Q99PU1_MOUSE Loading...

Kinesin superfamily protein 18A

AlphaFold DB , UniProt , Accession Q99PU1, Species MOUSE (Mus musculus, Mouse), Gene KIF18A, Length 151 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
1Q39.6Very low63Low141 Ų14169.7 Ų69.766%0.65942%0.423SS*.  0910-169.9-178.833.700109.9I149Q1-I149 PolarHBondContact N-O 3.16Å
2T41.3Very low64.3Low61 Ų6165.7 Ų65.737%0.37441%0.406SS..  trans-91.3134169.841.20000108.5S112T2-S112 VanDerWaalsContact CG2-OG 3.28Å; T2-S112 WeakPolarHBondContact CG2-OG 3.49Å
3G51.4Low65.3Low81 Ų8164.8 Ų64.884%0.83540%0.404SS*.  trans103.510.9177.200000118.1G5G3-G5 PolarHBondContact O-N 3.34Å
4S56.1Low65.8Low56 Ų5668.1 Ų68.139%0.39244%0.441SS..SBendtrans-8112.4178.986.20000114.9K6S4-K6 VanDerWaalsContact C-N 3.33Å; S4-K6 PolarHBondContact O-N 2.87Å; S4-K6 WeakPolarHBondContact OG-CE 3.36Å; S4-K6 PolarHBondContact OG-NZ 3.24Å
5G61Low66.6Low32 Ų3270.1 Ų70.133%0.3347%0.466SS..SBendtrans73.95.8179.500000117.1G3 T7 H8 T9G3-G5 PolarHBondContact O-N 3.34Å; G5-T7 PolarHBondContact O-N 2.86Å; G5-H8 CarbonylContact O-C 3.59Å; G5-H8 WeakPolarHBondContact O-CA 3.28Å; G5-H8 WeakPolarHBondContact O-CB 3.47Å; G5-H8 PolarHBondContact O-N 2.81Å; G5-H8 VanDerWaalsContact O-N 3.08Å; G5-T9 PolarHBondContact O-N 3.46Å; G5-T9 PolarHBondContact O-OG1 2.74Å
6K70.5Confident67.6Low78 Ų7873.7 Ų73.734%0.33947%0.474SS..Hα-helixtrans-54.9-55.5-177-79.5-178.3-84.8-78.30113.6S4 H8 T9 M10S4-K6 VanDerWaalsContact C-N 3.33Å; S4-K6 PolarHBondContact O-N 2.87Å; S4-K6 WeakPolarHBondContact OG-CE 3.36Å; S4-K6 PolarHBondContact OG-NZ 3.24Å; K6-H8 VanDerWaalsContact C-N 3.25Å; K6-H8 PolarHBondContact O-N 2.96Å; K6-T9 PolarHBondContact O-N 2.95Å; K6-T9 VanDerWaalsContact O-N 3.14Å; K6-M10 WeakPolarHBondContact O-CG 3.39Å; K6-M10 PolarHBondContact O-N 2.83Å
7T69.5Low68.6Low60 Ų6072.4 Ų72.437%0.36847%0.466SS..Hα-helixtrans-63.3-34.1176.8-490000111.5G5 M10 L11 D145G5-T7 PolarHBondContact O-N 2.86Å; T7-M10 PolarHBondContact O-N 2.89Å; T7-L11 HydrophobicContact CG2-CD1 3.74Å; T7-L11 HydrophobicContact CG2-CG 4.28Å; T7-L11 WeakPolarHBondContact O-CB 3.31Å; T7-L11 PolarHBondContact O-N 3.1Å; T7-D145 PolarHBondContact OG1-OD2 3.17Å
8H69.4Low69.6Low99 Ų9968.7 Ų68.746%0.45844%0.443SS..Hα-helixtrans-67.5-37.2174.3-170-81.6000112.1G5 K6 G12 E16G5-H8 CarbonylContact O-C 3.59Å; G5-H8 WeakPolarHBondContact O-CA 3.28Å; G5-H8 WeakPolarHBondContact O-CB 3.47Å; G5-H8 PolarHBondContact O-N 2.81Å; G5-H8 VanDerWaalsContact O-N 3.08Å; K6-H8 VanDerWaalsContact C-N 3.25Å; K6-H8 PolarHBondContact O-N 2.96Å; H8-G12 WeakPolarHBondContact O-CA 3.35Å; H8-G12 PolarHBondContact O-N 3.04Å; H8-E16 IonicContact CE1-OE2 2.97Å; H8-E16 PolarHBondContact CE1-OE2 2.89Å
9T77.8Confident70.7Confident85 Ų8568.4 Ų68.452%0.52144%0.439SS..Hα-helixtrans-70.5-41.4173.8-56.90000111.3G5 K6 G18 V19G5-T9 PolarHBondContact O-N 3.46Å; G5-T9 PolarHBondContact O-OG1 2.74Å; K6-T9 PolarHBondContact O-N 2.95Å; K6-T9 VanDerWaalsContact O-N 3.14Å; T9-G18 CarbonylContact O-C 3.51Å; T9-G18 WeakPolarHBondContact O-CA 3.37Å; T9-V19 HydrophobicContact CG2-CG2 4.09Å; T9-V19 WeakPolarHBondContact O-CG2 3.38Å; T9-V19 PolarHBondContact O-N 2.84Å
10M80Confident71.6Confident35 Ų3565 Ų6517%0.17242%0.417CS..Hα-helixtrans-73.5-48.5-176.8-71.4-60.1-68.800112.7K6 T7 G18 V19 M20 L143 D145K6-M10 WeakPolarHBondContact O-CG 3.39Å; K6-M10 PolarHBondContact O-N 2.83Å; T7-M10 PolarHBondContact O-N 2.89Å; M10-G18 CarbonylContact O-C 3.56Å; M10-V19 PolarHBondContact O-N 2.82Å; M10-M20 HydrophobicContact CB-CE 4.32Å; M10-M20 HydrophobicContact CE-CE 3.34Å; M10-M20 HydrophobicContact CE-CG 3.82Å; M10-M20 HydrophobicContact CE-SD 4.38Å; M10-M20 VanDerWaalsContact O-CB 3.31Å; M10-M20 WeakPolarHBondContact O-CB 3.39Å; M10-M20 VanDerWaalsContact O-CG 3.3Å; M10-M20 WeakPolarHBondContact O-CG 3.29Å; M10-M20 PolarHBondContact O-N 2.92Å; M10-L143 HydrophobicContact CE-CB 4.2Å; M10-D145 HydrophobicContact CG-CB 4.44Å
11L76.9Confident72.5Confident39 Ų3965.6 Ų65.620%0.20441%0.412CS..THydrogen-bonded Turntrans-97.9-36.5-177-62.1-179.3000112.6T7 G18 M20 L94 N98T7-L11 HydrophobicContact CG2-CD1 3.74Å; T7-L11 HydrophobicContact CG2-CG 4.28Å; T7-L11 WeakPolarHBondContact O-CB 3.31Å; T7-L11 PolarHBondContact O-N 3.1Å; L11-G18 PolarHBondContact O-N 2.85Å; L11-M20 HydrophobicContact CD2-SD 3.64Å; L11-L94 HydrophobicContact CD2-CD1 4.38Å; L11-N98 VanDerWaalsContact CD2-ND2 3.33Å; L11-N98 WeakPolarHBondContact CD2-ND2 3.08Å
12G78.5Confident75Confident21 Ų2162.9 Ų62.922%0.21640%0.402CS..BIsolated β-bridgetrans70.4-157.4-173.100000112.8H8 E16H8-G12 WeakPolarHBondContact O-CA 3.35Å; H8-G12 PolarHBondContact O-N 3.04Å; G12-E16 CarbonylContact C-O 3.13Å; G12-E16 WeakPolarHBondContact CA-O 3.46Å
13S76.4Confident77.5Confident54 Ų5461.7 Ų61.738%0.37840%0.395SS..  trans-127.9172.2172.171.30000109.7A15 E16S13-A15 PolarHBondContact O-N 2.77Å; S13-A15 PolarHBondContact OG-N 2.88Å; S13-E16 PolarHBondContact N-O 2.54Å; S13-E16 CarbonylContact O-C 3.59Å; S13-E16 PolarHBondContact O-N 3.36Å; S13-E16 VanDerWaalsContact O-O 3.14Å; S13-E16 PolarHBondContact OG-N 2.86Å; S13-E16 VanDerWaalsContact OG-N 3.12Å
14A73.3Confident79.5Confident112 Ų11257.9 Ų57.993%0.92636%0.355SS*.SBendtrans-59.8-28.1174.800000113.1
15A77.3Confident81.3Confident98 Ų9858.4 Ų58.481%0.8135%0.353SS*.SBendtrans-86.8-26.9177.800000112.8S13S13-A15 PolarHBondContact O-N 2.77Å; S13-A15 PolarHBondContact OG-N 2.88Å
16E82.3Confident82.9Confident127 Ų12761.4 Ų61.459%0.59336%0.362SS*.SBendtrans-136.786.6-178.8-171174-14900109.3H8 G12 S13H8-E16 IonicContact CE1-OE2 2.97Å; H8-E16 PolarHBondContact CE1-OE2 2.89Å; G12-E16 CarbonylContact C-O 3.13Å; G12-E16 WeakPolarHBondContact CA-O 3.46Å; S13-E16 PolarHBondContact N-O 2.54Å; S13-E16 CarbonylContact O-C 3.59Å; S13-E16 PolarHBondContact O-N 3.36Å; S13-E16 VanDerWaalsContact O-O 3.14Å; S13-E16 PolarHBondContact OG-N 2.86Å; S13-E16 VanDerWaalsContact OG-N 3.12Å
17P84.9Confident84.1Confident52 Ų5259 Ų5934%0.33835%0.352SS..BIsolated β-bridgetrans-62.1136.9-176.3-21.832.3000112.2Y21 L22P17-Y21 HydrophobicContact CB-CD1 3.63Å; P17-Y21 HydrophobicContact CB-CE1 4.36Å; P17-Y21 HydrophobicContact CB-CG 3.94Å; P17-Y21 HydrophobicContact CG-CD1 4.26Å; P17-L22 HydrophobicContact CB-CD2 4.28Å; P17-L22 HydrophobicContact CB-CG 4.38Å
18G87.5Confident85.3Confident5 Ų557.1 Ų57.15%0.05234%0.339CS..  trans-81178.5-179.900000113.3T9 M10 L11 M20 Y21 L22T9-G18 CarbonylContact O-C 3.51Å; T9-G18 WeakPolarHBondContact O-CA 3.37Å; M10-G18 CarbonylContact O-C 3.56Å; L11-G18 PolarHBondContact O-N 2.85Å; G18-M20 VanDerWaalsContact C-N 3.29Å; G18-M20 PolarHBondContact O-N 3.12Å; G18-Y21 PolarHBondContact O-N 3.15Å; G18-Y21 VanDerWaalsContact O-N 3.13Å; G18-L22 WeakPolarHBondContact O-CG 3.37Å; G18-L22 PolarHBondContact O-N 2.81Å
19V89.2Confident86.6Confident63 Ų6358.3 Ų58.338%0.38234%0.343SS..Hα-helixtrans-54.9-41.9-177.9174.30000112.1T9 M10 Y21 T23T9-V19 HydrophobicContact CG2-CG2 4.09Å; T9-V19 WeakPolarHBondContact O-CG2 3.38Å; T9-V19 PolarHBondContact O-N 2.84Å; M10-V19 PolarHBondContact O-N 2.82Å; V19-Y21 PolarHBondContact O-N 2.81Å; V19-T23 VanDerWaalsContact O-CB 3.23Å; V19-T23 WeakPolarHBondContact O-CB 3.5Å; V19-T23 PolarHBondContact O-N 2.63Å; V19-T23 PolarHBondContact O-OG1 2.82Å
20M89.6Confident87.4Confident0 Ų057.4 Ų57.40%034%0.339CS..Hα-helixtrans-61.8-45.8-179.6-65.7-168.717800111.3M10 L11 G18 T23 M24 L94 L143 D145M10-M20 HydrophobicContact CB-CE 4.32Å; M10-M20 HydrophobicContact CE-CE 3.34Å; M10-M20 HydrophobicContact CE-CG 3.82Å; M10-M20 HydrophobicContact CE-SD 4.38Å; M10-M20 VanDerWaalsContact O-CB 3.31Å; M10-M20 WeakPolarHBondContact O-CB 3.39Å; M10-M20 VanDerWaalsContact O-CG 3.3Å; M10-M20 WeakPolarHBondContact O-CG 3.29Å; M10-M20 PolarHBondContact O-N 2.92Å; L11-M20 HydrophobicContact CD2-SD 3.64Å; G18-M20 VanDerWaalsContact C-N 3.29Å; G18-M20 PolarHBondContact O-N 3.12Å; M20-T23 PolarHBondContact O-N 3.07Å; M20-M24 WeakPolarHBondContact O-CG 3.07Å; M20-M24 PolarHBondContact O-N 2.98Å; M20-M24 VanDerWaalsContact O-N 3.08Å; M20-L94 HydrophobicContact CB-CD2 4Å; M20-L94 HydrophobicContact SD-CD1 3.97Å; M20-L143 HydrophobicContact CB-CD1 4.31Å; M20-L143 HydrophobicContact CE-CB 3.93Å; M20-L143 HydrophobicContact CG-CB 4.17Å; M20-L143 HydrophobicContact CG-CD1 4.06Å; M20-L143 HydrophobicContact SD-CB 4.42Å; M20-D145 HydrophobicContact CE-CB 4.34Å
21Y90.3Very high88.1Confident79 Ų7957 Ų5731%0.3134%0.337SS..Hα-helixtrans-63.9-50.2-179.2-165.4-83.1000111.3P17 G18 V19 T23 M24 L25 L91P17-Y21 HydrophobicContact CB-CD1 3.63Å; P17-Y21 HydrophobicContact CB-CE1 4.36Å; P17-Y21 HydrophobicContact CB-CG 3.94Å; P17-Y21 HydrophobicContact CG-CD1 4.26Å; G18-Y21 PolarHBondContact O-N 3.15Å; G18-Y21 VanDerWaalsContact O-N 3.13Å; V19-Y21 PolarHBondContact O-N 2.81Å; Y21-T23 VanDerWaalsContact C-N 3.33Å; Y21-T23 PolarHBondContact O-N 2.87Å; Y21-M24 PolarHBondContact O-N 3.13Å; Y21-M24 VanDerWaalsContact O-N 3.15Å; Y21-L25 HydrophobicContact CD1-CD1 3.93Å; Y21-L25 HydrophobicContact CD1-CG 4.26Å; Y21-L25 HydrophobicContact CE1-CD1 3.73Å; Y21-L25 HydrophobicContact CE1-CG 4.14Å; Y21-L25 PolarHBondContact O-N 2.77Å; Y21-L25 VanDerWaalsContact O-N 3.14Å; Y21-L91 HydrophobicContact CD1-CD2 4.31Å; Y21-L91 HydrophobicContact CD2-CD1 4.36Å; Y21-L91 HydrophobicContact CD2-CD2 3.35Å; Y21-L91 HydrophobicContact CD2-CG 4.33Å; Y21-L91 HydrophobicContact CE1-CD1 4.02Å; Y21-L91 HydrophobicContact CE1-CD2 4.46Å; Y21-L91 HydrophobicContact CE2-CB 4.25Å; Y21-L91 HydrophobicContact CE2-CD1 3.7Å; Y21-L91 HydrophobicContact CE2-CD2 3.51Å; Y21-L91 HydrophobicContact CE2-CG 4Å; Y21-L91 HydrophobicContact CG-CD2 3.77Å; Y21-L91 VanDerWaalsContact CZ-CD1 3.5Å
22L92.7Very high89Confident84 Ų8459.4 Ų59.444%0.4435%0.35SS..Hα-helixtrans-60.7-42.1178.3-64.6173.9000111.7P17 G18 M24 L25 D26P17-L22 HydrophobicContact CB-CD2 4.28Å; P17-L22 HydrophobicContact CB-CG 4.38Å; G18-L22 WeakPolarHBondContact O-CG 3.37Å; G18-L22 PolarHBondContact O-N 2.81Å; L22-M24 VanDerWaalsContact C-N 3.29Å; L22-M24 PolarHBondContact O-N 3.42Å; L22-L25 PolarHBondContact O-N 2.81Å; L22-D26 PolarHBondContact O-N 3.39Å
23T93.5Very high89.8Confident36 Ų3664.4 Ų64.422%0.22137%0.368CS..Hα-helixtrans-61.4-37.8176.9-56.30000111.6V19 M20 Y21 L27 M141 L143V19-T23 VanDerWaalsContact O-CB 3.23Å; V19-T23 WeakPolarHBondContact O-CB 3.5Å; V19-T23 PolarHBondContact O-N 2.63Å; V19-T23 PolarHBondContact O-OG1 2.82Å; M20-T23 PolarHBondContact O-N 3.07Å; Y21-T23 VanDerWaalsContact C-N 3.33Å; Y21-T23 PolarHBondContact O-N 2.87Å; T23-L27 WeakPolarHBondContact O-CB 3.48Å; T23-L27 PolarHBondContact O-N 2.75Å; T23-M141 HydrophobicContact CG2-CE 4.34Å; T23-M141 HydrophobicContact CG2-SD 3.76Å; T23-L143 HydrophobicContact CG2-CD1 4.5Å
24M93.6Very high90.7Very high0 Ų064.5 Ų64.50%036%0.364CS..Hα-helixtrans-69.7-40179.5-67.8-43.194.600111.4M20 Y21 L22 L27 F28 I90 L91 F119 I121 L143M20-M24 WeakPolarHBondContact O-CG 3.07Å; M20-M24 PolarHBondContact O-N 2.98Å; M20-M24 VanDerWaalsContact O-N 3.08Å; Y21-M24 PolarHBondContact O-N 3.13Å; Y21-M24 VanDerWaalsContact O-N 3.15Å; L22-M24 VanDerWaalsContact C-N 3.29Å; L22-M24 PolarHBondContact O-N 3.42Å; M24-L27 PolarHBondContact O-N 3.21Å; M24-F28 WeakPolarHBondContact O-CD2 3.44Å; M24-F28 PolarHBondContact O-N 3.35Å; M24-F28 VanDerWaalsContact O-N 3.15Å; M24-I90 HydrophobicContact CB-CG2 3.95Å; M24-I90 HydrophobicContact CG-CD1 4.23Å; M24-I90 HydrophobicContact CG-CG1 4.24Å; M24-I90 HydrophobicContact CG-CG2 4.16Å; M24-I90 HydrophobicContact SD-CD1 3.38Å; M24-I90 WeakPolarHBondContact SD-CD1 3.45Å; M24-I90 HydrophobicContact SD-CG1 3.97Å; M24-L91 HydrophobicContact CB-CD2 3.83Å; M24-L91 HydrophobicContact CB-CG 4.4Å; M24-L91 HydrophobicContact CG-CD2 4.22Å; M24-F119 HydrophobicContact SD-CE1 3.85Å; M24-I121 HydrophobicContact CE-CD1 3.51Å; M24-I121 HydrophobicContact CE-CG1 4.38Å; M24-I121 HydrophobicContact SD-CD1 3.83Å; M24-I121 HydrophobicContact SD-CG1 4.07Å; M24-L143 HydrophobicContact CE-CD1 3.51Å
25L93.5Very high91.6Very high67 Ų6763.3 Ų63.335%0.35134%0.338SS..Hα-helixtrans-60.9-49.7174.3-68.7-179.5000111.4Y21 L22 L27 F28 K29 L91Y21-L25 HydrophobicContact CD1-CD1 3.93Å; Y21-L25 HydrophobicContact CD1-CG 4.26Å; Y21-L25 HydrophobicContact CE1-CD1 3.73Å; Y21-L25 HydrophobicContact CE1-CG 4.14Å; Y21-L25 PolarHBondContact O-N 2.77Å; Y21-L25 VanDerWaalsContact O-N 3.14Å; L22-L25 PolarHBondContact O-N 2.81Å; L25-L27 VanDerWaalsContact C-N 3.35Å; L25-L27 PolarHBondContact O-N 3.31Å; L25-F28 PolarHBondContact O-N 3.46Å; L25-K29 WeakPolarHBondContact O-CB 3.49Å; L25-K29 PolarHBondContact O-N 3.37Å; L25-L91 HydrophobicContact CD2-CD1 3.79Å; L25-L91 HydrophobicContact CG-CD1 4.41Å
26D95.1Very high92.4Very high96 Ų9665.7 Ų65.751%0.51333%0.332SS..Hα-helixtrans-64.2-39.6-179.8-75.1-21.1000111.8L22 F28 K29 C30L22-D26 PolarHBondContact O-N 3.39Å; D26-F28 PolarHBondContact O-N 2.99Å; D26-K29 PolarHBondContact O-N 2.96Å; D26-C30 PolarHBondContact O-N 3.28Å; D26-C30 PolarHBondContact O-SG 3.44Å; D26-C30 VanDerWaalsContact O-SG 3.35Å
27L95.1Very high92.8Very high28 Ų2866 Ų6615%0.14733%0.334CS..Hα-helixtrans-58-51.1176.2174.264000111.6T23 M24 L25 K29 C30 I31 I121 L123T23-L27 WeakPolarHBondContact O-CB 3.48Å; T23-L27 PolarHBondContact O-N 2.75Å; M24-L27 PolarHBondContact O-N 3.21Å; L25-L27 VanDerWaalsContact C-N 3.35Å; L25-L27 PolarHBondContact O-N 3.31Å; L27-K29 VanDerWaalsContact C-N 3.33Å; L27-C30 PolarHBondContact O-N 3.35Å; L27-I31 HydrophobicContact CD1-CD1 4.12Å; L27-I31 HydrophobicContact CD1-CG1 4.48Å; L27-I31 HydrophobicContact CG-CD1 4.02Å; L27-I31 VanDerWaalsContact O-CG1 3.32Å; L27-I31 WeakPolarHBondContact O-CG1 3.32Å; L27-I31 PolarHBondContact O-N 2.86Å; L27-I121 HydrophobicContact CD2-CG2 3.94Å; L27-L123 HydrophobicContact CD1-CD2 4.37Å
28F95.1Very high93.2Very high20 Ų2065.7 Ų65.79%0.08833%0.327CS..Hα-helixtrans-69.9-32.4-178.5-88-89000112.3M24 L25 D26 I31 D32 T42 S86 I90M24-F28 WeakPolarHBondContact O-CD2 3.44Å; M24-F28 PolarHBondContact O-N 3.35Å; M24-F28 VanDerWaalsContact O-N 3.15Å; L25-F28 PolarHBondContact O-N 3.46Å; D26-F28 PolarHBondContact O-N 2.99Å; F28-I31 PolarHBondContact O-N 3.33Å; F28-D32 PolarHBondContact O-N 3.01Å; F28-T42 HydrophobicContact CZ-CG2 4.25Å; F28-S86 VanDerWaalsContact CE1-C 3.4Å; F28-S86 VanDerWaalsContact CE1-CA 3.47Å; F28-S86 WeakPolarHBondContact CZ-O 3.46Å; F28-I90 HydrophobicContact CD2-CG2 3.88Å; F28-I90 HydrophobicContact CE2-CB 3.94Å; F28-I90 HydrophobicContact CE2-CD1 3.9Å; F28-I90 HydrophobicContact CE2-CG2 3.46Å; F28-I90 VanDerWaalsContact CE2-CG2 3.46Å; F28-I90 HydrophobicContact CZ-CB 4.46Å; F28-I90 HydrophobicContact CZ-CG2 4.29Å
29K96Very high93.4Very high124 Ų12470.4 Ų70.454%0.53935%0.348SS..Hα-helixtrans-60-49.6169.6-177.1-175.6173.2-169.70111.5L25 D26 L27 I31 D32 E33L25-K29 WeakPolarHBondContact O-CB 3.49Å; L25-K29 PolarHBondContact O-N 3.37Å; D26-K29 PolarHBondContact O-N 2.96Å; L27-K29 VanDerWaalsContact C-N 3.33Å; K29-I31 VanDerWaalsContact C-N 3.31Å; K29-I31 PolarHBondContact O-N 2.81Å; K29-D32 PolarHBondContact O-N 2.87Å; K29-D32 VanDerWaalsContact O-N 3.13Å; K29-E33 VanDerWaalsContact CE-OE1 3.23Å; K29-E33 WeakPolarHBondContact CE-OE1 3.37Å; K29-E33 WeakPolarHBondContact O-CG 3.47Å; K29-E33 PolarHBondContact O-N 2.78Å
30C94.8Very high93.7Very high65 Ų6569 Ų6944%0.43934%0.34SS..Hα-helixtrans-63.1-36177.3-70.50000112.6D26 L27 D32 E33 I34D26-C30 PolarHBondContact O-N 3.28Å; D26-C30 PolarHBondContact O-SG 3.44Å; D26-C30 VanDerWaalsContact O-SG 3.35Å; L27-C30 PolarHBondContact O-N 3.35Å; C30-D32 VanDerWaalsContact C-N 3.34Å; C30-E33 PolarHBondContact O-N 2.89Å; C30-I34 WeakPolarHBondContact O-CG1 3.35Å; C30-I34 PolarHBondContact O-N 2.86Å
31I94.8Very high93.9Very high27 Ų2771.6 Ų71.614%0.13836%0.358CS..Hα-helixtrans-62-43.3173.5-71.4166.6000110.6L27 F28 K29 I34 K35 C40 T42 L123L27-I31 HydrophobicContact CD1-CD1 4.12Å; L27-I31 HydrophobicContact CD1-CG1 4.48Å; L27-I31 HydrophobicContact CG-CD1 4.02Å; L27-I31 VanDerWaalsContact O-CG1 3.32Å; L27-I31 WeakPolarHBondContact O-CG1 3.32Å; L27-I31 PolarHBondContact O-N 2.86Å; F28-I31 PolarHBondContact O-N 3.33Å; K29-I31 VanDerWaalsContact C-N 3.31Å; K29-I31 PolarHBondContact O-N 2.81Å; I31-I34 WeakPolarHBondContact O-CG1 3.32Å; I31-I34 PolarHBondContact O-N 3.41Å; I31-K35 PolarHBondContact O-N 3.28Å; I31-C40 HydrophobicContact CG1-CB 4.35Å; I31-C40 HydrophobicContact CG2-CB 3.8Å; I31-T42 HydrophobicContact CD1-CG2 3.79Å; I31-L123 HydrophobicContact CD1-CD1 3.88Å; I31-L123 HydrophobicContact CG1-CD1 4.26Å
32D95.1Very high94.2Very high89 Ų8968.5 Ų68.548%0.47635%0.348SS..Hα-helixtrans-66.1-39.4179.3-161.768.8000112.1F28 K29 C30 I34 K35F28-D32 PolarHBondContact O-N 3.01Å; K29-D32 PolarHBondContact O-N 2.87Å; K29-D32 VanDerWaalsContact O-N 3.13Å; C30-D32 VanDerWaalsContact C-N 3.34Å; D32-I34 VanDerWaalsContact C-N 3.27Å; D32-I34 PolarHBondContact O-N 2.78Å; D32-K35 WeakPolarHBondContact O-CB 3.46Å; D32-K35 WeakPolarHBondContact O-CD 3.26Å; D32-K35 WeakPolarHBondContact O-CG 3.33Å; D32-K35 PolarHBondContact O-N 2.74Å; D32-K35 VanDerWaalsContact OD1-CD 3.26Å; D32-K35 WeakPolarHBondContact OD1-CD 3.17Å; D32-K35 WeakPolarHBondContact OD1-CE 3.46Å; D32-K35 IonicContact OD1-NZ 2.54Å; D32-K35 PolarHBondContact OD1-NZ 2.84Å; D32-K35 IonicContact OD2-NZ 3.24Å; D32-K35 PolarHBondContact OD2-NZ 3.15Å
33E96.3Very high94.4Very high126 Ų12665.4 Ų65.459%0.58934%0.335SS*.Hα-helixtrans-61.2-32.6178.1-73.8170.9176.300113.1K29 C30K29-E33 VanDerWaalsContact CE-OE1 3.23Å; K29-E33 WeakPolarHBondContact CE-OE1 3.37Å; K29-E33 WeakPolarHBondContact O-CG 3.47Å; K29-E33 PolarHBondContact O-N 2.78Å; C30-E33 PolarHBondContact O-N 2.89Å
34I93.8Very high94.6Very high57 Ų5763.7 Ų63.729%0.29232%0.324SS..THydrogen-bonded Turntrans-100.52.3-178.769.8178000113.7C30 I31 D32 E36 E37 K38C30-I34 WeakPolarHBondContact O-CG1 3.35Å; C30-I34 PolarHBondContact O-N 2.86Å; I31-I34 WeakPolarHBondContact O-CG1 3.32Å; I31-I34 PolarHBondContact O-N 3.41Å; D32-I34 VanDerWaalsContact C-N 3.27Å; D32-I34 PolarHBondContact O-N 2.78Å; I34-E36 PolarHBondContact O-N 3.49Å; I34-E36 VanDerWaalsContact O-N 3.15Å; I34-E37 PolarHBondContact O-N 3.38Å; I34-E37 VanDerWaalsContact O-N 3.12Å; I34-K38 HydrophobicContact CB-CG 4.38Å; I34-K38 HydrophobicContact CD1-CB 4.22Å; I34-K38 HydrophobicContact CD1-CG 4.22Å; I34-K38 HydrophobicContact CG1-CB 4.25Å; I34-K38 HydrophobicContact CG1-CG 4.43Å; I34-K38 PolarHBondContact O-N 3.3Å
35K93.1Very high94.7Very high86 Ų8663.8 Ų63.837%0.37432%0.324SS..THydrogen-bonded Turntrans-63.4-24.1-169.277.5-169.9164.9-166.40114.1I31 D32 E37 K38 K128I31-K35 PolarHBondContact O-N 3.28Å; D32-K35 WeakPolarHBondContact O-CB 3.46Å; D32-K35 WeakPolarHBondContact O-CD 3.26Å; D32-K35 WeakPolarHBondContact O-CG 3.33Å; D32-K35 PolarHBondContact O-N 2.74Å; D32-K35 VanDerWaalsContact OD1-CD 3.26Å; D32-K35 WeakPolarHBondContact OD1-CD 3.17Å; D32-K35 WeakPolarHBondContact OD1-CE 3.46Å; D32-K35 IonicContact OD1-NZ 2.54Å; D32-K35 PolarHBondContact OD1-NZ 2.84Å; D32-K35 IonicContact OD2-NZ 3.24Å; D32-K35 PolarHBondContact OD2-NZ 3.15Å; K35-E37 VanDerWaalsContact C-N 3.35Å; K35-K38 CarbonylContact C-O 3.58Å; K35-K38 VanDerWaalsContact O-O 3.11Å; K35-K128 WeakPolarHBondContact O-CE 3.33Å; K35-K128 PolarHBondContact O-NZ 3.23Å
36E93.6Very high94.8Very high149 Ų14960.6 Ų60.670%0.69631%0.308SS*.THydrogen-bonded Turntrans-72.8-31.2178.9-65.1-55.1141.900111.9I34 K128I34-E36 PolarHBondContact O-N 3.49Å; I34-E36 VanDerWaalsContact O-N 3.15Å; E36-K128 WeakPolarHBondContact O-CD 3.3Å
37E91.6Very high94.7Very high133 Ų13356.5 Ų56.562%0.62129%0.286SS*.THydrogen-bonded Turntrans-97.7-34.7-177.4-61.1-179.6-173.100112.5I34 K35 K128I34-E37 PolarHBondContact O-N 3.38Å; I34-E37 VanDerWaalsContact O-N 3.12Å; K35-E37 VanDerWaalsContact C-N 3.35Å; E37-K128 PolarHBondContact O-N 3.39Å
38K92.3Very high94.5Very high45 Ų4555.2 Ų55.220%0.19628%0.279CS..EExtended strand (participates in β ladder)trans-120.4147.5-171.8-53.3-61.9-173.9-179.40111.4I34 K35 Q125 Q126 D127 K128I34-K38 HydrophobicContact CB-CG 4.38Å; I34-K38 HydrophobicContact CD1-CB 4.22Å; I34-K38 HydrophobicContact CD1-CG 4.22Å; I34-K38 HydrophobicContact CG1-CB 4.25Å; I34-K38 HydrophobicContact CG1-CG 4.43Å; I34-K38 PolarHBondContact O-N 3.3Å; K35-K38 CarbonylContact C-O 3.58Å; K35-K38 VanDerWaalsContact O-O 3.11Å; K38-Q125 HydrophobicContact CB-CG 4.05Å; K38-Q125 HydrophobicContact CD-CG 4.47Å; K38-Q125 HydrophobicContact CG-CG 4.27Å; K38-Q126 CarbonylContact C-O 3.57Å; K38-Q126 VanDerWaalsContact CA-O 3.31Å; K38-Q126 WeakPolarHBondContact CA-O 3.36Å; K38-D127 WeakPolarHBondContact CD-OD1 3.46Å; K38-D127 WeakPolarHBondContact CE-OD1 3.48Å; K38-D127 IonicContact NZ-OD1 3.96Å; K38-D127 PolarHBondContact NZ-OD1 3.21Å; K38-D127 IonicContact NZ-OD2 2.69Å; K38-D127 PolarHBondContact NZ-OD2 3.03Å; K38-K128 WeakPolarHBondContact O-CE 3.39Å
39E92.8Very high94.2Very high104 Ų10456.1 Ų56.149%0.48629%0.286SS..EExtended strand (participates in β ladder)trans-102123.1165.5-174.6-179.6-175.100108.9Q125 Q126 K128E39-Q125 CarbonylContact O-C 3.44Å; E39-Q125 WeakPolarHBondContact O-CA 3.02Å; E39-Q126 HydrophobicContact CB-CG 3.92Å; E39-Q126 PolarHBondContact N-O 3.24Å; E39-Q126 PolarHBondContact O-N 2.78Å; E39-Q126 PolarHBondContact OE2-NE2 3.46Å; E39-K128 HydrophobicContact CB-CG 4.16Å
40C94.4Very high93.7Very high34 Ų3452.7 Ų52.723%0.2327%0.27CS..EExtended strand (participates in β ladder)trans-116.4137.4-178.6-66.40000110I31 L123 R124I31-C40 HydrophobicContact CG1-CB 4.35Å; I31-C40 HydrophobicContact CG2-CB 3.8Å; C40-L123 HydrophobicContact CB-CD1 4.1Å; C40-R124 CarbonylContact C-O 3.59Å; C40-R124 VanDerWaalsContact CA-O 3.29Å; C40-R124 WeakPolarHBondContact CA-O 3.18Å
41S94.8Very high93.1Very high54 Ų5455 Ų5538%0.37828%0.278SS..EExtended strand (participates in β ladder)trans-128.8135.716742.30000110.1R124S41-R124 PolarHBondContact N-O 3.16Å; S41-R124 PolarHBondContact O-N 3.29Å
42T96.3Very high92.5Very high14 Ų1461.8 Ų61.89%0.08631%0.309CS..EExtended strand (participates in β ladder)trans-108.6135.3-179.235.50000109.9F28 I31 Q83 P84 Y122 L123F28-T42 HydrophobicContact CZ-CG2 4.25Å; I31-T42 HydrophobicContact CD1-CG2 3.79Å; T42-Q83 WeakPolarHBondContact O-CA 3.19Å; T42-P84 PolarHBondContact OG1-O 3.27Å; T42-Y122 CarbonylContact C-O 3.59Å; T42-Y122 WeakPolarHBondContact CA-O 3.23Å; T42-L123 HydrophobicContact CG2-CD1 3.84Å
43A97Very high92.1Very high20 Ų2061.8 Ų61.817%0.16531%0.307CS..EExtended strand (participates in β ladder)trans-127.6144.8166.400000109.6H82 Q83 Y122A43-H82 CarbonylContact C-O 3.57Å; A43-H82 WeakPolarHBondContact CA-O 3.49Å; A43-Q83 HydrophobicContact CB-CG 4.4Å; A43-Y122 PolarHBondContact N-O 3.49Å; A43-Y122 PolarHBondContact O-N 2.87Å
44V97.1Very high91.8Very high0 Ų056.9 Ų56.90%028%0.284CS..EExtended strand (participates in β ladder)trans-133.9146.6-177.7-56.80000111.6L58 L81 H82 P84 I90 L93 F119 Q120 I121V44-L58 HydrophobicContact CG2-CD1 4.36Å; V44-L81 CarbonylContact O-C 3.58Å; V44-L81 WeakPolarHBondContact O-CA 3.47Å; V44-H82 HydrophobicContact CG2-CB 3.95Å; V44-H82 PolarHBondContact N-O 3.39Å; V44-H82 PolarHBondContact O-N 2.97Å; V44-P84 HydrophobicContact CG1-CG 3.95Å; V44-P84 HydrophobicContact CG2-CG 4.15Å; V44-I90 HydrophobicContact CG1-CD1 3.52Å; V44-I90 HydrophobicContact CG1-CG1 4.04Å; V44-L93 HydrophobicContact CG2-CD1 3.63Å; V44-F119 HydrophobicContact CB-CE2 4.43Å; V44-F119 HydrophobicContact CB-CZ 4.17Å; V44-F119 HydrophobicContact CG1-CZ 4.23Å; V44-Q120 VanDerWaalsContact CA-O 3.24Å; V44-Q120 WeakPolarHBondContact CA-O 3.23Å; V44-I121 HydrophobicContact CG1-CB 4.43Å; V44-I121 HydrophobicContact CG1-CG1 4.04Å; V44-I121 HydrophobicContact CG1-CG2 4.25Å
45S96.1Very high91.7Very high1 Ų158.4 Ų58.41%0.00729%0.286CS..EExtended strand (participates in β ladder)trans-135.3142.8169.257.80000109T80 Q120S45-T80 WeakPolarHBondContact CB-O 3.25Å; S45-Q120 PolarHBondContact N-O 2.69Å; S45-Q120 PolarHBondContact O-N 3.36Å; S45-Q120 PolarHBondContact OG-OE1 2.63Å
46Y95.1Very high91.8Very high0 Ų054.7 Ų54.70%027%0.27CS..EExtended strand (participates in β ladder)trans-129.2124176.5-160.7-177.5000109.9L57 L58 L94 N98 A117 V118 F119Y46-L57 HydrophobicContact CD1-CB 4.04Å; Y46-L57 HydrophobicContact CD1-CD1 4.02Å; Y46-L57 HydrophobicContact CD2-CD1 3.74Å; Y46-L57 HydrophobicContact CE1-CD1 3.96Å; Y46-L57 HydrophobicContact CE2-CD1 3.72Å; Y46-L57 HydrophobicContact CG-CB 3.97Å; Y46-L57 HydrophobicContact CG-CD1 3.89Å; Y46-L57 HydrophobicContact CG-CG 4.48Å; Y46-L57 PolarHBondContact O-N 2.9Å; Y46-L58 HydrophobicContact CD1-CD2 4.28Å; Y46-L94 HydrophobicContact CE1-CD1 4.05Å; Y46-N98 PolarHBondContact OH-OD1 3.46Å; Y46-A117 HydrophobicContact CE2-CB 3.86Å; Y46-V118 WeakPolarHBondContact CD2-O 3.47Å; Y46-F119 AromaticContact CD1-CD2 3.78Å; Y46-F119 HydrophobicContact CD1-CD2 3.78Å; Y46-F119 HydrophobicContact CD1-CE2 4.28Å; Y46-F119 HydrophobicContact CD2-CB 3.86Å; Y46-F119 AromaticContact CD2-CD2 3.81Å; Y46-F119 HydrophobicContact CD2-CD2 3.81Å; Y46-F119 HydrophobicContact CD2-CG 4.35Å; Y46-F119 HydrophobicContact CE1-CD2 4.36Å; Y46-F119 HydrophobicContact CE2-CB 3.89Å; Y46-F119 HydrophobicContact CE2-CD2 4.35Å; Y46-F119 HydrophobicContact CG-CB 4.43Å; Y46-F119 AromaticContact CG-CD2 3.5Å; Y46-F119 HydrophobicContact CG-CD2 3.5Å; Y46-F119 HydrophobicContact CG-CE2 4.26Å; Y46-F119 HydrophobicContact CG-CG 4.45Å
47L93.5Very high91.8Very high11 Ų1147.7 Ų47.76%0.05824%0.237CC..EExtended strand (participates in β ladder)trans-129.5154.1178.367.587.2000112.2V49 I54 R55 V76 L79 V118L47-V49 HydrophobicContact CD1-CG2 3.75Å; L47-I54 HydrophobicContact CB-CG2 4.18Å; L47-I54 HydrophobicContact CD1-CG2 4.24Å; L47-I54 HydrophobicContact CD2-CG2 4.41Å; L47-R55 CarbonylContact C-O 3.57Å; L47-R55 WeakPolarHBondContact CA-O 3.21Å; L47-R55 WeakPolarHBondContact CB-O 3.35Å; L47-V76 HydrophobicContact CD2-CG2 4.29Å; L47-L79 HydrophobicContact CB-CD1 3.93Å; L47-L79 HydrophobicContact CD2-CD1 4.3Å; L47-L79 HydrophobicContact CD2-CD2 3.75Å; L47-V118 HydrophobicContact CD1-CB 3.86Å; L47-V118 HydrophobicContact CD1-CG2 4.02Å; L47-V118 HydrophobicContact CG-CB 4.01Å; L47-V118 PolarHBondContact N-O 2.91Å; L47-V118 VanDerWaalsContact N-O 3.14Å; L47-V118 PolarHBondContact O-N 2.9Å
48E91.4Very high91.9Very high0 Ų042.4 Ų42.40%021%0.214CC..EExtended strand (participates in β ladder)trans-111.2137.1166.9173.4174.7-126.700109.1I54 R55 L57 R101 T102 S115 H116E48-I54 CarbonylContact O-C 3.55Å; E48-I54 WeakPolarHBondContact O-CA 3.14Å; E48-R55 PolarHBondContact N-O 3.33Å; E48-R55 PolarHBondContact O-N 3.35Å; E48-L57 HydrophobicContact CB-CD1 4Å; E48-L57 HydrophobicContact CB-CD2 3.72Å; E48-L57 HydrophobicContact CB-CG 3.95Å; E48-R101 WeakPolarHBondContact OE1-CG 3.46Å; E48-R101 IonicContact OE1-NE 3.4Å; E48-T102 PolarHBondContact OE1-N 3.36Å; E48-T102 WeakPolarHBondContact OE2-CB 3.35Å; E48-T102 PolarHBondContact OE2-N 2.96Å; E48-T102 VanDerWaalsContact OE2-N 3.13Å; E48-T102 PolarHBondContact OE2-OG1 2.97Å; E48-S115 WeakPolarHBondContact OE1-CB 3.37Å; E48-S115 PolarHBondContact OE1-OG 3.39Å; E48-H116 CarbonylContact C-O 3.49Å; E48-H116 VanDerWaalsContact CA-O 3.31Å; E48-H116 WeakPolarHBondContact CA-O 3.37Å
49V89.4Confident91.8Very high39 Ų3942.2 Ų42.224%0.23622%0.216CC..EExtended strand (participates in β ladder)trans-104.5111.7162.9-172.70000107L47 Q53 I54 H116L47-V49 HydrophobicContact CD1-CG2 3.75Å; V49-Q53 WeakPolarHBondContact CA-O 3.24Å; V49-I54 HydrophobicContact CG2-CG1 4.35Å; V49-H116 HydrophobicContact CB-CB 4.34Å; V49-H116 PolarHBondContact N-O 3.43Å; V49-H116 PolarHBondContact O-N 3.38Å
50Y85.4Confident91.2Very high53 Ų5345.8 Ų45.821%0.20824%0.238CC..EExtended strand (participates in β ladder)trans-131.4122179.2178.4-100.7000109.8E52 Q53 R114Y50-E52 VanDerWaalsContact C-N 3.32Å; Y50-E52 PolarHBondContact O-N 2.78Å; Y50-Q53 PolarHBondContact N-O 3.25Å; Y50-Q53 WeakPolarHBondContact O-CB 3.2Å; Y50-Q53 PolarHBondContact O-N 3.42Å; Y50-R114 HydrophobicContact CE2-CB 4.34Å
51N81.3Confident90.3Very high114 Ų11446 Ų4661%0.6124%0.24SC*.THydrogen-bonded Turntrans50.449.5179.9-166.354.8000112.7Q53N51-Q53 PolarHBondContact O-N 2.59Å
52E81.8Confident89.8Confident168 Ų16845.8 Ų45.879%0.78525%0.247SC*.THydrogen-bonded Turntrans60.410.9-176.8-54-56.8121.800115.4Y50Y50-E52 VanDerWaalsContact C-N 3.32Å; Y50-E52 PolarHBondContact O-N 2.78Å
53Q86.4Confident89.5Confident90 Ų9048.9 Ų48.942%0.42127%0.267SS..EExtended strand (participates in β ladder)trans-106.8132.7174.4-61.8-64.3-59.900109.9V49 Y50 N51 P63V49-Q53 WeakPolarHBondContact CA-O 3.24Å; Y50-Q53 PolarHBondContact N-O 3.25Å; Y50-Q53 WeakPolarHBondContact O-CB 3.2Å; Y50-Q53 PolarHBondContact O-N 3.42Å; N51-Q53 PolarHBondContact O-N 2.59Å; Q53-P63 VanDerWaalsContact OE1-CB 3.25Å
54I91.3Very high89.3Confident22 Ų2249 Ų4911%0.11327%0.265CS..EExtended strand (participates in β ladder)trans-91.8135.6174.5-55.7-172.9000108.8L47 E48 V49 P63 L64 V66 V76L47-I54 HydrophobicContact CB-CG2 4.18Å; L47-I54 HydrophobicContact CD1-CG2 4.24Å; L47-I54 HydrophobicContact CD2-CG2 4.41Å; E48-I54 CarbonylContact O-C 3.55Å; E48-I54 WeakPolarHBondContact O-CA 3.14Å; V49-I54 HydrophobicContact CG2-CG1 4.35Å; I54-P63 CarbonylContact O-C 3.55Å; I54-P63 WeakPolarHBondContact O-CA 3.23Å; I54-L64 HydrophobicContact CB-CB 4.3Å; I54-L64 HydrophobicContact CG2-CB 4.24Å; I54-L64 HydrophobicContact CG2-CD1 4.5Å; I54-L64 PolarHBondContact O-N 3.14Å; I54-V66 HydrophobicContact CD1-CG2 3.26Å; I54-V66 HydrophobicContact CG1-CG2 4.35Å; I54-V76 HydrophobicContact CD1-CG1 4.47Å; I54-V76 HydrophobicContact CD1-CG2 3.94Å; I54-V76 HydrophobicContact CG2-CG1 3.84Å
55R92Very high88.9Confident90 Ų9051.5 Ų51.534%0.3429%0.285SS..EExtended strand (participates in β ladder)trans-130141.7174.4-65.3-179.6178.9173.4-2.1110L47 E48 T102L47-R55 CarbonylContact C-O 3.57Å; L47-R55 WeakPolarHBondContact CA-O 3.21Å; L47-R55 WeakPolarHBondContact CB-O 3.35Å; E48-R55 PolarHBondContact N-O 3.33Å; E48-R55 PolarHBondContact O-N 3.35Å; R55-T102 PolarHBondContact NH1-OG1 2.89Å
56D94.1Very high88.4Confident7 Ų755.4 Ų55.44%0.03731%0.309CS..EExtended strand (participates in β ladder)trans-72.8131.4165.8-159.7-46.1000109.2L58 T59 S61 L64 L79 T80D56-L58 WeakPolarHBondContact OD1-CA 3.37Å; D56-L58 PolarHBondContact OD1-N 2.94Å; D56-T59 VanDerWaalsContact O-O 3.11Å; D56-T59 PolarHBondContact OD1-N 2.95Å; D56-T59 PolarHBondContact OD2-OG1 2.89Å; D56-S61 VanDerWaalsContact CB-OG 3.23Å; D56-S61 WeakPolarHBondContact CB-OG 3.22Å; D56-L64 HydrophobicContact CB-CD1 4.05Å; D56-L79 HydrophobicContact CB-CD1 4.45Å; D56-T80 VanDerWaalsContact CG-OG1 3.32Å; D56-T80 PolarHBondContact OD1-OG1 3.3Å; D56-T80 VanDerWaalsContact OD2-CB 3.25Å; D56-T80 WeakPolarHBondContact OD2-CB 3.38Å; D56-T80 VanDerWaalsContact OD2-CG2 3.31Å; D56-T80 WeakPolarHBondContact OD2-CG2 3.38Å; D56-T80 PolarHBondContact OD2-N 3.4Å; D56-T80 PolarHBondContact OD2-OG1 2.96Å
57L93.6Very high88.1Confident2 Ų262 Ų621%0.0133%0.334CS..SBendtrans-92.9-15.4176.7-66.6-177.5000112.9Y46 E48 G97 N100 R101Y46-L57 HydrophobicContact CD1-CB 4.04Å; Y46-L57 HydrophobicContact CD1-CD1 4.02Å; Y46-L57 HydrophobicContact CD2-CD1 3.74Å; Y46-L57 HydrophobicContact CE1-CD1 3.96Å; Y46-L57 HydrophobicContact CE2-CD1 3.72Å; Y46-L57 HydrophobicContact CG-CB 3.97Å; Y46-L57 HydrophobicContact CG-CD1 3.89Å; Y46-L57 HydrophobicContact CG-CG 4.48Å; Y46-L57 PolarHBondContact O-N 2.9Å; E48-L57 HydrophobicContact CB-CD1 4Å; E48-L57 HydrophobicContact CB-CD2 3.72Å; E48-L57 HydrophobicContact CB-CG 3.95Å; L57-G97 WeakPolarHBondContact O-CA 3.47Å; L57-N100 WeakPolarHBondContact O-CB 3.49Å; L57-N100 PolarHBondContact O-ND2 3.05Å; L57-R101 HydrophobicContact CD1-CB 4.26Å; L57-R101 HydrophobicContact CD1-CG 4.46Å; L57-R101 HydrophobicContact CD2-CB 4.16Å
58L94.2Very high87.6Confident23 Ų2370 Ų7012%0.1237%0.371CS..SBendtrans-93.4-18.4180-56.5-177.8000112.6V44 Y46 D56 H82 L93V44-L58 HydrophobicContact CG2-CD1 4.36Å; Y46-L58 HydrophobicContact CD1-CD2 4.28Å; D56-L58 WeakPolarHBondContact OD1-CA 3.37Å; D56-L58 PolarHBondContact OD1-N 2.94Å; L58-H82 VanDerWaalsContact CD1-CD2 3.47Å; L58-H82 WeakPolarHBondContact CD1-CD2 3.36Å; L58-L93 HydrophobicContact CD1-CD2 4.42Å; L58-L93 HydrophobicContact CD2-CB 4.08Å; L58-L93 HydrophobicContact CD2-CD2 4.28Å; L58-L93 WeakPolarHBondContact CD2-O 3.44Å
59T90.1Very high87.3Confident41 Ų4172.9 Ų72.925%0.25239%0.386SS..SBendtrans-130.6144.7175.467.50000111.6D56 S61 T80D56-T59 VanDerWaalsContact O-O 3.11Å; D56-T59 PolarHBondContact OD1-N 2.95Å; D56-T59 PolarHBondContact OD2-OG1 2.89Å; T59-S61 PolarHBondContact O-N 2.77Å; T59-T80 HydrophobicContact CG2-CG2 3.61Å
60N80.4Confident86.9Confident178 Ų17877 Ų7795%0.95242%0.417SS*.  trans-76.379.1173.5-170.127000109.4
61S76.1Confident86.5Confident39 Ų3983 Ų8327%0.27345%0.447SS..  trans-110.7154.3176.460.20000110.3D56 T59D56-S61 VanDerWaalsContact CB-OG 3.23Å; D56-S61 WeakPolarHBondContact CB-OG 3.22Å; T59-S61 PolarHBondContact O-N 2.77Å
62G84.4Confident86.1Confident49 Ų4985.3 Ų85.351%0.50545%0.451SS..  trans-66.8-177.6170.700000111.9L64G62-L64 PolarHBondContact O-N 2.87Å
63P88.8Confident86Confident79 Ų7979.1 Ų79.151%0.51343%0.433SS..PPolyproline II helixtrans-54.4135.1175.6-22.532.6000112.3Q53 I54Q53-P63 VanDerWaalsContact OE1-CB 3.25Å; I54-P63 CarbonylContact O-C 3.55Å; I54-P63 WeakPolarHBondContact O-CA 3.23Å
64L92.3Very high85.7Confident24 Ų2479.7 Ų79.713%0.12644%0.442CS..BIsolated β-bridgetrans-95.7142.8-179.3-58.2-176000111I54 D56 G62 V76 L79I54-L64 HydrophobicContact CB-CB 4.3Å; I54-L64 HydrophobicContact CG2-CB 4.24Å; I54-L64 HydrophobicContact CG2-CD1 4.5Å; I54-L64 PolarHBondContact O-N 3.14Å; D56-L64 HydrophobicContact CB-CD1 4.05Å; G62-L64 PolarHBondContact O-N 2.87Å; L64-V76 HydrophobicContact CB-CG1 3.61Å; L64-V76 HydrophobicContact CD1-CG1 3.7Å; L64-V76 HydrophobicContact CG-CG1 4.34Å; L64-L79 HydrophobicContact CD1-CB 4.03Å; L64-L79 HydrophobicContact CD1-CD1 4.15Å
65A88.8Confident85.4Confident52 Ų5280.9 Ų80.943%0.4345%0.451SS..EExtended strand (participates in β ladder)trans-91.5138.5178.500000111.6Q77A65-Q77 PolarHBondContact O-N 3.17Å
66V87.1Confident85.3Confident83 Ų8378.3 Ų78.350%0.50345%0.445SS..EExtended strand (participates in β ladder)trans-82.7136.3169.2-178.20000109.4I54 V74I54-V66 HydrophobicContact CD1-CG2 3.26Å; I54-V66 HydrophobicContact CG1-CG2 4.35Å; V66-V74 HydrophobicContact CG1-CG1 3.21Å
67R86.9Confident85Confident138 Ų13882.4 Ų82.452%0.52146%0.463SS..EExtended strand (participates in β ladder)trans-134.2156.9176.3-64-168.3178.8-155.5-0.3110.8V74 V75 Q77R67-V74 CarbonylContact O-C 3.5Å; R67-V74 WeakPolarHBondContact O-CA 3.39Å; R67-V75 HydrophobicContact CB-CG2 4.16Å; R67-V75 PolarHBondContact N-O 2.96Å; R67-V75 PolarHBondContact O-N 2.84Å; R67-V75 VanDerWaalsContact O-O 3.12Å; R67-Q77 HydrophobicContact CG-CB 4.3Å; R67-Q77 VanDerWaalsContact NE-CD 3.28Å
68E84.3Confident84.9Confident179 Ų17984.8 Ų84.884%0.83649%0.489SS*.EExtended strand (participates in β ladder)trans-93.3129.1168.5-67.6-178.7-177.700109.8
69D85.8Confident84.8Confident60 Ų6085.2 Ų85.232%0.32149%0.491SS..EExtended strand (participates in β ladder)trans-107.7130.7170-179.3-78.2000108.9Q71 K72 G73 V75D69-Q71 PolarHBondContact O-N 3.5Å; D69-Q71 VanDerWaalsContact O-N 3.1Å; D69-Q71 WeakPolarHBondContact OD1-CA 3.31Å; D69-Q71 PolarHBondContact OD1-N 2.97Å; D69-K72 HydrophobicContact CB-CB 4.09Å; D69-K72 PolarHBondContact O-N 2.89Å; D69-K72 PolarHBondContact OD1-N 3.02Å; D69-G73 WeakPolarHBondContact CB-O 3.35Å; D69-G73 PolarHBondContact N-O 2.91Å; D69-G73 WeakPolarHBondContact O-CA 3.23Å; D69-G73 PolarHBondContact O-N 3.43Å; D69-V75 HydrophobicContact CB-CG1 3.89Å; D69-V75 HydrophobicContact CB-CG2 3.99Å
70S79.3Confident85.1Confident127 Ų12785 Ų8589%0.88849%0.49SS*.THydrogen-bonded Turntrans-61.9-20.3-174.950.80000114.7
71Q78.3Confident85.8Confident178 Ų17881.8 Ų81.883%0.83247%0.472SS*.THydrogen-bonded Turntrans-110.5-32.2-179.2-64.5-174.3-400112.6D69D69-Q71 PolarHBondContact O-N 3.5Å; D69-Q71 VanDerWaalsContact O-N 3.1Å; D69-Q71 WeakPolarHBondContact OD1-CA 3.31Å; D69-Q71 PolarHBondContact OD1-N 2.97Å
72K71.9Confident86.8Confident162 Ų16282.6 Ų82.670%0.70447%0.471SS*.THydrogen-bonded Turntrans-104.6-4.7-172.9-60.5177-177.2174.20113.5D69 V75D69-K72 HydrophobicContact CB-CB 4.09Å; D69-K72 PolarHBondContact O-N 2.89Å; D69-K72 PolarHBondContact OD1-N 3.02Å; K72-V75 HydrophobicContact CB-CG1 3.97Å
73G80.8Confident87.4Confident38 Ų3887.4 Ų87.439%0.39248%0.481SS..EExtended strand (participates in β ladder)trans71.9-142.6-174.800000111.3D69 V75D69-G73 WeakPolarHBondContact CB-O 3.35Å; D69-G73 PolarHBondContact N-O 2.91Å; D69-G73 WeakPolarHBondContact O-CA 3.23Å; D69-G73 PolarHBondContact O-N 3.43Å; G73-V75 PolarHBondContact O-N 3.33Å
74V78.4Confident87.7Confident103 Ų10383.9 Ų83.962%0.62446%0.457SS*.EExtended strand (participates in β ladder)trans-71.4122.5-177.4-1780000111V66 R67V66-V74 HydrophobicContact CG1-CG1 3.21Å; R67-V74 CarbonylContact O-C 3.5Å; R67-V74 WeakPolarHBondContact O-CA 3.39Å
75V85.8Confident87.7Confident47 Ų4791.2 Ų91.229%0.28549%0.488SS..EExtended strand (participates in β ladder)trans-123.1147.3179.6-62.60000111.3R67 D69 K72 G73R67-V75 HydrophobicContact CB-CG2 4.16Å; R67-V75 PolarHBondContact N-O 2.96Å; R67-V75 PolarHBondContact O-N 2.84Å; R67-V75 VanDerWaalsContact O-O 3.12Å; D69-V75 HydrophobicContact CB-CG1 3.89Å; D69-V75 HydrophobicContact CB-CG2 3.99Å; K72-V75 HydrophobicContact CB-CG1 3.97Å; G73-V75 PolarHBondContact O-N 3.33Å
76V89.7Confident88Confident35 Ų3590.1 Ų90.121%0.21248%0.478CS..EExtended strand (participates in β ladder)trans-95.4111.6174.1-178.60000107.8L47 I54 L64 G78 L79L47-V76 HydrophobicContact CD2-CG2 4.29Å; I54-V76 HydrophobicContact CD1-CG1 4.47Å; I54-V76 HydrophobicContact CD1-CG2 3.94Å; I54-V76 HydrophobicContact CG2-CG1 3.84Å; L64-V76 HydrophobicContact CB-CG1 3.61Å; L64-V76 HydrophobicContact CD1-CG1 3.7Å; L64-V76 HydrophobicContact CG-CG1 4.34Å; V76-G78 PolarHBondContact O-N 3.48Å; V76-L79 HydrophobicContact CB-CB 3.92Å; V76-L79 HydrophobicContact CB-CD2 4.2Å; V76-L79 HydrophobicContact CG1-CB 3.88Å; V76-L79 PolarHBondContact O-N 3.06Å
77Q89Confident88.2Confident93 Ų9387.3 Ų87.344%0.43546%0.461SS..EExtended strand (participates in β ladder)trans-71.3129.3-178.9-169.3-167.421.500110.3A65 R67 L79A65-Q77 PolarHBondContact O-N 3.17Å; R67-Q77 HydrophobicContact CG-CB 4.3Å; R67-Q77 VanDerWaalsContact NE-CD 3.28Å; Q77-L79 VanDerWaalsContact C-N 3.29Å
78G89.6Confident88.6Confident52 Ų5285.9 Ų85.954%0.53646%0.461SS..THydrogen-bonded Turntrans84.9-0.917900000114.1V76 T80V76-G78 PolarHBondContact O-N 3.48Å; G78-T80 PolarHBondContact O-N 3.33Å
79L93.8Very high89.1Confident33 Ų3381.1 Ų81.117%0.17344%0.439CS..  trans-64.4124.7170.6-178.165.6000109.6L47 D56 L64 V76 Q77L47-L79 HydrophobicContact CB-CD1 3.93Å; L47-L79 HydrophobicContact CD2-CD1 4.3Å; L47-L79 HydrophobicContact CD2-CD2 3.75Å; D56-L79 HydrophobicContact CB-CD1 4.45Å; L64-L79 HydrophobicContact CD1-CB 4.03Å; L64-L79 HydrophobicContact CD1-CD1 4.15Å; V76-L79 HydrophobicContact CB-CB 3.92Å; V76-L79 HydrophobicContact CB-CD2 4.2Å; V76-L79 HydrophobicContact CG1-CB 3.88Å; V76-L79 PolarHBondContact O-N 3.06Å; Q77-L79 VanDerWaalsContact C-N 3.29Å
80T94.9Very high89.6Confident36 Ų3678.3 Ų78.322%0.22142%0.423CS..  trans-79.4147.9-175.962.10000112.2S45 D56 T59 G78 H82S45-T80 WeakPolarHBondContact CB-O 3.25Å; D56-T80 VanDerWaalsContact CG-OG1 3.32Å; D56-T80 PolarHBondContact OD1-OG1 3.3Å; D56-T80 VanDerWaalsContact OD2-CB 3.25Å; D56-T80 WeakPolarHBondContact OD2-CB 3.38Å; D56-T80 VanDerWaalsContact OD2-CG2 3.31Å; D56-T80 WeakPolarHBondContact OD2-CG2 3.38Å; D56-T80 PolarHBondContact OD2-N 3.4Å; D56-T80 PolarHBondContact OD2-OG1 2.96Å; T59-T80 HydrophobicContact CG2-CG2 3.61Å; G78-T80 PolarHBondContact O-N 3.33Å; T80-H82 PolarHBondContact OG1-NE2 2.65Å
81L95.2Very high90.2Very high110 Ų11072.7 Ų72.758%0.57638%0.384SS*.  trans-119.1116.6173.8-74.4169000108.5V44 Y122V44-L81 CarbonylContact O-C 3.58Å; V44-L81 WeakPolarHBondContact O-CA 3.47Å; L81-Y122 HydrophobicContact CD2-CD2 3.96Å; L81-Y122 HydrophobicContact CD2-CE2 3.81Å
82H97.1Very high91Very high57 Ų5769.8 Ų69.826%0.26437%0.37SS..BIsolated β-bridgetrans-100.3146.1176.3-67.1-104.3000109.6A43 V44 L58 T80 P84 L93A43-H82 CarbonylContact C-O 3.57Å; A43-H82 WeakPolarHBondContact CA-O 3.49Å; V44-H82 HydrophobicContact CG2-CB 3.95Å; V44-H82 PolarHBondContact N-O 3.39Å; V44-H82 PolarHBondContact O-N 2.97Å; L58-H82 VanDerWaalsContact CD1-CD2 3.47Å; L58-H82 WeakPolarHBondContact CD1-CD2 3.36Å; T80-H82 PolarHBondContact OG1-NE2 2.65Å; H82-P84 VanDerWaalsContact C-CD 3.47Å; H82-P84 WeakPolarHBondContact O-CD 3.48Å; H82-L93 HydrophobicContact CB-CD1 3.74Å; H82-L93 HydrophobicContact CB-CD2 4.36Å
83Q97.1Very high92.1Very high150 Ų15063.5 Ų63.570%0.70134%0.344SS*.  trans-113.277.6-178.4-66.8179.58.500110.4T42 A43T42-Q83 WeakPolarHBondContact O-CA 3.19Å; A43-Q83 HydrophobicContact CB-CG 4.4Å
84P96.1Very high92.6Very high4 Ų461.9 Ų61.93%0.02633%0.326CS..  trans-64.9141.2177.128.4-33.7000109.6T42 V44 H82 E89 I90 L93T42-P84 PolarHBondContact OG1-O 3.27Å; V44-P84 HydrophobicContact CG1-CG 3.95Å; V44-P84 HydrophobicContact CG2-CG 4.15Å; H82-P84 VanDerWaalsContact C-CD 3.47Å; H82-P84 WeakPolarHBondContact O-CD 3.48Å; P84-E89 WeakPolarHBondContact CA-OE2 3.37Å; P84-E89 HydrophobicContact CB-CB 3.82Å; P84-I90 HydrophobicContact CB-CB 3.89Å; P84-I90 HydrophobicContact CG-CB 3.9Å; P84-I90 HydrophobicContact CG-CD1 4.18Å; P84-I90 HydrophobicContact CG-CG1 4.12Å; P84-L93 HydrophobicContact CB-CD1 4.2Å; P84-L93 HydrophobicContact CG-CD1 4.33Å
85K92.7Very high93.1Very high178 Ų17860.5 Ų60.577%0.77432%0.315SS*.  trans-104.6-8.5-179.5-63.5-178.2-179177.40113.3E89K85-E89 PolarHBondContact N-OE2 3.38Å
86S93.6Very high93.4Very high30 Ų3062 Ų6221%0.2132%0.321CS..SBendtrans-145.8167.2178.682.30000112.5F28 E88 E89 I90F28-S86 VanDerWaalsContact CE1-C 3.4Å; F28-S86 VanDerWaalsContact CE1-CA 3.47Å; F28-S86 WeakPolarHBondContact CZ-O 3.46Å; S86-E88 WeakPolarHBondContact CB-OE2 3.11Å; S86-E88 PolarHBondContact O-N 3.09Å; S86-E88 PolarHBondContact OG-N 2.93Å; S86-E88 PolarHBondContact OG-OE2 2.89Å; S86-E89 PolarHBondContact O-N 2.88Å; S86-E89 PolarHBondContact OG-N 3.25Å; S86-I90 PolarHBondContact O-N 3.35Å; S86-I90 VanDerWaalsContact O-N 3.17Å
87S93.1Very high93.4Very high23 Ų2360.3 Ų60.316%0.16131%0.311CS..Hα-helixtrans-54.6-41.3170.730.80000111.5I90 L91S87-I90 WeakPolarHBondContact O-CG2 3.32Å; S87-I90 PolarHBondContact O-N 3.15Å; S87-L91 VanDerWaalsContact O-CB 3.29Å; S87-L91 WeakPolarHBondContact O-CB 3.38Å; S87-L91 WeakPolarHBondContact O-CD1 3.4Å; S87-L91 WeakPolarHBondContact O-CG 3.31Å; S87-L91 PolarHBondContact O-N 3.44Å
88E93.9Very high93.2Very high108 Ų10856.9 Ų56.951%0.50530%0.296SS..Hα-helixtrans-66.1-43.3-177.7-57.867.3-136.300110.8S86 L91 Q92S86-E88 WeakPolarHBondContact CB-OE2 3.11Å; S86-E88 PolarHBondContact O-N 3.09Å; S86-E88 PolarHBondContact OG-N 2.93Å; S86-E88 PolarHBondContact OG-OE2 2.89Å; E88-L91 PolarHBondContact O-N 3.26Å; E88-Q92 WeakPolarHBondContact O-CB 3.44Å; E88-Q92 VanDerWaalsContact O-CG 3.23Å; E88-Q92 WeakPolarHBondContact O-CG 3.41Å; E88-Q92 PolarHBondContact O-N 3.14Å
89E95.8Very high93Very high80 Ų8061.5 Ų61.537%0.37430%0.302SS..Hα-helixtrans-64.9-43.7179-70.6-177.7-168.100112.1P84 K85 S86 L91 Q92 L93P84-E89 WeakPolarHBondContact CA-OE2 3.37Å; P84-E89 HydrophobicContact CB-CB 3.82Å; K85-E89 PolarHBondContact N-OE2 3.38Å; S86-E89 PolarHBondContact O-N 2.88Å; S86-E89 PolarHBondContact OG-N 3.25Å; E89-L91 VanDerWaalsContact C-N 3.34Å; E89-L91 PolarHBondContact O-N 3.06Å; E89-Q92 PolarHBondContact O-N 2.88Å; E89-L93 WeakPolarHBondContact O-CG 3.34Å; E89-L93 PolarHBondContact O-N 3.47Å
90I94.8Very high92.6Very high0 Ų064.4 Ų64.40%032%0.317CS..Hα-helixtrans-67.6-36.5178.9-167.2164000111.9M24 F28 V44 P84 S86 S87 L93 L94 F119 I121M24-I90 HydrophobicContact CB-CG2 3.95Å; M24-I90 HydrophobicContact CG-CD1 4.23Å; M24-I90 HydrophobicContact CG-CG1 4.24Å; M24-I90 HydrophobicContact CG-CG2 4.16Å; M24-I90 HydrophobicContact SD-CD1 3.38Å; M24-I90 WeakPolarHBondContact SD-CD1 3.45Å; M24-I90 HydrophobicContact SD-CG1 3.97Å; F28-I90 HydrophobicContact CD2-CG2 3.88Å; F28-I90 HydrophobicContact CE2-CB 3.94Å; F28-I90 HydrophobicContact CE2-CD1 3.9Å; F28-I90 HydrophobicContact CE2-CG2 3.46Å; F28-I90 VanDerWaalsContact CE2-CG2 3.46Å; F28-I90 HydrophobicContact CZ-CB 4.46Å; F28-I90 HydrophobicContact CZ-CG2 4.29Å; V44-I90 HydrophobicContact CG1-CD1 3.52Å; V44-I90 HydrophobicContact CG1-CG1 4.04Å; P84-I90 HydrophobicContact CB-CB 3.89Å; P84-I90 HydrophobicContact CG-CB 3.9Å; P84-I90 HydrophobicContact CG-CD1 4.18Å; P84-I90 HydrophobicContact CG-CG1 4.12Å; S86-I90 PolarHBondContact O-N 3.35Å; S86-I90 VanDerWaalsContact O-N 3.17Å; S87-I90 WeakPolarHBondContact O-CG2 3.32Å; S87-I90 PolarHBondContact O-N 3.15Å; I90-L93 PolarHBondContact O-N 3.08Å; I90-L94 PolarHBondContact O-N 3.42Å; I90-F119 HydrophobicContact CD1-CE1 4.32Å; I90-F119 HydrophobicContact CD1-CZ 4.33Å; I90-F119 HydrophobicContact CG1-CE1 4.29Å; I90-F119 HydrophobicContact CG1-CZ 3.93Å; I90-I121 HydrophobicContact CD1-CG1 4.27Å
91L92.7Very high92.1Very high10 Ų1064 Ų645%0.05231%0.311CS..Hα-helixtrans-68.8-38.5177.1-70.9173.3000111.3Y21 M24 L25 S87 E88 E89 L93 L94 D95Y21-L91 HydrophobicContact CD1-CD2 4.31Å; Y21-L91 HydrophobicContact CD2-CD1 4.36Å; Y21-L91 HydrophobicContact CD2-CD2 3.35Å; Y21-L91 HydrophobicContact CD2-CG 4.33Å; Y21-L91 HydrophobicContact CE1-CD1 4.02Å; Y21-L91 HydrophobicContact CE1-CD2 4.46Å; Y21-L91 HydrophobicContact CE2-CB 4.25Å; Y21-L91 HydrophobicContact CE2-CD1 3.7Å; Y21-L91 HydrophobicContact CE2-CD2 3.51Å; Y21-L91 HydrophobicContact CE2-CG 4Å; Y21-L91 HydrophobicContact CG-CD2 3.77Å; Y21-L91 VanDerWaalsContact CZ-CD1 3.5Å; M24-L91 HydrophobicContact CB-CD2 3.83Å; M24-L91 HydrophobicContact CB-CG 4.4Å; M24-L91 HydrophobicContact CG-CD2 4.22Å; L25-L91 HydrophobicContact CD2-CD1 3.79Å; L25-L91 HydrophobicContact CG-CD1 4.41Å; S87-L91 VanDerWaalsContact O-CB 3.29Å; S87-L91 WeakPolarHBondContact O-CB 3.38Å; S87-L91 WeakPolarHBondContact O-CD1 3.4Å; S87-L91 WeakPolarHBondContact O-CG 3.31Å; S87-L91 PolarHBondContact O-N 3.44Å; E88-L91 PolarHBondContact O-N 3.26Å; E89-L91 VanDerWaalsContact C-N 3.34Å; E89-L91 PolarHBondContact O-N 3.06Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 2.87Å; L91-L94 HydrophobicContact CD2-CD2 4.43Å; L91-L94 WeakPolarHBondContact O-CB 3.5Å; L91-L94 PolarHBondContact O-N 3.24Å; L91-D95 PolarHBondContact O-N 2.8Å
92Q94.1Very high90.8Very high117 Ų11759.6 Ų59.655%0.54729%0.289SS..Hα-helixtrans-61.5-41.3171.9-75.7172.75.600112.2E88 E89 D95 N96E88-Q92 WeakPolarHBondContact O-CB 3.44Å; E88-Q92 VanDerWaalsContact O-CG 3.23Å; E88-Q92 WeakPolarHBondContact O-CG 3.41Å; E88-Q92 PolarHBondContact O-N 3.14Å; E89-Q92 PolarHBondContact O-N 2.88Å; Q92-D95 PolarHBondContact O-N 2.5Å; Q92-N96 VanDerWaalsContact O-CB 3.3Å; Q92-N96 WeakPolarHBondContact O-CB 3.4Å; Q92-N96 PolarHBondContact O-N 3.13Å; Q92-N96 PolarHBondContact O-ND2 3.3Å
93L95.1Very high88.7Confident29 Ų2963.8 Ų63.815%0.15231%0.309CS..Hα-helixtrans-63.3-42.4174.9-70169.3000111.4V44 L58 H82 P84 E89 I90 L91 N96 G97V44-L93 HydrophobicContact CG2-CD1 3.63Å; L58-L93 HydrophobicContact CD1-CD2 4.42Å; L58-L93 HydrophobicContact CD2-CB 4.08Å; L58-L93 HydrophobicContact CD2-CD2 4.28Å; L58-L93 WeakPolarHBondContact CD2-O 3.44Å; H82-L93 HydrophobicContact CB-CD1 3.74Å; H82-L93 HydrophobicContact CB-CD2 4.36Å; P84-L93 HydrophobicContact CB-CD1 4.2Å; P84-L93 HydrophobicContact CG-CD1 4.33Å; E89-L93 WeakPolarHBondContact O-CG 3.34Å; E89-L93 PolarHBondContact O-N 3.47Å; I90-L93 PolarHBondContact O-N 3.08Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 2.87Å; L93-N96 PolarHBondContact O-N 2.86Å; L93-G97 PolarHBondContact O-N 2.9Å
94L91.4Very high86.2Confident4 Ų461.4 Ų61.42%0.02130%0.298CS..Hα-helixtrans-59.4-49.4175.2-179.563.2000111.2L11 M20 Y46 I90 L91 N96 G97 N98 F119L11-L94 HydrophobicContact CD2-CD1 4.38Å; M20-L94 HydrophobicContact CB-CD2 4Å; M20-L94 HydrophobicContact SD-CD1 3.97Å; Y46-L94 HydrophobicContact CE1-CD1 4.05Å; I90-L94 PolarHBondContact O-N 3.42Å; L91-L94 HydrophobicContact CD2-CD2 4.43Å; L91-L94 WeakPolarHBondContact O-CB 3.5Å; L91-L94 PolarHBondContact O-N 3.24Å; L94-N96 PolarHBondContact O-N 2.66Å; L94-G97 PolarHBondContact O-N 3.42Å; L94-N98 WeakPolarHBondContact O-CB 3.15Å; L94-N98 PolarHBondContact O-N 3.37Å; L94-N98 PolarHBondContact O-ND2 3.13Å; L94-N98 VanDerWaalsContact O-ND2 3.14Å; L94-F119 HydrophobicContact CD1-CD2 4.31Å; L94-F119 HydrophobicContact CD1-CE2 4.5Å; L94-F119 HydrophobicContact CD1-CG 4.34Å
95D90.1Very high83.5Confident74 Ų7467.5 Ų67.540%0.39634%0.337SS..Hα-helixtrans-62.2-43.8178.8-77.9-14.5000112.5L91 Q92 N98 K99L91-D95 PolarHBondContact O-N 2.8Å; Q92-D95 PolarHBondContact O-N 2.5Å; D95-N98 PolarHBondContact O-N 3.34Å; D95-K99 WeakPolarHBondContact O-CG 3.29Å; D95-K99 PolarHBondContact O-N 2.91Å; D95-K99 VanDerWaalsContact O-N 3.1Å
96N90.8Very high81Confident78 Ų7863.7 Ų63.742%0.41733%0.329SS..Hα-helixtrans-64.2-43.9177.6-71.3-21.7000111.2Q92 L93 L94 N98 K99 N100Q92-N96 VanDerWaalsContact O-CB 3.3Å; Q92-N96 WeakPolarHBondContact O-CB 3.4Å; Q92-N96 PolarHBondContact O-N 3.13Å; Q92-N96 PolarHBondContact O-ND2 3.3Å; L93-N96 PolarHBondContact O-N 2.86Å; L94-N96 PolarHBondContact O-N 2.66Å; N96-N98 VanDerWaalsContact C-N 3.34Å; N96-N98 PolarHBondContact O-N 3.42Å; N96-K99 PolarHBondContact O-N 2.99Å; N96-N100 VanDerWaalsContact O-CG 3.31Å; N96-N100 PolarHBondContact O-N 3.5Å; N96-N100 PolarHBondContact O-ND2 3.43Å
97G90.2Very high78.5Confident0 Ų068.5 Ų68.50%035%0.352CS..Hα-helixtrans-63.8-37.8176.100000113.3L57 L93 L94 K99 N100 R101L57-G97 WeakPolarHBondContact O-CA 3.47Å; L93-G97 PolarHBondContact O-N 2.9Å; L94-G97 PolarHBondContact O-N 3.42Å; G97-K99 VanDerWaalsContact C-N 3.3Å; G97-K99 PolarHBondContact O-N 2.7Å; G97-N100 PolarHBondContact O-N 3.14Å; G97-R101 PolarHBondContact O-N 2.93Å
98N85.5Confident76.1Confident22 Ų2274.5 Ų74.512%0.11839%0.388CS..Hα-helixtrans-64.8-33.5175.4-71.2-28.6000113L11 Y46 L94 D95 N96 Q103L11-N98 VanDerWaalsContact CD2-ND2 3.33Å; L11-N98 WeakPolarHBondContact CD2-ND2 3.08Å; Y46-N98 PolarHBondContact OH-OD1 3.46Å; L94-N98 WeakPolarHBondContact O-CB 3.15Å; L94-N98 PolarHBondContact O-N 3.37Å; L94-N98 PolarHBondContact O-ND2 3.13Å; L94-N98 VanDerWaalsContact O-ND2 3.14Å; D95-N98 PolarHBondContact O-N 3.34Å; N96-N98 VanDerWaalsContact C-N 3.34Å; N96-N98 PolarHBondContact O-N 3.42Å; N98-Q103 PolarHBondContact O-NE2 3.47Å
99K85.2Confident73.6Confident149 Ų14975.1 Ų75.165%0.64839%0.394SS*.Hα-helixtrans-71.4-35.9173.4-69.1167.6-171.9165.90112.3D95 N96 G97D95-K99 WeakPolarHBondContact O-CG 3.29Å; D95-K99 PolarHBondContact O-N 2.91Å; D95-K99 VanDerWaalsContact O-N 3.1Å; N96-K99 PolarHBondContact O-N 2.99Å; G97-K99 VanDerWaalsContact C-N 3.3Å; G97-K99 PolarHBondContact O-N 2.7Å
100N86.3Confident71.1Confident93 Ų9373.7 Ų73.750%0.49740%0.396SS..Hα-helixtrans-78.5-22.1179.6-69.2-20000113.2L57 N96 G97 T102L57-N100 WeakPolarHBondContact O-CB 3.49Å; L57-N100 PolarHBondContact O-ND2 3.05Å; N96-N100 VanDerWaalsContact O-CG 3.31Å; N96-N100 PolarHBondContact O-N 3.5Å; N96-N100 PolarHBondContact O-ND2 3.43Å; G97-N100 PolarHBondContact O-N 3.14Å; N100-T102 PolarHBondContact O-N 3.47Å
101R83.4Confident68.9Low27 Ų2775.3 Ų75.310%0.10241%0.406CS..SBendtrans-53.4138.9174.1-169.5177.6175.7-177.4-0.3109.2E48 L57 G97 Q103 S115 D145E48-R101 WeakPolarHBondContact OE1-CG 3.46Å; E48-R101 IonicContact OE1-NE 3.4Å; L57-R101 HydrophobicContact CD1-CB 4.26Å; L57-R101 HydrophobicContact CD1-CG 4.46Å; L57-R101 HydrophobicContact CD2-CB 4.16Å; G97-R101 PolarHBondContact O-N 2.93Å; R101-Q103 VanDerWaalsContact C-N 3.33Å; R101-Q103 WeakPolarHBondContact O-CG 3.31Å; R101-Q103 PolarHBondContact O-N 3.25Å; R101-S115 PolarHBondContact NE-OG 2.76Å; R101-S115 PolarHBondContact NH2-O 2.91Å; R101-S115 PolarHBondContact NH2-OG 3.46Å; R101-D145 IonicContact CZ-OD2 3.1Å; R101-D145 IonicContact NH1-OD2 3.42Å; R101-D145 PolarHBondContact NH1-OD2 3.22Å; R101-D145 IonicContact NH2-OD2 2.74Å; R101-D145 PolarHBondContact NH2-OD2 3.4Å; R101-D145 VanDerWaalsContact NH2-OD2 3.1Å
102T67.1Low67Low18 Ų1877.8 Ų77.811%0.1142%0.424CS..  trans-61.191.6-173.6-56.20000110.9E48 R55 N100 H104E48-T102 PolarHBondContact OE1-N 3.36Å; E48-T102 WeakPolarHBondContact OE2-CB 3.35Å; E48-T102 PolarHBondContact OE2-N 2.96Å; E48-T102 VanDerWaalsContact OE2-N 3.13Å; E48-T102 PolarHBondContact OE2-OG1 2.97Å; R55-T102 PolarHBondContact NH1-OG1 2.89Å; N100-T102 PolarHBondContact O-N 3.47Å; T102-H104 WeakPolarHBondContact CG2-CD2 3.3Å
103Q54.7Low65.3Low145 Ų14572.9 Ų72.968%0.67840%0.403SS*.  trans-100.278.3172-63.4-173.329.800107.7N98 R101N98-Q103 PolarHBondContact O-NE2 3.47Å; R101-Q103 VanDerWaalsContact C-N 3.33Å; R101-Q103 WeakPolarHBondContact O-CG 3.31Å; R101-Q103 PolarHBondContact O-N 3.25Å
104H43.1Very low64Low101 Ų10178.3 Ų78.347%0.46842%0.421SS..  trans-66.4134.9178.2-90.3-64.1000111T102 T106T102-H104 WeakPolarHBondContact CG2-CD2 3.3Å; H104-T106 PolarHBondContact O-N 2.9Å; H104-T106 VanDerWaalsContact O-N 3.16Å
105P40.7Very low63.3Low131 Ų13178.3 Ų78.385%0.85142%0.422SS*.SBendtrans-72.52.4178.4-16.830.7000115.4
106T38.9Very low63.1Low98 Ų9877.9 Ų77.960%0.60142%0.417SS*.SBendtrans-111.4115.5-173.644.90000109.9H104H104-T106 PolarHBondContact O-N 2.9Å; H104-T106 VanDerWaalsContact O-N 3.16Å
107D40.8Very low63.1Low132 Ų13274.1 Ų74.171%0.70640%0.397SS*.  trans68.997.3176.7-63.7-33.8000117.1N109D107-N109 PolarHBondContact O-N 2.92Å
108V43.7Very low63.2Low148 Ų14875.1 Ų75.190%0.89740%0.403SS*.THydrogen-bonded Turntrans-51.5-1.8175.3-140.90000115.1
109N41.5Very low63.6Low121 Ų12174.1 Ų74.165%0.64740%0.398SS*.THydrogen-bonded Turntrans-123.9-8.3-166.3-69.6-37.9000116.6D107D107-N109 PolarHBondContact O-N 2.92Å
110A43Very low64.1Low50 Ų5068.2 Ų68.241%0.41337%0.373SS..SBendtrans-132-1.2-168.500000117.3S113A110-S113 PolarHBondContact O-OG 3.1Å
111V49.5Very low64.5Low34 Ų3464 Ų6421%0.20635%0.35CS..SBendtrans-92.7-31.7-172-178.30000113.3S113 R114V111-S113 PolarHBondContact O-N 3.19Å; V111-R114 PolarHBondContact O-N 3.31Å
112S52.6Low65.1Low62 Ų6265.7 Ų65.743%0.43436%0.357SS..THydrogen-bonded Turntrans-74.7-5.6-178.557.60000114.6T2 A147 G148T2-S112 VanDerWaalsContact CG2-OG 3.28Å; T2-S112 WeakPolarHBondContact CG2-OG 3.49Å; S112-A147 VanDerWaalsContact O-CA 3.3Å; S112-A147 WeakPolarHBondContact O-CA 3.28Å; S112-A147 WeakPolarHBondContact O-CB 3.2Å; S112-G148 PolarHBondContact O-N 3.35Å
113S57.5Low66.5Low14 Ų1466.4 Ų66.410%0.09836%0.359CS..THydrogen-bonded Turntrans-90.3-7.3175.150.90000114.4A110 V111 A147 G148 E150A110-S113 PolarHBondContact O-OG 3.1Å; V111-S113 PolarHBondContact O-N 3.19Å; S113-A147 WeakPolarHBondContact O-CB 3.2Å; S113-G148 WeakPolarHBondContact CB-O 3.42Å; S113-E150 WeakPolarHBondContact CB-OE1 3.34Å; S113-E150 PolarHBondContact OG-OE1 2.74Å
114R68.6Low68.4Low144 Ų14463.7 Ų63.754%0.54334%0.343SS..SBendtrans-127.22.6-176.1-56.3-175.5-174.2-174.71.1115.3Y50 V111Y50-R114 HydrophobicContact CE2-CB 4.34Å; V111-R114 PolarHBondContact O-N 3.31Å
115S76.8Confident70.8Confident4 Ų460.8 Ų60.83%0.02833%0.33CS..EExtended strand (participates in β ladder)trans-113.8112.2178.1165.10000110E48 R101 A147E48-S115 WeakPolarHBondContact OE1-CB 3.37Å; E48-S115 PolarHBondContact OE1-OG 3.39Å; R101-S115 PolarHBondContact NE-OG 2.76Å; R101-S115 PolarHBondContact NH2-O 2.91Å; R101-S115 PolarHBondContact NH2-OG 3.46Å; S115-A147 WeakPolarHBondContact O-CB 2.99Å
116H86.4Confident73.3Confident64 Ų6456 Ų5630%0.29630%0.296SS..EExtended strand (participates in β ladder)trans-98.7131.7170.1-56.5-91.3000109.2E48 V49 D145 L146 A147E48-H116 CarbonylContact C-O 3.49Å; E48-H116 VanDerWaalsContact CA-O 3.31Å; E48-H116 WeakPolarHBondContact CA-O 3.37Å; V49-H116 HydrophobicContact CB-CB 4.34Å; V49-H116 PolarHBondContact N-O 3.43Å; V49-H116 PolarHBondContact O-N 3.38Å; H116-D145 WeakPolarHBondContact CA-O 3.48Å; H116-L146 WeakPolarHBondContact ND1-CA 3.3Å; H116-L146 VanDerWaalsContact ND1-CD2 3.32Å; H116-L146 WeakPolarHBondContact ND1-CD2 3.36Å; H116-A147 VanDerWaalsContact CE1-CB 3.45Å; H116-A147 WeakPolarHBondContact CE1-CB 3.32Å; H116-A147 PolarHBondContact CE1-N 3.42Å; H116-A147 PolarHBondContact ND1-N 3.12Å
117A89.1Confident75.7Confident0 Ų053.8 Ų53.80%028%0.28CS..EExtended strand (participates in β ladder)trans-111.1133.7175.400000110.3Y46 I144 D145Y46-A117 HydrophobicContact CE2-CB 3.86Å; A117-I144 WeakPolarHBondContact O-CA 3.21Å; A117-D145 HydrophobicContact CB-CB 4.36Å; A117-D145 PolarHBondContact N-O 3.21Å; A117-D145 PolarHBondContact O-N 2.82Å
118V92.4Very high77.9Confident21 Ų2152.8 Ų52.813%0.12727%0.27CS..EExtended strand (participates in β ladder)trans-128.3102.5-176.5-178.60000108.9Y46 L47 Q120 I144Y46-V118 WeakPolarHBondContact CD2-O 3.47Å; L47-V118 HydrophobicContact CD1-CB 3.86Å; L47-V118 HydrophobicContact CD1-CG2 4.02Å; L47-V118 HydrophobicContact CG-CB 4.01Å; L47-V118 PolarHBondContact N-O 2.91Å; L47-V118 VanDerWaalsContact N-O 3.14Å; L47-V118 PolarHBondContact O-N 2.9Å; V118-Q120 HydrophobicContact CG1-CG 3.76Å; V118-I144 HydrophobicContact CG1-CG1 4.24Å; V118-I144 HydrophobicContact CG2-CG1 4.39Å; V118-I144 HydrophobicContact CG2-CG2 4.16Å
119F94.4Very high79.5Confident0 Ų051.3 Ų51.30%026%0.261CS..EExtended strand (participates in β ladder)trans-93.7117.1173.4-168.5-111.8000109.3M24 V44 Y46 I90 L94 I121 S142 L143M24-F119 HydrophobicContact SD-CE1 3.85Å; V44-F119 HydrophobicContact CB-CE2 4.43Å; V44-F119 HydrophobicContact CB-CZ 4.17Å; V44-F119 HydrophobicContact CG1-CZ 4.23Å; Y46-F119 AromaticContact CD1-CD2 3.78Å; Y46-F119 HydrophobicContact CD1-CD2 3.78Å; Y46-F119 HydrophobicContact CD1-CE2 4.28Å; Y46-F119 HydrophobicContact CD2-CB 3.86Å; Y46-F119 AromaticContact CD2-CD2 3.81Å; Y46-F119 HydrophobicContact CD2-CD2 3.81Å; Y46-F119 HydrophobicContact CD2-CG 4.35Å; Y46-F119 HydrophobicContact CE1-CD2 4.36Å; Y46-F119 HydrophobicContact CE2-CB 3.89Å; Y46-F119 HydrophobicContact CE2-CD2 4.35Å; Y46-F119 HydrophobicContact CG-CB 4.43Å; Y46-F119 AromaticContact CG-CD2 3.5Å; Y46-F119 HydrophobicContact CG-CD2 3.5Å; Y46-F119 HydrophobicContact CG-CE2 4.26Å; Y46-F119 HydrophobicContact CG-CG 4.45Å; I90-F119 HydrophobicContact CD1-CE1 4.32Å; I90-F119 HydrophobicContact CD1-CZ 4.33Å; I90-F119 HydrophobicContact CG1-CE1 4.29Å; I90-F119 HydrophobicContact CG1-CZ 3.93Å; L94-F119 HydrophobicContact CD1-CD2 4.31Å; L94-F119 HydrophobicContact CD1-CE2 4.5Å; L94-F119 HydrophobicContact CD1-CG 4.34Å; F119-I121 HydrophobicContact CD1-CD1 3.75Å; F119-I121 HydrophobicContact CD1-CG1 4.08Å; F119-I121 HydrophobicContact CE1-CD1 3.8Å; F119-I121 HydrophobicContact CE1-CG1 3.73Å; F119-S142 WeakPolarHBondContact O-CA 3.27Å; F119-L143 HydrophobicContact CB-CB 4.44Å; F119-L143 HydrophobicContact CD1-CD1 4.4Å; F119-L143 PolarHBondContact N-O 2.82Å; F119-L143 PolarHBondContact O-N 3.08Å
120Q95.4Very high80.4Confident26 Ų2647.1 Ų47.112%0.12124%0.243CC..EExtended strand (participates in β ladder)trans-111.6133-178-53.1-178.1-33.100110.1V44 S45 V118 Y122 M141V44-Q120 VanDerWaalsContact CA-O 3.24Å; V44-Q120 WeakPolarHBondContact CA-O 3.23Å; S45-Q120 PolarHBondContact N-O 2.69Å; S45-Q120 PolarHBondContact O-N 3.36Å; S45-Q120 PolarHBondContact OG-OE1 2.63Å; V118-Q120 HydrophobicContact CG1-CG 3.76Å; Q120-Y122 HydrophobicContact CB-CE2 3.87Å; Q120-Y122 PolarHBondContact OE1-OH 3.29Å; Q120-M141 WeakPolarHBondContact CA-O 3.44Å
121I95.8Very high81.2Confident3 Ų350.4 Ų50.42%0.01526%0.263CS..EExtended strand (participates in β ladder)trans-117.7133.2173.4-54.1111.4000108.6M24 L27 V44 I90 F119 K140 M141 L143M24-I121 HydrophobicContact CE-CD1 3.51Å; M24-I121 HydrophobicContact CE-CG1 4.38Å; M24-I121 HydrophobicContact SD-CD1 3.83Å; M24-I121 HydrophobicContact SD-CG1 4.07Å; L27-I121 HydrophobicContact CD2-CG2 3.94Å; V44-I121 HydrophobicContact CG1-CB 4.43Å; V44-I121 HydrophobicContact CG1-CG1 4.04Å; V44-I121 HydrophobicContact CG1-CG2 4.25Å; I90-I121 HydrophobicContact CD1-CG1 4.27Å; F119-I121 HydrophobicContact CD1-CD1 3.75Å; F119-I121 HydrophobicContact CD1-CG1 4.08Å; F119-I121 HydrophobicContact CE1-CD1 3.8Å; F119-I121 HydrophobicContact CE1-CG1 3.73Å; I121-K140 CarbonylContact O-C 3.56Å; I121-K140 WeakPolarHBondContact O-CA 3.44Å; I121-M141 HydrophobicContact CB-CB 4.43Å; I121-M141 HydrophobicContact CD1-CB 4.4Å; I121-M141 HydrophobicContact CD1-CG 4.48Å; I121-M141 HydrophobicContact CD1-SD 4.27Å; I121-M141 PolarHBondContact N-O 3.14Å; I121-M141 PolarHBondContact O-N 3.04Å; I121-L143 HydrophobicContact CD1-CD1 4.01Å
122Y95.6Very high81.8Confident64 Ų6456.1 Ų56.125%0.25129%0.291SS..EExtended strand (participates in β ladder)trans-113.6118.6174.8-58.5-95.1000107.5T42 A43 L81 Q120 A139 K140T42-Y122 CarbonylContact C-O 3.59Å; T42-Y122 WeakPolarHBondContact CA-O 3.23Å; A43-Y122 PolarHBondContact N-O 3.49Å; A43-Y122 PolarHBondContact O-N 2.87Å; L81-Y122 HydrophobicContact CD2-CD2 3.96Å; L81-Y122 HydrophobicContact CD2-CE2 3.81Å; Q120-Y122 HydrophobicContact CB-CE2 3.87Å; Q120-Y122 PolarHBondContact OE1-OH 3.29Å; Y122-A139 CarbonylContact C-O 3.55Å; Y122-A139 WeakPolarHBondContact CA-O 3.37Å; Y122-K140 HydrophobicContact CD1-CB 4.23Å; Y122-K140 HydrophobicContact CD1-CD 4.38Å; Y122-K140 HydrophobicContact CD1-CG 4.08Å; Y122-K140 HydrophobicContact CE1-CB 4.3Å; Y122-K140 HydrophobicContact CE1-CD 3.62Å; Y122-K140 HydrophobicContact CE1-CG 3.78Å; Y122-K140 WeakPolarHBondContact OH-CE 3.45Å; Y122-K140 PolarHBondContact OH-NZ 2.74Å; Y122-K140 VanDerWaalsContact OH-NZ 3.07Å
123L95.6Very high82Confident32 Ų3259 Ų5917%0.16830%0.301CS..EExtended strand (participates in β ladder)trans-108.5118.1175.6179.166.4000108.6L27 I31 C40 T42 I138 A139L27-L123 HydrophobicContact CD1-CD2 4.37Å; I31-L123 HydrophobicContact CD1-CD1 3.88Å; I31-L123 HydrophobicContact CG1-CD1 4.26Å; C40-L123 HydrophobicContact CB-CD1 4.1Å; T42-L123 HydrophobicContact CG2-CD1 3.84Å; L123-I138 CarbonylContact O-C 3.54Å; L123-I138 WeakPolarHBondContact O-CA 3.45Å; L123-A139 PolarHBondContact N-O 3.23Å; L123-A139 PolarHBondContact O-N 2.6Å
124R94.9Very high82.5Confident88 Ų8865.2 Ų65.233%0.33233%0.329SS..EExtended strand (participates in β ladder)trans-103.2121.9169.6-179.4179.7-176.8-79-6.5108.4C40 S41 Q126 V136 R137 I138C40-R124 CarbonylContact C-O 3.59Å; C40-R124 VanDerWaalsContact CA-O 3.29Å; C40-R124 WeakPolarHBondContact CA-O 3.18Å; S41-R124 PolarHBondContact N-O 3.16Å; S41-R124 PolarHBondContact O-N 3.29Å; R124-Q126 VanDerWaalsContact CZ-OE1 3.29Å; R124-V136 HydrophobicContact CG-CG1 3.82Å; R124-R137 CarbonylContact C-O 3.59Å; R124-R137 WeakPolarHBondContact CA-O 3.46Å; R124-I138 HydrophobicContact CG-CG1 4.34Å
125Q93.8Very high83Confident41 Ų4163.4 Ų63.419%0.19233%0.33CS..EExtended strand (participates in β ladder)trans-122.7137-179.4-178.9-173.1-40.900109.8K38 E39 R137K38-Q125 HydrophobicContact CB-CG 4.05Å; K38-Q125 HydrophobicContact CD-CG 4.47Å; K38-Q125 HydrophobicContact CG-CG 4.27Å; E39-Q125 CarbonylContact O-C 3.44Å; E39-Q125 WeakPolarHBondContact O-CA 3.02Å; Q125-R137 PolarHBondContact N-O 3.15Å; Q125-R137 PolarHBondContact O-N 3.1Å
126Q92.4Very high83.5Confident29 Ų2965.9 Ų65.914%0.13635%0.345CS..EExtended strand (participates in β ladder)trans-142.4156.7173.867.2-174.517.900111.6K38 E39 R124 V136K38-Q126 CarbonylContact C-O 3.57Å; K38-Q126 VanDerWaalsContact CA-O 3.31Å; K38-Q126 WeakPolarHBondContact CA-O 3.36Å; E39-Q126 HydrophobicContact CB-CG 3.92Å; E39-Q126 PolarHBondContact N-O 3.24Å; E39-Q126 PolarHBondContact O-N 2.78Å; E39-Q126 PolarHBondContact OE2-NE2 3.46Å; R124-Q126 VanDerWaalsContact CZ-OE1 3.29Å; Q126-V136 HydrophobicContact CB-CG2 4.32Å
127D90.8Very high83.7Confident52 Ų5271.1 Ų71.128%0.27836%0.362SS..EExtended strand (participates in β ladder)trans-72.1132.3175-84.2-60.5000112K38 T129 A130K38-D127 WeakPolarHBondContact CD-OD1 3.46Å; K38-D127 WeakPolarHBondContact CE-OD1 3.48Å; K38-D127 IonicContact NZ-OD1 3.96Å; K38-D127 PolarHBondContact NZ-OD1 3.21Å; K38-D127 IonicContact NZ-OD2 2.69Å; K38-D127 PolarHBondContact NZ-OD2 3.03Å; D127-T129 VanDerWaalsContact C-N 3.32Å; D127-A130 HydrophobicContact CB-CB 3.91Å
128K86.9Confident83.8Confident112 Ų11277.2 Ų77.249%0.48739%0.393SS..THydrogen-bonded Turntrans-71.2-27.1175.3-76.1-177.7167.3-173.80113.2K35 E36 E37 K38 E39K35-K128 WeakPolarHBondContact O-CE 3.33Å; K35-K128 PolarHBondContact O-NZ 3.23Å; E36-K128 WeakPolarHBondContact O-CD 3.3Å; E37-K128 PolarHBondContact O-N 3.39Å; K38-K128 WeakPolarHBondContact O-CE 3.39Å; E39-K128 HydrophobicContact CB-CG 4.16Å
129T76.8Confident83.9Confident117 Ų11778.9 Ų78.972%0.71841%0.409SS*.THydrogen-bonded Turntrans-942.1-172.4550000114D127 S131D127-T129 VanDerWaalsContact C-N 3.32Å; T129-S131 PolarHBondContact O-N 3.45Å
130A60.5Low83.8Confident32 Ų3284.3 Ų84.326%0.26443%0.433SS..  trans-80.582.9-171.200000112.9D127 I132 N133D127-A130 HydrophobicContact CB-CB 3.91Å; A130-I132 PolarHBondContact O-N 3.2Å; A130-N133 VanDerWaalsContact CB-O 3.28Å; A130-N133 WeakPolarHBondContact CB-O 3.37Å
131S59.9Low83.7Confident119 Ų11987 Ų8783%0.83245%0.446SS*.SBendtrans-70.5-11.5171.3-50.30000113.9T129T129-S131 PolarHBondContact O-N 3.45Å
132I60.7Low83.5Confident154 Ų15489.3 Ų89.379%0.7946%0.463SS*.SBendtrans-137.3-23.6-169-55.1179.6000114.1A130A130-I132 PolarHBondContact O-N 3.2Å
133N57.7Low83.3Confident122 Ų12287.3 Ų87.365%0.65246%0.457SS*.  trans-145.499.9176.6-88.4-43000111.9A130 N135A130-N133 VanDerWaalsContact CB-O 3.28Å; A130-N133 WeakPolarHBondContact CB-O 3.37Å; N133-N135 VanDerWaalsContact C-N 3.34Å; N133-N135 PolarHBondContact O-N 3Å
134Q67.3Low82.9Confident145 Ų14589.6 Ų89.668%0.67847%0.468SS*.  trans-7484.9175.1-67.4-179-300110.2V136Q134-V136 HydrophobicContact CB-CG2 4.32Å; Q134-V136 PolarHBondContact O-N 2.72Å
135N79.3Confident82.3Confident107 Ų10785.6 Ų85.657%0.57245%0.453SS*.  trans-71.484.3169.5-83.6-19.9000109.6N133N133-N135 VanDerWaalsContact C-N 3.34Å; N133-N135 PolarHBondContact O-N 3Å
136V88.3Confident81.6Confident55 Ų5588.5 Ų88.533%0.33347%0.47SS..  trans-79.3121.5174.1-177.40000108.7R124 Q126 Q134 I138R124-V136 HydrophobicContact CG-CG1 3.82Å; Q126-V136 HydrophobicContact CB-CG2 4.32Å; Q134-V136 HydrophobicContact CB-CG2 4.32Å; Q134-V136 PolarHBondContact O-N 2.72Å; V136-I138 HydrophobicContact CG1-CG1 4.18Å
137R90.8Very high80.5Confident175 Ų17587.7 Ų87.766%0.6647%0.468SS*.EExtended strand (participates in β ladder)trans-104.5133.7170.6-65.4-176.7179.9179.60109.1R124 Q125R124-R137 CarbonylContact C-O 3.59Å; R124-R137 WeakPolarHBondContact CA-O 3.46Å; Q125-R137 PolarHBondContact N-O 3.15Å; Q125-R137 PolarHBondContact O-N 3.1Å
138I91.3Very high79Confident127 Ų12785.6 Ų85.665%0.65146%0.458SS*.EExtended strand (participates in β ladder)trans-120.7122173.9-57.2176.3000107.2L123 R124 V136L123-I138 CarbonylContact O-C 3.54Å; L123-I138 WeakPolarHBondContact O-CA 3.45Å; R124-I138 HydrophobicContact CG-CG1 4.34Å; V136-I138 HydrophobicContact CG1-CG1 4.18Å
139A92.8Very high77.3Confident56 Ų5685.7 Ų85.746%0.46346%0.463SS..EExtended strand (participates in β ladder)trans-114.6144.5173.700000109.6Y122 L123Y122-A139 CarbonylContact C-O 3.55Å; Y122-A139 WeakPolarHBondContact CA-O 3.37Å; L123-A139 PolarHBondContact N-O 3.23Å; L123-A139 PolarHBondContact O-N 2.6Å
140K93.2Very high76.1Confident115 Ų11584.8 Ų84.850%0.545%0.451SS..EExtended strand (participates in β ladder)trans-120121.7172-178.9-177.8178.7165.90108.8I121 Y122 S142I121-K140 CarbonylContact O-C 3.56Å; I121-K140 WeakPolarHBondContact O-CA 3.44Å; Y122-K140 HydrophobicContact CD1-CB 4.23Å; Y122-K140 HydrophobicContact CD1-CD 4.38Å; Y122-K140 HydrophobicContact CD1-CG 4.08Å; Y122-K140 HydrophobicContact CE1-CB 4.3Å; Y122-K140 HydrophobicContact CE1-CD 3.62Å; Y122-K140 HydrophobicContact CE1-CG 3.78Å; Y122-K140 WeakPolarHBondContact OH-CE 3.45Å; Y122-K140 PolarHBondContact OH-NZ 2.74Å; Y122-K140 VanDerWaalsContact OH-NZ 3.07Å; K140-S142 WeakPolarHBondContact CE-OG 3.33Å
141M93.9Very high75.2Confident82 Ų8295.7 Ų95.740%0.40449%0.492SS..EExtended strand (participates in β ladder)trans-104.9140.1168.7-173.6-177.9-69.300108.7T23 Q120 I121 L143T23-M141 HydrophobicContact CG2-CE 4.34Å; T23-M141 HydrophobicContact CG2-SD 3.76Å; Q120-M141 WeakPolarHBondContact CA-O 3.44Å; I121-M141 HydrophobicContact CB-CB 4.43Å; I121-M141 HydrophobicContact CD1-CB 4.4Å; I121-M141 HydrophobicContact CD1-CG 4.48Å; I121-M141 HydrophobicContact CD1-SD 4.27Å; I121-M141 PolarHBondContact N-O 3.14Å; I121-M141 PolarHBondContact O-N 3.04Å; M141-L143 HydrophobicContact SD-CD2 4.46Å; M141-L143 HydrophobicContact SD-CG 4.46Å
142S91.8Very high76Confident52 Ų5294.5 Ų94.536%0.36448%0.475SS..EExtended strand (participates in β ladder)trans-131.4115176.3-63.90000109.3F119 K140F119-S142 WeakPolarHBondContact O-CA 3.27Å; K140-S142 WeakPolarHBondContact CE-OG 3.33Å
143L90.1Very high76.8Confident22 Ų2291.4 Ų91.412%0.11546%0.459CS..EExtended strand (participates in β ladder)trans-100.4115.2176.8-63.1168.3000107.3M10 M20 T23 M24 F119 I121 M141M10-L143 HydrophobicContact CE-CB 4.2Å; M20-L143 HydrophobicContact CB-CD1 4.31Å; M20-L143 HydrophobicContact CE-CB 3.93Å; M20-L143 HydrophobicContact CG-CB 4.17Å; M20-L143 HydrophobicContact CG-CD1 4.06Å; M20-L143 HydrophobicContact SD-CB 4.42Å; T23-L143 HydrophobicContact CG2-CD1 4.5Å; M24-L143 HydrophobicContact CE-CD1 3.51Å; F119-L143 HydrophobicContact CB-CB 4.44Å; F119-L143 HydrophobicContact CD1-CD1 4.4Å; F119-L143 PolarHBondContact N-O 2.82Å; F119-L143 PolarHBondContact O-N 3.08Å; I121-L143 HydrophobicContact CD1-CD1 4.01Å; M141-L143 HydrophobicContact SD-CD2 4.46Å; M141-L143 HydrophobicContact SD-CG 4.46Å
144I87.3Confident77.8Confident79 Ų7989.7 Ų89.741%0.40545%0.448SS..EExtended strand (participates in β ladder)trans-118.3119.3-168.8-53.9176.8000109.1A117 V118 L146A117-I144 WeakPolarHBondContact O-CA 3.21Å; V118-I144 HydrophobicContact CG1-CG1 4.24Å; V118-I144 HydrophobicContact CG2-CG1 4.39Å; V118-I144 HydrophobicContact CG2-CG2 4.16Å; I144-L146 HydrophobicContact CG2-CD2 3.44Å; I144-L146 VanDerWaalsContact CG2-CD2 3.44Å; I144-L146 HydrophobicContact CG2-CG 3.77Å
145D82.7Confident78.5Confident5 Ų586.4 Ų86.43%0.02744%0.435CS..EExtended strand (participates in β ladder)trans-97.1101.9167.1-179.143.5000108.2T7 M10 M20 R101 H116 A117T7-D145 PolarHBondContact OG1-OD2 3.17Å; M10-D145 HydrophobicContact CG-CB 4.44Å; M20-D145 HydrophobicContact CE-CB 4.34Å; R101-D145 IonicContact CZ-OD2 3.1Å; R101-D145 IonicContact NH1-OD2 3.42Å; R101-D145 PolarHBondContact NH1-OD2 3.22Å; R101-D145 IonicContact NH2-OD2 2.74Å; R101-D145 PolarHBondContact NH2-OD2 3.4Å; R101-D145 VanDerWaalsContact NH2-OD2 3.1Å; H116-D145 WeakPolarHBondContact CA-O 3.48Å; A117-D145 HydrophobicContact CB-CB 4.36Å; A117-D145 PolarHBondContact N-O 3.21Å; A117-D145 PolarHBondContact O-N 2.82Å
146L78.4Confident78.4Confident102 Ų10285.1 Ų85.153%0.53443%0.426SS..PPolyproline II helixtrans-83.1139.1-179.2-65.8176.4000110.9H116 I144H116-L146 WeakPolarHBondContact ND1-CA 3.3Å; H116-L146 VanDerWaalsContact ND1-CD2 3.32Å; H116-L146 WeakPolarHBondContact ND1-CD2 3.36Å; I144-L146 HydrophobicContact CG2-CD2 3.44Å; I144-L146 VanDerWaalsContact CG2-CD2 3.44Å; I144-L146 HydrophobicContact CG2-CG 3.77Å
147A69.8Low77.8Confident11 Ų1187.1 Ų87.19%0.09143%0.432CS..PPolyproline II helixtrans-58.2148.2172.200000111.5S112 S113 S115 H116S112-A147 VanDerWaalsContact O-CA 3.3Å; S112-A147 WeakPolarHBondContact O-CA 3.28Å; S112-A147 WeakPolarHBondContact O-CB 3.2Å; S113-A147 WeakPolarHBondContact O-CB 3.2Å; S115-A147 WeakPolarHBondContact O-CB 2.99Å; H116-A147 VanDerWaalsContact CE1-CB 3.45Å; H116-A147 WeakPolarHBondContact CE1-CB 3.32Å; H116-A147 PolarHBondContact CE1-N 3.42Å; H116-A147 PolarHBondContact ND1-N 3.12Å
148G60.7Low76.8Confident8 Ų880.9 Ų80.98%0.08242%0.416CS..PPolyproline II helixtrans-66.8134.1179.800000112.6S112 S113 E150S112-G148 PolarHBondContact O-N 3.35Å; S113-G148 WeakPolarHBondContact CB-O 3.42Å; G148-E150 PolarHBondContact O-N 2.78Å
149I50.9Low75.7Confident115 Ų11577.3 Ų77.359%0.5940%0.398SS*.PPolyproline II helixtrans-65.5126.5172.4-57172.4000108.6Q1 F151Q1-I149 PolarHBondContact N-O 3.16Å; I149-F151 HydrophobicContact CG2-CD2 4.28Å; I149-F151 HydrophobicContact CG2-CE2 3.92Å; I149-F151 HydrophobicContact CG2-CZ 4.05Å
150E50.2Low74.3Confident97 Ų9779.1 Ų79.145%0.45339%0.392SS..PPolyproline II helixtrans-98.7129.3169-60-17215600108.1S113 G148S113-E150 WeakPolarHBondContact CB-OE1 3.34Å; S113-E150 PolarHBondContact OG-OE1 2.74Å; G148-E150 PolarHBondContact O-N 2.78Å
151F42.5Very low72.6Confident261 Ų26175.8 Ų75.8100%1.14538%0.383SS*.  trans-1070169.3-71.2-77.6000108I149I149-F151 HydrophobicContact CG2-CD2 4.28Å; I149-F151 HydrophobicContact CG2-CE2 3.92Å; I149-F151 HydrophobicContact CG2-CZ 4.05Å

Retrieved 151 of 151 residues in 273.4 ms (Link to these results)

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