G4LWI9_SCHMA Loading...

Vacuolar protein sorting-associated protein 29

Component of the commander complex that is essential for endosomal recycling of transmembrane cargos; the commander complex is composed of the Csubcomplex and the retriever subcomplex. Component of the retriever complex, which is a heterotrimeric complex related to retromer cargo-selective complex (CSC) and essential for retromer-independent retrieval and recycling of numerous cargos. Component of the retromer cargo-selective complex (CSC). The CSC is believed to be the core functional component of retromer or respective retromer complex variants acting to prevent missorting of selected transmembrane cargo proteins into the lysosomal degradation pathway. In the endosomes, retriever complex drives the retrieval and recycling of NxxY-motif-containing cargo proteins by coupling to snx17, a cargo essential for the homeostatic maintenance of numerous cell surface proteins associated with processes that include cell migration, cell adhesion, nutrient supply and cell signaling. The recruitment of the retriever complex to the endosomal membrane involves Cand WASH complexes.

AlphaFold DB , UniProt , Accession G4LWI9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 144 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
1M88.7Confident96.3Very high135 Ų13533.8 Ų33.867%0.66518%0.18SC*.  0129.70179.2177.665.300107.7Q32 V77M1-Q32 HydrophobicContact CG-CB 4.17Å; M1-V77 HydrophobicContact CE-CG1 3.32Å; M1-V77 HydrophobicContact SD-CG1 3.75Å
2L94.3Very high96.1Very high106 Ų10638 Ų3856%0.55521%0.21SC*.  trans-116.8127.8179.9-64.9-179.8000109.3Q32 H33L2-Q32 PolarHBondContact O-N 3.11Å; L2-H33 PolarHBondContact O-N 3.3Å
3V96.7Very high96Very high56 Ų5643.3 Ų43.334%0.33924%0.238SC..EExtended strand (participates in β ladder)trans-112.9125.2178.1-177.10000107.5V5 H33 L35 V77V3-V5 HydrophobicContact CG1-CG2 4.48Å; V3-H33 WeakPolarHBondContact CA-O 3.44Å; V3-H33 HydrophobicContact CG1-CB 4.12Å; V3-H33 HydrophobicContact CG2-CB 4.23Å; V3-L35 HydrophobicContact CG1-CD1 3.74Å; V3-L35 HydrophobicContact CG1-CG 3.77Å; V3-V77 HydrophobicContact CG2-CG1 3.67Å
4L97.2Very high95.9Very high29 Ų2946.1 Ų46.115%0.15224%0.243CC..EExtended strand (participates in β ladder)trans-92.7124.4171172.965.3000108.8I6 L26 I31 H33 I34 L35L4-I6 HydrophobicContact CD1-CB 4.45Å; L4-I6 HydrophobicContact CD2-CB 4.47Å; L4-I6 HydrophobicContact CD2-CD1 4.25Å; L4-I6 HydrophobicContact CD2-CG2 4.36Å; L4-I6 HydrophobicContact CG-CB 4.2Å; L4-I6 HydrophobicContact CG-CG2 4.34Å; L4-L26 HydrophobicContact CD1-CD2 4.32Å; L4-L26 HydrophobicContact CD2-CD2 3.68Å; L4-I31 HydrophobicContact CB-CD1 4.23Å; L4-I31 HydrophobicContact CB-CG1 4.46Å; L4-I31 HydrophobicContact CB-CG2 3.79Å; L4-I31 HydrophobicContact CD2-CD1 4.06Å; L4-H33 PolarHBondContact N-O 3.14Å; L4-I34 HydrophobicContact CB-CG1 4.23Å; L4-I34 HydrophobicContact CD2-CD1 4.24Å; L4-I34 HydrophobicContact CD2-CG1 4.19Å; L4-I34 HydrophobicContact CD2-CG2 4.4Å; L4-I34 CarbonylContact O-C 3.46Å; L4-I34 WeakPolarHBondContact O-CA 3.38Å; L4-L35 PolarHBondContact O-N 3.01Å
5V98.2Very high95.8Very high34 Ų3448.2 Ų48.221%0.20625%0.25CC..EExtended strand (participates in β ladder)trans-104.5127.1168.9-172.10000108.1V3 L35 I112 I130 P132V3-V5 HydrophobicContact CG1-CG2 4.48Å; V5-L35 WeakPolarHBondContact CA-O 3.4Å; V5-I112 HydrophobicContact CG1-CD1 4.13Å; V5-I112 HydrophobicContact CG1-CG2 3.42Å; V5-I112 VanDerWaalsContact CG1-CG2 3.42Å; V5-I112 HydrophobicContact CG2-CD1 3.83Å; V5-I130 HydrophobicContact CG1-CG2 4.32Å; V5-P132 HydrophobicContact CB-CB 4.49Å; V5-P132 HydrophobicContact CG1-CB 4.02Å; V5-P132 HydrophobicContact CG1-CG 3.97Å
6I98.1Very high95.8Very high4 Ų460 Ų602%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-153.8164-171-162.5162.5000110.9L4 F9 F22 I34 L35 C36 T37 L49 A135L4-I6 HydrophobicContact CD1-CB 4.45Å; L4-I6 HydrophobicContact CD2-CB 4.47Å; L4-I6 HydrophobicContact CD2-CD1 4.25Å; L4-I6 HydrophobicContact CD2-CG2 4.36Å; L4-I6 HydrophobicContact CG-CB 4.2Å; L4-I6 HydrophobicContact CG-CG2 4.34Å; I6-F9 HydrophobicContact CB-CE2 4.5Å; I6-F9 HydrophobicContact CB-CZ 4.41Å; I6-F9 HydrophobicContact CD1-CE1 4.01Å; I6-F9 HydrophobicContact CD1-CE2 4.25Å; I6-F9 HydrophobicContact CD1-CZ 3.41Å; I6-F9 VanDerWaalsContact CD1-CZ 3.41Å; I6-F9 HydrophobicContact CG1-CE1 4.35Å; I6-F9 HydrophobicContact CG1-CE2 3.8Å; I6-F9 HydrophobicContact CG1-CZ 3.48Å; I6-F9 VanDerWaalsContact CG1-CZ 3.48Å; I6-F9 HydrophobicContact CG2-CE2 4.13Å; I6-F9 HydrophobicContact CG2-CZ 4.12Å; I6-F22 HydrophobicContact CD1-CE1 3.81Å; I6-F22 HydrophobicContact CD1-CZ 4.27Å; I6-I34 HydrophobicContact CG2-CG2 3.84Å; I6-L35 PolarHBondContact N-O 3.27Å; I6-C36 HydrophobicContact CG2-CB 4.39Å; I6-C36 CarbonylContact O-C 3.53Å; I6-C36 WeakPolarHBondContact O-CA 3.47Å; I6-T37 PolarHBondContact O-N 2.95Å; I6-T37 PolarHBondContact O-OG1 2.75Å; I6-L49 HydrophobicContact CG2-CD2 4.41Å; I6-A135 HydrophobicContact CD1-CB 3.97Å; I6-A135 HydrophobicContact CG1-CB 3.63Å
7G97.9Very high95.7Very high0 Ų060.1 Ų60.10%030%0.298CS..  trans167.7-168.5174.300000112.2F9 T37 A135G7-F9 VanDerWaalsContact C-N 3.27Å; G7-F9 PolarHBondContact O-N 2.84Å; G7-T37 WeakPolarHBondContact CA-OG1 3.3Å; G7-A135 VanDerWaalsContact O-CB 3.26Å; G7-A135 WeakPolarHBondContact O-CB 3.36Å; G7-A135 PolarHBondContact O-N 3.16Å
8D97.8Very high95.6Very high0 Ų056.9 Ų56.90%028%0.282CS..  trans51.648.2175.4-72.2-49.8000112.1H10 G38 N39 H86 H115 H117 S134D8-H10 IonicContact OD1-NE2 3.88Å; D8-G38 PolarHBondContact N-O 3.39Å; D8-N39 WeakPolarHBondContact OD1-CB 3.45Å; D8-N39 PolarHBondContact OD1-ND2 2.71Å; D8-N39 VanDerWaalsContact OD1-ND2 3.1Å; D8-H86 IonicContact OD1-CE1 3.06Å; D8-H86 PolarHBondContact OD1-CE1 2.94Å; D8-H115 PolarHBondContact OD2-N 3.09Å; D8-H117 IonicContact OD1-CD2 2.65Å; D8-H117 IonicContact OD1-NE2 3.53Å; D8-H117 IonicContact OD2-CD2 3.8Å; D8-S134 PolarHBondContact O-OG 3.38Å
9F97.5Very high95.5Very high0 Ų060.6 Ų60.60%030%0.298CS..  trans-73.9-47.3-179.2-72.1-99.2000111.2I6 G7 I11 L18 N39 L40 M45 L49 A135 T136I6-F9 HydrophobicContact CB-CE2 4.5Å; I6-F9 HydrophobicContact CB-CZ 4.41Å; I6-F9 HydrophobicContact CD1-CE1 4.01Å; I6-F9 HydrophobicContact CD1-CE2 4.25Å; I6-F9 HydrophobicContact CD1-CZ 3.41Å; I6-F9 VanDerWaalsContact CD1-CZ 3.41Å; I6-F9 HydrophobicContact CG1-CE1 4.35Å; I6-F9 HydrophobicContact CG1-CE2 3.8Å; I6-F9 HydrophobicContact CG1-CZ 3.48Å; I6-F9 VanDerWaalsContact CG1-CZ 3.48Å; I6-F9 HydrophobicContact CG2-CE2 4.13Å; I6-F9 HydrophobicContact CG2-CZ 4.12Å; G7-F9 VanDerWaalsContact C-N 3.27Å; G7-F9 PolarHBondContact O-N 2.84Å; F9-I11 VanDerWaalsContact C-N 3.26Å; F9-I11 HydrophobicContact CB-CD1 4.4Å; F9-I11 HydrophobicContact CB-CG1 4.38Å; F9-I11 HydrophobicContact CD1-CD1 4.24Å; F9-I11 PolarHBondContact O-N 2.89Å; F9-L18 HydrophobicContact CD1-CD2 3.74Å; F9-L18 HydrophobicContact CD1-CG 4.16Å; F9-L18 HydrophobicContact CE1-CD1 3.94Å; F9-L18 HydrophobicContact CE1-CD2 3.6Å; F9-L18 HydrophobicContact CE1-CG 4.02Å; F9-N39 PolarHBondContact N-O 3.37Å; F9-L40 HydrophobicContact CD2-CD2 3.38Å; F9-L40 HydrophobicContact CD2-CG 4.47Å; F9-L40 HydrophobicContact CE2-CD2 3.52Å; F9-L40 HydrophobicContact CG-CD2 4.06Å; F9-L40 HydrophobicContact CZ-CD2 4.3Å; F9-M45 HydrophobicContact CD1-CE 3.52Å; F9-M45 HydrophobicContact CE1-CE 3.66Å; F9-M45 HydrophobicContact CG-CE 4.31Å; F9-L49 HydrophobicContact CE2-CD1 4.47Å; F9-L49 HydrophobicContact CZ-CD1 4.46Å; F9-L49 HydrophobicContact CZ-CD2 4.08Å; F9-A135 HydrophobicContact CD1-CB 3.87Å; F9-A135 HydrophobicContact CD2-CB 4.3Å; F9-A135 HydrophobicContact CE1-CB 3.76Å; F9-A135 HydrophobicContact CE2-CB 4.21Å; F9-A135 HydrophobicContact CG-CB 4.17Å; F9-A135 HydrophobicContact CZ-CB 3.96Å; F9-T136 HydrophobicContact CB-CG2 4.38Å; F9-T136 HydrophobicContact CD1-CG2 4.22Å; F9-T136 WeakPolarHBondContact O-CG2 3.33Å; F9-T136 PolarHBondContact O-OG1 2.98Å
10H96.4Very high95.3Very high1 Ų162.1 Ų62.11%0.00531%0.313CS..  trans47.547.7-172.4-64.6-78.3000112.9D8 P12 D13 R14 K15 N39 T41 F63 H117 A138D8-H10 IonicContact OD1-NE2 3.88Å; H10-P12 CarbonylContact O-C 3.57Å; H10-D13 PolarHBondContact O-N 3.22Å; H10-D13 VanDerWaalsContact O-N 3.17Å; H10-R14 HydrophobicContact CB-CB 3.62Å; H10-R14 HydrophobicContact CB-CG 3.73Å; H10-R14 PolarHBondContact CE1-NH2 2.75Å; H10-R14 PolarHBondContact NE2-NH1 2.84Å; H10-R14 PolarHBondContact O-N 3.25Å; H10-K15 PolarHBondContact O-N 3.06Å; H10-N39 PolarHBondContact CE1-ND2 3.16Å; H10-N39 VanDerWaalsContact CE1-ND2 3.34Å; H10-N39 PolarHBondContact N-O 2.94Å; H10-N39 PolarHBondContact NE2-ND2 2.82Å; H10-T41 WeakPolarHBondContact CA-OG1 3.35Å; H10-F63 AromaticContact CE1-CD2 3.54Å; H10-H117 AromaticContact CD2-CE1 3.7Å; H10-H117 AromaticContact CD2-NE2 3.85Å; H10-H117 AromaticContact NE2-CE1 3.65Å; H10-H117 AromaticContact NE2-NE2 3.39Å; H10-H117 PolarHBondContact NE2-NE2 3.42Å; H10-A138 HydrophobicContact CB-CB 4.11Å
11I96.5Very high95.1Very high7 Ų761.9 Ų61.94%0.03632%0.321CS..THydrogen-bonded Turntrans-104.7120.5174.6-64167.2000108.8F9 K15 L18 L40 T41 S42 M45 T136F9-I11 VanDerWaalsContact C-N 3.26Å; F9-I11 HydrophobicContact CB-CD1 4.4Å; F9-I11 HydrophobicContact CB-CG1 4.38Å; F9-I11 HydrophobicContact CD1-CD1 4.24Å; F9-I11 PolarHBondContact O-N 2.89Å; I11-K15 WeakPolarHBondContact CA-O 3.24Å; I11-K15 HydrophobicContact CG1-CB 4.29Å; I11-K15 WeakPolarHBondContact CG1-O 3.34Å; I11-L18 HydrophobicContact CD1-CG 4.37Å; I11-L40 VanDerWaalsContact O-O 3.12Å; I11-T41 PolarHBondContact N-OG1 3.14Å; I11-T41 PolarHBondContact O-OG1 3.32Å; I11-S42 WeakPolarHBondContact O-CB 3.44Å; I11-S42 PolarHBondContact O-OG 3.04Å; I11-M45 HydrophobicContact CB-CG 3.81Å; I11-M45 HydrophobicContact CB-SD 3.93Å; I11-M45 HydrophobicContact CD1-CE 3.98Å; I11-M45 HydrophobicContact CD1-CG 4.4Å; I11-M45 HydrophobicContact CD1-SD 3.62Å; I11-M45 HydrophobicContact CG1-SD 4.38Å; I11-M45 HydrophobicContact CG2-CG 4.12Å; I11-M45 HydrophobicContact CG2-SD 3.88Å; I11-T136 HydrophobicContact CD1-CG2 3.76Å; I11-T136 HydrophobicContact CG1-CG2 4.11Å
12P94.4Very high95.2Very high84 Ų8458.8 Ų58.855%0.54530%0.304SS..THydrogen-bonded Turncis-95.3-2.712.336.4-35.8000115.9H10 R14 K15H10-P12 CarbonylContact O-C 3.57Å; P12-R14 PolarHBondContact O-N 2.94Å; P12-K15 CarbonylContact C-O 3.45Å; P12-K15 WeakPolarHBondContact CA-O 3.38Å
13D93.6Very high95.1Very high107 Ų10757.5 Ų57.557%0.57229%0.294SS*.THydrogen-bonded Turntrans-63.8-42-161-57.9-27.9000114.9H10 T41H10-D13 PolarHBondContact O-N 3.22Å; H10-D13 VanDerWaalsContact O-N 3.17Å; D13-T41 VanDerWaalsContact OD2-CB 3.24Å; D13-T41 WeakPolarHBondContact OD2-CB 3.36Å; D13-T41 WeakPolarHBondContact OD2-CG2 3.44Å
14R94.9Very high94.7Very high82 Ų8260.2 Ų60.231%0.30931%0.311SS..THydrogen-bonded Turntrans-112.7-22.9-179.8-56.4-177.3-171.8166.312.9112.8H10 P12 A138 Y139H10-R14 HydrophobicContact CB-CB 3.62Å; H10-R14 HydrophobicContact CB-CG 3.73Å; H10-R14 PolarHBondContact CE1-NH2 2.75Å; H10-R14 PolarHBondContact NE2-NH1 2.84Å; H10-R14 PolarHBondContact O-N 3.25Å; P12-R14 PolarHBondContact O-N 2.94Å; R14-A138 HydrophobicContact CB-CB 4.02Å; R14-Y139 PolarHBondContact NH1-O 3.15Å
15K95.5Very high94.3Very high78 Ų7865 Ų6534%0.33934%0.336SS..  trans-140.2146.6179.4-66.7-73.4-178.2160.90110.2H10 I11 P12 T136 G137 A138H10-K15 PolarHBondContact O-N 3.06Å; I11-K15 WeakPolarHBondContact CA-O 3.24Å; I11-K15 HydrophobicContact CG1-CB 4.29Å; I11-K15 WeakPolarHBondContact CG1-O 3.34Å; P12-K15 CarbonylContact C-O 3.45Å; P12-K15 WeakPolarHBondContact CA-O 3.38Å; K15-T136 HydrophobicContact CB-CG2 4.36Å; K15-T136 WeakPolarHBondContact CE-O 3.48Å; K15-T136 WeakPolarHBondContact CG-OG1 3.43Å; K15-G137 WeakPolarHBondContact CE-O 3.37Å; K15-G137 PolarHBondContact NZ-O 3.26Å; K15-A138 HydrophobicContact CG-CB 4.04Å
16R94.4Very high93.9Very high237 Ų23763.9 Ų63.989%0.89433%0.329SS*.SBendtrans-81.3-29.7-179.2-63.6-178.1-178173.70.8113.1
17S94.2Very high93.3Very high62 Ų6265.5 Ų65.543%0.43434%0.343SS..SBendtrans-165.3160.6-17559.10000111.2
18L94.3Very high92.8Very high2 Ų270 Ų701%0.0137%0.372CS..  trans-62144.8161-70165.3000110.2F9 I11 F22 K23 L26 M45 Y48 A135 T136F9-L18 HydrophobicContact CD1-CD2 3.74Å; F9-L18 HydrophobicContact CD1-CG 4.16Å; F9-L18 HydrophobicContact CE1-CD1 3.94Å; F9-L18 HydrophobicContact CE1-CD2 3.6Å; F9-L18 HydrophobicContact CE1-CG 4.02Å; I11-L18 HydrophobicContact CD1-CG 4.37Å; L18-F22 HydrophobicContact CD2-CD1 3.99Å; L18-F22 HydrophobicContact CD2-CE1 4.35Å; L18-K23 HydrophobicContact CB-CD 4.37Å; L18-K23 HydrophobicContact CB-CG 3.75Å; L18-K23 HydrophobicContact CD1-CG 4.26Å; L18-K23 WeakPolarHBondContact O-CE 3.33Å; L18-L26 HydrophobicContact CD1-CD1 4.14Å; L18-M45 HydrophobicContact CD1-CE 4.32Å; L18-Y48 HydrophobicContact CD1-CD1 4.26Å; L18-Y48 HydrophobicContact CD1-CE1 3.45Å; L18-Y48 VanDerWaalsContact CD1-CE1 3.45Å; L18-A135 HydrophobicContact CD2-CB 3.9Å; L18-A135 VanDerWaalsContact CD2-O 3.3Å; L18-A135 WeakPolarHBondContact CD2-O 3.42Å; L18-T136 HydrophobicContact CD2-CG2 3.71Å; L18-T136 HydrophobicContact CG-CG2 4.42Å
19H93.7Very high92.4Very high127 Ų12773.4 Ų73.459%0.58841%0.406SS*.  trans-56.1133.2174.3-170.8-89.6000110.4A21 F22 K23H19-A21 VanDerWaalsContact C-N 3.28Å; H19-A21 VanDerWaalsContact ND1-CB 3.35Å; H19-A21 WeakPolarHBondContact ND1-CB 3.34Å; H19-A21 PolarHBondContact ND1-N 3.03Å; H19-A21 VanDerWaalsContact ND1-N 3.2Å; H19-A21 PolarHBondContact O-N 2.87Å; H19-F22 HydrophobicContact CB-CB 4.4Å; H19-F22 WeakPolarHBondContact O-CB 3.19Å; H19-F22 PolarHBondContact O-N 3.24Å; H19-K23 PolarHBondContact O-N 3.23Å; H19-K23 VanDerWaalsContact O-N 3.11Å
20P92.6Very high92Very high90 Ų9080.1 Ų80.158%0.58444%0.436SS*.Hα-helixtrans-54.4-41.5-176-28.635.4000113.7F22 K23 T24P20-F22 PolarHBondContact O-N 2.73Å; P20-K23 WeakPolarHBondContact O-CB 3.43Å; P20-K23 PolarHBondContact O-N 3.36Å; P20-T24 PolarHBondContact O-N 3Å; P20-T24 PolarHBondContact O-OG1 2.91Å
21A91.3Very high91.9Very high59 Ų5981.1 Ų81.149%0.48844%0.441SS..Hα-helixtrans-61.4-33.5177.400000112.7H19H19-A21 VanDerWaalsContact C-N 3.28Å; H19-A21 VanDerWaalsContact ND1-CB 3.35Å; H19-A21 WeakPolarHBondContact ND1-CB 3.34Å; H19-A21 PolarHBondContact ND1-N 3.03Å; H19-A21 VanDerWaalsContact ND1-N 3.2Å; H19-A21 PolarHBondContact O-N 2.87Å
22F90.7Very high91.9Very high70 Ų7084.5 Ų84.531%0.30746%0.456SS..Hα-helixtrans-74.3-38.9177.3-167.3-116.3000111.3I6 L18 H19 P20 T24 L25 L26I6-F22 HydrophobicContact CD1-CE1 3.81Å; I6-F22 HydrophobicContact CD1-CZ 4.27Å; L18-F22 HydrophobicContact CD2-CD1 3.99Å; L18-F22 HydrophobicContact CD2-CE1 4.35Å; H19-F22 HydrophobicContact CB-CB 4.4Å; H19-F22 WeakPolarHBondContact O-CB 3.19Å; H19-F22 PolarHBondContact O-N 3.24Å; P20-F22 PolarHBondContact O-N 2.73Å; F22-T24 PolarHBondContact O-N 2.77Å; F22-L25 HydrophobicContact CD2-CD1 4.17Å; F22-L25 WeakPolarHBondContact O-CB 3.35Å; F22-L25 PolarHBondContact O-N 3.25Å; F22-L26 HydrophobicContact CD1-CD1 4.2Å; F22-L26 HydrophobicContact CE1-CD1 4.06Å; F22-L26 HydrophobicContact CE1-CD2 4.47Å; F22-L26 HydrophobicContact CE1-CG 4.49Å; F22-L26 HydrophobicContact CZ-CD2 4.47Å; F22-L26 PolarHBondContact O-N 3.26Å
23K90.6Very high92Very high78 Ų7882.2 Ų82.234%0.33944%0.438SS..Hα-helixtrans-57-37.9174.4-66.9-173.4176.2-1740112.6L18 H19 P20 L25 L26L18-K23 HydrophobicContact CB-CD 4.37Å; L18-K23 HydrophobicContact CB-CG 3.75Å; L18-K23 HydrophobicContact CD1-CG 4.26Å; L18-K23 WeakPolarHBondContact O-CE 3.33Å; H19-K23 PolarHBondContact O-N 3.23Å; H19-K23 VanDerWaalsContact O-N 3.11Å; P20-K23 WeakPolarHBondContact O-CB 3.43Å; P20-K23 PolarHBondContact O-N 3.36Å; K23-L25 PolarHBondContact O-N 2.86Å; K23-L26 PolarHBondContact O-N 2.92Å; K23-L26 VanDerWaalsContact O-N 3.14Å
24T88.8Confident92.2Very high114 Ų11477.1 Ų77.170%0.69941%0.411SS*.Hα-helixtrans-63.4-28177.5-55.60000112.8P20 F22 L26P20-T24 PolarHBondContact O-N 3Å; P20-T24 PolarHBondContact O-OG1 2.91Å; F22-T24 PolarHBondContact O-N 2.77Å; T24-L26 VanDerWaalsContact C-N 3.35Å
25L88.7Confident92.4Very high129 Ų12973.2 Ų73.268%0.67540%0.396SS*.Hα-helixtrans-76.4-24.2176.5-59.3175.1000112.4F22 K23 A27F22-L25 HydrophobicContact CD2-CD1 4.17Å; F22-L25 WeakPolarHBondContact O-CB 3.35Å; F22-L25 PolarHBondContact O-N 3.25Å; K23-L25 PolarHBondContact O-N 2.86Å; L25-A27 PolarHBondContact O-N 3.49Å
26L90.7Very high92.5Very high11 Ų1169.5 Ų69.56%0.05838%0.38CS..  trans-85.548.3-178.9-57.2-178.5000112.2L4 L18 F22 K23 T24 I31 Y48 I52L4-L26 HydrophobicContact CD1-CD2 4.32Å; L4-L26 HydrophobicContact CD2-CD2 3.68Å; L18-L26 HydrophobicContact CD1-CD1 4.14Å; F22-L26 HydrophobicContact CD1-CD1 4.2Å; F22-L26 HydrophobicContact CE1-CD1 4.06Å; F22-L26 HydrophobicContact CE1-CD2 4.47Å; F22-L26 HydrophobicContact CE1-CG 4.49Å; F22-L26 HydrophobicContact CZ-CD2 4.47Å; F22-L26 PolarHBondContact O-N 3.26Å; K23-L26 PolarHBondContact O-N 2.92Å; K23-L26 VanDerWaalsContact O-N 3.14Å; T24-L26 VanDerWaalsContact C-N 3.35Å; L26-I31 HydrophobicContact CD2-CD1 4.44Å; L26-Y48 HydrophobicContact CD1-CE1 4.25Å; L26-I52 HydrophobicContact CB-CD1 3.79Å; L26-I52 HydrophobicContact CB-CG1 4.33Å; L26-I52 HydrophobicContact CD1-CD1 3.96Å; L26-I52 HydrophobicContact CG-CD1 4.44Å
27A85Confident92.7Very high38 Ų3858.2 Ų58.231%0.31434%0.338SS..  trans-71.6133179.600000111.5L25L25-A27 PolarHBondContact O-N 3.49Å
28P86.9Confident92.9Very high95 Ų9555.2 Ų55.262%0.61732%0.317SS*.THydrogen-bonded Turntrans-58.2154174.9-23.933.2000113.3K30P28-K30 VanDerWaalsContact C-N 3.31Å; P28-K30 PolarHBondContact O-N 3.24Å
29G89.1Confident93.1Very high70 Ų7055.2 Ų55.272%0.72232%0.317SS*.THydrogen-bonded Turntrans85.8-13.4174.100000115.7
30K90.3Very high93.3Very high142 Ų14249.1 Ų49.162%0.61729%0.289SS*.SBendtrans-92.4-30.9174.7-67-174.3180179.40113.6P28 Q32P28-K30 VanDerWaalsContact C-N 3.31Å; P28-K30 PolarHBondContact O-N 3.24Å; K30-Q32 VanDerWaalsContact C-NE2 3.35Å; K30-Q32 PolarHBondContact O-NE2 2.92Å
31I94.6Very high93.4Very high22 Ų2246 Ų4611%0.11327%0.268CS..  trans-97.7126.2-175.4-62.7158.2000109L4 L26 H33 I34 I52 C53L4-I31 HydrophobicContact CB-CD1 4.23Å; L4-I31 HydrophobicContact CB-CG1 4.46Å; L4-I31 HydrophobicContact CB-CG2 3.79Å; L4-I31 HydrophobicContact CD2-CD1 4.06Å; L26-I31 HydrophobicContact CD2-CD1 4.44Å; I31-H33 WeakPolarHBondContact CG2-O 3.39Å; I31-I34 HydrophobicContact CG2-CG1 3.83Å; I31-I52 HydrophobicContact CD1-CG2 3.77Å; I31-C53 HydrophobicContact CG2-CB 4.38Å; I31-C53 PolarHBondContact O-SG 3.2Å
32Q95.1Very high93.6Very high77 Ų7744.3 Ų44.336%0.3625%0.253SS..SBendtrans-95.5-26.3-179.6-73.975.763.200113M1 L2 K30 C53M1-Q32 HydrophobicContact CG-CB 4.17Å; L2-Q32 PolarHBondContact O-N 3.11Å; K30-Q32 VanDerWaalsContact C-NE2 3.35Å; K30-Q32 PolarHBondContact O-NE2 2.92Å; Q32-C53 PolarHBondContact O-SG 3.19Å
33H97.2Very high93.8Very high36 Ų3646.9 Ų46.917%0.16726%0.264CS..EExtended strand (participates in β ladder)trans-140.3140.1177.5-56.5-82.3000110.1L2 V3 L4 I31 D55L2-H33 PolarHBondContact O-N 3.3Å; V3-H33 WeakPolarHBondContact CA-O 3.44Å; V3-H33 HydrophobicContact CG1-CB 4.12Å; V3-H33 HydrophobicContact CG2-CB 4.23Å; L4-H33 PolarHBondContact N-O 3.14Å; I31-H33 WeakPolarHBondContact CG2-O 3.39Å; H33-D55 IonicContact CE1-OD2 3.25Å; H33-D55 PolarHBondContact CE1-OD2 3.05Å; H33-D55 VanDerWaalsContact CE1-OD2 3.25Å; H33-D55 IonicContact CG-OD2 3.83Å; H33-D55 IonicContact ND1-OD2 3.12Å; H33-D55 PolarHBondContact ND1-OD2 3.44Å
34I98.1Very high94Very high0 Ų050 Ų500%028%0.275CS..EExtended strand (participates in β ladder)trans-115.6123.7167.7-60.1-179.1000108.9L4 I6 I31 L49 I52 C53 D55 V56 H57L4-I34 HydrophobicContact CB-CG1 4.23Å; L4-I34 HydrophobicContact CD2-CD1 4.24Å; L4-I34 HydrophobicContact CD2-CG1 4.19Å; L4-I34 HydrophobicContact CD2-CG2 4.4Å; L4-I34 CarbonylContact O-C 3.46Å; L4-I34 WeakPolarHBondContact O-CA 3.38Å; I6-I34 HydrophobicContact CG2-CG2 3.84Å; I31-I34 HydrophobicContact CG2-CG1 3.83Å; I34-L49 HydrophobicContact CD1-CB 4.31Å; I34-L49 HydrophobicContact CD1-CD2 4.28Å; I34-L49 HydrophobicContact CG2-CD1 4.35Å; I34-L49 HydrophobicContact CG2-CD2 4.35Å; I34-I52 HydrophobicContact CD1-CB 4.05Å; I34-I52 HydrophobicContact CD1-CG2 4.03Å; I34-C53 HydrophobicContact CD1-CB 3.58Å; I34-C53 HydrophobicContact CG1-CB 3.71Å; I34-D55 PolarHBondContact N-O 3.48Å; I34-V56 HydrophobicContact CB-CB 4.47Å; I34-V56 HydrophobicContact CB-CG1 4.22Å; I34-V56 HydrophobicContact CB-CG2 4.2Å; I34-V56 HydrophobicContact CD1-CG2 4.25Å; I34-V56 HydrophobicContact CG2-CG1 4.24Å; I34-H57 PolarHBondContact O-N 3.33Å
35L98.6Very high94.3Very high0 Ų044.8 Ų44.80%024%0.242CC..EExtended strand (participates in β ladder)trans-110.2108174.6-50.1-175.2000108.2V3 L4 V5 I6 H57 L75 I82 L84 I112V3-L35 HydrophobicContact CG1-CD1 3.74Å; V3-L35 HydrophobicContact CG1-CG 3.77Å; L4-L35 PolarHBondContact O-N 3.01Å; V5-L35 WeakPolarHBondContact CA-O 3.4Å; I6-L35 PolarHBondContact N-O 3.27Å; L35-H57 HydrophobicContact CD2-CB 3.87Å; L35-L75 HydrophobicContact CD2-CD1 3.53Å; L35-L75 HydrophobicContact CD2-CD2 4.27Å; L35-I82 HydrophobicContact CD1-CD1 4.02Å; L35-I82 HydrophobicContact CD1-CG2 4.05Å; L35-L84 HydrophobicContact CB-CD1 4.41Å; L35-L84 HydrophobicContact CB-CD2 4.29Å; L35-I112 HydrophobicContact CB-CD1 4.34Å; L35-I112 HydrophobicContact CD1-CD1 3.51Å
36C98.5Very high94.7Very high0 Ų041.7 Ų41.70%022%0.222CC..EExtended strand (participates in β ladder)trans-104.2120.8-175-167.90000111.3I6 G38 L49 H57 V58 V59I6-C36 HydrophobicContact CG2-CB 4.39Å; I6-C36 CarbonylContact O-C 3.53Å; I6-C36 WeakPolarHBondContact O-CA 3.47Å; C36-G38 PolarHBondContact O-N 3.21Å; C36-L49 HydrophobicContact CB-CD1 4.25Å; C36-H57 PolarHBondContact N-O 2.89Å; C36-V58 HydrophobicContact CB-CB 4.2Å; C36-V58 HydrophobicContact CB-CG1 4.01Å; C36-V58 HydrophobicContact CB-CG2 3.86Å; C36-V59 PolarHBondContact O-N 3.29Å
37T98.5Very high94.9Very high0 Ų044.3 Ų44.30%024%0.236CC..  trans-77.719179.754.50000113.5I6 G7 L84 H86 I112 P132I6-T37 PolarHBondContact O-N 2.95Å; I6-T37 PolarHBondContact O-OG1 2.75Å; G7-T37 WeakPolarHBondContact CA-OG1 3.3Å; T37-L84 HydrophobicContact CG2-CD1 3.79Å; T37-H86 WeakPolarHBondContact O-CA 3.28Å; T37-H86 WeakPolarHBondContact O-CB 3.36Å; T37-H86 PolarHBondContact O-ND1 2.96Å; T37-I112 HydrophobicContact CG2-CG2 3.63Å; T37-P132 HydrophobicContact CG2-CG 4.16Å
38G98.2Very high95.4Very high0 Ų044.5 Ų44.50%023%0.229CC..SBendtrans80.7-164.7-179.500000115D8 C36 L40 V59 D64D8-G38 PolarHBondContact N-O 3.39Å; C36-G38 PolarHBondContact O-N 3.21Å; G38-L40 VanDerWaalsContact C-N 3.29Å; G38-L40 PolarHBondContact O-N 2.77Å; G38-V59 WeakPolarHBondContact CA-O 3.32Å; G38-V59 PolarHBondContact N-O 3.37Å; G38-D64 WeakPolarHBondContact CA-OD2 3.38Å
39N97.8Very high95.8Very high1 Ų140 Ų401%0.00520%0.199CC..  trans52.646.1-170.6-77.6-14.9000112.4D8 F9 H10 G61 D62 F63 D64 H86D8-N39 WeakPolarHBondContact OD1-CB 3.45Å; D8-N39 PolarHBondContact OD1-ND2 2.71Å; D8-N39 VanDerWaalsContact OD1-ND2 3.1Å; F9-N39 PolarHBondContact N-O 3.37Å; H10-N39 PolarHBondContact CE1-ND2 3.16Å; H10-N39 VanDerWaalsContact CE1-ND2 3.34Å; H10-N39 PolarHBondContact N-O 2.94Å; H10-N39 PolarHBondContact NE2-ND2 2.82Å; N39-G61 WeakPolarHBondContact OD1-CA 3.39Å; N39-D62 PolarHBondContact ND2-OD1 2.82Å; N39-D62 PolarHBondContact OD1-N 3.33Å; N39-D62 PolarHBondContact OD1-OD1 2.84Å; N39-F63 PolarHBondContact OD1-N 3.23Å; N39-D64 WeakPolarHBondContact CA-OD1 3.45Å; N39-D64 WeakPolarHBondContact CA-OD2 3.3Å; N39-D64 PolarHBondContact N-OD2 2.92Å; N39-H86 PolarHBondContact ND2-CE1 2.78Å; N39-H86 PolarHBondContact ND2-NE2 3.14Å
40L97.7Very high96.2Very high0 Ų040.2 Ų40.20%018%0.181CC..  trans-74.7-31.4169-71.5173.8000111.6F9 I11 G38 S42 M45 Y46 L49 V58 D64 L67 F69F9-L40 HydrophobicContact CD2-CD2 3.38Å; F9-L40 HydrophobicContact CD2-CG 4.47Å; F9-L40 HydrophobicContact CE2-CD2 3.52Å; F9-L40 HydrophobicContact CG-CD2 4.06Å; F9-L40 HydrophobicContact CZ-CD2 4.3Å; I11-L40 VanDerWaalsContact O-O 3.12Å; G38-L40 VanDerWaalsContact C-N 3.29Å; G38-L40 PolarHBondContact O-N 2.77Å; L40-S42 PolarHBondContact O-N 2.96Å; L40-M45 HydrophobicContact CB-CB 4.16Å; L40-M45 HydrophobicContact CD2-CB 3.81Å; L40-Y46 HydrophobicContact CD1-CD2 4.46Å; L40-L49 HydrophobicContact CD1-CD1 4.41Å; L40-L49 HydrophobicContact CD2-CD1 3.85Å; L40-V58 HydrophobicContact CD1-CG1 3.81Å; L40-V58 HydrophobicContact CD1-CG2 4.26Å; L40-D64 PolarHBondContact N-OD1 2.89Å; L40-L67 HydrophobicContact CB-CD1 4.37Å; L40-F69 HydrophobicContact CD1-CE2 4.04Å; L40-F69 HydrophobicContact CD1-CZ 4.29Å
41T95.7Very high96.4Very high24 Ų2440 Ų4015%0.14719%0.185CC..  trans60.3-11.2178.859.30000116.1H10 I11 D13 F63 D64H10-T41 WeakPolarHBondContact CA-OG1 3.35Å; I11-T41 PolarHBondContact N-OG1 3.14Å; I11-T41 PolarHBondContact O-OG1 3.32Å; D13-T41 VanDerWaalsContact OD2-CB 3.24Å; D13-T41 WeakPolarHBondContact OD2-CB 3.36Å; D13-T41 WeakPolarHBondContact OD2-CG2 3.44Å; T41-F63 HydrophobicContact CG2-CB 3.79Å; T41-D64 PolarHBondContact N-OD1 3.37Å
42S94.3Very high96.4Very high24 Ų2439.3 Ų39.317%0.16818%0.182CC..SBendtrans-147.8146177.464.90000112.6I11 L40 Y44 M45I11-S42 WeakPolarHBondContact O-CB 3.44Å; I11-S42 PolarHBondContact O-OG 3.04Å; L40-S42 PolarHBondContact O-N 2.96Å; S42-Y44 PolarHBondContact O-N 2.78Å; S42-M45 PolarHBondContact O-N 2.98Å; S42-M45 VanDerWaalsContact O-N 3.15Å; S42-M45 PolarHBondContact OG-N 3.18Å
43K94.9Very high96.4Very high123 Ų12336.1 Ų36.154%0.53517%0.168SC..Hα-helixtrans-58.6-32.5171.2-171.5-172.3179.3-56.40111.7M45 Y46 D47 L67K43-M45 VanDerWaalsContact C-N 3.27Å; K43-M45 PolarHBondContact O-N 3.13Å; K43-Y46 WeakPolarHBondContact O-CB 3.45Å; K43-Y46 PolarHBondContact O-N 2.95Å; K43-Y46 VanDerWaalsContact O-N 3.1Å; K43-D47 IonicContact NZ-OD1 2.73Å; K43-D47 PolarHBondContact NZ-OD1 2.65Å; K43-D47 IonicContact NZ-OD2 2.7Å; K43-D47 PolarHBondContact NZ-OD2 3.33Å; K43-D47 PolarHBondContact O-N 3.26Å; K43-L67 HydrophobicContact CB-CD2 4.26Å
44Y94.8Very high96.3Very high145 Ų14537.4 Ų37.457%0.56919%0.191SC*.Hα-helixtrans-53.6-43.9175.4169.5-98.5000112.3S42 D47 Y48S42-Y44 PolarHBondContact O-N 2.78Å; Y44-D47 PolarHBondContact O-N 3.12Å; Y44-Y48 WeakPolarHBondContact O-CB 3.05Å; Y44-Y48 PolarHBondContact O-N 3.06Å
45M95.5Very high96.2Very high4 Ų440.3 Ų40.32%0.0221%0.207CC..Hα-helixtrans-69.7-35.2178.8-70.4-49.8-50.400112.6F9 I11 L18 L40 S42 K43 Y48 L49F9-M45 HydrophobicContact CD1-CE 3.52Å; F9-M45 HydrophobicContact CE1-CE 3.66Å; F9-M45 HydrophobicContact CG-CE 4.31Å; I11-M45 HydrophobicContact CB-CG 3.81Å; I11-M45 HydrophobicContact CB-SD 3.93Å; I11-M45 HydrophobicContact CD1-CE 3.98Å; I11-M45 HydrophobicContact CD1-CG 4.4Å; I11-M45 HydrophobicContact CD1-SD 3.62Å; I11-M45 HydrophobicContact CG1-SD 4.38Å; I11-M45 HydrophobicContact CG2-CG 4.12Å; I11-M45 HydrophobicContact CG2-SD 3.88Å; L18-M45 HydrophobicContact CD1-CE 4.32Å; L40-M45 HydrophobicContact CB-CB 4.16Å; L40-M45 HydrophobicContact CD2-CB 3.81Å; S42-M45 PolarHBondContact O-N 2.98Å; S42-M45 VanDerWaalsContact O-N 3.15Å; S42-M45 PolarHBondContact OG-N 3.18Å; K43-M45 VanDerWaalsContact C-N 3.27Å; K43-M45 PolarHBondContact O-N 3.13Å; M45-Y48 HydrophobicContact CE-CD1 3.79Å; M45-Y48 HydrophobicContact CE-CE1 4.49Å; M45-Y48 HydrophobicContact CE-CG 4.4Å; M45-Y48 PolarHBondContact O-N 3.46Å; M45-L49 WeakPolarHBondContact O-CG 3.33Å; M45-L49 PolarHBondContact O-N 2.83Å; M45-L49 VanDerWaalsContact O-N 3.08Å
46Y96.4Very high96.2Very high64 Ų6440.9 Ų40.925%0.25121%0.21SC..Hα-helixtrans-62.2-47171.9177.1-108.2000111.9L40 K43 Y48 L49 K50 V56 V58 F69L40-Y46 HydrophobicContact CD1-CD2 4.46Å; K43-Y46 WeakPolarHBondContact O-CB 3.45Å; K43-Y46 PolarHBondContact O-N 2.95Å; K43-Y46 VanDerWaalsContact O-N 3.1Å; Y46-Y48 VanDerWaalsContact C-N 3.29Å; Y46-Y48 PolarHBondContact O-N 3.28Å; Y46-L49 PolarHBondContact O-N 2.96Å; Y46-K50 HydrophobicContact CE1-CG 4.22Å; Y46-K50 HydrophobicContact CE2-CG 4.45Å; Y46-K50 PolarHBondContact O-N 2.98Å; Y46-K50 WeakPolarHBondContact OH-CE 3.44Å; Y46-V56 HydrophobicContact CE2-CG1 4.32Å; Y46-V58 HydrophobicContact CD2-CG2 3.86Å; Y46-V58 HydrophobicContact CE2-CG2 3.9Å; Y46-F69 HydrophobicContact CD2-CE1 4.07Å; Y46-F69 AromaticContact CD2-CZ 3.8Å; Y46-F69 HydrophobicContact CD2-CZ 3.8Å; Y46-F69 HydrophobicContact CE2-CE1 4.11Å; Y46-F69 HydrophobicContact CE2-CZ 4.32Å; Y46-F69 HydrophobicContact CG-CZ 4.08Å
47D95.7Very high96.2Very high66 Ų6642 Ų4235%0.35322%0.215SC..Hα-helixtrans-62.3-38.1177.5-64.9-20.1000111.1K43 Y44 K50 L51K43-D47 IonicContact NZ-OD1 2.73Å; K43-D47 PolarHBondContact NZ-OD1 2.65Å; K43-D47 IonicContact NZ-OD2 2.7Å; K43-D47 PolarHBondContact NZ-OD2 3.33Å; K43-D47 PolarHBondContact O-N 3.26Å; Y44-D47 PolarHBondContact O-N 3.12Å; D47-K50 WeakPolarHBondContact O-CB 3.48Å; D47-K50 PolarHBondContact O-N 3.06Å; D47-L51 PolarHBondContact O-N 3.47Å; D47-L51 VanDerWaalsContact O-N 3.12Å
48Y95Very high96.1Very high41 Ų4142.3 Ų42.316%0.16122%0.217CC..Hα-helixtrans-60.3-44.2173.8174.5-103000112.6L18 L26 Y44 M45 Y46 K50 L51 I52L18-Y48 HydrophobicContact CD1-CD1 4.26Å; L18-Y48 HydrophobicContact CD1-CE1 3.45Å; L18-Y48 VanDerWaalsContact CD1-CE1 3.45Å; L26-Y48 HydrophobicContact CD1-CE1 4.25Å; Y44-Y48 WeakPolarHBondContact O-CB 3.05Å; Y44-Y48 PolarHBondContact O-N 3.06Å; M45-Y48 HydrophobicContact CE-CD1 3.79Å; M45-Y48 HydrophobicContact CE-CE1 4.49Å; M45-Y48 HydrophobicContact CE-CG 4.4Å; M45-Y48 PolarHBondContact O-N 3.46Å; Y46-Y48 VanDerWaalsContact C-N 3.29Å; Y46-Y48 PolarHBondContact O-N 3.28Å; Y48-K50 VanDerWaalsContact C-N 3.3Å; Y48-K50 PolarHBondContact O-N 3.21Å; Y48-L51 WeakPolarHBondContact O-CB 3.16Å; Y48-L51 PolarHBondContact O-N 2.81Å; Y48-I52 HydrophobicContact CD1-CD1 4.06Å; Y48-I52 HydrophobicContact CE1-CD1 3.54Å; Y48-I52 PolarHBondContact O-N 3.2Å
49L96.4Very high96.2Very high0 Ų042.3 Ų42.30%022%0.217CC..Hα-helixtrans-63.2-37.9175.5-67178.3000111.9I6 F9 I34 C36 L40 M45 Y46 L51 I52 C53 V56I6-L49 HydrophobicContact CG2-CD2 4.41Å; F9-L49 HydrophobicContact CE2-CD1 4.47Å; F9-L49 HydrophobicContact CZ-CD1 4.46Å; F9-L49 HydrophobicContact CZ-CD2 4.08Å; I34-L49 HydrophobicContact CD1-CB 4.31Å; I34-L49 HydrophobicContact CD1-CD2 4.28Å; I34-L49 HydrophobicContact CG2-CD1 4.35Å; I34-L49 HydrophobicContact CG2-CD2 4.35Å; C36-L49 HydrophobicContact CB-CD1 4.25Å; L40-L49 HydrophobicContact CD1-CD1 4.41Å; L40-L49 HydrophobicContact CD2-CD1 3.85Å; M45-L49 WeakPolarHBondContact O-CG 3.33Å; M45-L49 PolarHBondContact O-N 2.83Å; M45-L49 VanDerWaalsContact O-N 3.08Å; Y46-L49 PolarHBondContact O-N 2.96Å; L49-L51 VanDerWaalsContact C-N 3.26Å; L49-L51 PolarHBondContact O-N 3.11Å; L49-I52 HydrophobicContact CD2-CD1 4.27Å; L49-I52 WeakPolarHBondContact O-CB 3.47Å; L49-I52 PolarHBondContact O-N 3.35Å; L49-C53 PolarHBondContact O-N 3.4Å; L49-C53 VanDerWaalsContact O-N 3.11Å; L49-V56 HydrophobicContact CB-CG1 4.1Å; L49-V56 HydrophobicContact CB-CG2 4.41Å; L49-V56 HydrophobicContact CD1-CG1 4.39Å
50K96.1Very high96.2Very high76 Ų7644.8 Ų44.833%0.3323%0.228SC..Hα-helixtrans-65.2-25.4175.9-76-73.3-179-173.80113.9Y46 D47 Y48 I52 C53 G54 V56Y46-K50 HydrophobicContact CE1-CG 4.22Å; Y46-K50 HydrophobicContact CE2-CG 4.45Å; Y46-K50 PolarHBondContact O-N 2.98Å; Y46-K50 WeakPolarHBondContact OH-CE 3.44Å; D47-K50 WeakPolarHBondContact O-CB 3.48Å; D47-K50 PolarHBondContact O-N 3.06Å; Y48-K50 VanDerWaalsContact C-N 3.3Å; Y48-K50 PolarHBondContact O-N 3.21Å; K50-I52 VanDerWaalsContact C-N 3.34Å; K50-C53 CarbonylContact C-O 3.55Å; K50-C53 WeakPolarHBondContact CA-O 3.24Å; K50-G54 PolarHBondContact NZ-O 3.33Å; K50-V56 HydrophobicContact CD-CB 4.13Å; K50-V56 HydrophobicContact CD-CG2 3.79Å; K50-V56 HydrophobicContact CG-CG2 4.24Å
51L95Very high96.2Very high136 Ų13645 Ų4571%0.71223%0.229SC*.Hα-helixtrans-72.9-27.2171.8-67.6173.6000112.7D47 Y48 L49D47-L51 PolarHBondContact O-N 3.47Å; D47-L51 VanDerWaalsContact O-N 3.12Å; Y48-L51 WeakPolarHBondContact O-CB 3.16Å; Y48-L51 PolarHBondContact O-N 2.81Å; L49-L51 VanDerWaalsContact C-N 3.26Å; L49-L51 PolarHBondContact O-N 3.11Å
52I94.7Very high96.2Very high8 Ų846.4 Ų46.44%0.04124%0.236CC..Hα-helixtrans-79.8-44179-62.5161.2000110.4L26 I31 I34 Y48 L49 K50L26-I52 HydrophobicContact CB-CD1 3.79Å; L26-I52 HydrophobicContact CB-CG1 4.33Å; L26-I52 HydrophobicContact CD1-CD1 3.96Å; L26-I52 HydrophobicContact CG-CD1 4.44Å; I31-I52 HydrophobicContact CD1-CG2 3.77Å; I34-I52 HydrophobicContact CD1-CB 4.05Å; I34-I52 HydrophobicContact CD1-CG2 4.03Å; Y48-I52 HydrophobicContact CD1-CD1 4.06Å; Y48-I52 HydrophobicContact CE1-CD1 3.54Å; Y48-I52 PolarHBondContact O-N 3.2Å; L49-I52 HydrophobicContact CD2-CD1 4.27Å; L49-I52 WeakPolarHBondContact O-CB 3.47Å; L49-I52 PolarHBondContact O-N 3.35Å; K50-I52 VanDerWaalsContact C-N 3.34Å
53C95.4Very high96.3Very high11 Ų1149.8 Ų49.87%0.07425%0.248CC..  trans-145.6138.9-176.5-171.20000110.6I31 Q32 I34 L49 K50 D55 V56I31-C53 HydrophobicContact CG2-CB 4.38Å; I31-C53 PolarHBondContact O-SG 3.2Å; Q32-C53 PolarHBondContact O-SG 3.19Å; I34-C53 HydrophobicContact CD1-CB 3.58Å; I34-C53 HydrophobicContact CG1-CB 3.71Å; L49-C53 PolarHBondContact O-N 3.4Å; L49-C53 VanDerWaalsContact O-N 3.11Å; K50-C53 CarbonylContact C-O 3.55Å; K50-C53 WeakPolarHBondContact CA-O 3.24Å; C53-D55 VanDerWaalsContact C-N 3.32Å; C53-V56 WeakPolarHBondContact O-CG2 3.37Å
54G94.4Very high96.4Very high62 Ų6244 Ų4464%0.63922%0.223SC*.SBendtrans-67.7-33.5175.500000112.9K50K50-G54 PolarHBondContact NZ-O 3.33Å
55D96.6Very high96.1Very high62 Ų6244.9 Ų44.933%0.33223%0.232SC..  trans-97.5102.4-177.6-163.831.1000111.6H33 I34 C53 H57H33-D55 IonicContact CE1-OD2 3.25Å; H33-D55 PolarHBondContact CE1-OD2 3.05Å; H33-D55 VanDerWaalsContact CE1-OD2 3.25Å; H33-D55 IonicContact CG-OD2 3.83Å; H33-D55 IonicContact ND1-OD2 3.12Å; H33-D55 PolarHBondContact ND1-OD2 3.44Å; I34-D55 PolarHBondContact N-O 3.48Å; C53-D55 VanDerWaalsContact C-N 3.32Å; D55-H57 IonicContact OD1-CD2 3.96Å; D55-H57 IonicContact OD1-NE2 3.26Å; D55-H57 PolarHBondContact OD1-NE2 2.93Å; D55-H57 VanDerWaalsContact OD1-NE2 3.12Å; D55-H57 IonicContact OD2-CD2 3.79Å; D55-H57 IonicContact OD2-NE2 2.94Å; D55-H57 PolarHBondContact OD2-NE2 3.33Å
56V97.8Very high95.8Very high11 Ų1149.7 Ų49.77%0.06727%0.272CS..EExtended strand (participates in β ladder)trans-131.2122.1-173.1-176.30000108.2I34 Y46 L49 K50 C53 V58I34-V56 HydrophobicContact CB-CB 4.47Å; I34-V56 HydrophobicContact CB-CG1 4.22Å; I34-V56 HydrophobicContact CB-CG2 4.2Å; I34-V56 HydrophobicContact CD1-CG2 4.25Å; I34-V56 HydrophobicContact CG2-CG1 4.24Å; Y46-V56 HydrophobicContact CE2-CG1 4.32Å; L49-V56 HydrophobicContact CB-CG1 4.1Å; L49-V56 HydrophobicContact CB-CG2 4.41Å; L49-V56 HydrophobicContact CD1-CG1 4.39Å; K50-V56 HydrophobicContact CD-CB 4.13Å; K50-V56 HydrophobicContact CD-CG2 3.79Å; K50-V56 HydrophobicContact CG-CG2 4.24Å; C53-V56 WeakPolarHBondContact O-CG2 3.37Å; V56-V58 HydrophobicContact CG1-CG2 3.85Å
57H98.4Very high95.6Very high24 Ų2447.9 Ų47.911%0.11127%0.267CS..EExtended strand (participates in β ladder)trans-112.6123.9178.1-62.4-110.4000107.9I34 L35 C36 D55 K73 L84I34-H57 PolarHBondContact O-N 3.33Å; L35-H57 HydrophobicContact CD2-CB 3.87Å; C36-H57 PolarHBondContact N-O 2.89Å; D55-H57 IonicContact OD1-CD2 3.96Å; D55-H57 IonicContact OD1-NE2 3.26Å; D55-H57 PolarHBondContact OD1-NE2 2.93Å; D55-H57 VanDerWaalsContact OD1-NE2 3.12Å; D55-H57 IonicContact OD2-CD2 3.79Å; D55-H57 IonicContact OD2-NE2 2.94Å; D55-H57 PolarHBondContact OD2-NE2 3.33Å; H57-K73 HydrophobicContact CB-CD 4.15Å; H57-K73 WeakPolarHBondContact ND1-CE 3.4Å; H57-K73 PolarHBondContact ND1-NZ 3.31Å; H57-L84 HydrophobicContact CB-CD2 4.34Å
58V98.4Very high95.5Very high7 Ų752.4 Ų52.44%0.04229%0.291CS..EExtended strand (participates in β ladder)trans-126.8142-179.8-169.80000108.6C36 L40 Y46 V56 F69C36-V58 HydrophobicContact CB-CB 4.2Å; C36-V58 HydrophobicContact CB-CG1 4.01Å; C36-V58 HydrophobicContact CB-CG2 3.86Å; L40-V58 HydrophobicContact CD1-CG1 3.81Å; L40-V58 HydrophobicContact CD1-CG2 4.26Å; Y46-V58 HydrophobicContact CD2-CG2 3.86Å; Y46-V58 HydrophobicContact CE2-CG2 3.9Å; V56-V58 HydrophobicContact CG1-CG2 3.85Å; V58-F69 HydrophobicContact CB-CD1 4.03Å; V58-F69 HydrophobicContact CB-CD2 4.25Å; V58-F69 HydrophobicContact CB-CE1 4.06Å; V58-F69 HydrophobicContact CB-CE2 4.26Å; V58-F69 HydrophobicContact CB-CG 4.13Å; V58-F69 HydrophobicContact CB-CZ 4.18Å; V58-F69 HydrophobicContact CG1-CD1 4.28Å; V58-F69 HydrophobicContact CG1-CD2 3.59Å; V58-F69 HydrophobicContact CG1-CE1 4.32Å; V58-F69 HydrophobicContact CG1-CE2 3.63Å; V58-F69 HydrophobicContact CG1-CG 3.94Å; V58-F69 HydrophobicContact CG1-CZ 4.01Å; V58-F69 HydrophobicContact CG2-CE1 4.42Å; V58-F69 HydrophobicContact CG2-CZ 4.41Å
59V98.6Very high95.6Very high0 Ų052 Ų520%029%0.29CS..  trans-112.5157.4166.1-68.30000110.5C36 G38 G61 P70 K73 L84 I85C36-V59 PolarHBondContact O-N 3.29Å; G38-V59 WeakPolarHBondContact CA-O 3.32Å; G38-V59 PolarHBondContact N-O 3.37Å; V59-G61 PolarHBondContact O-N 3.25Å; V59-P70 CarbonylContact C-O 3.56Å; V59-P70 WeakPolarHBondContact CA-O 3.4Å; V59-P70 WeakPolarHBondContact CB-O 3.47Å; V59-K73 HydrophobicContact CG1-CB 3.82Å; V59-L84 HydrophobicContact CB-CG 4.44Å; V59-L84 HydrophobicContact CG1-CB 4.22Å; V59-L84 HydrophobicContact CG1-CD2 3.95Å; V59-L84 HydrophobicContact CG1-CG 3.77Å; V59-L84 WeakPolarHBondContact CG1-O 3.47Å; V59-L84 HydrophobicContact CG2-CD1 4.42Å; V59-L84 HydrophobicContact CG2-CD2 4.32Å; V59-L84 HydrophobicContact CG2-CG 3.84Å; V59-I85 VanDerWaalsContact CG2-C 3.48Å
60K98.3Very high95.7Very high53 Ų5355 Ų5523%0.2331%0.309CS..  trans-76.4119.6-175.7-166.3168.2-174.2151.30111.2D64 E65 L67 F69 P70 L71 H86K60-D64 WeakPolarHBondContact CE-O 3.32Å; K60-D64 HydrophobicContact CG-CB 3.95Å; K60-E65 PolarHBondContact NZ-O 2.93Å; K60-L67 PolarHBondContact NZ-O 3.12Å; K60-L67 VanDerWaalsContact NZ-O 3.11Å; K60-F69 HydrophobicContact CB-CB 3.99Å; K60-F69 WeakPolarHBondContact CB-O 3.19Å; K60-P70 PolarHBondContact N-O 2.85Å; K60-L71 HydrophobicContact CB-CD2 4.27Å; K60-H86 WeakPolarHBondContact O-CB 3.48Å
61G97.6Very high95.8Very high3 Ų355.7 Ų55.73%0.03132%0.317CS..  trans-78.9166.816500000112.7N39 V59 F63 D64 H86N39-G61 WeakPolarHBondContact OD1-CA 3.39Å; V59-G61 PolarHBondContact O-N 3.25Å; G61-F63 PolarHBondContact O-N 3.04Å; G61-D64 WeakPolarHBondContact CA-OD2 3.38Å; G61-D64 PolarHBondContact N-OD2 3.31Å; G61-D64 PolarHBondContact O-N 2.91Å; G61-H86 VanDerWaalsContact CA-CD2 3.42Å; G61-H86 WeakPolarHBondContact CA-CD2 3.48Å; G61-H86 VanDerWaalsContact CA-CG 3.47Å
62D96.1Very high96Very high54 Ų5452 Ų5229%0.28930%0.3SS..THydrogen-bonded Turntrans-66.8-17.4179.257.2-30.9000113.2N39 H86 H88 H115N39-D62 PolarHBondContact ND2-OD1 2.82Å; N39-D62 PolarHBondContact OD1-N 3.33Å; N39-D62 PolarHBondContact OD1-OD1 2.84Å; D62-H86 IonicContact OD1-CD2 3.19Å; D62-H86 IonicContact OD1-NE2 3.73Å; D62-H86 PolarHBondContact OD1-NE2 3.23Å; D62-H88 HydrophobicContact CB-CB 4.18Å; D62-H115 IonicContact OD1-ND1 3.85Å; D62-H115 IonicContact OD2-CE1 3.74Å; D62-H115 PolarHBondContact OD2-CE1 2.67Å; D62-H115 IonicContact OD2-ND1 3.41Å
63F96.4Very high96.1Very high96 Ų9655 Ų5542%0.42131%0.312SS..THydrogen-bonded Turntrans-105.78174.7-64-89000114.1H10 N39 T41 G61 E65H10-F63 AromaticContact CE1-CD2 3.54Å; N39-F63 PolarHBondContact OD1-N 3.23Å; T41-F63 HydrophobicContact CG2-CB 3.79Å; G61-F63 PolarHBondContact O-N 3.04Å; F63-E65 VanDerWaalsContact C-N 3.3Å; F63-E65 PolarHBondContact O-N 3.34Å
64D96.7Very high96.3Very high1 Ų157.4 Ų57.41%0.00533%0.327CS..  trans-92.231.8179.7-69.9-36.1000112.6G38 N39 L40 T41 K60 G61 A66 L67G38-D64 WeakPolarHBondContact CA-OD2 3.38Å; N39-D64 WeakPolarHBondContact CA-OD1 3.45Å; N39-D64 WeakPolarHBondContact CA-OD2 3.3Å; N39-D64 PolarHBondContact N-OD2 2.92Å; L40-D64 PolarHBondContact N-OD1 2.89Å; T41-D64 PolarHBondContact N-OD1 3.37Å; K60-D64 WeakPolarHBondContact CE-O 3.32Å; K60-D64 HydrophobicContact CG-CB 3.95Å; G61-D64 WeakPolarHBondContact CA-OD2 3.38Å; G61-D64 PolarHBondContact N-OD2 3.31Å; G61-D64 PolarHBondContact O-N 2.91Å; D64-A66 VanDerWaalsContact C-N 3.3Å; D64-A66 PolarHBondContact O-N 3.4Å; D64-A66 VanDerWaalsContact O-N 3.15Å; D64-L67 HydrophobicContact CB-CB 4.34Å; D64-L67 HydrophobicContact CB-CD1 4.42Å; D64-L67 PolarHBondContact O-N 3.33Å
65E88.9Confident96.5Very high164 Ų16455.3 Ų55.377%0.76630%0.301SS*.THydrogen-bonded Turntrans-50.7-45.8-169.4-69-174.1179.500113.8K60 F63 L67K60-E65 PolarHBondContact NZ-O 2.93Å; F63-E65 VanDerWaalsContact C-N 3.3Å; F63-E65 PolarHBondContact O-N 3.34Å; E65-L67 PolarHBondContact O-N 3.15Å
66A89.2Confident96.5Very high104 Ų10456.9 Ų56.986%0.8632%0.316SS*.THydrogen-bonded Turntrans-78.2-1-178.500000114.6D64D64-A66 VanDerWaalsContact C-N 3.3Å; D64-A66 PolarHBondContact O-N 3.4Å; D64-A66 VanDerWaalsContact O-N 3.15Å
67L91.6Very high96.5Very high26 Ų2656.6 Ų56.614%0.13632%0.315CS..SBendtrans-109.3133.6-179.7-56.3175.2000110.1L40 K43 K60 D64 E65 F69L40-L67 HydrophobicContact CB-CD1 4.37Å; K43-L67 HydrophobicContact CB-CD2 4.26Å; K60-L67 PolarHBondContact NZ-O 3.12Å; K60-L67 VanDerWaalsContact NZ-O 3.11Å; D64-L67 HydrophobicContact CB-CB 4.34Å; D64-L67 HydrophobicContact CB-CD1 4.42Å; D64-L67 PolarHBondContact O-N 3.33Å; E65-L67 PolarHBondContact O-N 3.15Å; L67-F69 HydrophobicContact CB-CD2 3.78Å; L67-F69 HydrophobicContact CB-CE2 3.6Å; L67-F69 HydrophobicContact CB-CZ 4.23Å; L67-F69 HydrophobicContact CD1-CD2 4.41Å; L67-F69 HydrophobicContact CD1-CE2 3.61Å; L67-F69 HydrophobicContact CD1-CZ 4.3Å; L67-F69 HydrophobicContact CG-CE2 4.16Å; L67-F69 PolarHBondContact O-N 3.35Å
68D94.4Very high96.3Very high161 Ų16158.1 Ų58.186%0.86134%0.337SS*.  trans-90.878.1-179.9-169.224.5000110.2
69F97.5Very high96.1Very high32 Ų3265.6 Ų65.614%0.1438%0.377CS..  trans-113.1150173.7-60.5-45.1000110.6L40 Y46 V58 K60 L67L40-F69 HydrophobicContact CD1-CE2 4.04Å; L40-F69 HydrophobicContact CD1-CZ 4.29Å; Y46-F69 HydrophobicContact CD2-CE1 4.07Å; Y46-F69 AromaticContact CD2-CZ 3.8Å; Y46-F69 HydrophobicContact CD2-CZ 3.8Å; Y46-F69 HydrophobicContact CE2-CE1 4.11Å; Y46-F69 HydrophobicContact CE2-CZ 4.32Å; Y46-F69 HydrophobicContact CG-CZ 4.08Å; V58-F69 HydrophobicContact CB-CD1 4.03Å; V58-F69 HydrophobicContact CB-CD2 4.25Å; V58-F69 HydrophobicContact CB-CE1 4.06Å; V58-F69 HydrophobicContact CB-CE2 4.26Å; V58-F69 HydrophobicContact CB-CG 4.13Å; V58-F69 HydrophobicContact CB-CZ 4.18Å; V58-F69 HydrophobicContact CG1-CD1 4.28Å; V58-F69 HydrophobicContact CG1-CD2 3.59Å; V58-F69 HydrophobicContact CG1-CE1 4.32Å; V58-F69 HydrophobicContact CG1-CE2 3.63Å; V58-F69 HydrophobicContact CG1-CG 3.94Å; V58-F69 HydrophobicContact CG1-CZ 4.01Å; V58-F69 HydrophobicContact CG2-CE1 4.42Å; V58-F69 HydrophobicContact CG2-CZ 4.41Å; K60-F69 HydrophobicContact CB-CB 3.99Å; K60-F69 WeakPolarHBondContact CB-O 3.19Å; L67-F69 HydrophobicContact CB-CD2 3.78Å; L67-F69 HydrophobicContact CB-CE2 3.6Å; L67-F69 HydrophobicContact CB-CZ 4.23Å; L67-F69 HydrophobicContact CD1-CD2 4.41Å; L67-F69 HydrophobicContact CD1-CE2 3.61Å; L67-F69 HydrophobicContact CD1-CZ 4.3Å; L67-F69 HydrophobicContact CG-CE2 4.16Å; L67-F69 PolarHBondContact O-N 3.35Å
70P98Very high96.1Very high63 Ų6371 Ų7141%0.40940%0.401SS..  trans-69.6150.4174.230.6-35.9000111.1V59 K60 T72 K73V59-P70 CarbonylContact C-O 3.56Å; V59-P70 WeakPolarHBondContact CA-O 3.4Å; V59-P70 WeakPolarHBondContact CB-O 3.47Å; K60-P70 PolarHBondContact N-O 2.85Å; P70-T72 VanDerWaalsContact C-N 3.34Å; P70-K73 HydrophobicContact CG-CB 4.49Å
71L97.8Very high96.1Very high92 Ų9271.4 Ų71.448%0.48240%0.402SS..SBendtrans-69.4-34175.2-72.4168.6000112.8K60 Q89K60-L71 HydrophobicContact CB-CD2 4.27Å; L71-Q89 PolarHBondContact O-NE2 3.35Å
72T98.5Very high96.1Very high59 Ų5971.8 Ų71.836%0.36240%0.403SS..EExtended strand (participates in β ladder)trans-136140.6-178.6-56.80000108.9P70 L84 I85 L106P70-T72 VanDerWaalsContact C-N 3.34Å; T72-L84 WeakPolarHBondContact CA-O 3.42Å; T72-I85 HydrophobicContact CG2-CG2 3.81Å; T72-L106 HydrophobicContact CG2-CD1 3.79Å; T72-L106 HydrophobicContact CG2-CD2 3.96Å
73K98.6Very high96.3Very high69 Ų6969.2 Ų69.230%0.339%0.39SS..EExtended strand (participates in β ladder)trans-136.6133.3173.8-167.7170.4-170.1177.10110.1H57 V59 P70 L84H57-K73 HydrophobicContact CB-CD 4.15Å; H57-K73 WeakPolarHBondContact ND1-CE 3.4Å; H57-K73 PolarHBondContact ND1-NZ 3.31Å; V59-K73 HydrophobicContact CG1-CB 3.82Å; P70-K73 HydrophobicContact CG-CB 4.49Å; K73-L84 HydrophobicContact CB-CB 4.47Å; K73-L84 PolarHBondContact N-O 2.8Å; K73-L84 PolarHBondContact O-N 3Å
74V98.7Very high96.4Very high63 Ų6364.6 Ų64.638%0.38237%0.37SS..EExtended strand (participates in β ladder)trans-111.1134.8169.7177.40000108.2K81 I82 L106 V108V74-K81 HydrophobicContact CG1-CD 4.31Å; V74-K81 HydrophobicContact CG1-CG 3.77Å; V74-I82 VanDerWaalsContact CA-O 3.32Å; V74-I82 WeakPolarHBondContact CA-O 3.37Å; V74-L106 HydrophobicContact CG2-CB 4.27Å; V74-L106 HydrophobicContact CG2-CD1 4.4Å; V74-L106 HydrophobicContact CG2-CD2 4.27Å; V74-V108 HydrophobicContact CG1-CG1 3.97Å; V74-V108 HydrophobicContact CG2-CG1 4.01Å
75L98.1Very high96.5Very high18 Ų1864.6 Ų64.69%0.09437%0.37CS..EExtended strand (participates in β ladder)trans-145.3160.617968154.1000110.7L35 V77 I82L35-L75 HydrophobicContact CD2-CD1 3.53Å; L35-L75 HydrophobicContact CD2-CD2 4.27Å; L75-V77 HydrophobicContact CD1-CG2 3.66Å; L75-V77 HydrophobicContact CG-CG2 4.29Å; L75-I82 HydrophobicContact CD2-CB 4.17Å; L75-I82 HydrophobicContact CD2-CG2 4.39Å; L75-I82 HydrophobicContact CG-CB 4.37Å; L75-I82 PolarHBondContact N-O 2.95Å; L75-I82 PolarHBondContact O-N 3.31Å
76S97.9Very high96.9Very high94 Ų9456.8 Ų56.866%0.65733%0.333SS*.EExtended strand (participates in β ladder)trans-107.3130.5173.7-62.10000110.3F80S76-F80 CarbonylContact C-O 3.53Å; S76-F80 WeakPolarHBondContact CA-O 3.48Å
77V96.3Very high97.3Very high6 Ų652.1 Ų52.14%0.03630%0.295CS..EExtended strand (participates in β ladder)trans-130.3107.3176.1179.50000108.3M1 V3 L75 N79 F80 I82M1-V77 HydrophobicContact CE-CG1 3.32Å; M1-V77 HydrophobicContact SD-CG1 3.75Å; V3-V77 HydrophobicContact CG2-CG1 3.67Å; L75-V77 HydrophobicContact CD1-CG2 3.66Å; L75-V77 HydrophobicContact CG-CG2 4.29Å; V77-N79 PolarHBondContact O-N 3.09Å; V77-F80 PolarHBondContact N-O 2.78Å; V77-F80 PolarHBondContact O-N 3.34Å; V77-I82 HydrophobicContact CB-CD1 3.85Å; V77-I82 HydrophobicContact CG2-CD1 3.9Å
78G94Very high97.5Very high56 Ų5653.3 Ų53.358%0.57730%0.299SS*.THydrogen-bonded Turntrans62-127.7-166.300000110.6
79N95.4Very high97.6Very high163 Ų16348.7 Ų48.787%0.87227%0.273SS*.THydrogen-bonded Turntrans-90.71.5178.4-64.1-18.3000113.5V77V77-N79 PolarHBondContact O-N 3.09Å
80F97.6Very high97.6Very high114 Ų11447.8 Ų47.850%0.527%0.269SS..EExtended strand (participates in β ladder)trans-100.8132.2-175.9-59.3-73000111S76 V77 I82 D109 I110S76-F80 CarbonylContact C-O 3.53Å; S76-F80 WeakPolarHBondContact CA-O 3.48Å; V77-F80 PolarHBondContact N-O 2.78Å; V77-F80 PolarHBondContact O-N 3.34Å; F80-I82 HydrophobicContact CB-CG1 4.31Å; F80-D109 WeakPolarHBondContact CA-OD2 3.46Å; F80-D109 HydrophobicContact CD1-CB 4.19Å; F80-I110 HydrophobicContact CB-CD1 4.12Å; F80-I110 HydrophobicContact CD1-CD1 4.21Å; F80-I110 HydrophobicContact CG-CD1 4.07Å
81K98.5Very high97.4Very high62 Ų6250.1 Ų50.127%0.2728%0.282SS..EExtended strand (participates in β ladder)trans-88.7117.8165.6-171173.8161.8-158.60108.2V74 L106 D107 V108 D109 I110V74-K81 HydrophobicContact CG1-CD 4.31Å; V74-K81 HydrophobicContact CG1-CG 3.77Å; K81-L106 WeakPolarHBondContact CE-O 3.1Å; K81-L106 PolarHBondContact NZ-O 3.15Å; K81-L106 VanDerWaalsContact NZ-O 3.16Å; K81-D107 WeakPolarHBondContact CD-O 3.47Å; K81-D107 WeakPolarHBondContact CE-O 3.45Å; K81-D107 PolarHBondContact NZ-O 3.25Å; K81-D107 IonicContact NZ-OD2 3.56Å; K81-D107 PolarHBondContact NZ-OD2 3.5Å; K81-V108 HydrophobicContact CG-CG1 4.1Å; K81-V108 CarbonylContact O-C 3.01Å; K81-V108 WeakPolarHBondContact O-CB 3.41Å; K81-D109 PolarHBondContact N-OD2 3.37Å; K81-D109 PolarHBondContact O-N 3.31Å; K81-I110 PolarHBondContact O-N 3.28Å
82I98.8Very high97.3Very high10 Ų1049.6 Ų49.65%0.05128%0.284CS..EExtended strand (participates in β ladder)trans-111.3125.6-173.3-54.9-177.2000108.9L35 V74 L75 V77 F80 I110 I112L35-I82 HydrophobicContact CD1-CD1 4.02Å; L35-I82 HydrophobicContact CD1-CG2 4.05Å; V74-I82 VanDerWaalsContact CA-O 3.32Å; V74-I82 WeakPolarHBondContact CA-O 3.37Å; L75-I82 HydrophobicContact CD2-CB 4.17Å; L75-I82 HydrophobicContact CD2-CG2 4.39Å; L75-I82 HydrophobicContact CG-CB 4.37Å; L75-I82 PolarHBondContact N-O 2.95Å; L75-I82 PolarHBondContact O-N 3.31Å; V77-I82 HydrophobicContact CB-CD1 3.85Å; V77-I82 HydrophobicContact CG2-CD1 3.9Å; F80-I82 HydrophobicContact CB-CG1 4.31Å; I82-I110 CarbonylContact C-O 3.6Å; I82-I110 WeakPolarHBondContact CA-O 3.4Å; I82-I110 HydrophobicContact CG1-CB 4.28Å; I82-I110 HydrophobicContact CG1-CD1 4.5Å; I82-I110 HydrophobicContact CG2-CB 4.49Å; I82-I112 HydrophobicContact CG2-CD1 3.58Å; I82-I112 HydrophobicContact CG2-CG1 3.88Å
83G98.8Very high97Very high0 Ų052.2 Ų52.20%029%0.288CS..EExtended strand (participates in β ladder)trans-91.3133.2165.800000110.1I110 I112G83-I110 PolarHBondContact N-O 2.98Å; G83-I112 PolarHBondContact O-N 3.41Å
84L98.9Very high96.8Very high0 Ų050.2 Ų50.20%029%0.286CS..EExtended strand (participates in β ladder)trans-123.5127.4177.5-178.664.3000108.7L35 T37 H57 V59 T72 K73 I112L35-L84 HydrophobicContact CB-CD1 4.41Å; L35-L84 HydrophobicContact CB-CD2 4.29Å; T37-L84 HydrophobicContact CG2-CD1 3.79Å; H57-L84 HydrophobicContact CB-CD2 4.34Å; V59-L84 HydrophobicContact CB-CG 4.44Å; V59-L84 HydrophobicContact CG1-CB 4.22Å; V59-L84 HydrophobicContact CG1-CD2 3.95Å; V59-L84 HydrophobicContact CG1-CG 3.77Å; V59-L84 WeakPolarHBondContact CG1-O 3.47Å; V59-L84 HydrophobicContact CG2-CD1 4.42Å; V59-L84 HydrophobicContact CG2-CD2 4.32Å; V59-L84 HydrophobicContact CG2-CG 3.84Å; T72-L84 WeakPolarHBondContact CA-O 3.42Å; K73-L84 HydrophobicContact CB-CB 4.47Å; K73-L84 PolarHBondContact N-O 2.8Å; K73-L84 PolarHBondContact O-N 3Å; L84-I112 HydrophobicContact CD1-CB 3.85Å; L84-I112 HydrophobicContact CD1-CG2 3.69Å
85I98.8Very high96.7Very high1 Ų150 Ų501%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-141.1164.2174.155.5154.4000110.5V59 T72 I90 L99 L102 L111 I112V59-I85 VanDerWaalsContact CG2-C 3.48Å; T72-I85 HydrophobicContact CG2-CG2 3.81Å; I85-I90 HydrophobicContact CD1-CD1 3.76Å; I85-I90 HydrophobicContact CD1-CG1 3.76Å; I85-L99 HydrophobicContact CD1-CD2 4.36Å; I85-L102 HydrophobicContact CD1-CD2 3.59Å; I85-L102 HydrophobicContact CG1-CD2 4.33Å; I85-L102 HydrophobicContact CG2-CD2 3.99Å; I85-L111 HydrophobicContact CG1-CD1 4.43Å; I85-I112 WeakPolarHBondContact CG1-O 3.43Å; I85-I112 PolarHBondContact N-O 3.08Å
86H98.4Very high96.6Very high0 Ų052.9 Ų52.90%030%0.296CS..  trans-75.6-43.5172.3178.845.9000112D8 T37 N39 K60 G61 D62 H88 G114 H115D8-H86 IonicContact OD1-CE1 3.06Å; D8-H86 PolarHBondContact OD1-CE1 2.94Å; T37-H86 WeakPolarHBondContact O-CA 3.28Å; T37-H86 WeakPolarHBondContact O-CB 3.36Å; T37-H86 PolarHBondContact O-ND1 2.96Å; N39-H86 PolarHBondContact ND2-CE1 2.78Å; N39-H86 PolarHBondContact ND2-NE2 3.14Å; K60-H86 WeakPolarHBondContact O-CB 3.48Å; G61-H86 VanDerWaalsContact CA-CD2 3.42Å; G61-H86 WeakPolarHBondContact CA-CD2 3.48Å; G61-H86 VanDerWaalsContact CA-CG 3.47Å; D62-H86 IonicContact OD1-CD2 3.19Å; D62-H86 IonicContact OD1-NE2 3.73Å; D62-H86 PolarHBondContact OD1-NE2 3.23Å; H86-H88 AromaticContact CD2-CG 3.72Å; H86-H88 AromaticContact CD2-ND1 3.16Å; H86-H88 PolarHBondContact CD2-ND1 3.31Å; H86-H88 AromaticContact CG-ND1 3.68Å; H86-G114 CarbonylContact O-C 3.55Å; H86-G114 WeakPolarHBondContact O-CA 3.35Å; H86-G114 PolarHBondContact O-N 2.99Å; H86-H115 AromaticContact CD2-ND1 3.78Å; H86-H115 AromaticContact CE1-ND1 3.97Å; H86-H115 WeakPolarHBondContact NE2-CB 3.37Å; H86-H115 AromaticContact NE2-CG 3.63Å; H86-H115 AromaticContact NE2-ND1 3.08Å; H86-H115 PolarHBondContact NE2-ND1 3.19Å; H86-H115 WeakPolarHBondContact O-CB 3.11Å; H86-H115 PolarHBondContact O-N 2.74Å
87G97.3Very high96.6Very high5 Ų555.6 Ų55.65%0.05230%0.296CS..SBendtrans111.4-24-178.700000114.1Q89 I90G87-Q89 PolarHBondContact O-N 2.82Å; G87-Q89 VanDerWaalsContact O-N 3.11Å; G87-I90 WeakPolarHBondContact O-CB 3.41Å; G87-I90 PolarHBondContact O-N 2.85Å
88H96.2Very high96.7Very high51 Ų5156.9 Ų56.924%0.23631%0.305CS..THydrogen-bonded Turntrans-59.4-22.7173.375.3-78.2000113.3D62 H86 I90 W93D62-H88 HydrophobicContact CB-CB 4.18Å; H86-H88 AromaticContact CD2-CG 3.72Å; H86-H88 AromaticContact CD2-ND1 3.16Å; H86-H88 PolarHBondContact CD2-ND1 3.31Å; H86-H88 AromaticContact CG-ND1 3.68Å; H88-I90 VanDerWaalsContact C-N 3.28Å; H88-I90 PolarHBondContact O-N 3.17Å; H88-W93 PolarHBondContact O-NE1 2.76Å
89Q95.7Very high96.9Very high65 Ų6554.4 Ų54.430%0.30428%0.279SS..THydrogen-bonded Turntrans-75.2-16.2177.9-50.994.3-18.100113.1L71 G87L71-Q89 PolarHBondContact O-NE2 3.35Å; G87-Q89 PolarHBondContact O-N 2.82Å; G87-Q89 VanDerWaalsContact O-N 3.11Å
90I96.6Very high97Very high12 Ų1247 Ų476%0.06224%0.24CC..SBendtrans-85.9131.4-175-55.4-61.6000109.9I85 G87 H88 P92 W93 L99 L102I85-I90 HydrophobicContact CD1-CD1 3.76Å; I85-I90 HydrophobicContact CD1-CG1 3.76Å; G87-I90 WeakPolarHBondContact O-CB 3.41Å; G87-I90 PolarHBondContact O-N 2.85Å; H88-I90 VanDerWaalsContact C-N 3.28Å; H88-I90 PolarHBondContact O-N 3.17Å; I90-P92 WeakPolarHBondContact CG2-O 3.48Å; I90-P92 CarbonylContact O-C 3.41Å; I90-W93 WeakPolarHBondContact O-CA 3.02Å; I90-W93 PolarHBondContact O-N 2.99Å; I90-L99 HydrophobicContact CD1-CD2 4.15Å; I90-L99 HydrophobicContact CG1-CD2 3.88Å; I90-L99 HydrophobicContact CG2-CD2 4.42Å; I90-L99 HydrophobicContact CG2-CG 4.37Å; I90-L102 HydrophobicContact CD1-CB 4.36Å; I90-L102 HydrophobicContact CD1-CD2 3.68Å
91V94.8Very high97.1Very high113 Ų11343.5 Ų43.569%0.68523%0.233SC*.SBendtrans-125.1126.7175.7-176.50000109.8S98V91-S98 PolarHBondContact O-OG 3.06Å
92P95.1Very high97.1Very high81 Ų8141.9 Ų41.953%0.52623%0.226SC..SBendcis-63.3150.8-13.8-17.231.6000112.3I90 G94 D95I90-P92 WeakPolarHBondContact CG2-O 3.48Å; I90-P92 CarbonylContact O-C 3.41Å; P92-G94 PolarHBondContact O-N 3.37Å; P92-D95 HydrophobicContact CB-CB 4.24Å; P92-D95 HydrophobicContact CG-CB 4.34Å; P92-D95 VanDerWaalsContact O-CB 3.28Å; P92-D95 WeakPolarHBondContact O-CB 3.19Å; P92-D95 PolarHBondContact O-N 3.41Å; P92-D95 VanDerWaalsContact O-N 3.09Å
93W93.5Very high97Very high114 Ų11441.6 Ų41.643%0.43223%0.225SC..THydrogen-bonded Turntrans-58.2130.5179.9-62.2-45.4000111.6H88 I90 D95 H115 F142H88-W93 PolarHBondContact O-NE1 2.76Å; I90-W93 WeakPolarHBondContact O-CA 3.02Å; I90-W93 PolarHBondContact O-N 2.99Å; W93-D95 PolarHBondContact O-N 2.99Å; W93-H115 AromaticContact CD1-CD2 3.91Å; W93-H115 AromaticContact CD1-NE2 3.99Å; W93-H115 AromaticContact CD2-CD2 3.98Å; W93-H115 AromaticContact CD2-NE2 3.56Å; W93-H115 AromaticContact CE2-NE2 3.57Å; W93-H115 AromaticContact CE3-NE2 3.87Å; W93-H115 AromaticContact CG-CD2 3.85Å; W93-H115 AromaticContact CG-NE2 3.93Å; W93-H115 AromaticContact CZ2-NE2 3.95Å; W93-H115 AromaticContact NE1-NE2 3.87Å; W93-F142 HydrophobicContact CB-CZ 4.49Å; W93-F142 HydrophobicContact CD2-CE2 4.4Å; W93-F142 HydrophobicContact CD2-CZ 4.34Å; W93-F142 HydrophobicContact CE3-CD2 4.24Å; W93-F142 HydrophobicContact CE3-CE1 4.29Å; W93-F142 AromaticContact CE3-CE2 3.18Å; W93-F142 HydrophobicContact CE3-CE2 3.18Å; W93-F142 AromaticContact CE3-CZ 3.24Å; W93-F142 HydrophobicContact CE3-CZ 3.24Å; W93-F142 AromaticContact CZ3-CE2 3.43Å; W93-F142 HydrophobicContact CZ3-CE2 3.43Å; W93-F142 VanDerWaalsContact CZ3-CE2 3.43Å; W93-F142 AromaticContact CZ3-CZ 3.8Å; W93-F142 HydrophobicContact CZ3-CZ 3.8Å
94G93.5Very high97Very high26 Ų2650 Ų5027%0.26826%0.257SS..THydrogen-bonded Turntrans72.44.9-17900000115.3P92 Q96P92-G94 PolarHBondContact O-N 3.37Å; G94-Q96 PolarHBondContact O-N 2.7Å
95D95.8Very high97Very high59 Ų5957.4 Ų57.432%0.31629%0.291SS..  trans-66.7125178.1-178.782.2000111.6P92 W93 K97 S98 L99P92-D95 HydrophobicContact CB-CB 4.24Å; P92-D95 HydrophobicContact CG-CB 4.34Å; P92-D95 VanDerWaalsContact O-CB 3.28Å; P92-D95 WeakPolarHBondContact O-CB 3.19Å; P92-D95 PolarHBondContact O-N 3.41Å; P92-D95 VanDerWaalsContact O-N 3.09Å; W93-D95 PolarHBondContact O-N 2.99Å; D95-K97 VanDerWaalsContact C-N 3.31Å; D95-K97 PolarHBondContact O-N 3.24Å; D95-K97 WeakPolarHBondContact OD2-CA 3.45Å; D95-K97 WeakPolarHBondContact OD2-CB 3.43Å; D95-K97 PolarHBondContact OD2-N 3.13Å; D95-S98 PolarHBondContact O-N 2.98Å; D95-S98 PolarHBondContact OD2-N 3.36Å; D95-S98 PolarHBondContact OD2-OG 3.3Å; D95-L99 WeakPolarHBondContact O-CB 3.42Å; D95-L99 WeakPolarHBondContact O-CG 3.48Å; D95-L99 PolarHBondContact O-N 3.45Å
96Q97.1Very high97Very high78 Ų7858.9 Ų58.936%0.36430%0.299SS..Hα-helixtrans-60.3-37.2-176.9-177.1178.966.500112.7G94 A100 Y122 Y124G94-Q96 PolarHBondContact O-N 2.7Å; Q96-A100 VanDerWaalsContact O-CB 3.3Å; Q96-A100 WeakPolarHBondContact O-CB 3.26Å; Q96-A100 PolarHBondContact O-N 2.99Å; Q96-Y122 HydrophobicContact CG-CE2 4.02Å; Q96-Y122 VanDerWaalsContact NE2-CE2 3.33Å; Q96-Y124 HydrophobicContact CG-CD1 4.13Å; Q96-Y124 HydrophobicContact CG-CD2 3.98Å; Q96-Y124 HydrophobicContact CG-CE1 4.37Å; Q96-Y124 HydrophobicContact CG-CE2 4.22Å; Q96-Y124 HydrophobicContact CG-CG 3.92Å
97K97.7Very high96.9Very high151 Ų15164 Ų6466%0.65733%0.327SS*.Hα-helixtrans-74.8-39.1-179.1-66-179.9179.8176.10111.3D95 A100 A101D95-K97 VanDerWaalsContact C-N 3.31Å; D95-K97 PolarHBondContact O-N 3.24Å; D95-K97 WeakPolarHBondContact OD2-CA 3.45Å; D95-K97 WeakPolarHBondContact OD2-CB 3.43Å; D95-K97 PolarHBondContact OD2-N 3.13Å; K97-A100 PolarHBondContact O-N 3.41Å; K97-A101 PolarHBondContact O-N 3.01Å
98S98.1Very high97Very high34 Ų3463.8 Ų63.824%0.23832%0.324CS..Hα-helixtrans-65.3-41.2174.2-650000111.5V91 D95 A101 L102V91-S98 PolarHBondContact O-OG 3.06Å; D95-S98 PolarHBondContact O-N 2.98Å; D95-S98 PolarHBondContact OD2-N 3.36Å; D95-S98 PolarHBondContact OD2-OG 3.3Å; S98-A101 WeakPolarHBondContact O-CB 3.12Å; S98-A101 PolarHBondContact O-N 2.77Å; S98-L102 PolarHBondContact O-N 2.95Å; S98-L102 VanDerWaalsContact O-N 3.12Å
99L98.3Very high97.1Very high3 Ų364.8 Ų64.82%0.01633%0.331CS..Hα-helixtrans-61.3-43.5172.1-73.5169.4000111.7I85 I90 D95 A101 L102 Q103 L111 Y129I85-L99 HydrophobicContact CD1-CD2 4.36Å; I90-L99 HydrophobicContact CD1-CD2 4.15Å; I90-L99 HydrophobicContact CG1-CD2 3.88Å; I90-L99 HydrophobicContact CG2-CD2 4.42Å; I90-L99 HydrophobicContact CG2-CG 4.37Å; D95-L99 WeakPolarHBondContact O-CB 3.42Å; D95-L99 WeakPolarHBondContact O-CG 3.48Å; D95-L99 PolarHBondContact O-N 3.45Å; L99-A101 VanDerWaalsContact C-N 3.29Å; L99-A101 PolarHBondContact O-N 3.19Å; L99-L102 PolarHBondContact O-N 3.07Å; L99-Q103 WeakPolarHBondContact O-CB 3.35Å; L99-Q103 PolarHBondContact O-N 3.39Å; L99-L111 HydrophobicContact CB-CD2 4.2Å; L99-L111 HydrophobicContact CD2-CD2 3.91Å; L99-L111 WeakPolarHBondContact O-CD2 3.21Å; L99-Y129 HydrophobicContact CB-CD1 4.16Å; L99-Y129 HydrophobicContact CB-CE1 4.07Å
100A98.3Very high97.3Very high8 Ų863 Ų637%0.06632%0.323CS..Hα-helixtrans-68.1-25.9176.700000113.9Q96 K97 R104 Y124 Y129Q96-A100 VanDerWaalsContact O-CB 3.3Å; Q96-A100 WeakPolarHBondContact O-CB 3.26Å; Q96-A100 PolarHBondContact O-N 2.99Å; K97-A100 PolarHBondContact O-N 3.41Å; A100-R104 WeakPolarHBondContact O-CG 3.44Å; A100-R104 PolarHBondContact O-N 2.75Å; A100-R104 PolarHBondContact O-NE 3.21Å; A100-Y124 HydrophobicContact CB-CD1 3.77Å; A100-Y124 HydrophobicContact CB-CE1 3.51Å; A100-Y129 WeakPolarHBondContact CA-OH 3.45Å
101A98.2Very high97.4Very high41 Ų4162.4 Ų62.434%0.33932%0.32SS..Hα-helixtrans-67.7-47.1170.100000110.9K97 S98 L99 R104 E105K97-A101 PolarHBondContact O-N 3.01Å; S98-A101 WeakPolarHBondContact O-CB 3.12Å; S98-A101 PolarHBondContact O-N 2.77Å; L99-A101 VanDerWaalsContact C-N 3.29Å; L99-A101 PolarHBondContact O-N 3.19Å; A101-R104 PolarHBondContact O-N 3.08Å; A101-E105 PolarHBondContact O-N 3.4Å
102L98.3Very high97.6Very high27 Ų2757.1 Ų57.114%0.14129%0.288CS..Hα-helixtrans-66.4-39.8177.5-178.565.8000112.4I85 I90 S98 L99 R104 E105 L106 L111I85-L102 HydrophobicContact CD1-CD2 3.59Å; I85-L102 HydrophobicContact CG1-CD2 4.33Å; I85-L102 HydrophobicContact CG2-CD2 3.99Å; I90-L102 HydrophobicContact CD1-CB 4.36Å; I90-L102 HydrophobicContact CD1-CD2 3.68Å; S98-L102 PolarHBondContact O-N 2.95Å; S98-L102 VanDerWaalsContact O-N 3.12Å; L99-L102 PolarHBondContact O-N 3.07Å; L102-R104 VanDerWaalsContact C-N 3.27Å; L102-R104 PolarHBondContact O-N 3.44Å; L102-E105 WeakPolarHBondContact O-CB 3.03Å; L102-E105 PolarHBondContact O-N 2.91Å; L102-E105 VanDerWaalsContact O-N 3.15Å; L102-L106 HydrophobicContact CD1-CD1 4.09Å; L102-L106 HydrophobicContact CD1-CD2 4.47Å; L102-L106 HydrophobicContact CD1-CG 3.98Å; L102-L106 HydrophobicContact CD2-CD1 4.38Å; L102-L106 HydrophobicContact CG-CD1 3.96Å; L102-L106 HydrophobicContact CG-CG 4.22Å; L102-L106 WeakPolarHBondContact O-CG 3.49Å; L102-L106 PolarHBondContact O-N 3.12Å; L102-L111 HydrophobicContact CD2-CD1 4.49Å
103Q98.4Very high97.7Very high5 Ų553.6 Ų53.62%0.02327%0.266CS..Hα-helixtrans-53.9-47.6175.2176.7-77.6-46.600110.6L99 L106 D107 V108 L111 H127 Y129L99-Q103 WeakPolarHBondContact O-CB 3.35Å; L99-Q103 PolarHBondContact O-N 3.39Å; Q103-L106 PolarHBondContact O-N 2.84Å; Q103-D107 WeakPolarHBondContact O-CA 3.49Å; Q103-D107 PolarHBondContact O-N 3.23Å; Q103-V108 HydrophobicContact CB-CG2 4.49Å; Q103-V108 HydrophobicContact CG-CG2 3.99Å; Q103-V108 WeakPolarHBondContact CG-O 3.34Å; Q103-V108 PolarHBondContact NE2-O 3.11Å; Q103-V108 PolarHBondContact O-N 3.01Å; Q103-L111 HydrophobicContact CB-CB 4.33Å; Q103-L111 HydrophobicContact CB-CD2 4.12Å; Q103-L111 HydrophobicContact CG-CB 4.5Å; Q103-H127 VanDerWaalsContact CD-CD2 3.42Å; Q103-H127 VanDerWaalsContact CD-CG 3.49Å; Q103-H127 HydrophobicContact CG-CB 4.11Å; Q103-H127 PolarHBondContact NE2-CD2 2.85Å; Q103-H127 PolarHBondContact NE2-NE2 2.89Å; Q103-Y129 HydrophobicContact CB-CE1 3.95Å; Q103-Y129 WeakPolarHBondContact CB-OH 3.4Å; Q103-Y129 HydrophobicContact CG-CE1 4.34Å
104R98.2Very high97.9Very high176 Ų17648.2 Ų48.266%0.66425%0.245SC*.Hα-helixtrans-66.7-36177.5-71.5-178.2-65.6140.6-0.9113.3A100 A101 L102 D107A100-R104 WeakPolarHBondContact O-CG 3.44Å; A100-R104 PolarHBondContact O-N 2.75Å; A100-R104 PolarHBondContact O-NE 3.21Å; A101-R104 PolarHBondContact O-N 3.08Å; L102-R104 VanDerWaalsContact C-N 3.27Å; L102-R104 PolarHBondContact O-N 3.44Å; R104-D107 PolarHBondContact O-N 2.83Å
105E98.2Very high98.1Very high155 Ų15547.8 Ų47.872%0.72424%0.237SC*.Hα-helixtrans-63.4-42.8175.2-175.8-173.8152.400111.6A101 L102 D107A101-E105 PolarHBondContact O-N 3.4Å; L102-E105 WeakPolarHBondContact O-CB 3.03Å; L102-E105 PolarHBondContact O-N 2.91Å; L102-E105 VanDerWaalsContact O-N 3.15Å; E105-D107 VanDerWaalsContact C-N 3.34Å
106L98.2Very high98.1Very high32 Ų3245.5 Ų45.517%0.16823%0.225CC..Hα-helixtrans-80.5-17.3178.4-61.2-179.5000113.2T72 V74 K81 L102 Q103 V108 L111T72-L106 HydrophobicContact CG2-CD1 3.79Å; T72-L106 HydrophobicContact CG2-CD2 3.96Å; V74-L106 HydrophobicContact CG2-CB 4.27Å; V74-L106 HydrophobicContact CG2-CD1 4.4Å; V74-L106 HydrophobicContact CG2-CD2 4.27Å; K81-L106 WeakPolarHBondContact CE-O 3.1Å; K81-L106 PolarHBondContact NZ-O 3.15Å; K81-L106 VanDerWaalsContact NZ-O 3.16Å; L102-L106 HydrophobicContact CD1-CD1 4.09Å; L102-L106 HydrophobicContact CD1-CD2 4.47Å; L102-L106 HydrophobicContact CD1-CG 3.98Å; L102-L106 HydrophobicContact CD2-CD1 4.38Å; L102-L106 HydrophobicContact CG-CD1 3.96Å; L102-L106 HydrophobicContact CG-CG 4.22Å; L102-L106 WeakPolarHBondContact O-CG 3.49Å; L102-L106 PolarHBondContact O-N 3.12Å; Q103-L106 PolarHBondContact O-N 2.84Å; L106-V108 HydrophobicContact CB-CG1 3.72Å; L106-V108 HydrophobicContact CB-CG2 4.22Å; L106-L111 HydrophobicContact CD1-CD1 4.21Å
107D98.3Very high98.1Very high109 Ų10942.2 Ų42.258%0.58321%0.209SC*.THydrogen-bonded Turntrans55.354.8-177.2174.859.5000111K81 Q103 R104 E105K81-D107 WeakPolarHBondContact CD-O 3.47Å; K81-D107 WeakPolarHBondContact CE-O 3.45Å; K81-D107 PolarHBondContact NZ-O 3.25Å; K81-D107 IonicContact NZ-OD2 3.56Å; K81-D107 PolarHBondContact NZ-OD2 3.5Å; Q103-D107 WeakPolarHBondContact O-CA 3.49Å; Q103-D107 PolarHBondContact O-N 3.23Å; R104-D107 PolarHBondContact O-N 2.83Å; E105-D107 VanDerWaalsContact C-N 3.34Å
108V98.7Very high97.9Very high0 Ų039.2 Ų39.20%020%0.196CC..  trans-113.9141.3-174.1-63.80000111.5V74 K81 Q103 L106 L111 H127V74-V108 HydrophobicContact CG1-CG1 3.97Å; V74-V108 HydrophobicContact CG2-CG1 4.01Å; K81-V108 HydrophobicContact CG-CG1 4.1Å; K81-V108 CarbonylContact O-C 3.01Å; K81-V108 WeakPolarHBondContact O-CB 3.41Å; Q103-V108 HydrophobicContact CB-CG2 4.49Å; Q103-V108 HydrophobicContact CG-CG2 3.99Å; Q103-V108 WeakPolarHBondContact CG-O 3.34Å; Q103-V108 PolarHBondContact NE2-O 3.11Å; Q103-V108 PolarHBondContact O-N 3.01Å; L106-V108 HydrophobicContact CB-CG1 3.72Å; L106-V108 HydrophobicContact CB-CG2 4.22Å; V108-L111 HydrophobicContact CG2-CB 4.29Å; V108-L111 HydrophobicContact CG2-CD1 4.34Å; V108-H127 PolarHBondContact O-CD2 2.76Å; V108-H127 VanDerWaalsContact O-CD2 3.25Å
109D98.6Very high97.9Very high71 Ų7144.9 Ų44.938%0.3822%0.217SC..SBendtrans-68.7-37.1176-53.5-59.7000111.9F80 K81 F128F80-D109 WeakPolarHBondContact CA-OD2 3.46Å; F80-D109 HydrophobicContact CD1-CB 4.19Å; K81-D109 PolarHBondContact N-OD2 3.37Å; K81-D109 PolarHBondContact O-N 3.31Å; D109-F128 PolarHBondContact O-N 3.32Å
110I98.7Very high97.8Very high27 Ų2748 Ų4814%0.13823%0.232CC..EExtended strand (participates in β ladder)trans-127124.2-178-51179.1000109.1F80 K81 I82 G83 I112 F128 I130F80-I110 HydrophobicContact CB-CD1 4.12Å; F80-I110 HydrophobicContact CD1-CD1 4.21Å; F80-I110 HydrophobicContact CG-CD1 4.07Å; K81-I110 PolarHBondContact O-N 3.28Å; I82-I110 CarbonylContact C-O 3.6Å; I82-I110 WeakPolarHBondContact CA-O 3.4Å; I82-I110 HydrophobicContact CG1-CB 4.28Å; I82-I110 HydrophobicContact CG1-CD1 4.5Å; I82-I110 HydrophobicContact CG2-CB 4.49Å; G83-I110 PolarHBondContact N-O 2.98Å; I110-I112 HydrophobicContact CG2-CG1 4.13Å; I110-F128 CarbonylContact C-O 3.6Å; I110-F128 VanDerWaalsContact CA-O 3.24Å; I110-F128 WeakPolarHBondContact CA-O 3.49Å; I110-F128 HydrophobicContact CG1-CB 4.17Å; I110-F128 HydrophobicContact CG2-CB 4.39Å; I110-I130 HydrophobicContact CG2-CD1 3.97Å; I110-I130 HydrophobicContact CG2-CG1 4.31Å
111L98.8Very high97.8Very high0 Ų050.1 Ų50.10%025%0.249CC..EExtended strand (participates in β ladder)trans-105.3121.9171-174.967.3000110.4I85 L99 L102 Q103 L106 V108 F128 Y129 I130I85-L111 HydrophobicContact CG1-CD1 4.43Å; L99-L111 HydrophobicContact CB-CD2 4.2Å; L99-L111 HydrophobicContact CD2-CD2 3.91Å; L99-L111 WeakPolarHBondContact O-CD2 3.21Å; L102-L111 HydrophobicContact CD2-CD1 4.49Å; Q103-L111 HydrophobicContact CB-CB 4.33Å; Q103-L111 HydrophobicContact CB-CD2 4.12Å; Q103-L111 HydrophobicContact CG-CB 4.5Å; L106-L111 HydrophobicContact CD1-CD1 4.21Å; V108-L111 HydrophobicContact CG2-CB 4.29Å; V108-L111 HydrophobicContact CG2-CD1 4.34Å; L111-F128 PolarHBondContact N-O 2.99Å; L111-Y129 HydrophobicContact CB-CD1 3.93Å; L111-Y129 HydrophobicContact CB-CE1 4.07Å; L111-Y129 HydrophobicContact CD2-CD1 4.14Å; L111-Y129 HydrophobicContact CD2-CE1 4Å; L111-Y129 WeakPolarHBondContact O-CA 3.38Å; L111-I130 PolarHBondContact O-N 3.17Å
112I98.8Very high97.8Very high2 Ų250.4 Ų50.41%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-106.8125.2177.1-55.1-178.8000109V5 L35 T37 I82 G83 L84 I85 I110 I130V5-I112 HydrophobicContact CG1-CD1 4.13Å; V5-I112 HydrophobicContact CG1-CG2 3.42Å; V5-I112 VanDerWaalsContact CG1-CG2 3.42Å; V5-I112 HydrophobicContact CG2-CD1 3.83Å; L35-I112 HydrophobicContact CB-CD1 4.34Å; L35-I112 HydrophobicContact CD1-CD1 3.51Å; T37-I112 HydrophobicContact CG2-CG2 3.63Å; I82-I112 HydrophobicContact CG2-CD1 3.58Å; I82-I112 HydrophobicContact CG2-CG1 3.88Å; G83-I112 PolarHBondContact O-N 3.41Å; L84-I112 HydrophobicContact CD1-CB 3.85Å; L84-I112 HydrophobicContact CD1-CG2 3.69Å; I85-I112 WeakPolarHBondContact CG1-O 3.43Å; I85-I112 PolarHBondContact N-O 3.08Å; I110-I112 HydrophobicContact CG2-CG1 4.13Å; I112-I130 WeakPolarHBondContact CA-O 3.46Å; I112-I130 HydrophobicContact CG1-CB 4.27Å
113S98.5Very high97.8Very high7 Ų755.5 Ų55.55%0.04927%0.265CS..  trans-131.3167.1176.6630000110.8I130 N131 P132S113-I130 PolarHBondContact N-O 3.15Å; S113-N131 VanDerWaalsContact O-CA 3.24Å; S113-N131 WeakPolarHBondContact O-CA 3.4Å; S113-P132 WeakPolarHBondContact O-CD 3.47Å
114G97.7Very high97.8Very high1 Ų159 Ų591%0.0128%0.278CS..  trans-136.3-134.2178.500000110.3H86 T116 N131H86-G114 CarbonylContact O-C 3.55Å; H86-G114 WeakPolarHBondContact O-CA 3.35Å; H86-G114 PolarHBondContact O-N 2.99Å; G114-T116 PolarHBondContact O-N 3.06Å; G114-N131 PolarHBondContact O-ND2 3.27Å
115H97.2Very high97.7Very high18 Ų1853.8 Ų53.88%0.08327%0.273CS..SBendtrans71-41170.4-172.169000115.6D8 D62 H86 W93 H117D8-H115 PolarHBondContact OD2-N 3.09Å; D62-H115 IonicContact OD1-ND1 3.85Å; D62-H115 IonicContact OD2-CE1 3.74Å; D62-H115 PolarHBondContact OD2-CE1 2.67Å; D62-H115 IonicContact OD2-ND1 3.41Å; H86-H115 AromaticContact CD2-ND1 3.78Å; H86-H115 AromaticContact CE1-ND1 3.97Å; H86-H115 WeakPolarHBondContact NE2-CB 3.37Å; H86-H115 AromaticContact NE2-CG 3.63Å; H86-H115 AromaticContact NE2-ND1 3.08Å; H86-H115 PolarHBondContact NE2-ND1 3.19Å; H86-H115 WeakPolarHBondContact O-CB 3.11Å; H86-H115 PolarHBondContact O-N 2.74Å; W93-H115 AromaticContact CD1-CD2 3.91Å; W93-H115 AromaticContact CD1-NE2 3.99Å; W93-H115 AromaticContact CD2-CD2 3.98Å; W93-H115 AromaticContact CD2-NE2 3.56Å; W93-H115 AromaticContact CE2-NE2 3.57Å; W93-H115 AromaticContact CE3-NE2 3.87Å; W93-H115 AromaticContact CG-CD2 3.85Å; W93-H115 AromaticContact CG-NE2 3.93Å; W93-H115 AromaticContact CZ2-NE2 3.95Å; W93-H115 AromaticContact NE1-NE2 3.87Å; H115-H117 PolarHBondContact O-CD2 2.84Å; H115-H117 VanDerWaalsContact O-CD2 3.23Å; H115-H117 PolarHBondContact O-N 3.43Å
116T96.1Very high97.6Very high11 Ų1154.7 Ų54.77%0.06728%0.277CS..SBendtrans-73-15.6-179.967.60000113G114 K118 N131G114-T116 PolarHBondContact O-N 3.06Å; T116-K118 PolarHBondContact O-N 3.37Å; T116-K118 VanDerWaalsContact O-N 3.13Å; T116-K118 PolarHBondContact OG1-N 3.1Å; T116-N131 PolarHBondContact OG1-ND2 2.92Å
117H96.4Very high97.6Very high9 Ų955.6 Ų55.64%0.04228%0.28CS..  trans60.67.1-172.2-66-154.8000114.8D8 H10 H115 G133 S134 A138 S140D8-H117 IonicContact OD1-CD2 2.65Å; D8-H117 IonicContact OD1-NE2 3.53Å; D8-H117 IonicContact OD2-CD2 3.8Å; H10-H117 AromaticContact CD2-CE1 3.7Å; H10-H117 AromaticContact CD2-NE2 3.85Å; H10-H117 AromaticContact NE2-CE1 3.65Å; H10-H117 AromaticContact NE2-NE2 3.39Å; H10-H117 PolarHBondContact NE2-NE2 3.42Å; H115-H117 PolarHBondContact O-CD2 2.84Å; H115-H117 VanDerWaalsContact O-CD2 3.23Å; H115-H117 PolarHBondContact O-N 3.43Å; H117-G133 VanDerWaalsContact C-CA 3.48Å; H117-G133 WeakPolarHBondContact O-CA 3.37Å; H117-S134 PolarHBondContact O-N 3.34Å; H117-A138 PolarHBondContact CE1-O 3.22Å; H117-A138 PolarHBondContact ND1-O 3.19Å; H117-S140 VanDerWaalsContact CG-CB 3.4Å; H117-S140 WeakPolarHBondContact ND1-CB 3.24Å
118K95Very high97.6Very high88 Ų8854.1 Ų54.138%0.38327%0.269SS..  trans-101.6129.9-179.8-66.1-178.6-174.8179.20110.4T116 E120 N131 F142T116-K118 PolarHBondContact O-N 3.37Å; T116-K118 VanDerWaalsContact O-N 3.13Å; T116-K118 PolarHBondContact OG1-N 3.1Å; K118-E120 PolarHBondContact O-N 2.81Å; K118-N131 WeakPolarHBondContact O-CB 3.36Å; K118-N131 PolarHBondContact O-OD1 2.82Å; K118-F142 WeakPolarHBondContact CE-O 3.2Å; K118-F142 PolarHBondContact NZ-O 3.04Å
119F96.5Very high97.6Very high152 Ų15254.3 Ų54.367%0.66727%0.269SS*.EExtended strand (participates in β ladder)trans-67.8125.3173.1173.4-98.2000110.3A121 N131F119-A121 HydrophobicContact CE1-CB 4.32Å; F119-A121 HydrophobicContact CE2-CB 4.41Å; F119-A121 HydrophobicContact CZ-CB 3.79Å; F119-N131 VanDerWaalsContact CA-O 3.32Å; F119-N131 WeakPolarHBondContact CA-O 3.42Å; F119-N131 WeakPolarHBondContact CD2-O 3.43Å
120E97.2Very high97.6Very high70 Ų7052.5 Ų52.533%0.32726%0.259SS..EExtended strand (participates in β ladder)trans-138.9136.9174.6-62.5-176.5121.900109.1K118 Y122 I130 N131K118-E120 PolarHBondContact O-N 2.81Å; E120-Y122 HydrophobicContact CB-CD1 4.19Å; E120-Y122 HydrophobicContact CB-CE1 4.19Å; E120-I130 CarbonylContact O-C 3.52Å; E120-I130 WeakPolarHBondContact O-CA 3.46Å; E120-N131 HydrophobicContact CB-CB 4.05Å; E120-N131 PolarHBondContact N-O 3.39Å; E120-N131 PolarHBondContact O-N 3.27Å
121A98.2Very high97.6Very high51 Ų5151.3 Ų51.342%0.42125%0.253SS..EExtended strand (participates in β ladder)trans-147.811017200000108F119 F128 Y129F119-A121 HydrophobicContact CE1-CB 4.32Å; F119-A121 HydrophobicContact CE2-CB 4.41Å; F119-A121 HydrophobicContact CZ-CB 3.79Å; A121-F128 HydrophobicContact CB-CE1 4.35Å; A121-F128 HydrophobicContact CB-CZ 4.34Å; A121-Y129 WeakPolarHBondContact CA-O 3.41Å
122Y98.4Very high97.6Very high48 Ų4852.8 Ų52.819%0.18826%0.263CS..EExtended strand (participates in β ladder)trans-151.7158.7-17463.4-92.8000112.1Q96 E120 Y129Q96-Y122 HydrophobicContact CG-CE2 4.02Å; Q96-Y122 VanDerWaalsContact NE2-CE2 3.33Å; E120-Y122 HydrophobicContact CB-CD1 4.19Å; E120-Y122 HydrophobicContact CB-CE1 4.19Å; Y122-Y129 HydrophobicContact CD2-CD2 4.15Å; Y122-Y129 HydrophobicContact CD2-CG 4.45Å; Y122-Y129 AromaticContact CE2-CD2 3.73Å; Y122-Y129 HydrophobicContact CE2-CD2 3.73Å; Y122-Y129 AromaticContact CE2-CG 3.78Å; Y122-Y129 HydrophobicContact CE2-CG 3.78Å; Y122-Y129 AromaticContact CZ-CG 3.99Å; Y122-Y129 PolarHBondContact N-O 2.95Å; Y122-Y129 PolarHBondContact O-N 3.4Å
123E98.3Very high97.5Very high134 Ų13452.8 Ų52.863%0.62626%0.263SS*.EExtended strand (participates in β ladder)trans-98.6137.9170.6-167.6-177.9158.900109.8H127 F128E123-H127 CarbonylContact C-O 3.41Å; E123-H127 WeakPolarHBondContact CA-O 3.37Å; E123-F128 HydrophobicContact CB-CD2 4.21Å
124Y98.2Very high97.4Very high78 Ų7853.5 Ų53.531%0.30627%0.268SS..EExtended strand (participates in β ladder)trans-148.1128.2173.9176.8-97.9000110Q96 A100 E126 H127 Y129Q96-Y124 HydrophobicContact CG-CD1 4.13Å; Q96-Y124 HydrophobicContact CG-CD2 3.98Å; Q96-Y124 HydrophobicContact CG-CE1 4.37Å; Q96-Y124 HydrophobicContact CG-CE2 4.22Å; Q96-Y124 HydrophobicContact CG-CG 3.92Å; A100-Y124 HydrophobicContact CB-CD1 3.77Å; A100-Y124 HydrophobicContact CB-CE1 3.51Å; Y124-E126 VanDerWaalsContact C-N 3.29Å; Y124-E126 PolarHBondContact O-N 3.02Å; Y124-H127 PolarHBondContact N-O 2.71Å; Y124-H127 PolarHBondContact O-N 3.39Å; Y124-H127 VanDerWaalsContact O-N 3.14Å; Y124-Y129 HydrophobicContact CD1-CE2 4.36Å; Y124-Y129 WeakPolarHBondContact O-CE2 3.36Å
125A95.2Very high97.4Very high67 Ų6754.3 Ų54.355%0.55428%0.275SS*.THydrogen-bonded Turntrans49.747.3-177.600000112.9H127A125-H127 PolarHBondContact O-N 3.44Å; A125-H127 PolarHBondContact O-ND1 2.86Å
126E97Very high97.3Very high174 Ų17454.4 Ų54.481%0.81328%0.277SS*.THydrogen-bonded Turntrans67.110.2178.4-54.8174.4-166.300115.4Y124Y124-E126 VanDerWaalsContact C-N 3.29Å; Y124-E126 PolarHBondContact O-N 3.02Å
127H98.5Very high97.2Very high50 Ų5055.9 Ų55.923%0.23129%0.294CS..EExtended strand (participates in β ladder)trans-120154.4177.2-59.982.7000110.9Q103 V108 E123 Y124 A125 Y129Q103-H127 VanDerWaalsContact CD-CD2 3.42Å; Q103-H127 VanDerWaalsContact CD-CG 3.49Å; Q103-H127 HydrophobicContact CG-CB 4.11Å; Q103-H127 PolarHBondContact NE2-CD2 2.85Å; Q103-H127 PolarHBondContact NE2-NE2 2.89Å; V108-H127 PolarHBondContact O-CD2 2.76Å; V108-H127 VanDerWaalsContact O-CD2 3.25Å; E123-H127 CarbonylContact C-O 3.41Å; E123-H127 WeakPolarHBondContact CA-O 3.37Å; Y124-H127 PolarHBondContact N-O 2.71Å; Y124-H127 PolarHBondContact O-N 3.39Å; Y124-H127 VanDerWaalsContact O-N 3.14Å; A125-H127 PolarHBondContact O-N 3.44Å; A125-H127 PolarHBondContact O-ND1 2.86Å; H127-Y129 HydrophobicContact CB-CE2 3.95Å; H127-Y129 WeakPolarHBondContact O-CD2 3.16Å; H127-Y129 WeakPolarHBondContact O-CE2 3.02Å
128F98.5Very high97.1Very high78 Ų7855.4 Ų55.434%0.34229%0.292SS..EExtended strand (participates in β ladder)trans-103.4137.6-176.4-152.2-102.7000111.8D109 I110 L111 A121 E123 I130D109-F128 PolarHBondContact O-N 3.32Å; I110-F128 CarbonylContact C-O 3.6Å; I110-F128 VanDerWaalsContact CA-O 3.24Å; I110-F128 WeakPolarHBondContact CA-O 3.49Å; I110-F128 HydrophobicContact CG1-CB 4.17Å; I110-F128 HydrophobicContact CG2-CB 4.39Å; L111-F128 PolarHBondContact N-O 2.99Å; A121-F128 HydrophobicContact CB-CE1 4.35Å; A121-F128 HydrophobicContact CB-CZ 4.34Å; E123-F128 HydrophobicContact CB-CD2 4.21Å; F128-I130 HydrophobicContact CD1-CD1 3.89Å; F128-I130 HydrophobicContact CD1-CG1 3.64Å; F128-I130 HydrophobicContact CE1-CD1 3.96Å; F128-I130 HydrophobicContact CE1-CG1 3.69Å
129Y98.7Very high96.9Very high4 Ų459 Ų592%0.01630%0.304CS..EExtended strand (participates in β ladder)trans-123.6133.9-177.5-61.9-98.9000109.3L99 A100 Q103 L111 A121 Y122 Y124 H127L99-Y129 HydrophobicContact CB-CD1 4.16Å; L99-Y129 HydrophobicContact CB-CE1 4.07Å; A100-Y129 WeakPolarHBondContact CA-OH 3.45Å; Q103-Y129 HydrophobicContact CB-CE1 3.95Å; Q103-Y129 WeakPolarHBondContact CB-OH 3.4Å; Q103-Y129 HydrophobicContact CG-CE1 4.34Å; L111-Y129 HydrophobicContact CB-CD1 3.93Å; L111-Y129 HydrophobicContact CB-CE1 4.07Å; L111-Y129 HydrophobicContact CD2-CD1 4.14Å; L111-Y129 HydrophobicContact CD2-CE1 4Å; L111-Y129 WeakPolarHBondContact O-CA 3.38Å; A121-Y129 WeakPolarHBondContact CA-O 3.41Å; Y122-Y129 HydrophobicContact CD2-CD2 4.15Å; Y122-Y129 HydrophobicContact CD2-CG 4.45Å; Y122-Y129 AromaticContact CE2-CD2 3.73Å; Y122-Y129 HydrophobicContact CE2-CD2 3.73Å; Y122-Y129 AromaticContact CE2-CG 3.78Å; Y122-Y129 HydrophobicContact CE2-CG 3.78Å; Y122-Y129 AromaticContact CZ-CG 3.99Å; Y122-Y129 PolarHBondContact N-O 2.95Å; Y122-Y129 PolarHBondContact O-N 3.4Å; Y124-Y129 HydrophobicContact CD1-CE2 4.36Å; Y124-Y129 WeakPolarHBondContact O-CE2 3.36Å; H127-Y129 HydrophobicContact CB-CE2 3.95Å; H127-Y129 WeakPolarHBondContact O-CD2 3.16Å; H127-Y129 WeakPolarHBondContact O-CE2 3.02Å
130I98.7Very high96.5Very high34 Ų3451.9 Ų51.917%0.17427%0.274CS..EExtended strand (participates in β ladder)trans-131.9135.4-178-56.2176.1000109.8V5 I110 L111 I112 S113 E120 F128V5-I130 HydrophobicContact CG1-CG2 4.32Å; I110-I130 HydrophobicContact CG2-CD1 3.97Å; I110-I130 HydrophobicContact CG2-CG1 4.31Å; L111-I130 PolarHBondContact O-N 3.17Å; I112-I130 WeakPolarHBondContact CA-O 3.46Å; I112-I130 HydrophobicContact CG1-CB 4.27Å; S113-I130 PolarHBondContact N-O 3.15Å; E120-I130 CarbonylContact O-C 3.52Å; E120-I130 WeakPolarHBondContact O-CA 3.46Å; F128-I130 HydrophobicContact CD1-CD1 3.89Å; F128-I130 HydrophobicContact CD1-CG1 3.64Å; F128-I130 HydrophobicContact CE1-CD1 3.96Å; F128-I130 HydrophobicContact CE1-CG1 3.69Å
131N98.4Very high95.7Very high2 Ų252.6 Ų52.61%0.01128%0.284CS..EExtended strand (participates in β ladder)trans-126.5117.8162.1-166.2-40.7000109.2S113 G114 T116 K118 F119 E120 G133S113-N131 VanDerWaalsContact O-CA 3.24Å; S113-N131 WeakPolarHBondContact O-CA 3.4Å; G114-N131 PolarHBondContact O-ND2 3.27Å; T116-N131 PolarHBondContact OG1-ND2 2.92Å; K118-N131 WeakPolarHBondContact O-CB 3.36Å; K118-N131 PolarHBondContact O-OD1 2.82Å; F119-N131 VanDerWaalsContact CA-O 3.32Å; F119-N131 WeakPolarHBondContact CA-O 3.42Å; F119-N131 WeakPolarHBondContact CD2-O 3.43Å; E120-N131 HydrophobicContact CB-CB 4.05Å; E120-N131 PolarHBondContact N-O 3.39Å; E120-N131 PolarHBondContact O-N 3.27Å; N131-G133 PolarHBondContact O-N 2.84Å; N131-G133 PolarHBondContact OD1-N 3.1Å
132P97.9Very high94.4Very high30 Ų3053.7 Ų53.720%0.19528%0.279CS..EExtended strand (participates in β ladder)trans-73.1-10.2-178.631.9-35.2000113V5 T37 S113V5-P132 HydrophobicContact CB-CB 4.49Å; V5-P132 HydrophobicContact CG1-CB 4.02Å; V5-P132 HydrophobicContact CG1-CG 3.97Å; T37-P132 HydrophobicContact CG2-CG 4.16Å; S113-P132 WeakPolarHBondContact O-CD 3.47Å
133G96.9Very high92.8Very high2 Ų256 Ų562%0.02129%0.292CS..  trans65.6-161.6-166.600000112.4H117 N131H117-G133 VanDerWaalsContact C-CA 3.48Å; H117-G133 WeakPolarHBondContact O-CA 3.37Å; N131-G133 PolarHBondContact O-N 2.84Å; N131-G133 PolarHBondContact OD1-N 3.1Å
134S97Very high90.4Very high22 Ų2262 Ų6215%0.15432%0.316CS..  trans-86.2124.1178.1175.70000112.6D8 H117 T136 G137 A138D8-S134 PolarHBondContact O-OG 3.38Å; H117-S134 PolarHBondContact O-N 3.34Å; S134-T136 PolarHBondContact O-N 3.49Å; S134-T136 PolarHBondContact OG-N 2.9Å; S134-T136 PolarHBondContact OG-OG1 2.7Å; S134-G137 PolarHBondContact O-N 3.31Å; S134-G137 PolarHBondContact OG-N 2.73Å; S134-G137 VanDerWaalsContact OG-N 3.13Å; S134-A138 PolarHBondContact OG-N 2.91Å
135A97.1Very high90Very high19 Ų1961.3 Ų61.316%0.15732%0.317CS..THydrogen-bonded Turntrans-60.4-18.3174.900000113.9I6 G7 F9 L18I6-A135 HydrophobicContact CD1-CB 3.97Å; I6-A135 HydrophobicContact CG1-CB 3.63Å; G7-A135 VanDerWaalsContact O-CB 3.26Å; G7-A135 WeakPolarHBondContact O-CB 3.36Å; G7-A135 PolarHBondContact O-N 3.16Å; F9-A135 HydrophobicContact CD1-CB 3.87Å; F9-A135 HydrophobicContact CD2-CB 4.3Å; F9-A135 HydrophobicContact CE1-CB 3.76Å; F9-A135 HydrophobicContact CE2-CB 4.21Å; F9-A135 HydrophobicContact CG-CB 4.17Å; F9-A135 HydrophobicContact CZ-CB 3.96Å; L18-A135 HydrophobicContact CD2-CB 3.9Å; L18-A135 VanDerWaalsContact CD2-O 3.3Å; L18-A135 WeakPolarHBondContact CD2-O 3.42Å
136T96.3Very high89.7Confident20 Ų2060.9 Ų60.912%0.12330%0.304CS..THydrogen-bonded Turntrans-121.5-0.9-174.360.80000113.3F9 I11 K15 L18 S134 A138F9-T136 HydrophobicContact CB-CG2 4.38Å; F9-T136 HydrophobicContact CD1-CG2 4.22Å; F9-T136 WeakPolarHBondContact O-CG2 3.33Å; F9-T136 PolarHBondContact O-OG1 2.98Å; I11-T136 HydrophobicContact CD1-CG2 3.76Å; I11-T136 HydrophobicContact CG1-CG2 4.11Å; K15-T136 HydrophobicContact CB-CG2 4.36Å; K15-T136 WeakPolarHBondContact CE-O 3.48Å; K15-T136 WeakPolarHBondContact CG-OG1 3.43Å; L18-T136 HydrophobicContact CD2-CG2 3.71Å; L18-T136 HydrophobicContact CG-CG2 4.42Å; S134-T136 PolarHBondContact O-N 3.49Å; S134-T136 PolarHBondContact OG-N 2.9Å; S134-T136 PolarHBondContact OG-OG1 2.7Å; T136-A138 PolarHBondContact O-N 3.22Å; T136-A138 PolarHBondContact OG1-N 3.27Å
137G94Very high89.3Confident41 Ų4154.7 Ų54.742%0.42328%0.276SS..  trans56.737.8-16800000111.6K15 S134K15-G137 WeakPolarHBondContact CE-O 3.37Å; K15-G137 PolarHBondContact NZ-O 3.26Å; S134-G137 PolarHBondContact O-N 3.31Å; S134-G137 PolarHBondContact OG-N 2.73Å; S134-G137 VanDerWaalsContact OG-N 3.13Å
138A93.6Very high88.7Confident0 Ų054.9 Ų54.90%028%0.279CS..  trans-61.7143.1174.300000109.7H10 R14 K15 H117 S134 T136 S140H10-A138 HydrophobicContact CB-CB 4.11Å; R14-A138 HydrophobicContact CB-CB 4.02Å; K15-A138 HydrophobicContact CG-CB 4.04Å; H117-A138 PolarHBondContact CE1-O 3.22Å; H117-A138 PolarHBondContact ND1-O 3.19Å; S134-A138 PolarHBondContact OG-N 2.91Å; T136-A138 PolarHBondContact O-N 3.22Å; T136-A138 PolarHBondContact OG1-N 3.27Å; A138-S140 PolarHBondContact O-N 2.84Å
139Y90.2Very high88.1Confident162 Ų16253.5 Ų53.564%0.63528%0.275SS*.  trans-57.6136.3176.3170.4-100000110.6R14R14-Y139 PolarHBondContact NH1-O 3.15Å
140S87.9Confident87.4Confident4 Ų456.8 Ų56.83%0.02829%0.292CS..  trans-132.1141.6165.8170.60000109.1H117 A138 F142 E143H117-S140 VanDerWaalsContact CG-CB 3.4Å; H117-S140 WeakPolarHBondContact ND1-CB 3.24Å; A138-S140 PolarHBondContact O-N 2.84Å; S140-F142 PolarHBondContact O-N 2.91Å; S140-F142 PolarHBondContact OG-N 3.36Å; S140-E143 PolarHBondContact O-N 3.33Å; S140-E143 VanDerWaalsContact O-N 3.14Å
141P81.2Confident86.6Confident85 Ų8558.4 Ų58.455%0.55230%0.3SS*.THydrogen-bonded Turntrans-61.8-7174.526.8-34.6000113.9
142F70.6Confident85.7Confident73 Ų7362.8 Ų62.832%0.3232%0.323SS..THydrogen-bonded Turntrans-85.9-19.3176.2-84.2-94000114.6W93 K118 S140 K144W93-F142 HydrophobicContact CB-CZ 4.49Å; W93-F142 HydrophobicContact CD2-CE2 4.4Å; W93-F142 HydrophobicContact CD2-CZ 4.34Å; W93-F142 HydrophobicContact CE3-CD2 4.24Å; W93-F142 HydrophobicContact CE3-CE1 4.29Å; W93-F142 AromaticContact CE3-CE2 3.18Å; W93-F142 HydrophobicContact CE3-CE2 3.18Å; W93-F142 AromaticContact CE3-CZ 3.24Å; W93-F142 HydrophobicContact CE3-CZ 3.24Å; W93-F142 AromaticContact CZ3-CE2 3.43Å; W93-F142 HydrophobicContact CZ3-CE2 3.43Å; W93-F142 VanDerWaalsContact CZ3-CE2 3.43Å; W93-F142 AromaticContact CZ3-CZ 3.8Å; W93-F142 HydrophobicContact CZ3-CZ 3.8Å; K118-F142 WeakPolarHBondContact CE-O 3.2Å; K118-F142 PolarHBondContact NZ-O 3.04Å; S140-F142 PolarHBondContact O-N 2.91Å; S140-F142 PolarHBondContact OG-N 3.36Å; F142-K144 PolarHBondContact O-N 3.11Å; F142-K144 VanDerWaalsContact O-N 3.15Å
143E64Low84.7Confident96 Ų9665.5 Ų65.545%0.44933%0.333SS..  trans-75.8101.7171.3-68.4-170.215700108.4S140S140-E143 PolarHBondContact O-N 3.33Å; S140-E143 VanDerWaalsContact O-N 3.14Å
144K47.6Very low83.6Confident262 Ų26271.3 Ų71.3100%1.13936%0.362SS*.  trans-107.10162.3-74.1-172.5-180179.40108.1F142F142-K144 PolarHBondContact O-N 3.11Å; F142-K144 VanDerWaalsContact O-N 3.15Å

Retrieved 144 of 144 residues in 35 ms (Link to these results)