%0.387CS..EExtended strand (participates in β ladder)trans-85.5143.2173.100000111D91 G92 T118 G119 V122A89-D91 VanDerWaalsContact C-N 3.26Å; A89-D91 PolarHBondContact O-N 2.62Å; A89-G92 PolarHBondContact O-N 3.4Å; A89-T118 VanDerWaalsContact CA-OG1 3.26Å; A89-T118 WeakPolarHBondContact CA-OG1 3.41Å; A89-G119 WeakPolarHBondContact CB-O 3.44Å; A89-V122 HydrophobicContact CB-CG1 3.63Å
90S90Very high91.8Very high40 Ų4069.2 Ų69.228%0.2836%0.363SS..THydrogen-bonded Turntrans-61.2-36.8174.660.70000112.4G92 I115 N117 T118S90-G92 VanDerWaalsContact C-N 3.33Å; S90-I115 WeakPolarHBondContact CB-O 3.33Å; S90-I115 PolarHBondContact N-O 3.03Å; S90-I115 PolarHBondContact OG-O 2.95Å; S90-N117 PolarHBondContact OG-N 2.88Å; S90-N117 VanDerWaalsContact OG-N 3.08Å; S90-T118 PolarHBondContact N-OG1 3.2Å; S90-T118 PolarHBondContact OG-N 2.84Å; S90-T118 PolarHBondContact OG-O 2.7Å
91D86.1Confident91.6Very high115 Ų11568.5 Ų68.562%0.61537%0.37SS*.THydrogen-bonded Turntrans-95.22.9-176.4-55.5-0.4000111.6A89 T118A89-D91 VanDerWaalsContact C-N 3.26Å; A89-D91 PolarHBondContact O-N 2.62Å; D91-T118 WeakPolarHBondContact CB-O 3.31Å; D91-T118 PolarHBondContact N-O 3.31Å; D91-T118 VanDerWaalsContact N-O 3.08Å
92G78.4Confident91.5Very high18 Ų1867 Ų6719%0.18637%0.369CS..  trans-82148.2-176.800000113.3A89 S90A89-G92 PolarHBondContact O-N 3.4Å; S90-G92 VanDerWaalsContact C-N 3.33Å
93K81Confident91.5Very high194 Ų19462.4 Ų62.484%0.84335%0.349SS*.SBendtrans-104.48.8176.6-61.8-176179.1-178.40114.1
94Y84.6Confident91.5Very high193 Ų19363.8 Ų63.876%0.75735%0.345SS*.SBendtrans-91-19.5-171.2-69.6-69.7000114.2H120Y94-H120 AromaticContact CE2-ND1 3.66Å
95L89.6Confident91.5Very high24 Ų2468.1 Ų68.113%0.12636%0.362CS..SBendtrans-148.699.7179.3-17460.2000109.6F86 A88 D99 V103 I112F86-L95 HydrophobicContact CB-CD2 3.71Å; F86-L95 HydrophobicContact CD1-CD2 4.14Å; F86-L95 HydrophobicContact CG-CD2 4.21Å; A88-L95 HydrophobicContact CB-CB 4.11Å; A88-L95 HydrophobicContact CB-CD2 4.2Å; L95-D99 HydrophobicContact CD1-CB 3.95Å; L95-V103 HydrophobicContact CD1-CG2 3.79Å; L95-I112 HydrophobicContact CD2-CG2 3.48Å; L95-I112 VanDerWaalsContact CD2-CG2 3.48Å; L95-I112 HydrophobicContact CG-CG2 4Å
96G86.9Confident91.6Very high24 Ų2468.1 Ų68.125%0.24736%0.36CS..  trans-122.6-175.5177.500000113.1S98 D99G96-S98 PolarHBondContact O-N 2.98Å; G96-D99 PolarHBondContact N-OD2 3.39Å; G96-D99 WeakPolarHBondContact O-CB 3.44Å; G96-D99 PolarHBondContact O-N 3.29Å
97Q90Very high91.6Very high116 Ų11668.6 Ų68.654%0.54236%0.362SS..G310 helixtrans-57.2-35-176.1-166.165.928.900113.2D99 L100 K155Q97-D99 PolarHBondContact O-N 3.2Å; Q97-L100 WeakPolarHBondContact O-CG 3.32Å; Q97-L100 PolarHBondContact O-N 3.22Å; Q97-K155 PolarHBondContact NE2-O 2.93Å
98S93Very high91.7Very high102 Ų10269.5 Ų69.571%0.71337%0.368SS*.G310 helixtrans-66.5-23.317950.70000113.5G96G96-S98 PolarHBondContact O-N 2.98Å
99D93.4Very high91.8Very high58 Ų5873.3 Ų73.331%0.3138%0.384SS..G310 helixtrans-90.5-18.8-174.2-52.1-45.3000111.9L95 G96 Q97 P101 A102 V103L95-D99 HydrophobicContact CD1-CB 3.95Å; G96-D99 PolarHBondContact N-OD2 3.39Å; G96-D99 WeakPolarHBondContact O-CB 3.44Å; G96-D99 PolarHBondContact O-N 3.29Å; Q97-D99 PolarHBondContact O-N 3.2Å; D99-P101 VanDerWaalsContact C-CD 3.49Å; D99-A102 WeakPolarHBondContact O-CB 3.44Å; D99-A102 PolarHBondContact O-N 2.91Å; D99-V103 PolarHBondContact O-N 3.28Å
100L94.9Very high91.9Very high5 Ų573.5 Ų73.53%0.02639%0.385CS..Hα-helixtrans-56.6-42.2-175.3-49.8-168.6000113.3Q97 A102 V103 R104 I112 I154Q97-L100 WeakPolarHBondContact O-CG 3.32Å; Q97-L100 PolarHBondContact O-N 3.22Å; L100-A102 VanDerWaalsContact C-N 3.29Å; L100-A102 PolarHBondContact O-N 2.88Å; L100-V103 PolarHBondContact O-N 3.42Å; L100-R104 WeakPolarHBondContact O-CB 3.22Å; L100-R104 WeakPolarHBondContact O-CG 3.36Å; L100-R104 PolarHBondContact O-N 2.76Å; L100-I112 HydrophobicContact CD2-CD1 3.63Å; L100-I112 HydrophobicContact CD2-CG2 4.17Å; L100-I154 HydrophobicContact CD1-CB 4.42Å; L100-I154 HydrophobicContact CD1-CG2 3.89Å; L100-I154 HydrophobicContact CD2-CG2 4.43Å
101P95.4Very high92.2Very high93 Ų9374.6 Ų74.660%0.60439%0.385SS*.Hα-helixtrans-60.8-38.7176.4-2435.7000112.6D99 K105D99-P101 VanDerWaalsContact C-CD 3.49Å; P101-K105 PolarHBondContact O-N 3.34Å; P101-K105 VanDerWaalsContact O-N 3.07Å
102A94.3Very high92.6Very high59 Ų5969.2 Ų69.249%0.48836%0.356SS..Hα-helixtrans-69.1-43.117800000111.2D99 L100 K105 Y106D99-A102 WeakPolarHBondContact O-CB 3.44Å; D99-A102 PolarHBondContact O-N 2.91Å; L100-A102 VanDerWaalsContact C-N 3.29Å; L100-A102 PolarHBondContact O-N 2.88Å; A102-K105 WeakPolarHBondContact O-CB 3.17Å; A102-K105 PolarHBondContact O-N 2.85Å; A102-Y106 VanDerWaalsContact O-CD2 3.25Å; A102-Y106 WeakPolarHBondContact O-CD2 3.49Å
103V96.2Very high93.4Very high19 Ų1968.4 Ų68.412%0.11535%0.347CS..Hα-helixtrans-60.8-49.3174.91750000110.9F86 L95 D99 L100 K105 Y106 F107 I112F86-V103 HydrophobicContact CD2-CG1 4Å; F86-V103 HydrophobicContact CE1-CG1 4.22Å; F86-V103 HydrophobicContact CE2-CG1 3.49Å; F86-V103 VanDerWaalsContact CE2-CG1 3.49Å; F86-V103 HydrophobicContact CZ-CG1 3.63Å; L95-V103 HydrophobicContact CD1-CG2 3.79Å; D99-V103 PolarHBondContact O-N 3.28Å; L100-V103 PolarHBondContact O-N 3.42Å; V103-K105 VanDerWaalsContact C-N 3.26Å; V103-K105 PolarHBondContact O-N 3.17Å; V103-Y106 PolarHBondContact O-N 3.21Å; V103-F107 HydrophobicContact CG1-CD2 4.23Å; V103-F107 PolarHBondContact O-N 3.21Å; V103-I112 HydrophobicContact CB-CD1 4.14Å; V103-I112 HydrophobicContact CG1-CD1 3.75Å; V103-I112 HydrophobicContact CG1-CG1 4.47Å
104R96.2Very high94.1Very high105 Ų10561.5 Ų61.540%0.39632%0.318SS..Hα-helixtrans-67.1-23.7-177.5-70.4-172.2-175.5-177.812.9113.8L100 Y106 P108 K155L100-R104 WeakPolarHBondContact O-CB 3.22Å; L100-R104 WeakPolarHBondContact O-CG 3.36Å; L100-R104 PolarHBondContact O-N 2.76Å; R104-Y106 VanDerWaalsContact C-N 3.26Å; R104-Y106 PolarHBondContact O-N 3.34Å; R104-P108 WeakPolarHBondContact O-CA 3.4Å; R104-K155 PolarHBondContact NH2-OXT 3.14Å
105K96.4Very high94.6Very high118 Ų11852.3 Ų52.351%0.51328%0.282SS..Hα-helixtrans-59.1-38.6170.5-178-178175.2-173.90111.9P101 A102 V103P101-K105 PolarHBondContact O-N 3.34Å; P101-K105 VanDerWaalsContact O-N 3.07Å; A102-K105 WeakPolarHBondContact O-CB 3.17Å; A102-K105 PolarHBondContact O-N 2.85Å; V103-K105 VanDerWaalsContact C-N 3.26Å; V103-K105 PolarHBondContact O-N 3.17Å
106Y97.7Very high94.9Very high30 Ų3053 Ų5312%0.11829%0.291CS..Hα-helixtrans-94.2-34.3179.5-63.8-76.1000112.6F71 L75 N76 R78 F80 A102 V103 R104 P108F71-Y106 HydrophobicContact CE1-CE1 4.01Å; F71-Y106 AromaticContact CE1-CE2 3.98Å; F71-Y106 HydrophobicContact CE1-CE2 3.98Å; F71-Y106 AromaticContact CE1-CZ 3.48Å; F71-Y106 VanDerWaalsContact CE1-CZ 3.48Å; F71-Y106 VanDerWaalsContact CE1-OH 3.25Å; F71-Y106 WeakPolarHBondContact CE1-OH 2.88Å; F71-Y106 HydrophobicContact CZ-CD1 4.48Å; F71-Y106 HydrophobicContact CZ-CD2 4.26Å; F71-Y106 HydrophobicContact CZ-CE1 4.01Å; F71-Y106 AromaticContact CZ-CE2 3.75Å; F71-Y106 HydrophobicContact CZ-CE2 3.75Å; F71-Y106 AromaticContact CZ-CZ 3.62Å; L75-Y106 HydrophobicContact CB-CE1 4.4Å; L75-Y106 WeakPolarHBondContact O-CE1 3.39Å; N76-Y106 PolarHBondContact OD1-OH 2.99Å; R78-Y106 VanDerWaalsContact O-CD1 3.28Å; R78-Y106 WeakPolarHBondContact O-CD1 3.27Å; F80-Y106 PolarHBondContact N-O 3.16Å; A102-Y106 VanDerWaalsContact O-CD2 3.25Å; A102-Y106 WeakPolarHBondContact O-CD2 3.49Å; V103-Y106 PolarHBondContact O-N 3.21Å; R104-Y106 VanDerWaalsContact C-N 3.26Å; R104-Y106 PolarHBondContact O-N 3.34Å; Y106-P108 WeakPolarHBondContact O-CD 3.27Å
107F97.3Very high95.1Very high64 Ų6459.1 Ų59.128%0.28132%0.318SS..  trans-128.472.8-172.4-51.9-76.1000110.4F80 V84 F86 V103 Q109 S110F80-F107 HydrophobicContact CB-CD1 3.79Å; F80-F107 HydrophobicContact CB-CE1 3.84Å; F80-F107 AromaticContact CD1-CD1 3.96Å; F80-F107 HydrophobicContact CD1-CD1 3.96Å; F80-F107 HydrophobicContact CD1-CE1 4.2Å; F80-F107 HydrophobicContact CG-CD1 4.3Å; F80-F107 HydrophobicContact CG-CE1 4.31Å; V84-F107 HydrophobicContact CB-CD1 4.44Å; V84-F107 HydrophobicContact CG2-CB 4.48Å; V84-F107 HydrophobicContact CG2-CD1 3.75Å; V84-F107 HydrophobicContact CG2-CE1 4.42Å; V84-F107 HydrophobicContact CG2-CG 4.41Å; F86-F107 HydrophobicContact CE2-CB 4.19Å; F86-F107 HydrophobicContact CE2-CD2 4.02Å; F86-F107 HydrophobicContact CE2-CG 4.14Å; F86-F107 AromaticContact CZ-CD2 3.57Å; F86-F107 HydrophobicContact CZ-CD2 3.57Å; F86-F107 AromaticContact CZ-CE2 3.86Å; F86-F107 HydrophobicContact CZ-CE2 3.86Å; F86-F107 HydrophobicContact CZ-CG 4.1Å; V103-F107 HydrophobicContact CG1-CD2 4.23Å; V103-F107 PolarHBondContact O-N 3.21Å; F107-Q109 PolarHBondContact O-N 3Å; F107-S110 VanDerWaalsContact O-CB 3.26Å; F107-S110 WeakPolarHBondContact O-CB 3.28Å; F107-S110 PolarHBondContact O-N 3.26Å; F107-S110 PolarHBondContact O-OG 2.92Å
108P97.2Very high95.2Very high60 Ų6053.7 Ų53.739%0.3929%0.293SS..THydrogen-bonded Turntrans-64.6-24-173.324.9-35.9000113.7V79 N81 R104 Y106V79-P108 HydrophobicContact CG1-CG 3.69Å; N81-P108 WeakPolarHBondContact OD1-CG 3.48Å; R104-P108 WeakPolarHBondContact O-CA 3.4Å; Y106-P108 WeakPolarHBondContact O-CD 3.27Å
109Q95.9Very high94.9Very high92 Ų9249.7 Ų49.743%0.4327%0.268SS..THydrogen-bonded Turntrans-98.419.2177-61.1-175.1-22.700112.7N81 Q82 F107N81-Q109 PolarHBondContact O-OE1 2.89Å; Q82-Q109 VanDerWaalsContact C-OE1 3.3Å; Q82-Q109 VanDerWaalsContact CA-OE1 3.25Å; F107-Q109 PolarHBondContact O-N 3Å
110S96.1Very high94.5Very high14 Ų1450.4 Ų50.410%0.09827%0.269CS..EExtended strand (participates in β ladder)trans-72.7141.8179.954.70000112.6V84 F107V84-S110 CarbonylContact O-C 3.58Å; V84-S110 WeakPolarHBondContact O-CA 3.3Å; F107-S110 VanDerWaalsContact O-CB 3.26Å; F107-S110 WeakPolarHBondContact O-CB 3.28Å; F107-S110 PolarHBondContact O-N 3.26Å; F107-S110 PolarHBondContact O-OG 2.92Å
111K95.1Very high94.2Very high64 Ų6453.1 Ų53.128%0.27828%0.279SS..EExtended strand (participates in β ladder)trans-103.7132.6160.1-64.7-165.7178-165.90108.2V84 L85 F86 F143 P145V84-K111 PolarHBondContact O-N 2.96Å; L85-K111 WeakPolarHBondContact CA-O 3.32Å; L85-K111 HydrophobicContact CD1-CB 4.19Å; F86-K111 PolarHBondContact N-O 3.1Å; K111-F143 HydrophobicContact CD-CD1 4.05Å; K111-F143 HydrophobicContact CD-CE1 4.11Å; K111-F143 PolarHBondContact NZ-O 2.93Å; K111-P145 HydrophobicContact CD-CG 4.11Å
112I95.3Very high94.1Very high2 Ų249.6 Ų49.61%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-121.3119.8-176-57.9168.4000106.9F86 L95 L100 V103 E153 I154F86-I112 HydrophobicContact CB-CB 4.36Å; F86-I112 HydrophobicContact CB-CG1 4.03Å; F86-I112 HydrophobicContact CB-CG2 4.19Å; F86-I112 HydrophobicContact CD2-CG1 4.02Å; F86-I112 HydrophobicContact CG-CG1 4.27Å; L95-I112 HydrophobicContact CD2-CG2 3.48Å; L95-I112 VanDerWaalsContact CD2-CG2 3.48Å; L95-I112 HydrophobicContact CG-CG2 4Å; L100-I112 HydrophobicContact CD2-CD1 3.63Å; L100-I112 HydrophobicContact CD2-CG2 4.17Å; V103-I112 HydrophobicContact CB-CD1 4.14Å; V103-I112 HydrophobicContact CG1-CD1 3.75Å; V103-I112 HydrophobicContact CG1-CG1 4.47Å; I112-E153 CarbonylContact O-C 3.59Å; I112-E153 WeakPolarHBondContact O-CA 3.45Å; I112-I154 HydrophobicContact CG2-CB 4.39Å; I112-I154 HydrophobicContact CG2-CD1 4.02Å; I112-I154 HydrophobicContact CG2-CG1 4.3Å; I112-I154 PolarHBondContact O-N 3.44Å
113V95.2Very high94.1Very high0 Ų052.5 Ų52.50%026%0.259CS..EExtended strand (participates in β ladder)trans-128.7149.8-172.4-54.80000111.3L85 F86 V87 A88 L133 P145 V151 T152 E153L85-V113 HydrophobicContact CD1-CG1 4.09Å; L85-V113 HydrophobicContact CD1-CG2 3.99Å; F86-V113 WeakPolarHBondContact O-CG2 3.5Å; F86-V113 PolarHBondContact O-N 2.98Å; V87-V113 HydrophobicContact CB-CG2 4.38Å; V87-V113 HydrophobicContact CG1-CG2 4.35Å; V87-V113 HydrophobicContact CG2-CG2 4.07Å; A88-V113 PolarHBondContact N-O 2.89Å; V113-L133 HydrophobicContact CG2-CD1 4.26Å; V113-P145 HydrophobicContact CG1-CB 3.49Å; V113-P145 VanDerWaalsContact CG1-CB 3.49Å; V113-P145 HydrophobicContact CG1-CG 3.88Å; V113-V151 HydrophobicContact CB-CG1 3.59Å; V113-V151 HydrophobicContact CG1-CG1 4.09Å; V113-V151 HydrophobicContact CG2-CG1 3.99Å; V113-T152 CarbonylContact C-O 3.47Å; V113-T152 VanDerWaalsContact CA-O 3.28Å; V113-T152 WeakPolarHBondContact CA-O 3.45Å; V113-E153 HydrophobicContact CG1-CB 4.46Å; V113-E153 HydrophobicContact CG1-CG 4.46Å
114Q95.1Very high93.9Very high50 Ų5058 Ų5823%0.23428%0.282CS..EExtended strand (participates in β ladder)trans-114.1135.9170.7-80.1171-20.200110.3A88 V151 T152 I154A88-Q114 HydrophobicContact CB-CG 3.94Å; A88-Q114 VanDerWaalsContact O-CA 3.3Å; A88-Q114 WeakPolarHBondContact O-CA 3.43Å; Q114-V151 CarbonylContact O-C 3.5Å; Q114-V151 VanDerWaalsContact O-CA 3.3Å; Q114-V151 WeakPolarHBondContact O-CA 3.31Å; Q114-T152 PolarHBondContact N-O 3.44Å; Q114-T152 PolarHBondContact O-N 3.47Å; Q114-I154 HydrophobicContact CG-CD1 3.62Å; Q114-I154 HydrophobicContact CG-CG1 4.03Å
115I95.7Very high93.7Very high0 Ų056.2 Ų56.20%028%0.28CS..EExtended strand (participates in β ladder)trans-93.5126.2170.1-53.6178.7000108.6V87 A88 S90 T118 V122 A126 T129 V130 L133 D150 V151V87-I115 HydrophobicContact CG1-CD1 3.61Å; V87-I115 HydrophobicContact CG1-CG1 3.92Å; A88-I115 PolarHBondContact O-N 3.26Å; S90-I115 WeakPolarHBondContact CB-O 3.33Å; S90-I115 PolarHBondContact N-O 3.03Å; S90-I115 PolarHBondContact OG-O 2.95Å; I115-T118 HydrophobicContact CB-CG2 3.92Å; I115-T118 HydrophobicContact CG2-CG2 3.65Å; I115-T118 PolarHBondContact O-OG1 2.87Å; I115-V122 HydrophobicContact CD1-CB 4.39Å; I115-A126 HydrophobicContact CD1-CB 4.37Å; I115-A126 HydrophobicContact CG2-CB 3.78Å; I115-T129 HydrophobicContact CD1-CG2 3.86Å; I115-T129 HydrophobicContact CG1-CG2 4.16Å; I115-T129 HydrophobicContact CG2-CG2 4.02Å; I115-V130 HydrophobicContact CD1-CG2 3.48Å; I115-V130 VanDerWaalsContact CD1-CG2 3.48Å; I115-L133 HydrophobicContact CD1-CD1 3.88Å; I115-L133 HydrophobicContact CG1-CD1 4.07Å; I115-D150 WeakPolarHBondContact CA-O 3.34Å; I115-V151 HydrophobicContact CG1-CG2 4.31Å
116A94.7Very high93.7Very high39 Ų3951.2 Ų51.232%0.32226%0.261SS..THydrogen-bonded Turntrans-63.7148.6179.600000112.2T118 D150A116-T118 PolarHBondContact O-N 2.98Å; A116-D150 PolarHBondContact N-O 2.94Å
117N92.5Very high93.6Very high151 Ų15152.7 Ų52.781%0.80727%0.274SS*.THydrogen-bonded Turntrans57.633.1177.1-48.2-56.6000113.7S90S90-N117 PolarHBondContact OG-N 2.88Å; S90-N117 VanDerWaalsContact OG-N 3.08Å
118T92.3Very high93.6Very high2 Ų255.5 Ų55.51%0.01229%0.292CS..  trans-116.4139.4176.758.90000111.4A89 S90 D91 I115 A116 D125 A126A89-T118 VanDerWaalsContact CA-OG1 3.26Å; A89-T118 WeakPolarHBondContact CA-OG1 3.41Å; S90-T118 PolarHBondContact N-OG1 3.2Å; S90-T118 PolarHBondContact OG-N 2.84Å; S90-T118 PolarHBondContact OG-O 2.7Å; D91-T118 WeakPolarHBondContact CB-O 3.31Å; D91-T118 PolarHBondContact N-O 3.31Å; D91-T118 VanDerWaalsContact N-O 3.08Å; I115-T118 HydrophobicContact CB-CG2 3.92Å; I115-T118 HydrophobicContact CG2-CG2 3.65Å; I115-T118 PolarHBondContact O-OG1 2.87Å; A116-T118 PolarHBondContact O-N 2.98Å; T118-D125 HydrophobicContact CG2-CB 3.79Å; T118-A126 HydrophobicContact CG2-CB 3.63Å
119G87Confident93.6Very high19 Ų1953.7 Ų53.720%0.19628%0.28CS..  trans-91-159.2170.700000111.6A89 W121 D125A89-G119 WeakPolarHBondContact CB-O 3.44Å; G119-W121 PolarHBondContact O-N 3.26Å; G119-D125 VanDerWaalsContact CA-OD2 3.27Å; G119-D125 WeakPolarHBondContact CA-OD2 3.49Å; G119-D125 PolarHBondContact N-OD2 3.1Å
120H83.8Confident93.7Very high73 Ų7349.9 Ų49.934%0.33826%0.263SS..SBendtrans-57.1-21.6-169.3-65.3-62.3000116.3M37 Y94M37-H120 HydrophobicContact CE-CB 4.13Å; Y94-H120 AromaticContact CE2-ND1 3.66Å
121W88.4Confident93.8Very high61 Ų6152.9 Ų52.923%0.23128%0.281CS..  trans-118.882.4-179.1-60.1-47.7000110.7T36 M37 F40 G119 H123 F124 D125T36-W121 HydrophobicContact CG2-CZ3 4.15Å; M37-W121 HydrophobicContact CE-CH2 3.96Å; M37-W121 HydrophobicContact CE-CZ2 3.79Å; M37-W121 HydrophobicContact SD-CH2 3.68Å; M37-W121 HydrophobicContact SD-CZ2 3.72Å; F40-W121 HydrophobicContact CB-CH2 3.19Å; F40-W121 HydrophobicContact CB-CZ2 4.09Å; F40-W121 HydrophobicContact CB-CZ3 3.66Å; F40-W121 AromaticContact CD1-CH2 3.34Å; F40-W121 HydrophobicContact CD1-CH2 3.34Å; F40-W121 AromaticContact CD1-CZ2 3.33Å; F40-W121 HydrophobicContact CD1-CZ2 3.33Å; F40-W121 HydrophobicContact CD1-CZ3 4.47Å; F40-W121 AromaticContact CD2-CH2 3.84Å; F40-W121 HydrophobicContact CD2-CH2 3.84Å; F40-W121 HydrophobicContact CD2-CZ2 4.02Å; F40-W121 HydrophobicContact CD2-CZ3 4.29Å; F40-W121 HydrophobicContact CE1-CH2 4.13Å; F40-W121 AromaticContact CE1-CZ2 3.65Å; F40-W121 HydrophobicContact CE1-CZ2 3.65Å; F40-W121 HydrophobicContact CE2-CZ2 4.29Å; F40-W121 AromaticContact CG-CH2 3.15Å; F40-W121 HydrophobicContact CG-CH2 3.15Å; F40-W121 AromaticContact CG-CZ2 3.53Å; F40-W121 HydrophobicContact CG-CZ2 3.53Å; F40-W121 AromaticContact CG-CZ3 3.9Å; F40-W121 HydrophobicContact CG-CZ3 3.9Å; F40-W121 HydrophobicContact CZ-CZ2 4.12Å; G119-W121 PolarHBondContact O-N 3.26Å; W121-H123 PolarHBondContact O-N 2.82Å; W121-F124 HydrophobicContact CB-CB 3.85Å; W121-F124 WeakPolarHBondContact O-CA 3.5Å; W121-F124 WeakPolarHBondContact O-CB 3.45Å; W121-F124 PolarHBondContact O-N 3.11Å; W121-D125 PolarHBondContact O-N 3.18Å
122V93.7Very high93.9Very high20 Ų2054 Ų5412%0.12129%0.29CS..Hα-helixtrans-51.1-35-179.7-62.40000114V87 A89 I115 F124 A126 V130V87-V122 HydrophobicContact CG1-CG2 4.14Å; A89-V122 HydrophobicContact CB-CG1 3.63Å; I115-V122 HydrophobicContact CD1-CB 4.39Å; V122-F124 VanDerWaalsContact C-N 3.32Å; V122-A126 CarbonylContact O-C 3.54Å; V122-A126 WeakPolarHBondContact O-CA 3.45Å; V122-A126 PolarHBondContact O-N 3.05Å; V122-V130 HydrophobicContact CB-CG2 4.02Å; V122-V130 HydrophobicContact CG2-CG2 3.96Å; V122-V130 WeakPolarHBondContact O-CG2 3.45Å
123H94.2Very high93.9Very high120 Ų12054 Ų5456%0.55629%0.29SS*.Hα-helixtrans-75.8-20.9179.862.1-86.2000113.2W121 P127 V130W121-H123 PolarHBondContact O-N 2.82Å; H123-P127 WeakPolarHBondContact O-CA 3.45Å; H123-P127 WeakPolarHBondContact O-CB 3.49Å; H123-V130 HydrophobicContact CB-CG1 4.19Å
124F92Very high94Very high133 Ų13357.9 Ų57.958%0.58331%0.31SS*.Hα-helixtrans-86.2-43172.6175.7-96.6000110.8T36 W121 V122T36-F124 HydrophobicContact CG2-CE1 4.3Å; W121-F124 HydrophobicContact CB-CB 3.85Å; W121-F124 WeakPolarHBondContact O-CA 3.5Å; W121-F124 WeakPolarHBondContact O-CB 3.45Å; W121-F124 PolarHBondContact O-N 3.11Å; V122-F124 VanDerWaalsContact C-N 3.32Å
125D92.8Very high94.1Very high68 Ų6858.6 Ų58.636%0.36432%0.318SS..Hα-helixtrans-77.3-35.6-176.6-63.8-34.7000112.6T118 G119 W121T118-D125 HydrophobicContact CG2-CB 3.79Å; G119-D125 VanDerWaalsContact CA-OD2 3.27Å; G119-D125 WeakPolarHBondContact CA-OD2 3.49Å; G119-D125 PolarHBondContact N-OD2 3.1Å; W121-D125 PolarHBondContact O-N 3.18Å
126A95.4Very high94.1Very high13 Ų1360.6 Ų60.611%0.10733%0.332CS..SBendtrans-134.260.9-178.500000112.1I115 T118 V122 N128 T129 V130I115-A126 HydrophobicContact CD1-CB 4.37Å; I115-A126 HydrophobicContact CG2-CB 3.78Å; T118-A126 HydrophobicContact CG2-CB 3.63Å; V122-A126 CarbonylContact O-C 3.54Å; V122-A126 WeakPolarHBondContact O-CA 3.45Å; V122-A126 PolarHBondContact O-N 3.05Å; A126-N128 VanDerWaalsContact C-N 3.3Å; A126-N128 PolarHBondContact O-N 3.47Å; A126-T129 PolarHBondContact O-N 3.37Å; A126-V130 WeakPolarHBondContact O-CG2 3.26Å; A126-V130 PolarHBondContact O-N 2.88Å
127P96.6Very high94.2Very high62 Ų6260.7 Ų60.740%0.40333%0.325SS..Hα-helixtrans-57.9-40.1-172.622.1-33.6000113.1H123 T131H123-P127 WeakPolarHBondContact O-CA 3.45Å; H123-P127 WeakPolarHBondContact O-CB 3.49Å; P127-T131 WeakPolarHBondContact O-CB 3.39Å; P127-T131 PolarHBondContact O-N 3.2Å; P127-T131 PolarHBondContact O-OG1 3.4Å
128N97.3Very high94.4Very high122 Ų12259.9 Ų59.965%0.65232%0.318SS*.Hα-helixtrans-69.4-47.5-180-67-22.9000111.4A126 V130 T131 N132A126-N128 VanDerWaalsContact C-N 3.3Å; A126-N128 PolarHBondContact O-N 3.47Å; N128-V130 PolarHBondContact O-N 3.01Å; N128-T131 PolarHBondContact O-N 3.25Å; N128-N132 WeakPolarHBondContact O-CB 3.4Å; N128-N132 PolarHBondContact O-N 2.74Å; N128-N132 PolarHBondContact O-ND2 2.94Å
129T97.2Very high94.5Very high22 Ų2266.6 Ų66.614%0.13535%0.353CS..Hα-helixtrans-60.7-45.2178.2-52.30000110.9I115 A126 T131 N132 L133 F148 D150 V151I115-T129 HydrophobicContact CD1-CG2 3.86Å; I115-T129 HydrophobicContact CG1-CG2 4.16Å; I115-T129 HydrophobicContact CG2-CG2 4.02Å; A126-T129 PolarHBondContact O-N 3.37Å; T129-T131 PolarHBondContact O-N 3.38Å; T129-N132 PolarHBondContact O-N 3.14Å; T129-L133 HydrophobicContact CG2-CD1 4.08Å; T129-L133 HydrophobicContact CG2-CG 4.43Å; T129-L133 WeakPolarHBondContact O-CB 3.45Å; T129-L133 WeakPolarHBondContact O-CG 3.45Å; T129-L133 PolarHBondContact O-N 3.19Å; T129-F148 HydrophobicContact CG2-CD1 4.32Å; T129-D150 WeakPolarHBondContact CB-OD2 3.21Å; T129-D150 WeakPolarHBondContact CG2-OD2 3.14Å; T129-D150 PolarHBondContact OG1-OD2 3.43Å; T129-V151 HydrophobicContact CG2-CG2 3.7Å
130V97.3Very high94.7Very high13 Ų1369 Ų698%0.07936%0.361CS..Hα-helixtrans-60.5-47.5175.8171.80000111.6V87 I115 V122 H123 A126 N128 N132 L133 I134V87-V130 HydrophobicContact CG1-CG2 4.46Å; I115-V130 HydrophobicContact CD1-CG2 3.48Å; I115-V130 VanDerWaalsContact CD1-CG2 3.48Å; V122-V130 HydrophobicContact CB-CG2 4.02Å; V122-V130 HydrophobicContact CG2-CG2 3.96Å; V122-V130 WeakPolarHBondContact O-CG2 3.45Å; H123-V130 HydrophobicContact CB-CG1 4.19Å; A126-V130 WeakPolarHBondContact O-CG2 3.26Å; A126-V130 PolarHBondContact O-N 2.88Å; N128-V130 PolarHBondContact O-N 3.01Å; V130-N132 VanDerWaalsContact C-N 3.34Å; V130-N132 PolarHBondContact O-N 3.03Å; V130-L133 PolarHBondContact O-N 2.98Å; V130-I134 HydrophobicContact CG1-CD1 3.72Å; V130-I134 HydrophobicContact CG1-CG1 4.48Å; V130-I134 VanDerWaalsContact O-CG1 3.3Å; V130-I134 WeakPolarHBondContact O-CG1 3.28Å; V130-I134 PolarHBondContact O-N 3.42Å
131T97.6Very high94.7Very high77 Ų7776.2 Ų76.247%0.47239%0.392SS..Hα-helixtrans-61.8-43179.7-58.50000111.5P127 N128 T129 T135P127-T131 WeakPolarHBondContact O-CB 3.39Å; P127-T131 PolarHBondContact O-N 3.2Å; P127-T131 PolarHBondContact O-OG1 3.4Å; N128-T131 PolarHBondContact O-N 3.25Å; T129-T131 PolarHBondContact O-N 3.38Å; T131-T135 VanDerWaalsContact O-CB 3.29Å; T131-T135 WeakPolarHBondContact O-CB 3.29Å; T131-T135 PolarHBondContact O-N 3.27Å; T131-T135 PolarHBondContact O-OG1 3.23Å
132N96.9Very high94.8Very high88 Ų8877.8 Ų77.847%0.47141%0.412SS..Hα-helixtrans-69-39.8179.4-70.2-16.1000112N128 T129 V130 T135 S136 F148N128-N132 WeakPolarHBondContact O-CB 3.4Å; N128-N132 PolarHBondContact O-N 2.74Å; N128-N132 PolarHBondContact O-ND2 2.94Å; T129-N132 PolarHBondContact O-N 3.14Å; V130-N132 VanDerWaalsContact C-N 3.34Å; V130-N132 PolarHBondContact O-N 3.03Å; N132-T135 PolarHBondContact O-N 3.09Å; N132-S136 VanDerWaalsContact O-CB 3.24Å; N132-S136 WeakPolarHBondContact O-CB 3.38Å; N132-S136 PolarHBondContact O-N 2.89Å; N132-S136 PolarHBondContact O-OG 3.38Å; N132-F148 HydrophobicContact CB-CE1 3.62Å; N132-F148 HydrophobicContact CB-CZ 4.23Å
133L97.2Very high94.8Very high0 Ų077.4 Ų77.40%041%0.409CS..Hα-helixtrans-60.1-50174.1-81.9169.9000111.1L85 V87 V113 I115 T129 V130 S136 F137 F143 F148 V151L85-L133 HydrophobicContact CD2-CB 4.28Å; V87-L133 HydrophobicContact CG1-CD1 4.18Å; V87-L133 HydrophobicContact CG2-CD1 4.36Å; V113-L133 HydrophobicContact CG2-CD1 4.26Å; I115-L133 HydrophobicContact CD1-CD1 3.88Å; I115-L133 HydrophobicContact CG1-CD1 4.07Å; T129-L133 HydrophobicContact CG2-CD1 4.08Å; T129-L133 HydrophobicContact CG2-CG 4.43Å; T129-L133 WeakPolarHBondContact O-CB 3.45Å; T129-L133 WeakPolarHBondContact O-CG 3.45Å; T129-L133 PolarHBondContact O-N 3.19Å; V130-L133 PolarHBondContact O-N 2.98Å; L133-S136 PolarHBondContact O-N 3.27Å; L133-F137 VanDerWaalsContact O-CB 3.24Å; L133-F137 WeakPolarHBondContact O-CB 3.44Å; L133-F137 PolarHBondContact O-N 3.28Å; L133-F143 HydrophobicContact CD2-CE2 4.13Å; L133-F143 HydrophobicContact CD2-CZ 3.85Å; L133-F148 HydrophobicContact CD2-CD1 4.12Å; L133-F148 HydrophobicContact CD2-CD2 3.8Å; L133-F148 HydrophobicContact CD2-CE1 4.02Å; L133-F148 HydrophobicContact CD2-CE2 3.73Å; L133-F148 HydrophobicContact CD2-CG 4.03Å; L133-F148 HydrophobicContact CD2-CZ 3.84Å; L133-F148 HydrophobicContact CG-CD1 4.13Å; L133-F148 HydrophobicContact CG-CE1 3.89Å; L133-F148 HydrophobicContact CG-CE2 4.47Å; L133-F148 HydrophobicContact CG-CZ 4.09Å; L133-V151 HydrophobicContact CD1-CG2 4Å; L133-V151 HydrophobicContact CD2-CG1 4.4Å; L133-V151 HydrophobicContact CD2-CG2 4.33Å; L133-V151 HydrophobicContact CG-CG2 4.45Å
134I96.6Very high94.7Very high82 Ų8275.2 Ų75.242%0.42140%0.401SS..Hα-helixtrans-61.6-47.9179-67.3167.4000110.2V130 S136 F137 M138V130-I134 HydrophobicContact CG1-CD1 3.72Å; V130-I134 HydrophobicContact CG1-CG1 4.48Å; V130-I134 VanDerWaalsContact O-CG1 3.3Å; V130-I134 WeakPolarHBondContact O-CG1 3.28Å; V130-I134 PolarHBondContact O-N 3.42Å; I134-S136 PolarHBondContact O-N 2.81Å; I134-F137 PolarHBondContact O-N 2.91Å; I134-M138 HydrophobicContact CG2-CG 4.38Å; I134-M138 WeakPolarHBondContact O-CB 3.26Å; I134-M138 VanDerWaalsContact O-CG 3.23Å; I134-M138 WeakPolarHBondContact O-CG 3.41Å; I134-M138 PolarHBondContact O-N 3.38Å
135T96.9Very high94.7Very high65 Ų6568.9 Ų68.940%0.39937%0.374SS..Hα-helixtrans-63.2-44.9-178.1-57.60000111.2T131 N132 M138 L139T131-T135 VanDerWaalsContact O-CB 3.29Å; T131-T135 WeakPolarHBondContact O-CB 3.29Å; T131-T135 PolarHBondContact O-N 3.27Å; T131-T135 PolarHBondContact O-OG1 3.23Å; N132-T135 PolarHBondContact O-N 3.09Å; T135-M138 PolarHBondContact O-N 3.02Å; T135-L139 HydrophobicContact CG2-CD1 3.55Å; T135-L139 HydrophobicContact CG2-CG 4.25Å; T135-L139 WeakPolarHBondContact O-CB 3.44Å; T135-L139 VanDerWaalsContact O-CG 3.28Å; T135-L139 WeakPolarHBondContact O-CG 3.4Å; T135-L139 PolarHBondContact O-N 3.25Å
136S96.4Very high94.5Very high43 Ų4369.9 Ų69.930%0.30138%0.382SS..Hα-helixtrans-64.6-43.2178-54.80000111.3N132 L133 I134 M138 L139 D140N132-S136 VanDerWaalsContact O-CB 3.24Å; N132-S136 WeakPolarHBondContact O-CB 3.38Å; N132-S136 PolarHBondContact O-N 2.89Å; N132-S136 PolarHBondContact O-OG 3.38Å; L133-S136 PolarHBondContact O-N 3.27Å; I134-S136 PolarHBondContact O-N 2.81Å; S136-M138 VanDerWaalsContact C-N 3.3Å; S136-M138 PolarHBondContact O-N 3.42Å; S136-L139 PolarHBondContact O-N 3.33Å; S136-D140 VanDerWaalsContact O-CB 3.3Å; S136-D140 WeakPolarHBondContact O-CB 3.29Å; S136-D140 PolarHBondContact O-N 2.8Å
137F96.9Very high94.2Very high41 Ų4173.5 Ų73.518%0.1841%0.407CS..Hα-helixtrans-62.2-35.8176.8175-104.3000113.1P83 L85 L133 I134 F143P83-F137 HydrophobicContact CB-CE2 3.89Å; P83-F137 HydrophobicContact CB-CZ 3.95Å; L85-F137 HydrophobicContact CB-CD1 4.03Å; L85-F137 HydrophobicContact CB-CD2 3.91Å; L85-F137 HydrophobicContact CB-CE1 4.14Å; L85-F137 HydrophobicContact CB-CE2 4.02Å; L85-F137 HydrophobicContact CB-CG 3.91Å; L85-F137 HydrophobicContact CB-CZ 4.14Å; L85-F137 HydrophobicContact CD2-CB 3.89Å; L85-F137 HydrophobicContact CD2-CG 4.09Å; L133-F137 VanDerWaalsContact O-CB 3.24Å; L133-F137 WeakPolarHBondContact O-CB 3.44Å; L133-F137 PolarHBondContact O-N 3.28Å; I134-F137 PolarHBondContact O-N 2.91Å; F137-F143 HydrophobicContact CB-CD1 4.23Å; F137-F143 HydrophobicContact CB-CD2 4.01Å; F137-F143 HydrophobicContact CB-CE1 4.36Å; F137-F143 HydrophobicContact CB-CE2 4.13Å; F137-F143 HydrophobicContact CB-CG 4.04Å; F137-F143 HydrophobicContact CB-CZ 4.31Å; F137-F143 AromaticContact CD2-CD1 3.7Å; F137-F143 HydrophobicContact CD2-CD1 3.7Å; F137-F143 HydrophobicContact CD2-CE1 4.13Å; F137-F143 HydrophobicContact CD2-CG 4.12Å; F137-F143 HydrophobicContact CG-CD1 4.46Å
138M95.9Very high94.1Very high133 Ų13371.9 Ų71.966%0.65539%0.393SS*.Hα-helixtrans-79.3-32.8179.7-67.5-61.6166.800113.4I134 T135 S136I134-M138 HydrophobicContact CG2-CG 4.38Å; I134-M138 WeakPolarHBondContact O-CB 3.26Å; I134-M138 VanDerWaalsContact O-CG 3.23Å; I134-M138 WeakPolarHBondContact O-CG 3.41Å; I134-M138 PolarHBondContact O-N 3.38Å; T135-M138 PolarHBondContact O-N 3.02Å; S136-M138 VanDerWaalsContact C-N 3.3Å; S136-M138 PolarHBondContact O-N 3.42Å
139L95.1Very high94Very high143 Ų14373.2 Ų73.275%0.74941%0.406SS*.Hα-helixtrans-95.7-29.4-173.9-63.2-179.6000113.6T135 S136T135-L139 HydrophobicContact CG2-CD1 3.55Å; T135-L139 HydrophobicContact CG2-CG 4.25Å; T135-L139 WeakPolarHBondContact O-CB 3.44Å; T135-L139 VanDerWaalsContact O-CG 3.28Å; T135-L139 WeakPolarHBondContact O-CG 3.4Å; T135-L139 PolarHBondContact O-N 3.25Å; S136-L139 PolarHBondContact O-N 3.33Å
140D90.3Very high93.9Very high70 Ų7074.4 Ų74.437%0.37441%0.412SS..  trans-108.5112.1-175.1-176.39.7000111.7S136 S142 F143S136-D140 VanDerWaalsContact O-CB 3.3Å; S136-D140 WeakPolarHBondContact O-CB 3.29Å; S136-D140 PolarHBondContact O-N 2.8Å; D140-S142 PolarHBondContact O-N 3.36Å; D140-S142 WeakPolarHBondContact OD1-CA 3.3Å; D140-S142 PolarHBondContact OD1-N 3.39Å; D140-S142 PolarHBondContact OD1-OG 3.04Å; D140-S142 PolarHBondContact OD2-OG 3.24Å; D140-F143 VanDerWaalsContact O-CB 3.3Å; D140-F143 WeakPolarHBondContact O-CB 3.45Å; D140-F143 PolarHBondContact O-N 2.96Å; D140-F143 PolarHBondContact OD2-N 3.32Å
141K84.9Confident93.9Very high225 Ų22574.4 Ų74.498%0.97841%0.412SS*.THydrogen-bonded Turntrans-64.7-20.3174.4-66.1-173.8179.9-179.40112.9
142S89.4Confident93.7Very high94 Ų9475 Ų7566%0.65742%0.416SS*.THydrogen-bonded Turntrans-97.817.6173.644.70000113.7D140 D144D140-S142 PolarHBondContact O-N 3.36Å; D140-S142 WeakPolarHBondContact OD1-CA 3.3Å; D140-S142 PolarHBondContact OD1-N 3.39Å; D140-S142 PolarHBondContact OD1-OG 3.04Å; D140-S142 PolarHBondContact OD2-OG 3.24Å; S142-D144 PolarHBondContact O-N 3.21Å; S142-D144 VanDerWaalsContact O-N 3.14Å
143F93.1Very high93.6Very high12 Ų1272.9 Ų72.95%0.05340%0.403CS..  trans-39.5119.2-179.4169.1-102.7000112.8L85 K111 L133 F137 D140 P145 F148L85-F143 HydrophobicContact CD1-CE1 3.9Å; L85-F143 HydrophobicContact CD1-CZ 4.16Å; L85-F143 HydrophobicContact CD2-CE1 4.27Å; L85-F143 HydrophobicContact CD2-CZ 3.99Å; K111-F143 HydrophobicContact CD-CD1 4.05Å; K111-F143 HydrophobicContact CD-CE1 4.11Å; K111-F143 PolarHBondContact NZ-O 2.93Å; L133-F143 HydrophobicContact CD2-CE2 4.13Å; L133-F143 HydrophobicContact CD2-CZ 3.85Å; F137-F143 HydrophobicContact CB-CD1 4.23Å; F137-F143 HydrophobicContact CB-CD2 4.01Å; F137-F143 HydrophobicContact CB-CE1 4.36Å; F137-F143 HydrophobicContact CB-CE2 4.13Å; F137-F143 HydrophobicContact CB-CG 4.04Å; F137-F143 HydrophobicContact CB-CZ 4.31Å; F137-F143 AromaticContact CD2-CD1 3.7Å; F137-F143 HydrophobicContact CD2-CD1 3.7Å; F137-F143 HydrophobicContact CD2-CE1 4.13Å; F137-F143 HydrophobicContact CD2-CG 4.12Å; F137-F143 HydrophobicContact CG-CD1 4.46Å; D140-F143 VanDerWaalsContact O-CB 3.3Å; D140-F143 WeakPolarHBondContact O-CB 3.45Å; D140-F143 PolarHBondContact O-N 2.96Å; D140-F143 PolarHBondContact OD2-N 3.32Å; F143-P145 HydrophobicContact CE1-CB 4.09Å; F143-P145 HydrophobicContact CE1-CG 4.3Å; F143-P145 HydrophobicContact CZ-CB 3.94Å; F143-F148 HydrophobicContact CE2-CE2 4.1Å
144D93.2Very high93.3Very high73 Ų7373.8 Ų73.839%0.3941%0.407SS..  trans-120.5110.5176.4-175.2-1.5000110.2S142 T146 S147S142-D144 PolarHBondContact O-N 3.21Å; S142-D144 VanDerWaalsContact O-N 3.14Å; D144-T146 PolarHBondContact O-N 2.85Å; D144-T146 WeakPolarHBondContact OD1-CB 3.43Å; D144-T146 WeakPolarHBondContact OD1-CG2 3.21Å; D144-T146 PolarHBondContact OD1-N 3.21Å; D144-T146 PolarHBondContact OD1-OG1 3.09Å; D144-T146 PolarHBondContact OD2-OG1 3.13Å; D144-S147 WeakPolarHBondContact O-CB 3.44Å; D144-S147 PolarHBondContact O-N 2.93Å; D144-S147 PolarHBondContact O-OG 3.15Å
145P91.8Very high92.8Very high1 Ų177.1 Ų77.11%0.00642%0.419CS..G310 helixtrans-66.1-17.7-179.928.6-35.3000113.3K111 V113 F143 S147 F148 V151 E153K111-P145 HydrophobicContact CD-CG 4.11Å; V113-P145 HydrophobicContact CG1-CB 3.49Å; V113-P145 VanDerWaalsContact CG1-CB 3.49Å; V113-P145 HydrophobicContact CG1-CG 3.88Å; F143-P145 HydrophobicContact CE1-CB 4.09Å; F143-P145 HydrophobicContact CE1-CG 4.3Å; F143-P145 HydrophobicContact CZ-CB 3.94Å; P145-S147 PolarHBondContact O-N 2.93Å; P145-F148 PolarHBondContact O-N 3.12Å; P145-V151 HydrophobicContact CB-CG1 4.4Å; P145-E153 HydrophobicContact CG-CB 4.24Å; P145-E153 HydrophobicContact CG-CG 4.27Å
146T88.3Confident92.6Very high88 Ų8877.7 Ų77.754%0.5442%0.42SS..G310 helixtrans-72.1-9.4178.671.10000113.5D144 F148D144-T146 PolarHBondContact O-N 2.85Å; D144-T146 WeakPolarHBondContact OD1-CB 3.43Å; D144-T146 WeakPolarHBondContact OD1-CG2 3.21Å; D144-T146 PolarHBondContact OD1-N 3.21Å; D144-T146 PolarHBondContact OD1-OG1 3.09Å; D144-T146 PolarHBondContact OD2-OG1 3.13Å; T146-F148 PolarHBondContact O-N 3.29Å
147S90Very high92.4Very high89 Ų8979.5 Ų79.562%0.62243%0.426SS*.G310 helixtrans-69.9-10.9171.462.30000113.9D144 P145D144-S147 WeakPolarHBondContact O-CB 3.44Å; D144-S147 PolarHBondContact O-N 2.93Å; D144-S147 PolarHBondContact O-OG 3.15Å; P145-S147 PolarHBondContact O-N 2.93Å
148F94.8Very high92.1Very high28 Ų2881.7 Ų81.712%0.12344%0.44CS..SBendtrans-101.2122.6179.4-65.6-107.2000110.1T129 N132 L133 F143 P145 T146 D150 V151T129-F148 HydrophobicContact CG2-CD1 4.32Å; N132-F148 HydrophobicContact CB-CE1 3.62Å; N132-F148 HydrophobicContact CB-CZ 4.23Å; L133-F148 HydrophobicContact CD2-CD1 4.12Å; L133-F148 HydrophobicContact CD2-CD2 3.8Å; L133-F148 HydrophobicContact CD2-CE1 4.02Å; L133-F148 HydrophobicContact CD2-CE2 3.73Å; L133-F148 HydrophobicContact CD2-CG 4.03Å; L133-F148 HydrophobicContact CD2-CZ 3.84Å; L133-F148 HydrophobicContact CG-CD1 4.13Å; L133-F148 HydrophobicContact CG-CE1 3.89Å; L133-F148 HydrophobicContact CG-CE2 4.47Å; L133-F148 HydrophobicContact CG-CZ 4.09Å; F143-F148 HydrophobicContact CE2-CE2 4.1Å; P145-F148 PolarHBondContact O-N 3.12Å; T146-F148 PolarHBondContact O-N 3.29Å; F148-D150 VanDerWaalsContact C-N 3.29Å; F148-D150 PolarHBondContact O-N 3.44Å; F148-V151 HydrophobicContact CB-CB 3.65Å; F148-V151 HydrophobicContact CB-CG2 3.41Å; F148-V151 VanDerWaalsContact CB-CG2 3.41Å; F148-V151 HydrophobicContact CD1-CG2 4.36Å; F148-V151 HydrophobicContact CG-CG2 4.07Å; F148-V151 PolarHBondContact O-N 3.42Å
149T94.1Very high91.9Very high151 Ų15178.6 Ų78.693%0.92643%0.427SS*.THydrogen-bonded Turntrans-70.5-23.3-173.152.30000114.3
150D95.4Very high91.7Very high47 Ų4774.6 Ų74.625%0.25141%0.407SS..THydrogen-bonded Turntrans-101.311.7-179.762.2-32.6000112.6I115 A116 T129 F148I115-D150 WeakPolarHBondContact CA-O 3.34Å; A116-D150 PolarHBondContact N-O 2.94Å; T129-D150 WeakPolarHBondContact CB-OD2 3.21Å; T129-D150 WeakPolarHBondContact CG2-OD2 3.14Å; T129-D150 PolarHBondContact OG1-OD2 3.43Å; F148-D150 VanDerWaalsContact C-N 3.29Å; F148-D150 PolarHBondContact O-N 3.44Å
151V96.4Very high91.8Very high12 Ų1274.9 Ų74.97%0.07341%0.409CS..EExtended strand (participates in β ladder)trans-121.6132.7-175.9-178.50000111V113 Q114 I115 T129 L133 P145 F148V113-V151 HydrophobicContact CB-CG1 3.59Å; V113-V151 HydrophobicContact CG1-CG1 4.09Å; V113-V151 HydrophobicContact CG2-CG1 3.99Å; Q114-V151 CarbonylContact O-C 3.5Å; Q114-V151 VanDerWaalsContact O-CA 3.3Å; Q114-V151 WeakPolarHBondContact O-CA 3.31Å; I115-V151 HydrophobicContact CG1-CG2 4.31Å; T129-V151 HydrophobicContact CG2-CG2 3.7Å; L133-V151 HydrophobicContact CD1-CG2 4Å; L133-V151 HydrophobicContact CD2-CG1 4.4Å; L133-V151 HydrophobicContact CD2-CG2 4.33Å; L133-V151 HydrophobicContact CG-CG2 4.45Å; P145-V151 HydrophobicContact CB-CG1 4.4Å; F148-V151 HydrophobicContact CB-CB 3.65Å; F148-V151 HydrophobicContact CB-CG2 3.41Å; F148-V151 VanDerWaalsContact CB-CG2 3.41Å; F148-V151 HydrophobicContact CD1-CG2 4.36Å; F148-V151 HydrophobicContact CG-CG2 4.07Å; F148-V151 PolarHBondContact O-N 3.42Å
152T94.7Very high92.3Very high91 Ų9164.2 Ų64.256%0.55837%0.368SS*.EExtended strand (participates in β ladder)trans-116.2128.1173.6-59.10000109.9V113 Q114V113-T152 CarbonylContact C-O 3.47Å; V113-T152 VanDerWaalsContact CA-O 3.28Å; V113-T152 WeakPolarHBondContact CA-O 3.45Å; Q114-T152 PolarHBondContact N-O 3.44Å; Q114-T152 PolarHBondContact O-N 3.47Å
153E93.6Very high92.5Very high43 Ų4361.9 Ų61.920%0.20135%0.346CS..EExtended strand (participates in β ladder)trans-79.2126170.6-168.6179.7-173.900110.4I112 V113 P145 K155I112-E153 CarbonylContact O-C 3.59Å; I112-E153 WeakPolarHBondContact O-CA 3.45Å; V113-E153 HydrophobicContact CG1-CB 4.46Å; V113-E153 HydrophobicContact CG1-CG 4.46Å; P145-E153 HydrophobicContact CG-CB 4.24Å; P145-E153 HydrophobicContact CG-CG 4.27Å; E153-K155 HydrophobicContact CG-CG 4.21Å; E153-K155 WeakPolarHBondContact OE1-CE 3.41Å; E153-K155 WeakPolarHBondContact OE2-CE 3.39Å; E153-K155 IonicContact OE2-NZ 3.3Å; E153-K155 PolarHBondContact OE2-NZ 2.91Å
154I90.5Very high92.4Very high18 Ų1866.1 Ų66.19%0.09237%0.37CS..  trans-90.2121.6175.4-34.1178.9000108.9L100 I112 Q114L100-I154 HydrophobicContact CD1-CB 4.42Å; L100-I154 HydrophobicContact CD1-CG2 3.89Å; L100-I154 HydrophobicContact CD2-CG2 4.43Å; I112-I154 HydrophobicContact CG2-CB 4.39Å; I112-I154 HydrophobicContact CG2-CD1 4.02Å; I112-I154 HydrophobicContact CG2-CG1 4.3Å; I112-I154 PolarHBondContact O-N 3.44Å; Q114-I154 HydrophobicContact CG-CD1 3.62Å; Q114-I154 HydrophobicContact CG-CG1 4.03Å
155K86.5Confident92.4Very high152 Ų15265.5 Ų65.566%0.66137%0.369SS*.  trans-1160-174.3-69.7-175-179.7170.90114Q97 R104 E153Q97-K155 PolarHBondContact NE2-O 2.93Å; R104-K155 PolarHBondContact NH2-OXT 3.14Å; E153-K155 HydrophobicContact CG-CG 4.21Å; E153-K155 WeakPolarHBondContact OE1-CE 3.41Å; E153-K155 WeakPolarHBondContact OE2-CE 3.39Å; E153-K155 IonicContact OE2-NZ 3.3Å; E153-K155 PolarHBondContact OE2-NZ 2.91Å

Retrieved 155 of 155 residues in 159 ms (Link to these results)

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