A0A061HUX1_CRIGR Loading...

Integrin beta-1-binding protein 2

May play a role during maturation and/or organization of muscles cells.

AlphaFold DB , UniProt , Accession A0A061HUX1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Itgb1bp2, Length 351 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
1M67.5Low81Confident201 Ų20168.5 Ų68.599%0.9940%0.401SS*.  0106.60-85.9-177.6-177.900103.6L3 D15 P16M1-L3 PolarHBondContact O-N 2.72Å; M1-D15 VanDerWaalsContact C-OD1 3.28Å; M1-D15 PolarHBondContact N-OD1 3.25Å; M1-P16 WeakPolarHBondContact O-CD 3.23Å
2S79.5Confident81.2Confident74 Ų7472.2 Ų72.252%0.51741%0.411SS..PPolyproline II helixtrans-74.7124.3-175.455.70000110.1F14S2-F14 CarbonylContact C-O 3.55Å; S2-F14 WeakPolarHBondContact CA-O 3.41Å
3L84.5Confident81.5Confident73 Ų7376.8 Ų76.838%0.38243%0.427SS..EExtended strand (participates in β ladder)trans-100.1147.9174.3-61.9-176.1000109.9M1 H13 F14 P16 A66M1-L3 PolarHBondContact O-N 2.72Å; L3-H13 CarbonylContact O-C 3.56Å; L3-H13 VanDerWaalsContact O-CA 3.27Å; L3-H13 WeakPolarHBondContact O-CA 3.39Å; L3-F14 HydrophobicContact CB-CD1 4.49Å; L3-F14 HydrophobicContact CB-CE1 4.06Å; L3-F14 HydrophobicContact CB-CZ 4.31Å; L3-F14 PolarHBondContact N-O 3.35Å; L3-F14 WeakPolarHBondContact O-CD1 3.39Å; L3-F14 PolarHBondContact O-N 3.22Å; L3-P16 HydrophobicContact CD1-CG 3.45Å; L3-P16 VanDerWaalsContact CD1-CG 3.45Å; L3-P16 HydrophobicContact CG-CG 3.86Å; L3-A66 HydrophobicContact CB-CB 4.13Å; L3-A66 HydrophobicContact CD1-CB 3.55Å; L3-A66 HydrophobicContact CG-CB 4.46Å
4L85.3Confident81.8Confident73 Ų7372.5 Ų72.538%0.38240%0.402SS..EExtended strand (participates in β ladder)trans-78.7132.7175-174.569.4000110.1H6 G11L4-H6 PolarHBondContact O-N 3.4Å; L4-G11 VanDerWaalsContact CD1-O 3.26Å; L4-G11 WeakPolarHBondContact CD1-O 3.33Å
5C84.8Confident81.9Confident3 Ų372.3 Ų72.32%0.0240%0.4CS..PPolyproline II helixtrans-75.2121.8173.8-1740000110.6N7 C10 Q12 F14 C24 H64 C65C5-N7 VanDerWaalsContact SG-CB 3.58Å; C5-N7 PolarHBondContact SG-N 2.77Å; C5-C10 HydrophobicContact CB-CB 4.4Å; C5-C10 VanDerWaalsContact SG-SG 3.62Å; C5-Q12 WeakPolarHBondContact CB-O 3.19Å; C5-Q12 PolarHBondContact N-O 2.84Å; C5-F14 HydrophobicContact CB-CD1 4.05Å; C5-F14 HydrophobicContact CB-CE1 4.24Å; C5-C24 VanDerWaalsContact SG-SG 3.67Å; C5-H64 HydrophobicContact CB-CB 4.13Å; C5-H64 WeakPolarHBondContact CB-ND1 3.38Å; C5-H64 PolarHBondContact SG-ND1 3.33Å; C5-H64 VanDerWaalsContact SG-ND1 3.39Å; C5-C65 WeakPolarHBondContact CA-O 3.33Å
6H82.7Confident81.8Confident93 Ų9371.6 Ų71.643%0.43140%0.399SS..  trans-934.6176.4-74.8-69.8000113.7L4 C65L4-H6 PolarHBondContact O-N 3.4Å; H6-C65 PolarHBondContact N-O 3.22Å
7N84.8Confident81.6Confident26 Ų2676.5 Ų76.514%0.13943%0.425CS..SBendtrans-64.9137.1172-68-24.5000110.2C5 G9 C10 C24 Y26 P63 C65C5-N7 VanDerWaalsContact SG-CB 3.58Å; C5-N7 PolarHBondContact SG-N 2.77Å; N7-G9 PolarHBondContact O-N 2.98Å; N7-C10 HydrophobicContact CB-CB 4.27Å; N7-C10 PolarHBondContact O-N 3.24Å; N7-C10 VanDerWaalsContact O-N 3.1Å; N7-C24 PolarHBondContact ND2-SG 2.7Å; N7-Y26 HydrophobicContact CB-CD1 4.29Å; N7-Y26 HydrophobicContact CB-CD2 4.12Å; N7-Y26 HydrophobicContact CB-CG 3.74Å; N7-P63 PolarHBondContact ND2-O 2.8Å; N7-C65 PolarHBondContact ND2-N 3.25Å; N7-C65 WeakPolarHBondContact OD1-CB 3.41Å
8K83Confident81.6Confident92 Ų9277.9 Ų77.940%0.444%0.436SS..THydrogen-bonded Turntrans-62.6119.4-172.8-54.1-172.4-169177.10111.1Y26 H27 G29 W40K8-Y26 CarbonylContact O-C 3.59Å; K8-Y26 WeakPolarHBondContact O-CA 3.35Å; K8-Y26 WeakPolarHBondContact O-CB 3.25Å; K8-H27 HydrophobicContact CB-CB 4.38Å; K8-H27 PolarHBondContact O-N 3.45Å; K8-G29 PolarHBondContact NZ-O 3.06Å; K8-W40 HydrophobicContact CB-CH2 3.75Å; K8-W40 HydrophobicContact CB-CZ3 3.86Å; K8-W40 HydrophobicContact CD-CH2 4.2Å; K8-W40 HydrophobicContact CD-CZ3 3.67Å; K8-W40 HydrophobicContact CG-CZ3 4.4Å
9G79.3Confident81.7Confident49 Ų4976.5 Ų76.551%0.50543%0.427SS..THydrogen-bonded Turntrans84.93.6-179.600000115.7N7N7-G9 PolarHBondContact O-N 2.98Å
10C83.3Confident81.7Confident21 Ų2178 Ų7814%0.14243%0.434CS..THydrogen-bonded Turntrans-92.8-63.9174.8177.50000112.3C5 N7 Q12 C24C5-C10 HydrophobicContact CB-CB 4.4Å; C5-C10 VanDerWaalsContact SG-SG 3.62Å; N7-C10 HydrophobicContact CB-CB 4.27Å; N7-C10 PolarHBondContact O-N 3.24Å; N7-C10 VanDerWaalsContact O-N 3.1Å; C10-Q12 PolarHBondContact O-N 3.3Å; C10-C24 WeakPolarHBondContact CB-SG 3.48Å; C10-C24 PolarHBondContact SG-SG 3.41Å
11G76.7Confident81.5Confident49 Ų4978.9 Ų78.951%0.50544%0.443SS..  trans619.9177.400000116.2L4L4-G11 VanDerWaalsContact CD1-O 3.26Å; L4-G11 WeakPolarHBondContact CD1-O 3.33Å
12Q83.1Confident82.2Confident112 Ų11274.2 Ų74.252%0.52342%0.422SS..  trans-84.9154.5-178.2-67.5179.8-900112.3C5 C10C5-Q12 WeakPolarHBondContact CB-O 3.19Å; C5-Q12 PolarHBondContact N-O 2.84Å; C10-Q12 PolarHBondContact O-N 3.3Å
13H85.6Confident82.4Confident133 Ų13372.5 Ų72.562%0.61641%0.41SS*.EExtended strand (participates in β ladder)trans-87.4133.9170.9-69.986.5000110.2L3L3-H13 CarbonylContact O-C 3.56Å; L3-H13 VanDerWaalsContact O-CA 3.27Å; L3-H13 WeakPolarHBondContact O-CA 3.39Å
14F85Confident82.5Confident16 Ų1669 Ų697%0.0739%0.392CS..EExtended strand (participates in β ladder)trans-135150.8-179.174.8-80.4000111.3S2 L3 C5 P16 N19 H64 A66S2-F14 CarbonylContact C-O 3.55Å; S2-F14 WeakPolarHBondContact CA-O 3.41Å; L3-F14 HydrophobicContact CB-CD1 4.49Å; L3-F14 HydrophobicContact CB-CE1 4.06Å; L3-F14 HydrophobicContact CB-CZ 4.31Å; L3-F14 PolarHBondContact N-O 3.35Å; L3-F14 WeakPolarHBondContact O-CD1 3.39Å; L3-F14 PolarHBondContact O-N 3.22Å; C5-F14 HydrophobicContact CB-CD1 4.05Å; C5-F14 HydrophobicContact CB-CE1 4.24Å; F14-P16 HydrophobicContact CE2-CG 4.46Å; F14-N19 HydrophobicContact CD2-CB 4.17Å; F14-N19 HydrophobicContact CE2-CB 4.31Å; F14-H64 HydrophobicContact CB-CB 4.04Å; F14-H64 HydrophobicContact CD1-CB 3.3Å; F14-H64 AromaticContact CD1-CG 3.77Å; F14-H64 HydrophobicContact CD2-CB 3.58Å; F14-H64 HydrophobicContact CE1-CB 3.45Å; F14-H64 VanDerWaalsContact CE1-CB 3.45Å; F14-H64 HydrophobicContact CE2-CB 3.72Å; F14-H64 HydrophobicContact CG-CB 3.35Å; F14-H64 AromaticContact CG-CD2 3.86Å; F14-H64 AromaticContact CG-CG 3.62Å; F14-H64 HydrophobicContact CZ-CB 3.63Å; F14-A66 HydrophobicContact CE1-CB 4.26Å; F14-A66 HydrophobicContact CZ-CB 3.83Å
15D83.8Confident82.6Confident70 Ų7070.6 Ų70.637%0.37440%0.397SS..  trans-89.6125.8170.3-81.4-64.7000109.8M1 N17 T18 N19M1-D15 VanDerWaalsContact C-OD1 3.28Å; M1-D15 PolarHBondContact N-OD1 3.25Å; D15-N17 PolarHBondContact O-N 3.14Å; D15-N17 VanDerWaalsContact O-N 3.07Å; D15-T18 PolarHBondContact O-N 3.41Å; D15-T18 VanDerWaalsContact O-N 3.07Å; D15-T18 PolarHBondContact O-OG1 3.43Å; D15-N19 PolarHBondContact O-N 3.06Å
16P79.5Confident82.7Confident60 Ų6073.1 Ų73.139%0.3941%0.406SS..G310 helixtrans-58.7-25.5-178.3-28.136.4000114.4M1 L3 F14 T18M1-P16 WeakPolarHBondContact O-CD 3.23Å; L3-P16 HydrophobicContact CD1-CG 3.45Å; L3-P16 VanDerWaalsContact CD1-CG 3.45Å; L3-P16 HydrophobicContact CG-CG 3.86Å; F14-P16 HydrophobicContact CE2-CG 4.46Å; P16-T18 VanDerWaalsContact C-N 3.31Å; P16-T18 PolarHBondContact O-N 2.61Å
17N79.6Confident83Confident156 Ų15668.8 Ų68.883%0.83439%0.386SS*.G310 helixtrans-79.5-12.1-177.9-61.9-36.2000113.3D15D15-N17 PolarHBondContact O-N 3.14Å; D15-N17 VanDerWaalsContact O-N 3.07Å
18T80.9Confident83Confident101 Ų10171.2 Ų71.262%0.6241%0.406SS*.G310 helixtrans-125.320.6-178.457.40000112.1D15 P16 L20D15-T18 PolarHBondContact O-N 3.41Å; D15-T18 VanDerWaalsContact O-N 3.07Å; D15-T18 PolarHBondContact O-OG1 3.43Å; P16-T18 VanDerWaalsContact C-N 3.31Å; P16-T18 PolarHBondContact O-N 2.61Å; T18-L20 PolarHBondContact O-N 2.84Å; T18-L20 VanDerWaalsContact O-N 3.1Å
19N83.3Confident83Confident52 Ų5267.2 Ų67.228%0.27839%0.39SS..  trans-77.495.4-177-169.414.3000111.1F14 D15 S23 P63 H64F14-N19 HydrophobicContact CD2-CB 4.17Å; F14-N19 HydrophobicContact CE2-CB 4.31Å; D15-N19 PolarHBondContact O-N 3.06Å; N19-S23 PolarHBondContact OD1-OG 3.45Å; N19-S23 VanDerWaalsContact OD1-OG 3.1Å; N19-P63 WeakPolarHBondContact OD1-CA 3.21Å; N19-H64 PolarHBondContact ND2-O 3.34Å; N19-H64 PolarHBondContact OD1-N 2.92Å
20L82.3Confident83.2Confident106 Ų10668 Ų6856%0.55539%0.385SS*.  trans-79.7152.7177.5-69.4159.8000110.9T18 D22 S23T18-L20 PolarHBondContact O-N 2.84Å; T18-L20 VanDerWaalsContact O-N 3.1Å; L20-D22 WeakPolarHBondContact CB-OD1 3.37Å; L20-D22 PolarHBondContact O-N 3.4Å; L20-D22 VanDerWaalsContact O-N 3.07Å; L20-S23 WeakPolarHBondContact O-CB 3.32Å; L20-S23 PolarHBondContact O-N 2.95Å; L20-S23 PolarHBondContact O-OG 3.22Å
21P77Confident83.2Confident97 Ų9768.9 Ų68.963%0.6339%0.391SS*.THydrogen-bonded Turntrans-66.7-8-178.228.6-35.9000114.2G62P21-G62 CarbonylContact O-C 3.57Å; P21-G62 WeakPolarHBondContact O-CA 2.99Å
22D82.6Confident83.4Confident103 Ų10369 Ų6955%0.55138%0.379SS*.THydrogen-bonded Turntrans-116.911-179.663-24.1000114.2L20 V61L20-D22 WeakPolarHBondContact CB-OD1 3.37Å; L20-D22 PolarHBondContact O-N 3.4Å; L20-D22 VanDerWaalsContact O-N 3.07Å; D22-V61 VanDerWaalsContact CA-CG1 3.47Å; D22-V61 HydrophobicContact CB-CG1 3.87Å
23S83.5Confident83.6Confident37 Ų3769 Ų6926%0.25938%0.377SS..SBendtrans-81-22.1-170.654.30000115.2N19 L20 G62 H64N19-S23 PolarHBondContact OD1-OG 3.45Å; N19-S23 VanDerWaalsContact OD1-OG 3.1Å; L20-S23 WeakPolarHBondContact O-CB 3.32Å; L20-S23 PolarHBondContact O-N 2.95Å; L20-S23 PolarHBondContact O-OG 3.22Å; S23-G62 PolarHBondContact N-O 2.86Å; S23-H64 PolarHBondContact O-NE2 3.41Å; S23-H64 PolarHBondContact OG-CD2 2.66Å
24C86.3Confident83.2Confident0 Ų068.4 Ų68.40%038%0.375CS..EExtended strand (participates in β ladder)trans-115.8125.9-175-178.30000111.8C5 N7 C10 Y26 V61 G62 H64C5-C24 VanDerWaalsContact SG-SG 3.67Å; N7-C24 PolarHBondContact ND2-SG 2.7Å; C10-C24 WeakPolarHBondContact CB-SG 3.48Å; C10-C24 PolarHBondContact SG-SG 3.41Å; C24-Y26 HydrophobicContact CB-CD1 4.48Å; C24-V61 CarbonylContact O-C 3.48Å; C24-V61 VanDerWaalsContact O-CA 3.31Å; C24-V61 WeakPolarHBondContact O-CA 3.43Å; C24-G62 WeakPolarHBondContact CA-O 3.42Å; C24-G62 WeakPolarHBondContact CB-O 3.19Å; C24-G62 PolarHBondContact N-O 3.09Å; C24-G62 PolarHBondContact O-N 3.13Å; C24-H64 HydrophobicContact CB-CB 4.47Å
25H87.5Confident83Confident107 Ų10773.8 Ų73.850%0.49540%0.404SS..EExtended strand (participates in β ladder)trans-96119.3165.9-66.4-101.8000109.6T60H25-T60 CarbonylContact C-O 3.58Å; H25-T60 WeakPolarHBondContact CA-O 3.2Å
26Y87.6Confident82.6Confident55 Ų5574.3 Ų74.322%0.21642%0.418CS..EExtended strand (participates in β ladder)trans-147168.2-176.270.3-81.4000112.9N7 K8 C24 G58 C59 T60N7-Y26 HydrophobicContact CB-CD1 4.29Å; N7-Y26 HydrophobicContact CB-CD2 4.12Å; N7-Y26 HydrophobicContact CB-CG 3.74Å; K8-Y26 CarbonylContact O-C 3.59Å; K8-Y26 WeakPolarHBondContact O-CA 3.35Å; K8-Y26 WeakPolarHBondContact O-CB 3.25Å; C24-Y26 HydrophobicContact CB-CD1 4.48Å; Y26-G58 VanDerWaalsContact C-CA 3.48Å; Y26-G58 CarbonylContact O-C 3.51Å; Y26-G58 WeakPolarHBondContact O-CA 3.41Å; Y26-C59 PolarHBondContact O-N 2.74Å; Y26-T60 WeakPolarHBondContact CD1-O 3.41Å; Y26-T60 HydrophobicContact CE1-CG2 4.11Å; Y26-T60 HydrophobicContact CE2-CG2 4.37Å; Y26-T60 PolarHBondContact N-O 3.02Å; Y26-T60 WeakPolarHBondContact O-CA 3.39Å; Y26-T60 WeakPolarHBondContact O-CB 3.33Å; Y26-T60 PolarHBondContact O-N 3.27Å
27H87.8Confident82.6Confident2 Ų274.3 Ų74.31%0.00942%0.415CS..  trans-95.1118.8174.5-68.4-64.2000110.7K8 W40 C43 I56 E57K8-H27 HydrophobicContact CB-CB 4.38Å; K8-H27 PolarHBondContact O-N 3.45Å; H27-W40 HydrophobicContact CB-CB 4.48Å; H27-W40 HydrophobicContact CB-CD2 3.61Å; H27-W40 HydrophobicContact CB-CE3 3.51Å; H27-W40 HydrophobicContact CB-CG 4.05Å; H27-W40 HydrophobicContact CB-CH2 4.47Å; H27-W40 HydrophobicContact CB-CZ3 3.96Å; H27-W40 AromaticContact CD2-CD1 3.58Å; H27-W40 AromaticContact CD2-CD2 3.6Å; H27-W40 AromaticContact CD2-CE2 3.35Å; H27-W40 AromaticContact CD2-CG 3.76Å; H27-W40 AromaticContact CD2-CZ2 3.91Å; H27-W40 AromaticContact CD2-NE1 3.34Å; H27-W40 PolarHBondContact CD2-NE1 3.28Å; H27-W40 VanDerWaalsContact CD2-NE1 3.34Å; H27-W40 AromaticContact CE1-CD1 3.65Å; H27-W40 AromaticContact CE1-CG 3.94Å; H27-W40 AromaticContact CG-CD1 3.82Å; H27-W40 AromaticContact CG-CD2 3.49Å; H27-W40 VanDerWaalsContact CG-CD2 3.49Å; H27-W40 AromaticContact CG-CE2 3.78Å; H27-W40 AromaticContact CG-CE3 3.96Å; H27-W40 AromaticContact CG-CG 3.55Å; H27-W40 AromaticContact CG-NE1 3.95Å; H27-W40 AromaticContact ND1-CD1 3.9Å; H27-W40 AromaticContact ND1-CG 3.72Å; H27-W40 AromaticContact NE2-CD1 3.46Å; H27-W40 AromaticContact NE2-CE2 3.98Å; H27-W40 AromaticContact NE2-CG 3.98Å; H27-W40 AromaticContact NE2-NE1 3.47Å; H27-W40 PolarHBondContact NE2-NE1 2.9Å; H27-C43 PolarHBondContact CE1-SG 3.43Å; H27-C43 PolarHBondContact ND1-SG 3.39Å; H27-I56 PolarHBondContact NE2-O 2.74Å; H27-E57 PolarHBondContact CE1-O 2.88Å; H27-E57 PolarHBondContact NE2-O 3.03Å
28S85.5Confident82.9Confident78 Ų7869.1 Ų69.155%0.54539%0.385SS..  trans-74.6-16.3171.947.80000112.9T60S28-T60 PolarHBondContact OG-OG1 2.98Å
29G83.4Confident83.2Confident7 Ų764.4 Ų64.47%0.07236%0.356CS..SBendtrans-83.9-176.1-178.600000115.4K8 S41 C42K8-G29 PolarHBondContact NZ-O 3.06Å; G29-S41 WeakPolarHBondContact CA-OG 3.28Å; G29-C42 PolarHBondContact N-SG 2.85Å
30V82.1Confident83.4Confident65 Ų6562.9 Ų62.939%0.39435%0.346SS..  trans-104.7149.4171.2-64.90000109.6I32 S41V30-I32 PolarHBondContact O-N 3.1Å; V30-S41 PolarHBondContact N-OG 3Å; V30-S41 PolarHBondContact O-N 3.32Å
31P84.6Confident83.5Confident41 Ų4161.2 Ų61.227%0.26634%0.344SS..EExtended strand (participates in β ladder)trans-56.4131.7167.4-24.535.7000110.5F33 G39 W40 F53P31-F33 HydrophobicContact CB-CE2 3.61Å; P31-F33 HydrophobicContact CB-CZ 3.68Å; P31-G39 CarbonylContact C-O 3.55Å; P31-G39 WeakPolarHBondContact CA-O 3.46Å; P31-W40 HydrophobicContact CG-CE3 4.19Å; P31-W40 HydrophobicContact CG-CH2 3.88Å; P31-W40 HydrophobicContact CG-CZ3 3.66Å; P31-F53 HydrophobicContact CB-CZ 3.86Å; P31-F53 HydrophobicContact CG-CZ 4.27Å
32I81.4Confident84Confident51 Ų5158.7 Ų58.726%0.26233%0.327SS..EExtended strand (participates in β ladder)trans-115.9131.6173.957166.8000108.9V30 G39V30-I32 PolarHBondContact O-N 3.1Å; I32-G39 VanDerWaalsContact CG1-O 3.28Å; I32-G39 WeakPolarHBondContact CG1-O 3.39Å; I32-G39 PolarHBondContact N-O 3.31Å; I32-G39 PolarHBondContact O-N 3.33Å
33F87.1Confident83.9Confident112 Ų11254.9 Ų54.949%0.49131%0.309SS..EExtended strand (participates in β ladder)trans-129.4106.1178.5-53.8-70.7000108P31 L37 K38 F53P31-F33 HydrophobicContact CB-CE2 3.61Å; P31-F33 HydrophobicContact CB-CZ 3.68Å; F33-L37 WeakPolarHBondContact CA-O 3.24Å; F33-K38 HydrophobicContact CD1-CB 3.84Å; F33-K38 HydrophobicContact CD1-CD 4.29Å; F33-K38 HydrophobicContact CD1-CG 3.8Å; F33-K38 HydrophobicContact CE1-CB 3.96Å; F33-K38 HydrophobicContact CE1-CD 4.26Å; F33-K38 HydrophobicContact CE1-CG 4.14Å; F33-F53 HydrophobicContact CE1-CD1 4.28Å; F33-F53 HydrophobicContact CE1-CE1 4.01Å; F33-F53 HydrophobicContact CE1-CZ 4.18Å; F33-F53 AromaticContact CZ-CE1 3.97Å; F33-F53 HydrophobicContact CZ-CE1 3.97Å; F33-F53 HydrophobicContact CZ-CZ 4.09Å
34H77.3Confident83.8Confident121 Ų12164.8 Ų64.856%0.5634%0.341SS*.EExtended strand (participates in β ladder)trans-148.5139.2-179.8-162.9-81.8000109.9A36 L37H34-A36 PolarHBondContact O-N 2.95Å; H34-L37 PolarHBondContact N-O 3.25Å; H34-L37 WeakPolarHBondContact O-CB 3.41Å; H34-L37 PolarHBondContact O-N 3.34Å
35D79.5Confident83.5Confident128 Ų12871 Ų7168%0.68437%0.367SS*.THydrogen-bonded Turntrans49.548.6-179.8-57.5-34.1000114.4L37D35-L37 PolarHBondContact O-N 3.47Å
36A75.4Confident83.5Confident81 Ų8172.3 Ų72.367%0.66937%0.368SS*.THydrogen-bonded Turntrans60.40.7-175.600000115.7H34H34-A36 PolarHBondContact O-N 2.95Å
37L79.4Confident83.3Confident60 Ų6070 Ų7031%0.31436%0.359SS..EExtended strand (participates in β ladder)trans-94134176.1-67.8169.8000110.9F33 H34 D35 R46 T47 V48F33-L37 WeakPolarHBondContact CA-O 3.24Å; H34-L37 PolarHBondContact N-O 3.25Å; H34-L37 WeakPolarHBondContact O-CB 3.41Å; H34-L37 PolarHBondContact O-N 3.34Å; D35-L37 PolarHBondContact O-N 3.47Å; L37-R46 HydrophobicContact CB-CB 4.17Å; L37-R46 HydrophobicContact CD2-CB 4.19Å; L37-T47 CarbonylContact C-O 3.55Å; L37-T47 WeakPolarHBondContact CA-O 3.46Å; L37-V48 HydrophobicContact CD2-CG1 3.68Å
38K86Confident83.2Confident48 Ų4874.7 Ų74.721%0.20939%0.388CS..EExtended strand (participates in β ladder)trans-114.8135.7-178.5-47.1-174.717560.60108.4F33 R46 T47 V48 F50 F53F33-K38 HydrophobicContact CD1-CB 3.84Å; F33-K38 HydrophobicContact CD1-CD 4.29Å; F33-K38 HydrophobicContact CD1-CG 3.8Å; F33-K38 HydrophobicContact CE1-CB 3.96Å; F33-K38 HydrophobicContact CE1-CD 4.26Å; F33-K38 HydrophobicContact CE1-CG 4.14Å; K38-R46 CarbonylContact O-C 3.08Å; K38-R46 VanDerWaalsContact O-CA 3.31Å; K38-R46 WeakPolarHBondContact O-CA 3.41Å; K38-T47 PolarHBondContact N-O 3.33Å; K38-T47 PolarHBondContact O-N 3.33Å; K38-V48 PolarHBondContact NZ-O 2.9Å; K38-F50 HydrophobicContact CD-CB 4.22Å; K38-F50 HydrophobicContact CD-CD2 3.82Å; K38-F53 HydrophobicContact CB-CB 3.86Å; K38-F53 HydrophobicContact CB-CD2 3.95Å; K38-F53 HydrophobicContact CB-CG 3.86Å; K38-F53 HydrophobicContact CD-CB 4.4Å
39G88.4Confident83.1Confident1 Ų174.2 Ų74.21%0.0138%0.38CS..EExtended strand (participates in β ladder)trans-169.6-178.9-17900000112.5P31 I32 F53P31-G39 CarbonylContact C-O 3.55Å; P31-G39 WeakPolarHBondContact CA-O 3.46Å; I32-G39 VanDerWaalsContact CG1-O 3.28Å; I32-G39 WeakPolarHBondContact CG1-O 3.39Å; I32-G39 PolarHBondContact N-O 3.31Å; I32-G39 PolarHBondContact O-N 3.33Å; G39-F53 WeakPolarHBondContact O-CE2 3.3Å
40W87.4Confident83.1Confident21 Ų2179 Ų798%0.0840%0.399CS..EExtended strand (participates in β ladder)trans-105.1139.2174.2-66.292.2000109.4K8 H27 P31 C42 C43 F53K8-W40 HydrophobicContact CB-CH2 3.75Å; K8-W40 HydrophobicContact CB-CZ3 3.86Å; K8-W40 HydrophobicContact CD-CH2 4.2Å; K8-W40 HydrophobicContact CD-CZ3 3.67Å; K8-W40 HydrophobicContact CG-CZ3 4.4Å; H27-W40 HydrophobicContact CB-CB 4.48Å; H27-W40 HydrophobicContact CB-CD2 3.61Å; H27-W40 HydrophobicContact CB-CE3 3.51Å; H27-W40 HydrophobicContact CB-CG 4.05Å; H27-W40 HydrophobicContact CB-CH2 4.47Å; H27-W40 HydrophobicContact CB-CZ3 3.96Å; H27-W40 AromaticContact CD2-CD1 3.58Å; H27-W40 AromaticContact CD2-CD2 3.6Å; H27-W40 AromaticContact CD2-CE2 3.35Å; H27-W40 AromaticContact CD2-CG 3.76Å; H27-W40 AromaticContact CD2-CZ2 3.91Å; H27-W40 AromaticContact CD2-NE1 3.34Å; H27-W40 PolarHBondContact CD2-NE1 3.28Å; H27-W40 VanDerWaalsContact CD2-NE1 3.34Å; H27-W40 AromaticContact CE1-CD1 3.65Å; H27-W40 AromaticContact CE1-CG 3.94Å; H27-W40 AromaticContact CG-CD1 3.82Å; H27-W40 AromaticContact CG-CD2 3.49Å; H27-W40 VanDerWaalsContact CG-CD2 3.49Å; H27-W40 AromaticContact CG-CE2 3.78Å; H27-W40 AromaticContact CG-CE3 3.96Å; H27-W40 AromaticContact CG-CG 3.55Å; H27-W40 AromaticContact CG-NE1 3.95Å; H27-W40 AromaticContact ND1-CD1 3.9Å; H27-W40 AromaticContact ND1-CG 3.72Å; H27-W40 AromaticContact NE2-CD1 3.46Å; H27-W40 AromaticContact NE2-CE2 3.98Å; H27-W40 AromaticContact NE2-CG 3.98Å; H27-W40 AromaticContact NE2-NE1 3.47Å; H27-W40 PolarHBondContact NE2-NE1 2.9Å; P31-W40 HydrophobicContact CG-CE3 4.19Å; P31-W40 HydrophobicContact CG-CH2 3.88Å; P31-W40 HydrophobicContact CG-CZ3 3.66Å; W40-C42 PolarHBondContact O-N 3.11Å; W40-C42 VanDerWaalsContact O-N 3.1Å; W40-C43 HydrophobicContact CB-CB 4.11Å; W40-C43 PolarHBondContact O-N 2.76Å; W40-F53 AromaticContact CD1-CE2 3.82Å; W40-F53 HydrophobicContact CD2-CE2 4.32Å; W40-F53 AromaticContact CE2-CE2 3.86Å; W40-F53 AromaticContact CE2-CZ 3.9Å; W40-F53 HydrophobicContact CG-CE2 4.3Å; W40-F53 HydrophobicContact CZ2-CE2 4.42Å; W40-F53 AromaticContact CZ2-CZ 4Å; W40-F53 HydrophobicContact CZ2-CZ 4Å; W40-F53 AromaticContact NE1-CE2 3.51Å; W40-F53 AromaticContact NE1-CZ 3.96Å
41S84.6Confident83.3Confident71 Ų7179.4 Ų79.450%0.49740%0.404SS..THydrogen-bonded Turntrans-60.2-23.3178.166.70000113.5G29 V30G29-S41 WeakPolarHBondContact CA-OG 3.28Å; V30-S41 PolarHBondContact N-OG 3Å; V30-S41 PolarHBondContact O-N 3.32Å
42C85.6Confident83.3Confident43 Ų4382.5 Ų82.529%0.29142%0.415SS..THydrogen-bonded Turntrans-83.4-7.4174.955.10000113.8G29 W40 C59G29-C42 PolarHBondContact N-SG 2.85Å; W40-C42 PolarHBondContact O-N 3.11Å; W40-C42 VanDerWaalsContact O-N 3.1Å; C42-C59 PolarHBondContact SG-SG 3.29Å
43C82.4Confident83.5Confident24 Ų2480.4 Ų80.416%0.16240%0.404CS..  trans-121.9149.5-176.2-660000112.2H27 W40 C59H27-C43 PolarHBondContact CE1-SG 3.43Å; H27-C43 PolarHBondContact ND1-SG 3.39Å; W40-C43 HydrophobicContact CB-CB 4.11Å; W40-C43 PolarHBondContact O-N 2.76Å; C43-C59 WeakPolarHBondContact SG-CB 3.45Å; C43-C59 PolarHBondContact SG-SG 3.03Å
44R79.7Confident83.3Confident245 Ų24580 Ų8093%0.92541%0.406SS*.SBendtrans-86.3-21.3172.4-65.8-176.4-178.51730.4113.2R46R44-R46 PolarHBondContact O-N 3.46Å
45K81.6Confident83.7Confident129 Ų12980.1 Ų80.156%0.56141%0.411SS*.  trans-66.5125.7179-169.2176.1-179.7-176.80109.4I56K45-I56 HydrophobicContact CD-CG1 4.43Å
46R86.7Confident83.9Confident135 Ų13574.4 Ų74.451%0.50938%0.381SS..EExtended strand (participates in β ladder)trans-126.9139.9175.7-59-170.3-173.8-157.62.2109L37 K38 R44L37-R46 HydrophobicContact CB-CB 4.17Å; L37-R46 HydrophobicContact CD2-CB 4.19Å; K38-R46 CarbonylContact O-C 3.08Å; K38-R46 VanDerWaalsContact O-CA 3.31Å; K38-R46 WeakPolarHBondContact O-CA 3.41Å; R44-R46 PolarHBondContact O-N 3.46Å
47T84.2Confident84.3Confident6 Ų678.8 Ų78.84%0.03739%0.387CS..EExtended strand (participates in β ladder)trans-127.4148.1-177.163.60000109.5L37 K38 D49 E52 F53 I56L37-T47 CarbonylContact C-O 3.55Å; L37-T47 WeakPolarHBondContact CA-O 3.46Å; K38-T47 PolarHBondContact N-O 3.33Å; K38-T47 PolarHBondContact O-N 3.33Å; T47-D49 PolarHBondContact OG1-O 3.16Å; T47-E52 HydrophobicContact CG2-CB 3.82Å; T47-F53 WeakPolarHBondContact OG1-CB 3.4Å; T47-F53 PolarHBondContact OG1-N 3.29Å; T47-I56 HydrophobicContact CG2-CD1 4.36Å
48V84.5Confident84.6Confident101 Ų10176.4 Ų76.461%0.61238%0.377SS*.SBendtrans-84.8-27.5171.5-67.70000111L37 K38L37-V48 HydrophobicContact CD2-CG1 3.68Å; K38-V48 PolarHBondContact NZ-O 2.9Å
49D84.3Confident84.6Confident69 Ų6977.2 Ų77.237%0.36939%0.388SS..SBendtrans-85.4142.3177.7-177.2-105.5000112.6T47 S51 E52 F53T47-D49 PolarHBondContact OG1-O 3.16Å; D49-S51 VanDerWaalsContact OD1-CA 3.32Å; D49-S51 WeakPolarHBondContact OD1-CA 3.4Å; D49-S51 WeakPolarHBondContact OD1-CB 3.31Å; D49-S51 PolarHBondContact OD1-N 2.88Å; D49-E52 HydrophobicContact CB-CB 4.19Å; D49-E52 HydrophobicContact CB-CG 4.05Å; D49-E52 PolarHBondContact OD1-N 3.21Å; D49-F53 PolarHBondContact O-N 3.35Å
50F83.6Confident84.5Confident108 Ų10879 Ų7947%0.47440%0.399SS..Hα-helixtrans-78.6-33.7-178.3-170.3-98.7000112.5K38 F53 L54K38-F50 HydrophobicContact CD-CB 4.22Å; K38-F50 HydrophobicContact CD-CD2 3.82Å; F50-F53 HydrophobicContact CD2-CD1 4.37Å; F50-F53 HydrophobicContact CE2-CD1 4.26Å; F50-F53 WeakPolarHBondContact O-CB 3.31Å; F50-F53 PolarHBondContact O-N 2.91Å; F50-L54 HydrophobicContact CD1-CD1 4Å; F50-L54 HydrophobicContact CD1-CG 4.31Å; F50-L54 HydrophobicContact CE1-CD1 3.65Å; F50-L54 HydrophobicContact CE1-CD2 4.36Å; F50-L54 HydrophobicContact CE1-CG 4.02Å; F50-L54 HydrophobicContact CZ-CD1 4.48Å; F50-L54 HydrophobicContact CZ-CD2 4.41Å; F50-L54 HydrophobicContact CZ-CG 4.49Å; F50-L54 PolarHBondContact O-N 2.94Å; F50-L54 VanDerWaalsContact O-N 3.13Å
51S85.6Confident84.5Confident72 Ų7281.7 Ų81.750%0.50342%0.417SS..Hα-helixtrans-68.8-42.2177.6-46.30000110.1D49 F53 L54 N55D49-S51 VanDerWaalsContact OD1-CA 3.32Å; D49-S51 WeakPolarHBondContact OD1-CA 3.4Å; D49-S51 WeakPolarHBondContact OD1-CB 3.31Å; D49-S51 PolarHBondContact OD1-N 2.88Å; S51-F53 VanDerWaalsContact C-N 3.28Å; S51-F53 PolarHBondContact O-N 2.96Å; S51-L54 PolarHBondContact O-N 2.87Å; S51-N55 VanDerWaalsContact O-CG 3.28Å; S51-N55 PolarHBondContact O-N 3.35Å; S51-N55 VanDerWaalsContact O-N 3.15Å; S51-N55 PolarHBondContact O-ND2 3.43Å; S51-N55 VanDerWaalsContact O-ND2 3.14Å
52E83.9Confident84.6Confident107 Ų10778.5 Ų78.550%0.540%0.396SS..Hα-helixtrans-61.7-34.9172.6-69.4-167156.200113.1T47 D49 N55 I56T47-E52 HydrophobicContact CG2-CB 3.82Å; D49-E52 HydrophobicContact CB-CB 4.19Å; D49-E52 HydrophobicContact CB-CG 4.05Å; D49-E52 PolarHBondContact OD1-N 3.21Å; E52-N55 CarbonylContact O-C 3.58Å; E52-N55 PolarHBondContact O-N 2.81Å; E52-I56 WeakPolarHBondContact O-CG1 3.29Å; E52-I56 PolarHBondContact O-N 3.18Å
53F86.2Confident84.6Confident7 Ų779.6 Ų79.63%0.03140%0.403CS..Hα-helixtrans-65-44.5176.9163.1-105.4000112.3P31 F33 K38 G39 W40 T47 D49 F50 S51 N55 I56P31-F53 HydrophobicContact CB-CZ 3.86Å; P31-F53 HydrophobicContact CG-CZ 4.27Å; F33-F53 HydrophobicContact CE1-CD1 4.28Å; F33-F53 HydrophobicContact CE1-CE1 4.01Å; F33-F53 HydrophobicContact CE1-CZ 4.18Å; F33-F53 AromaticContact CZ-CE1 3.97Å; F33-F53 HydrophobicContact CZ-CE1 3.97Å; F33-F53 HydrophobicContact CZ-CZ 4.09Å; K38-F53 HydrophobicContact CB-CB 3.86Å; K38-F53 HydrophobicContact CB-CD2 3.95Å; K38-F53 HydrophobicContact CB-CG 3.86Å; K38-F53 HydrophobicContact CD-CB 4.4Å; G39-F53 WeakPolarHBondContact O-CE2 3.3Å; W40-F53 AromaticContact CD1-CE2 3.82Å; W40-F53 HydrophobicContact CD2-CE2 4.32Å; W40-F53 AromaticContact CE2-CE2 3.86Å; W40-F53 AromaticContact CE2-CZ 3.9Å; W40-F53 HydrophobicContact CG-CE2 4.3Å; W40-F53 HydrophobicContact CZ2-CE2 4.42Å; W40-F53 AromaticContact CZ2-CZ 4Å; W40-F53 HydrophobicContact CZ2-CZ 4Å; W40-F53 AromaticContact NE1-CE2 3.51Å; W40-F53 AromaticContact NE1-CZ 3.96Å; T47-F53 WeakPolarHBondContact OG1-CB 3.4Å; T47-F53 PolarHBondContact OG1-N 3.29Å; D49-F53 PolarHBondContact O-N 3.35Å; F50-F53 HydrophobicContact CD2-CD1 4.37Å; F50-F53 HydrophobicContact CE2-CD1 4.26Å; F50-F53 WeakPolarHBondContact O-CB 3.31Å; F50-F53 PolarHBondContact O-N 2.91Å; S51-F53 VanDerWaalsContact C-N 3.28Å; S51-F53 PolarHBondContact O-N 2.96Å; F53-N55 PolarHBondContact O-N 2.79Å; F53-I56 HydrophobicContact CD2-CD1 3.97Å; F53-I56 WeakPolarHBondContact O-CG1 3.44Å; F53-I56 PolarHBondContact O-N 3.2Å
54L83.4Confident84.7Confident103 Ų10379.4 Ų79.454%0.53940%0.399SS..Hα-helixtrans-64.6-29.7176.2-68.1177.9000112.1F50 S51 I56F50-L54 HydrophobicContact CD1-CD1 4Å; F50-L54 HydrophobicContact CD1-CG 4.31Å; F50-L54 HydrophobicContact CE1-CD1 3.65Å; F50-L54 HydrophobicContact CE1-CD2 4.36Å; F50-L54 HydrophobicContact CE1-CG 4.02Å; F50-L54 HydrophobicContact CZ-CD1 4.48Å; F50-L54 HydrophobicContact CZ-CD2 4.41Å; F50-L54 HydrophobicContact CZ-CG 4.49Å; F50-L54 PolarHBondContact O-N 2.94Å; F50-L54 VanDerWaalsContact O-N 3.13Å; S51-L54 PolarHBondContact O-N 2.87Å; L54-I56 VanDerWaalsContact C-N 3.33Å
55N84.7Confident84.9Confident124 Ų12469.3 Ų69.366%0.66337%0.366SS*.THydrogen-bonded Turntrans-87.25.9179-67-27.1000113.8S51 E52 F53 E57S51-N55 VanDerWaalsContact O-CG 3.28Å; S51-N55 PolarHBondContact O-N 3.35Å; S51-N55 VanDerWaalsContact O-N 3.15Å; S51-N55 PolarHBondContact O-ND2 3.43Å; S51-N55 VanDerWaalsContact O-ND2 3.14Å; E52-N55 CarbonylContact O-C 3.58Å; E52-N55 PolarHBondContact O-N 2.81Å; F53-N55 PolarHBondContact O-N 2.79Å; N55-E57 PolarHBondContact O-N 3.33Å; N55-E57 VanDerWaalsContact O-N 3.13Å
56I83.8Confident84.7Confident8 Ų865.3 Ų65.34%0.04136%0.357CS..  trans-67.5114.3173.3-60.4174.9000108.4H27 K45 T47 E52 F53 L54H27-I56 PolarHBondContact NE2-O 2.74Å; K45-I56 HydrophobicContact CD-CG1 4.43Å; T47-I56 HydrophobicContact CG2-CD1 4.36Å; E52-I56 WeakPolarHBondContact O-CG1 3.29Å; E52-I56 PolarHBondContact O-N 3.18Å; F53-I56 HydrophobicContact CD2-CD1 3.97Å; F53-I56 WeakPolarHBondContact O-CG1 3.44Å; F53-I56 PolarHBondContact O-N 3.2Å; L54-I56 VanDerWaalsContact C-N 3.33Å
57E83.6Confident84Confident173 Ų17366 Ų6681%0.80837%0.366SS*.  trans-58.6139.8177.2-62.7-175.9165.200112.1H27 N55 C59H27-E57 PolarHBondContact CE1-O 2.88Å; H27-E57 PolarHBondContact NE2-O 3.03Å; N55-E57 PolarHBondContact O-N 3.33Å; N55-E57 VanDerWaalsContact O-N 3.13Å; E57-C59 PolarHBondContact O-N 3.12Å
58G86.3Confident82.7Confident10 Ų1073.6 Ų73.610%0.10340%0.398CS..  trans-58128.1179.900000113.2Y26Y26-G58 VanDerWaalsContact C-CA 3.48Å; Y26-G58 CarbonylContact O-C 3.51Å; Y26-G58 WeakPolarHBondContact O-CA 3.41Å
59C86.2Confident81.3Confident65 Ų6575 Ų7544%0.43940%0.401SS..SBendtrans-86.7-4-178.668.10000114.7Y26 C42 C43 E57Y26-C59 PolarHBondContact O-N 2.74Å; C42-C59 PolarHBondContact SG-SG 3.29Å; C43-C59 WeakPolarHBondContact SG-CB 3.45Å; C43-C59 PolarHBondContact SG-SG 3.03Å; E57-C59 PolarHBondContact O-N 3.12Å
60T85.4Confident79.3Confident39 Ų3976.7 Ų76.724%0.23942%0.417CS..EExtended strand (participates in β ladder)trans-121.6139-179.1-54.30000109.5H25 Y26 S28H25-T60 CarbonylContact C-O 3.58Å; H25-T60 WeakPolarHBondContact CA-O 3.2Å; Y26-T60 WeakPolarHBondContact CD1-O 3.41Å; Y26-T60 HydrophobicContact CE1-CG2 4.11Å; Y26-T60 HydrophobicContact CE2-CG2 4.37Å; Y26-T60 PolarHBondContact N-O 3.02Å; Y26-T60 WeakPolarHBondContact O-CA 3.39Å; Y26-T60 WeakPolarHBondContact O-CB 3.33Å; Y26-T60 PolarHBondContact O-N 3.27Å; S28-T60 PolarHBondContact OG-OG1 2.98Å
61V88.1Confident77.4Confident76 Ų7680.3 Ų80.346%0.46144%0.435SS..EExtended strand (participates in β ladder)trans-108133.2179.3176.30000109.1D22 C24D22-V61 VanDerWaalsContact CA-CG1 3.47Å; D22-V61 HydrophobicContact CB-CG1 3.87Å; C24-V61 CarbonylContact O-C 3.48Å; C24-V61 VanDerWaalsContact O-CA 3.31Å; C24-V61 WeakPolarHBondContact O-CA 3.43Å
62G86.6Confident75.2Confident4 Ų483 Ų834%0.04145%0.448CS..EExtended strand (participates in β ladder)trans-165.7-175.7-178.500000112.6P21 S23 C24P21-G62 CarbonylContact O-C 3.57Å; P21-G62 WeakPolarHBondContact O-CA 2.99Å; S23-G62 PolarHBondContact N-O 2.86Å; C24-G62 WeakPolarHBondContact CA-O 3.42Å; C24-G62 WeakPolarHBondContact CB-O 3.19Å; C24-G62 PolarHBondContact N-O 3.09Å; C24-G62 PolarHBondContact O-N 3.13Å
63P86.1Confident73.1Confident67 Ų6783.2 Ų83.244%0.43546%0.459SS..  trans-73.1152.3170.430.4-33.5000111.4N7 N19N7-P63 PolarHBondContact ND2-O 2.8Å; N19-P63 WeakPolarHBondContact OD1-CA 3.21Å
64H85Confident70.8Confident19 Ų1990.6 Ų90.69%0.08849%0.493CS..  trans-65.4144.7171.4-63.2-83.9000111.3C5 F14 N19 S23 C24C5-H64 HydrophobicContact CB-CB 4.13Å; C5-H64 WeakPolarHBondContact CB-ND1 3.38Å; C5-H64 PolarHBondContact SG-ND1 3.33Å; C5-H64 VanDerWaalsContact SG-ND1 3.39Å; F14-H64 HydrophobicContact CB-CB 4.04Å; F14-H64 HydrophobicContact CD1-CB 3.3Å; F14-H64 AromaticContact CD1-CG 3.77Å; F14-H64 HydrophobicContact CD2-CB 3.58Å; F14-H64 HydrophobicContact CE1-CB 3.45Å; F14-H64 VanDerWaalsContact CE1-CB 3.45Å; F14-H64 HydrophobicContact CE2-CB 3.72Å; F14-H64 HydrophobicContact CG-CB 3.35Å; F14-H64 AromaticContact CG-CD2 3.86Å; F14-H64 AromaticContact CG-CG 3.62Å; F14-H64 HydrophobicContact CZ-CB 3.63Å; N19-H64 PolarHBondContact ND2-O 3.34Å; N19-H64 PolarHBondContact OD1-N 2.92Å; S23-H64 PolarHBondContact O-NE2 3.41Å; S23-H64 PolarHBondContact OG-CD2 2.66Å; C24-H64 HydrophobicContact CB-CB 4.47Å
65C82.2Confident68.5Low34 Ų3491.2 Ų91.223%0.2350%0.504CS..  trans-113126.1178-170.90000110.8C5 H6 N7 E67C5-C65 WeakPolarHBondContact CA-O 3.33Å; H6-C65 PolarHBondContact N-O 3.22Å; N7-C65 PolarHBondContact ND2-N 3.25Å; N7-C65 WeakPolarHBondContact OD1-CB 3.41Å; C65-E67 PolarHBondContact SG-N 2.86Å
66A78.5Confident66.4Low44 Ų4494.4 Ų94.436%0.36451%0.514SS..  trans-92.8-9.6175.300000113.2L3 F14L3-A66 HydrophobicContact CB-CB 4.13Å; L3-A66 HydrophobicContact CD1-CB 3.55Å; L3-A66 HydrophobicContact CG-CB 4.46Å; F14-A66 HydrophobicContact CE1-CB 4.26Å; F14-A66 HydrophobicContact CZ-CB 3.83Å
67E72.8Confident64Low150 Ų15097.3 Ų97.370%0.70155%0.546SS*.SBendtrans-86.9122.5178.2-69.3-173.816900110.2C65 L69C65-E67 PolarHBondContact SG-N 2.86Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 3.4Å
68K55.5Low61.9Low165 Ų16595.5 Ų95.572%0.71755%0.55SS*.  trans-68.994.8167.2-172.4179.8-178.3-174.90107.9
69L54.8Low59.4Low130 Ų13099.9 Ų99.968%0.68158%0.584SS**  trans-56.1136.1172.1-76.7165.4000109.1E67 E71E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 3.4Å; L69-E71 PolarHBondContact O-N 2.85Å
70P43.7Very low56.8Low106 Ų106103.4 Ų103.469%0.68860%0.604SS**  trans-53.9131.2171.7-20.730.4000109.5V72P70-V72 PolarHBondContact O-N 3.39Å
71E42.5Very low54.4Low183 Ų183106.7 Ų106.786%0.85563%0.629SS**  trans-59.6102.9171.7-83.8173.8105.700108.6L69L69-E71 PolarHBondContact O-N 2.85Å
72V39.2Very low51.7Low128 Ų128107.8 Ų107.878%0.77664%0.64SS**PPolyproline II helixtrans-66.3128.9173.3178.10000107.6P70 Q74P70-V72 PolarHBondContact O-N 3.39Å; V72-Q74 PolarHBondContact O-N 2.93Å
73P41Very low49.3Very low113 Ų113115.4 Ų115.473%0.73468%0.679SS**PPolyproline II helixtrans-53.1137.9174-2231.1000110.7
74Q37.6Very low47.1Very low162 Ų162119.8 Ų119.876%0.75769%0.693SS**PPolyproline II helixtrans-56.2136.5177.4-64.2-171.76.600110.5V72V72-Q74 PolarHBondContact O-N 2.93Å
75P34.8Very low44.8Very low116 Ų116126 Ų12675%0.75372%0.723SS**PPolyproline II helixtrans-73.7140.9-176.824.9-26000112
76E41.3Very low42.8Very low191 Ų191132.7 Ų132.789%0.89375%0.751SS**PPolyproline II helixtrans-56.7135.4173.4-57177.5110.700111.5
77G33.4Very low41.1Very low69 Ų69139 Ų13971%0.71177%0.77SS**PPolyproline II helixtrans-81.2150.9169.400000112
78P38.4Very low39.3Very low135 Ų135137.3 Ų137.388%0.87777%0.772SS**PPolyproline II helixtrans-80.6150.7-164.932.2-34.5000114.2
79A33.4Very low38.4Very low101 Ų101135.6 Ų135.684%0.83577%0.77SS**PPolyproline II helixtrans-73.9136.217500000113.1
80T32.7Very low37.6Very low139 Ų139137.2 Ų137.285%0.85378%0.779SS**  trans-134.3121147.548.60000108.8
81S34.7Very low37.5Very low109 Ų109136.8 Ų136.876%0.76278%0.775SS**  trans-60.2144.2174.860.80000111.2
82S32.2Very low37.8Very low99 Ų99135.2 Ų135.269%0.69277%0.77SS**  -176.2140.363.7-70.40000111.6
83L36.7Very low38.1Very low163 Ų163133.2 Ų133.285%0.85376%0.76SS**  trans54.4128.5156.5-51.3175.1000117.4
84Q39.8Very low38.6Very low159 Ų159132.1 Ų132.174%0.74374%0.744SS**  cis-170.6150.232.3-127.4167.5-4000108.5
85E36.1Very low39.6Very low150 Ų150127.6 Ų127.670%0.70173%0.73SS**  trans81.7114.2150.9-71.7178.1103.100123.8
86Q40.4Very low40.5Very low175 Ų175125.5 Ų125.582%0.81872%0.723SS**  trans77.1123.2143.5-57.7-169.2-4.200121.3
87K41.4Very low41.1Very low176 Ų176124 Ų12477%0.76572%0.716SS**  trans-75.5140.2-173.6175.9-176.9-177.2-177.90113.2
88P35.7Very low42.1Very low114 Ų114123.3 Ų123.374%0.7470%0.698SS**  trans-112.2144.8137.90.220000111.5N90P88-N90 PolarHBondContact O-N 3.38Å
89L37.2Very low42.9Very low130 Ų130119.5 Ų119.568%0.68167%0.67SS**  trans-66119.9168.9-95.4103.2000109.5T91L89-T91 PolarHBondContact O-N 3.04Å
90N37.6Very low43.9Very low163 Ų163119.6 Ų119.687%0.87266%0.655SS**  trans-77.4100.6164.6-88.3-2.3000109.3P88P88-N90 PolarHBondContact O-N 3.38Å
91T41.1Very low44.9Very low98 Ų98124 Ų12460%0.60166%0.656SS**PPolyproline II helixtrans-84.9121.4162.238.50000109.1L89L89-T91 PolarHBondContact O-N 3.04Å
92I49.3Very low45.8Very low149 Ų149123.4 Ų123.476%0.76464%0.642SS**PPolyproline II helixtrans-64.4131.9169.9-59.8163.2000107.5K94I92-K94 PolarHBondContact O-N 3.09Å
93P46.5Very low47.4Very low86 Ų86121.7 Ų121.756%0.55862%0.62SS**PPolyproline II helixtrans-61.6120.3176.5-18.530000109.9
94K50.1Low48.7Very low91 Ų91116 Ų11640%0.39659%0.593SS.*PPolyproline II helixtrans-70.4147.1177.7-63.9-178.5-175.5-178.20110I92 T98 L99 E102I92-K94 PolarHBondContact O-N 3.09Å; K94-T98 HydrophobicContact CB-CG2 4.43Å; K94-T98 HydrophobicContact CD-CG2 4.28Å; K94-L99 HydrophobicContact CB-CD2 3.83Å; K94-L99 HydrophobicContact CB-CG 4.14Å; K94-L99 HydrophobicContact CD-CD2 4.39Å; K94-E102 WeakPolarHBondContact CD-OE2 3.21Å; K94-E102 WeakPolarHBondContact CE-OE2 3.02Å; K94-E102 IonicContact NZ-OE1 2.86Å; K94-E102 PolarHBondContact NZ-OE1 3.12Å; K94-E102 IonicContact NZ-OE2 2.58Å; K94-E102 PolarHBondContact NZ-OE2 3.24Å
95S58.4Low49.7Very low66 Ų66117.2 Ų117.246%0.46260%0.596SS.*PPolyproline II helixtrans-61.3149177.4770000111.3E97 T98 L99S95-E97 PolarHBondContact O-N 2.9Å; S95-E97 VanDerWaalsContact O-N 3.14Å; S95-T98 WeakPolarHBondContact O-CA 3.29Å; S95-T98 WeakPolarHBondContact O-CB 3.31Å; S95-T98 PolarHBondContact O-N 3Å; S95-T98 PolarHBondContact OG-N 2.84Å; S95-T98 PolarHBondContact OG-OG1 2.81Å; S95-L99 PolarHBondContact O-N 2.83Å
96A54.6Low50.8Low73 Ų73112.9 Ų112.960%0.60358%0.582SS**Hα-helixtrans-55-33.6-179.700000112.9L99 L100A96-L99 PolarHBondContact O-N 3.49Å; A96-L100 WeakPolarHBondContact O-CG 3.37Å; A96-L100 PolarHBondContact O-N 2.88Å
97E52.8Low51.5Low160 Ų160112.5 Ų112.575%0.74858%0.58SS**Hα-helixtrans-68.2-32.3173.4-79.6-179.183.100113.3S95 R101S95-E97 PolarHBondContact O-N 2.9Å; S95-E97 VanDerWaalsContact O-N 3.14Å; E97-R101 PolarHBondContact O-N 2.92Å
98T54.4Low52.6Low53 Ų53110 Ų11033%0.32557%0.573SS.*Hα-helixtrans-72.8-40.1173.6-42.30000111.1K94 S95 L100 R101 E102K94-T98 HydrophobicContact CB-CG2 4.43Å; K94-T98 HydrophobicContact CD-CG2 4.28Å; S95-T98 WeakPolarHBondContact O-CA 3.29Å; S95-T98 WeakPolarHBondContact O-CB 3.31Å; S95-T98 PolarHBondContact O-N 3Å; S95-T98 PolarHBondContact OG-N 2.84Å; S95-T98 PolarHBondContact OG-OG1 2.81Å; T98-L100 VanDerWaalsContact C-N 3.33Å; T98-L100 PolarHBondContact O-N 2.91Å; T98-R101 PolarHBondContact O-N 2.79Å; T98-R101 VanDerWaalsContact O-N 3.16Å; T98-E102 HydrophobicContact CG2-CG 4.35Å; T98-E102 WeakPolarHBondContact O-CB 3.49Å; T98-E102 PolarHBondContact O-N 3.34Å
99L55Low54.4Low56 Ų56109 Ų10929%0.29357%0.567SS.*Hα-helixtrans-64.9-35.3177.5-63.8177.6000112.6K94 S95 A96 R103 D296K94-L99 HydrophobicContact CB-CD2 3.83Å; K94-L99 HydrophobicContact CB-CG 4.14Å; K94-L99 HydrophobicContact CD-CD2 4.39Å; S95-L99 PolarHBondContact O-N 2.83Å; A96-L99 PolarHBondContact O-N 3.49Å; L99-R103 PolarHBondContact O-N 2.61Å; L99-D296 HydrophobicContact CD1-CB 4.19Å; L99-D296 HydrophobicContact CD2-CB 3.87Å; L99-D296 WeakPolarHBondContact CD2-OD2 3.47Å
100L54.4Low56.5Low102 Ų102105.2 Ų105.253%0.53455%0.55SS..Hα-helixtrans-68.8-35.7172.2-72.9170.6000112.4A96 T98A96-L100 WeakPolarHBondContact O-CG 3.37Å; A96-L100 PolarHBondContact O-N 2.88Å; T98-L100 VanDerWaalsContact C-N 3.33Å; T98-L100 PolarHBondContact O-N 2.91Å
101R53.7Low58.9Low231 Ų231102.2 Ų102.287%0.87253%0.529SS*.Hα-helixtrans-76.8-29.5177.8-87.9-174.5169.4179.3-0114.2E97 T98E97-R101 PolarHBondContact O-N 2.92Å; T98-R101 PolarHBondContact O-N 2.79Å; T98-R101 VanDerWaalsContact O-N 3.16Å
102E54.8Low61.2Low98 Ų98103 Ų10346%0.45853%0.529SS..SBendtrans-921.2179.8-73-175.6157.400113.6K94 T98 P104K94-E102 WeakPolarHBondContact CD-OE2 3.21Å; K94-E102 WeakPolarHBondContact CE-OE2 3.02Å; K94-E102 IonicContact NZ-OE1 2.86Å; K94-E102 PolarHBondContact NZ-OE1 3.12Å; K94-E102 IonicContact NZ-OE2 2.58Å; K94-E102 PolarHBondContact NZ-OE2 3.24Å; T98-E102 HydrophobicContact CG2-CG 4.35Å; T98-E102 WeakPolarHBondContact O-CB 3.49Å; T98-E102 PolarHBondContact O-N 3.34Å; E102-P104 WeakPolarHBondContact O-CD 3.38Å
103R65.6Low63.1Low63 Ų6396.2 Ų96.224%0.23849%0.494CS..  trans-52110178.6-169.5178.2-175.3109.2-0.3108.9L99 K105 T250 L270 W271L99-R103 PolarHBondContact O-N 2.61Å; R103-K105 PolarHBondContact O-N 3.28Å; R103-T250 HydrophobicContact CG-CG2 3.88Å; R103-L270 PolarHBondContact NH1-O 3.4Å; R103-L270 PolarHBondContact NH2-O 2.92Å; R103-W271 PolarHBondContact NH1-O 3.15Å
104P64.6Low65Low44 Ų4495.6 Ų95.629%0.28649%0.49SS..  trans-61.4131-178.95.1-3.8000108.2E102 S106 Q249E102-P104 WeakPolarHBondContact O-CD 3.38Å; P104-S106 PolarHBondContact O-N 3.47Å; P104-Q249 HydrophobicContact CG-CB 4.41Å
105K59Low66.8Low183 Ų18394.6 Ų94.680%0.79649%0.489SS*.  trans-56.7136.5171.9-72.6-178.6178.9177.30108R103 E107R103-K105 PolarHBondContact O-N 3.28Å; K105-E107 HydrophobicContact CB-CG 4.28Å; K105-E107 PolarHBondContact O-N 3.21Å
106S60.5Low68.3Low59 Ų5995.7 Ų95.741%0.41349%0.488SS..SBendtrans-66.565179.6-167.40000110.6P104 E251P104-S106 PolarHBondContact O-N 3.47Å; S106-E251 WeakPolarHBondContact CB-OE1 3.34Å; S106-E251 VanDerWaalsContact OG-CD 3.29Å; S106-E251 PolarHBondContact OG-OE1 2.75Å
107E55.3Low70.1Confident167 Ų16796.5 Ų96.578%0.7848%0.482SS*.  trans-108-10176.9-63.8-154.2157.300112.2K105K105-E107 HydrophobicContact CB-CG 4.28Å; K105-E107 PolarHBondContact O-N 3.21Å
108M63.2Low71.9Confident123 Ų12390.2 Ų90.261%0.60646%0.455SS*.SBendtrans-86.8129.6174.5-69.4-62.8-67.100110.7S248M108-S248 PolarHBondContact O-OG 3.04Å
109P74.3Confident73.5Confident95 Ų9596.1 Ų96.162%0.61748%0.479SS*.PPolyproline II helixtrans-63.8141.5179.326.1-33.1000110.5K111P109-K111 PolarHBondContact O-N 3.14Å
110P82.1Confident75.2Confident50 Ų5096.2 Ų96.233%0.32549%0.488SS..PPolyproline II helixtrans-67.1132-177.530.5-36.5000110.1K246 A247P110-K246 HydrophobicContact CB-CB 4.02Å; P110-K246 HydrophobicContact CG-CB 4.44Å; P110-A247 CarbonylContact C-O 3.58Å; P110-A247 WeakPolarHBondContact CA-O 3.17Å
111K87.4Confident76.8Confident99 Ų9991.4 Ų91.443%0.4346%0.463SS..EExtended strand (participates in β ladder)trans-89.9145.9179.6-60.6-179.6177.2178.90109.9P109 L113 K246 A247 V276 E277P109-K111 PolarHBondContact O-N 3.14Å; K111-L113 PolarHBondContact O-N 2.87Å; K111-K246 CarbonylContact O-C 3.54Å; K111-K246 VanDerWaalsContact O-CA 3.26Å; K111-K246 WeakPolarHBondContact O-CA 3.45Å; K111-A247 PolarHBondContact N-O 3.29Å; K111-A247 PolarHBondContact O-N 3.43Å; K111-V276 HydrophobicContact CB-CG1 3.85Å; K111-V276 HydrophobicContact CD-CG1 4.16Å; K111-V276 HydrophobicContact CG-CG1 4.38Å; K111-E277 IonicContact NZ-OE1 3.04Å; K111-E277 PolarHBondContact NZ-OE1 2.91Å
112L89.2Confident78.3Confident115 Ų11581.4 Ų81.460%0.60243%0.432SS*.EExtended strand (participates in β ladder)trans-69.7127.2171.6-76.2165.2000109.9W244 V245 K246L112-W244 HydrophobicContact CD2-CB 3.97Å; L112-V245 WeakPolarHBondContact CA-O 3.49Å; L112-K246 HydrophobicContact CD2-CD 4.28Å; L112-K246 HydrophobicContact CD2-CG 3.46Å; L112-K246 VanDerWaalsContact CD2-CG 3.46Å; L112-K246 HydrophobicContact CG-CG 4.04Å
113L88.5Confident79.9Confident6 Ų680.4 Ų80.43%0.03143%0.433CS..PPolyproline II helixtrans-77.4144.3174.4-65.3-174000110.6K111 L115 V245 A247 V276 V281 I290 L292K111-L113 PolarHBondContact O-N 2.87Å; L113-L115 PolarHBondContact O-N 3.23Å; L113-V245 HydrophobicContact CD1-CG1 3.9Å; L113-V245 HydrophobicContact CG-CG1 4.45Å; L113-V245 PolarHBondContact N-O 3.38Å; L113-A247 HydrophobicContact CD1-CB 3.91Å; L113-A247 HydrophobicContact CD2-CB 3.89Å; L113-A247 HydrophobicContact CG-CB 3.88Å; L113-V276 HydrophobicContact CD2-CG1 3.89Å; L113-V276 WeakPolarHBondContact CD2-O 3.37Å; L113-V281 HydrophobicContact CB-CG2 3.84Å; L113-V281 HydrophobicContact CD1-CG2 4.14Å; L113-I290 HydrophobicContact CD1-CG2 4.29Å; L113-L292 HydrophobicContact CD1-CD2 3.88Å
114P86.5Confident80.9Confident73 Ų7378.6 Ų78.647%0.47443%0.431SS..PPolyproline II helixtrans-64.4129.4176.226.8-33.5000110.7S279 V281P114-S279 WeakPolarHBondContact CD-O 3.36Å; P114-V281 PolarHBondContact O-N 3.29Å
115L89.2Confident81.8Confident70 Ų7078.2 Ų78.237%0.36643%0.426SS..EExtended strand (participates in β ladder)trans-91.2122174.9-71.4140.5000109.7L113 N243 V281 L283L113-L115 PolarHBondContact O-N 3.23Å; L115-N243 VanDerWaalsContact CD1-O 3.32Å; L115-N243 WeakPolarHBondContact CD1-O 3.42Å; L115-N243 HydrophobicContact CD2-CB 4.19Å; L115-V281 CarbonylContact C-O 3.5Å; L115-V281 HydrophobicContact CD2-CB 4.13Å; L115-V281 HydrophobicContact CD2-CG1 3.95Å; L115-L283 HydrophobicContact CD2-CD1 4.01Å; L115-L283 HydrophobicContact CD2-CD2 4.08Å; L115-L283 HydrophobicContact CD2-CG 4.13Å
116I89.7Confident82.9Confident89 Ų8975 Ų7546%0.45641%0.414SS..EExtended strand (participates in β ladder)trans-108114.2178.3-56.3173.3000107.1V281 S282 L283I116-V281 PolarHBondContact N-O 3.38Å; I116-S282 CarbonylContact O-C 3.57Å; I116-S282 WeakPolarHBondContact O-CA 3.27Å; I116-L283 PolarHBondContact O-N 2.95Å
117I91Very high83.9Confident90 Ų9077.8 Ų77.846%0.46242%0.421SS..EExtended strand (participates in β ladder)trans-90119.7179.3-55.5169.5000107.7L121 P240 L283I117-L121 HydrophobicContact CG2-CB 4.4Å; I117-L121 HydrophobicContact CG2-CD2 4.14Å; I117-L121 HydrophobicContact CG2-CG 4.37Å; I117-P240 HydrophobicContact CD1-CB 3.6Å; I117-P240 HydrophobicContact CD1-CG 3.84Å; I117-P240 HydrophobicContact CG1-CB 4.05Å; I117-P240 HydrophobicContact CG1-CG 4.13Å; I117-P240 HydrophobicContact CG2-CG 4.45Å; I117-L283 HydrophobicContact CG1-CD1 4.36Å
118S91.1Very high84.9Confident28 Ų2872.9 Ų72.920%0.19640%0.397CS..  trans-67.4146.8174.765.10000111.1A120 L121 G122 L283 M284S118-A120 PolarHBondContact O-N 3.29Å; S118-L121 PolarHBondContact O-N 3.42Å; S118-L121 WeakPolarHBondContact OG-CB 3.47Å; S118-L121 PolarHBondContact OG-N 2.86Å; S118-G122 PolarHBondContact O-N 2.94Å; S118-G122 VanDerWaalsContact O-N 3.14Å; S118-L283 VanDerWaalsContact CB-O 3.29Å; S118-L283 WeakPolarHBondContact CB-O 3.5Å; S118-L283 PolarHBondContact N-O 2.76Å; S118-L283 PolarHBondContact OG-O 2.92Å; S118-M284 WeakPolarHBondContact OG-CA 3.35Å
119Q88.9Confident85.3Confident177 Ų17771.4 Ų71.483%0.82739%0.388SS*.Hα-helixtrans-57.2-38.8178.1-173176.737.100111.9L121 G122 V123Q119-L121 VanDerWaalsContact C-N 3.32Å; Q119-L121 PolarHBondContact O-N 2.84Å; Q119-G122 PolarHBondContact O-N 2.95Å; Q119-V123 PolarHBondContact O-N 3.11Å; Q119-V123 VanDerWaalsContact O-N 3.09Å
120A90.6Very high84.9Confident59 Ų5973.7 Ų73.749%0.48839%0.394SS..Hα-helixtrans-62.3-37.2177.300000112.7S118 A124 P285S118-A120 PolarHBondContact O-N 3.29Å; A120-A124 WeakPolarHBondContact O-CB 3.44Å; A120-A124 PolarHBondContact O-N 3.3Å; A120-P285 HydrophobicContact CB-CG 3.8Å
121L88.2Confident83.9Confident0 Ų076.8 Ų76.80%041%0.408CS..Hα-helixtrans-68.6-38.6175.1177.662.1000111.5I117 S118 Q119 A124 L125 I237 P238 L283 P285I117-L121 HydrophobicContact CG2-CB 4.4Å; I117-L121 HydrophobicContact CG2-CD2 4.14Å; I117-L121 HydrophobicContact CG2-CG 4.37Å; S118-L121 PolarHBondContact O-N 3.42Å; S118-L121 WeakPolarHBondContact OG-CB 3.47Å; S118-L121 PolarHBondContact OG-N 2.86Å; Q119-L121 VanDerWaalsContact C-N 3.32Å; Q119-L121 PolarHBondContact O-N 2.84Å; L121-A124 PolarHBondContact O-N 3.35Å; L121-L125 HydrophobicContact CD1-CD1 4.24Å; L121-L125 HydrophobicContact CD1-CG 4.16Å; L121-L125 HydrophobicContact CG-CD1 4.03Å; L121-L125 HydrophobicContact CG-CG 4.42Å; L121-L125 WeakPolarHBondContact O-CB 3.31Å; L121-L125 VanDerWaalsContact O-CG 3.3Å; L121-L125 WeakPolarHBondContact O-CG 3.14Å; L121-L125 PolarHBondContact O-N 3.12Å; L121-I237 HydrophobicContact CD1-CG2 4.33Å; L121-P238 HydrophobicContact CD1-CG 4.21Å; L121-P238 HydrophobicContact CD2-CG 3.83Å; L121-L283 HydrophobicContact CD2-CB 3.38Å; L121-L283 HydrophobicContact CD2-CD1 4.49Å; L121-P285 HydrophobicContact CB-CG 4.31Å
122G85Confident82.4Confident22 Ų2277.7 Ų77.723%0.22741%0.414CS..Hα-helixtrans-55.2-51.8173.200000111.7S118 Q119 A124 L125 E126S118-G122 PolarHBondContact O-N 2.94Å; S118-G122 VanDerWaalsContact O-N 3.14Å; Q119-G122 PolarHBondContact O-N 2.95Å; G122-A124 PolarHBondContact O-N 3.12Å; G122-L125 PolarHBondContact O-N 3.3Å; G122-E126 WeakPolarHBondContact O-CG 3.37Å; G122-E126 PolarHBondContact O-N 2.79Å
123V87.8Confident80.1Confident77 Ų7779.3 Ų79.347%0.46742%0.419SS..Hα-helixtrans-61.6-42.2178.11770000111.9Q119 L125 E126 Q127Q119-V123 PolarHBondContact O-N 3.11Å; Q119-V123 VanDerWaalsContact O-N 3.09Å; V123-L125 VanDerWaalsContact C-N 3.33Å; V123-L125 PolarHBondContact O-N 3.3Å; V123-E126 PolarHBondContact O-N 2.8Å; V123-Q127 WeakPolarHBondContact O-CB 3.46Å; V123-Q127 PolarHBondContact O-N 2.98Å
124A85.9Confident77.6Confident24 Ų2484 Ų8420%0.19845%0.449CS..Hα-helixtrans-63.8-37.7178.300000112.5A120 L121 G122 K128A120-A124 WeakPolarHBondContact O-CB 3.44Å; A120-A124 PolarHBondContact O-N 3.3Å; L121-A124 PolarHBondContact O-N 3.35Å; G122-A124 PolarHBondContact O-N 3.12Å; A124-K128 WeakPolarHBondContact O-CB 3.14Å; A124-K128 PolarHBondContact O-N 2.93Å
125L85.2Confident75.5Confident37 Ų3783.7 Ų83.719%0.19446%0.46CS..Hα-helixtrans-66.2-45174.5-72.2167.1000111.2L121 G122 V123 Q127 K128 E129 I237 L239 P240L121-L125 HydrophobicContact CD1-CD1 4.24Å; L121-L125 HydrophobicContact CD1-CG 4.16Å; L121-L125 HydrophobicContact CG-CD1 4.03Å; L121-L125 HydrophobicContact CG-CG 4.42Å; L121-L125 WeakPolarHBondContact O-CB 3.31Å; L121-L125 VanDerWaalsContact O-CG 3.3Å; L121-L125 WeakPolarHBondContact O-CG 3.14Å; L121-L125 PolarHBondContact O-N 3.12Å; G122-L125 PolarHBondContact O-N 3.3Å; V123-L125 VanDerWaalsContact C-N 3.33Å; V123-L125 PolarHBondContact O-N 3.3Å; L125-Q127 PolarHBondContact O-N 2.8Å; L125-K128 PolarHBondContact O-N 3.17Å; L125-E129 WeakPolarHBondContact O-CG 3.48Å; L125-E129 PolarHBondContact O-N 3.37Å; L125-I237 HydrophobicContact CD2-CG2 3.38Å; L125-I237 HydrophobicContact CG-CG2 4.12Å; L125-L239 HydrophobicContact CD2-CD2 4.01Å; L125-P240 HydrophobicContact CD1-CG 4Å
126E81.5Confident73.1Confident116 Ų11684.8 Ų84.854%0.54248%0.479SS..Hα-helixtrans-61.8-43177-71174.5107.500112G122 V123 E129 L130G122-E126 WeakPolarHBondContact O-CG 3.37Å; G122-E126 PolarHBondContact O-N 2.79Å; V123-E126 PolarHBondContact O-N 2.8Å; E126-E129 WeakPolarHBondContact O-CB 3.41Å; E126-E129 PolarHBondContact O-N 3.09Å; E126-L130 WeakPolarHBondContact O-CD1 3.46Å; E126-L130 PolarHBondContact O-N 2.09Å
127Q82.3Confident70.9Confident117 Ų11784 Ų8455%0.54749%0.492SS..Hα-helixtrans-65.5-40178.1-171.4152.321.200111.7V123 L125 E129 L130 D131V123-Q127 WeakPolarHBondContact O-CB 3.46Å; V123-Q127 PolarHBondContact O-N 2.98Å; L125-Q127 PolarHBondContact O-N 2.8Å; Q127-E129 VanDerWaalsContact C-N 3.28Å; Q127-E129 PolarHBondContact O-N 3.14Å; Q127-L130 WeakPolarHBondContact O-CA 3.46Å; Q127-L130 WeakPolarHBondContact O-CB 3.43Å; Q127-L130 PolarHBondContact O-N 3.13Å; Q127-D131 WeakPolarHBondContact CG-OD2 3.42Å; Q127-D131 PolarHBondContact O-N 2.94Å
128K75.3Confident68.9Low63 Ų6385.2 Ų85.227%0.27450%0.499SS..Hα-helixtrans-63.5-32.2173.5-168.8-177.4-178.8-115.30112.9A124 L125 L130 Q132 I237 D259A124-K128 WeakPolarHBondContact O-CB 3.14Å; A124-K128 PolarHBondContact O-N 2.93Å; L125-K128 PolarHBondContact O-N 3.17Å; K128-L130 VanDerWaalsContact C-N 3.27Å; K128-Q132 WeakPolarHBondContact O-CG 3.35Å; K128-Q132 PolarHBondContact O-N 3.38Å; K128-Q132 PolarHBondContact O-NE2 3.28Å; K128-Q132 VanDerWaalsContact O-NE2 3.15Å; K128-I237 HydrophobicContact CD-CD1 4.28Å; K128-D259 WeakPolarHBondContact CE-OD1 3.33Å; K128-D259 WeakPolarHBondContact CE-OD2 3.47Å; K128-D259 VanDerWaalsContact NZ-CG 3.32Å; K128-D259 IonicContact NZ-OD1 2.79Å; K128-D259 PolarHBondContact NZ-OD1 3.42Å; K128-D259 IonicContact NZ-OD2 3.15Å; K128-D259 PolarHBondContact NZ-OD2 2.95Å
129E71.5Confident66.6Low93 Ų9389.6 Ų89.644%0.43552%0.52SS..Hα-helixtrans-67.3-28.9172.5-70.6-173.911500112L125 E126 Q127 R204L125-E129 WeakPolarHBondContact O-CG 3.48Å; L125-E129 PolarHBondContact O-N 3.37Å; E126-E129 WeakPolarHBondContact O-CB 3.41Å; E126-E129 PolarHBondContact O-N 3.09Å; Q127-E129 VanDerWaalsContact C-N 3.28Å; Q127-E129 PolarHBondContact O-N 3.14Å; E129-R204 IonicContact OE1-CZ 2.66Å; E129-R204 IonicContact OE1-NH1 3.4Å; E129-R204 PolarHBondContact OE1-NH1 2.73Å; E129-R204 IonicContact OE1-NH2 3.66Å; E129-R204 PolarHBondContact OE1-NH2 2.76Å; E129-R204 IonicContact OE2-NH2 2.61Å
130L66.5Low64.8Low142 Ų14284.6 Ų84.674%0.74351%0.505SS*.Hα-helixtrans-80.9-40.8174.9-93.388.3000113.6E126 Q127 K128 Q132E126-L130 WeakPolarHBondContact O-CD1 3.46Å; E126-L130 PolarHBondContact O-N 2.09Å; Q127-L130 WeakPolarHBondContact O-CA 3.46Å; Q127-L130 WeakPolarHBondContact O-CB 3.43Å; Q127-L130 PolarHBondContact O-N 3.13Å; K128-L130 VanDerWaalsContact C-N 3.27Å; L130-Q132 PolarHBondContact O-N 3.2Å
131D60.3Low63Low115 Ų11586.6 Ų86.662%0.61552%0.516SS*.Hα-helixtrans-72-9.5-178.6-79.3-63.8000113.5Q127 E133Q127-D131 WeakPolarHBondContact CG-OD2 3.42Å; Q127-D131 PolarHBondContact O-N 2.94Å; D131-E133 VanDerWaalsContact C-N 3.26Å; D131-E133 PolarHBondContact O-N 3.35Å
132Q56.6Low61.4Low118 Ų11893 Ų9355%0.55155%0.549SS*.  trans-74.680.2170.4-77.9172.552.600110.6K128 L130K128-Q132 WeakPolarHBondContact O-CG 3.35Å; K128-Q132 PolarHBondContact O-N 3.38Å; K128-Q132 PolarHBondContact O-NE2 3.28Å; K128-Q132 VanDerWaalsContact O-NE2 3.15Å; L130-Q132 PolarHBondContact O-N 3.2Å
133E39.8Very low60.4Low149 Ų14993.4 Ų93.470%0.69655%0.546SS*.  trans-51.9140.3165.7-71.4-70.9128.300110D131 G135D131-E133 VanDerWaalsContact C-N 3.26Å; D131-E133 PolarHBondContact O-N 3.35Å; E133-G135 PolarHBondContact O-N 3.2Å
134P37.5Very low59.5Low104 Ų10498.8 Ų98.868%0.67556%0.558SS**THydrogen-bonded Turntrans-69.379.9177.528.3-32.6000110.5
135G42Very low59.1Low67 Ų67101.8 Ų101.869%0.69157%0.574SS**THydrogen-bonded Turntrans173.2-14.518000000118.4E133 G137E133-G135 PolarHBondContact O-N 3.2Å; G135-G137 PolarHBondContact O-N 2.87Å
136A38.9Very low58.8Low93 Ų93102.5 Ų102.577%0.76959%0.59SS**  trans-96.876.5177.100000110.7
137G43.6Very low58.8Low72 Ų7297.5 Ų97.574%0.74257%0.568SS**  trans-59.1138.9161.800000109G135G135-G137 PolarHBondContact O-N 2.87Å
138L48.3Very low59Low116 Ų11694.8 Ų94.861%0.60756%0.562SS**  trans-48.6146.6168.7-102.288.4000109.7S140 A211L138-S140 PolarHBondContact O-N 2.74Å; L138-A211 HydrophobicContact CD2-CB 4.05Å
139D43.6Very low59.5Low120 Ų12092.2 Ų92.264%0.64255%0.552SS**  trans-45.3107.3176.1-147-57.8000110.3S141 L142D139-S141 PolarHBondContact O-N 3.18Å; D139-S141 WeakPolarHBondContact OD1-CB 3.49Å; D139-S141 PolarHBondContact OD1-OG 3.22Å; D139-L142 PolarHBondContact O-N 3.45Å
140S50.7Low60Low72 Ų7291.1 Ų91.150%0.50355%0.547SS..G310 helixtrans-59.8-5.9-173.4-175.30000113.3L138 L142L138-S140 PolarHBondContact O-N 2.74Å; S140-L142 VanDerWaalsContact C-N 3.27Å; S140-L142 PolarHBondContact O-N 3.11Å
141S51.9Low60.7Low102 Ų10285.3 Ų85.371%0.71352%0.517SS*.G310 helixtrans-64.6-19.2179-53.10000114.9D139D139-S141 PolarHBondContact O-N 3.18Å; D139-S141 WeakPolarHBondContact OD1-CB 3.49Å; D139-S141 PolarHBondContact OD1-OG 3.22Å
142L55.1Low61.8Low135 Ų13581.2 Ų81.271%0.70750%0.496SS*.G310 helixtrans-110.7-6.1-176-78.9158.8000115.1D139 S140D139-L142 PolarHBondContact O-N 3.45Å; S140-L142 VanDerWaalsContact C-N 3.27Å; S140-L142 PolarHBondContact O-N 3.11Å
143I65.2Low62.9Low30 Ų3076.7 Ų76.715%0.15448%0.481CS..  trans-97.5115.8-175.6-54164.7000108.8Y158 W210I143-Y158 HydrophobicContact CB-CD1 4.35Å; I143-Y158 HydrophobicContact CB-CE1 4.16Å; I143-Y158 HydrophobicContact CG2-CD1 3.34Å; I143-Y158 HydrophobicContact CG2-CD2 4.12Å; I143-Y158 HydrophobicContact CG2-CE1 3.61Å; I143-Y158 HydrophobicContact CG2-CE2 4.34Å; I143-Y158 HydrophobicContact CG2-CG 3.61Å; I143-W210 HydrophobicContact CD1-CB 3.85Å; I143-W210 HydrophobicContact CD1-CG 4.41Å; I143-W210 HydrophobicContact CG1-CB 4.08Å; I143-W210 HydrophobicContact CG2-CB 3.63Å; I143-W210 HydrophobicContact CG2-CG 4.31Å
144W67.6Low65.1Low190 Ų19070.2 Ų70.272%0.7245%0.452SS*.  trans-88.6140.4177.9-165.9-83.3000110.8G146 S147W144-G146 PolarHBondContact O-N 2.93Å; W144-S147 WeakPolarHBondContact O-CB 3.46Å; W144-S147 PolarHBondContact O-N 2.77Å; W144-S147 PolarHBondContact O-OG 2.72Å
145T77.5Confident67.4Low87 Ų8772 Ų7253%0.53446%0.456SS..THydrogen-bonded Turntrans-61.3118.1174.137.20000110.7Y158 Q159T145-Y158 CarbonylContact C-O 3.5Å; T145-Y158 WeakPolarHBondContact CA-O 3.4Å; T145-Y158 HydrophobicContact CG2-CD1 4.47Å; T145-Q159 WeakPolarHBondContact CG2-O 3.45Å
146G78.5Confident69.5Low52 Ų5270.2 Ų70.254%0.53644%0.435SS..THydrogen-bonded Turntrans110.6-1.4-16800000114.3W144 Y158W144-G146 PolarHBondContact O-N 2.93Å; G146-Y158 PolarHBondContact N-O 3.13Å
147S82.8Confident71.8Confident11 Ų1168.9 Ų68.98%0.07742%0.417CS..PPolyproline II helixtrans-71.5128.2176.2-58.40000110.9W144 V157 Y158W144-S147 WeakPolarHBondContact O-CB 3.46Å; W144-S147 PolarHBondContact O-N 2.77Å; W144-S147 PolarHBondContact O-OG 2.72Å; S147-V157 CarbonylContact O-C 3.49Å; S147-Y158 WeakPolarHBondContact O-CB 3.39Å; S147-Y158 PolarHBondContact O-N 2.99Å
148S85.9Confident73.8Confident60 Ų6066 Ų6642%0.4238%0.384SS..BIsolated β-bridgetrans-79.3147.8176.161.50000111.5Q150 A156S148-Q150 PolarHBondContact O-N 3.36Å; S148-Q150 PolarHBondContact O-NE2 3.36Å; S148-A156 WeakPolarHBondContact CA-O 3.45Å
149C85.1Confident75.5Confident9 Ų967.1 Ų67.16%0.06139%0.386CS..PPolyproline II helixtrans-58.1133.6170.7-169.60000110C154 A156 H208 D209 W210C149-C154 HydrophobicContact CB-CB 4.04Å; C149-C154 VanDerWaalsContact SG-SG 3.6Å; C149-A156 HydrophobicContact CB-CB 4.38Å; C149-A156 PolarHBondContact N-O 2.77Å; C149-H208 PolarHBondContact SG-ND1 2.85Å; C149-H208 VanDerWaalsContact SG-ND1 3.45Å; C149-D209 CarbonylContact C-O 3.58Å; C149-D209 WeakPolarHBondContact CA-O 3.47Å; C149-W210 HydrophobicContact CB-CE3 4.2Å; C149-W210 HydrophobicContact CB-CZ3 3.84Å
150Q81.8Confident77.4Confident69 Ų6961.7 Ų61.732%0.32236%0.358SS..  trans-87.5-11.3177.9-60.2-54.2-59.800112.6S148 D209 A211S148-Q150 PolarHBondContact O-N 3.36Å; S148-Q150 PolarHBondContact O-NE2 3.36Å; Q150-D209 HydrophobicContact CB-CB 4.33Å; Q150-D209 PolarHBondContact N-O 3.03Å; Q150-A211 WeakPolarHBondContact CG-O 3.46Å
151N82.9Confident78.7Confident21 Ų2162.8 Ų62.811%0.11236%0.364CS..SBendtrans-66.4128.7175.9-71.6-34.9000110.6G153 C154 C168 Y170 R207 D209N151-G153 PolarHBondContact O-N 3.46Å; N151-C154 HydrophobicContact CB-CB 4.28Å; N151-C154 WeakPolarHBondContact O-CB 3.41Å; N151-C154 PolarHBondContact O-N 3.19Å; N151-C154 VanDerWaalsContact O-N 3.11Å; N151-C168 PolarHBondContact ND2-SG 2.73Å; N151-Y170 HydrophobicContact CB-CD1 4.31Å; N151-Y170 HydrophobicContact CB-CD2 4.17Å; N151-Y170 HydrophobicContact CB-CG 3.78Å; N151-R207 PolarHBondContact ND2-O 2.83Å; N151-D209 PolarHBondContact ND2-N 2.88Å
152P81.9Confident79.9Confident29 Ų2963.5 Ų63.519%0.18836%0.356CS..THydrogen-bonded Turntrans-64130.2-176.926.2-37.1000112.3C154 Y170 H171 W184P152-C154 VanDerWaalsContact C-N 3.35Å; P152-Y170 CarbonylContact O-C 3.58Å; P152-Y170 VanDerWaalsContact O-CA 3.29Å; P152-Y170 WeakPolarHBondContact O-CA 3.41Å; P152-Y170 WeakPolarHBondContact O-CB 3.36Å; P152-H171 HydrophobicContact CG-CB 4.43Å; P152-H171 WeakPolarHBondContact CG-O 3.5Å; P152-H171 PolarHBondContact O-N 3.24Å; P152-W184 HydrophobicContact CB-CH2 3.49Å; P152-W184 VanDerWaalsContact CB-CH2 3.49Å; P152-W184 HydrophobicContact CB-CZ2 4.34Å; P152-W184 HydrophobicContact CB-CZ3 3.76Å; P152-W184 HydrophobicContact CG-CZ3 4.32Å
153G80.9Confident81.1Confident23 Ų2357.9 Ų57.924%0.23733%0.328CS..THydrogen-bonded Turntrans83.77.7-176.500000114.2N151N151-G153 PolarHBondContact O-N 3.46Å
154C85.8Confident81.5Confident13 Ų1359.7 Ų59.79%0.08834%0.338CS..  trans-109.8114.4172.3-173.50000111.1C149 N151 P152 A156 C168 H208C149-C154 HydrophobicContact CB-CB 4.04Å; C149-C154 VanDerWaalsContact SG-SG 3.6Å; N151-C154 HydrophobicContact CB-CB 4.28Å; N151-C154 WeakPolarHBondContact O-CB 3.41Å; N151-C154 PolarHBondContact O-N 3.19Å; N151-C154 VanDerWaalsContact O-N 3.11Å; P152-C154 VanDerWaalsContact C-N 3.35Å; C154-A156 VanDerWaalsContact C-N 3.34Å; C154-C168 PolarHBondContact SG-SG 3.33Å; C154-H208 PolarHBondContact SG-CE1 3.5Å; C154-H208 PolarHBondContact SG-ND1 3.04Å
155D85.3Confident81.9Confident140 Ų14054.8 Ų54.875%0.74934%0.338SS*.  trans-95.616179.6-58.4-43.3000113.1
156A86.4Confident82.1Confident31 Ų3153.1 Ų53.126%0.25633%0.333SS..  trans-68.5148.3-178.600000111.2S148 C149 C154 H208 W210S148-A156 WeakPolarHBondContact CA-O 3.45Å; C149-A156 HydrophobicContact CB-CB 4.38Å; C149-A156 PolarHBondContact N-O 2.77Å; C154-A156 VanDerWaalsContact C-N 3.34Å; A156-H208 WeakPolarHBondContact CB-CE1 3.46Å; A156-W210 HydrophobicContact CB-CH2 3.81Å; A156-W210 HydrophobicContact CB-CZ3 4.21Å
157V87.2Confident82.4Confident64 Ų6454.9 Ų54.939%0.38834%0.335SS..BIsolated β-bridgetrans-123.1129.1179.4-178.80000108.4S147 Q159S147-V157 CarbonylContact O-C 3.49Å; V157-Q159 PolarHBondContact O-N 3.22Å
158Y86.1Confident82.6Confident11 Ų1154.4 Ų54.44%0.04333%0.331CS..  trans-67.3112.8179.6-171.9-104.2000110.7I143 T145 G146 S147 G160 W210I143-Y158 HydrophobicContact CB-CD1 4.35Å; I143-Y158 HydrophobicContact CB-CE1 4.16Å; I143-Y158 HydrophobicContact CG2-CD1 3.34Å; I143-Y158 HydrophobicContact CG2-CD2 4.12Å; I143-Y158 HydrophobicContact CG2-CE1 3.61Å; I143-Y158 HydrophobicContact CG2-CE2 4.34Å; I143-Y158 HydrophobicContact CG2-CG 3.61Å; T145-Y158 CarbonylContact C-O 3.5Å; T145-Y158 WeakPolarHBondContact CA-O 3.4Å; T145-Y158 HydrophobicContact CG2-CD1 4.47Å; G146-Y158 PolarHBondContact N-O 3.13Å; S147-Y158 WeakPolarHBondContact O-CB 3.39Å; S147-Y158 PolarHBondContact O-N 2.99Å; Y158-G160 VanDerWaalsContact CE2-O 3.23Å; Y158-G160 WeakPolarHBondContact CE2-O 3.46Å; Y158-W210 AromaticContact CD2-CD1 3.81Å; Y158-W210 AromaticContact CD2-CD2 3.74Å; Y158-W210 HydrophobicContact CD2-CD2 3.74Å; Y158-W210 AromaticContact CD2-CE2 3.57Å; Y158-W210 HydrophobicContact CD2-CE3 4.4Å; Y158-W210 AromaticContact CD2-CG 3.86Å; Y158-W210 HydrophobicContact CD2-CG 3.86Å; Y158-W210 HydrophobicContact CD2-CZ2 4.07Å; Y158-W210 AromaticContact CD2-NE1 3.64Å; Y158-W210 HydrophobicContact CG-CD2 4.2Å; Y158-W210 HydrophobicContact CG-CE3 4.5Å; Y158-W210 HydrophobicContact CG-CG 4.36Å
159Q84.2Confident82.7Confident140 Ų14054.6 Ų54.665%0.65433%0.33SS*.  trans-105.1-7.3174.8-64-178.922.800112.9T145 V157 S163T145-Q159 WeakPolarHBondContact CG2-O 3.45Å; V157-Q159 PolarHBondContact O-N 3.22Å; Q159-S163 PolarHBondContact N-OG 2.92Å
160G81.8Confident82.8Confident6 Ų656 Ų566%0.06234%0.335CS..SBendtrans148.5-177-175.900000110.9Y158 E162 S163Y158-G160 VanDerWaalsContact CE2-O 3.23Å; Y158-G160 WeakPolarHBondContact CE2-O 3.46Å; G160-E162 VanDerWaalsContact C-OE2 3.26Å; G160-E162 WeakPolarHBondContact CA-OE2 3.48Å; G160-E162 PolarHBondContact O-N 2.72Å; G160-S163 PolarHBondContact N-OG 2.9Å; G160-S163 WeakPolarHBondContact O-CB 3.16Å; G160-S163 PolarHBondContact O-N 3.09Å; G160-S163 PolarHBondContact O-OG 2.79Å; G160-S163 VanDerWaalsContact O-OG 3.06Å
161P78.2Confident83Confident95 Ų9552.8 Ų52.862%0.61732%0.32SS*.G310 helixtrans-55.5-24.1178.6-22.632.4000114S163 D164P161-S163 PolarHBondContact O-N 2.77Å; P161-D164 PolarHBondContact O-N 2.72Å
162E78.4Confident82.7Confident117 Ų11754.3 Ų54.355%0.54733%0.331SS..G310 helixtrans-64.1-21.2172.966.5-84.4-166.800113.5G160 D164 A165G160-E162 VanDerWaalsContact C-OE2 3.26Å; G160-E162 WeakPolarHBondContact CA-OE2 3.48Å; G160-E162 PolarHBondContact O-N 2.72Å; E162-D164 PolarHBondContact O-N 3.38Å; E162-A165 WeakPolarHBondContact O-CB 3.22Å; E162-A165 PolarHBondContact O-N 3.35Å; E162-A165 VanDerWaalsContact O-N 3.14Å
163S80.7Confident82.4Confident18 Ų1853.4 Ų53.413%0.12633%0.326CS..G310 helixtrans-70.5-23.5177.6-540000111.9Q159 G160 P161 A165 H208Q159-S163 PolarHBondContact N-OG 2.92Å; G160-S163 PolarHBondContact N-OG 2.9Å; G160-S163 WeakPolarHBondContact O-CB 3.16Å; G160-S163 PolarHBondContact O-N 3.09Å; G160-S163 PolarHBondContact O-OG 2.79Å; G160-S163 VanDerWaalsContact O-OG 3.06Å; P161-S163 PolarHBondContact O-N 2.77Å; S163-A165 VanDerWaalsContact C-N 3.27Å; S163-H208 PolarHBondContact O-CD2 2.92Å
164D73Confident82.2Confident67 Ų6753.9 Ų53.936%0.35833%0.328SS..G310 helixtrans-79.7-8.6173.4-68-54.7000113.3P161 E162 A166 W210P161-D164 PolarHBondContact O-N 2.72Å; E162-D164 PolarHBondContact O-N 3.38Å; D164-A166 VanDerWaalsContact C-N 3.32Å; D164-W210 PolarHBondContact OD1-NE1 2.83Å
165A76.2Confident82.2Confident87 Ų8756.2 Ų56.272%0.71934%0.343SS*.G310 helixtrans-74.2-25.7176.800000112.2E162 S163E162-A165 WeakPolarHBondContact O-CB 3.22Å; E162-A165 PolarHBondContact O-N 3.35Å; E162-A165 VanDerWaalsContact O-N 3.14Å; S163-A165 VanDerWaalsContact C-N 3.27Å
166A82.1Confident82Confident52 Ų5256.1 Ų56.143%0.4333%0.332SS..SBendtrans-83.8135.7174.500000110.4D164 H208D164-A166 VanDerWaalsContact C-N 3.32Å; A166-H208 PolarHBondContact O-CD2 2.96Å; A166-H208 PolarHBondContact O-NE2 2.75Å
167P84.1Confident82.1Confident90 Ų9060.3 Ų60.358%0.58435%0.345SS*.PPolyproline II helixtrans-72.2134.2174.629.2-33.2000110.8V205P167-V205 HydrophobicContact CB-CG1 3.61Å
168C86.4Confident81.7Confident0 Ų061.3 Ų61.30%035%0.345CS..EExtended strand (participates in β ladder)trans-80.4118.2176.7-179.40000110.5N151 C154 Y170 V205 G206 R207 H208N151-C168 PolarHBondContact ND2-SG 2.73Å; C154-C168 PolarHBondContact SG-SG 3.33Å; C168-Y170 HydrophobicContact CB-CD1 4.49Å; C168-V205 CarbonylContact O-C 3.58Å; C168-V205 WeakPolarHBondContact O-CA 3.09Å; C168-G206 WeakPolarHBondContact CB-O 3.41Å; C168-G206 PolarHBondContact N-O 3.44Å; C168-G206 PolarHBondContact O-N 2.91Å; C168-R207 WeakPolarHBondContact CB-O 3.39Å; C168-H208 HydrophobicContact CB-CB 4.34Å
169T89Confident81.5Confident65 Ų6569 Ų6940%0.39938%0.382SS..EExtended strand (participates in β ladder)trans-93.5119.6169.151.20000110.1R204 V205T169-R204 CarbonylContact C-O 3.52Å; T169-R204 VanDerWaalsContact CA-O 3.31Å; T169-R204 WeakPolarHBondContact CA-O 3.25Å; T169-V205 HydrophobicContact CG2-CG2 4.15Å
170Y87.6Confident81.4Confident39 Ų3965 Ų6515%0.15338%0.377CS..EExtended strand (participates in β ladder)trans-146.9171.9-176.268.9-84000113.8N151 P152 C168 P172 G202 C203 R204N151-Y170 HydrophobicContact CB-CD1 4.31Å; N151-Y170 HydrophobicContact CB-CD2 4.17Å; N151-Y170 HydrophobicContact CB-CG 3.78Å; P152-Y170 CarbonylContact O-C 3.58Å; P152-Y170 VanDerWaalsContact O-CA 3.29Å; P152-Y170 WeakPolarHBondContact O-CA 3.41Å; P152-Y170 WeakPolarHBondContact O-CB 3.36Å; C168-Y170 HydrophobicContact CB-CD1 4.49Å; Y170-P172 HydrophobicContact CE2-CB 4.17Å; Y170-G202 VanDerWaalsContact C-CA 3.45Å; Y170-G202 CarbonylContact O-C 3.6Å; Y170-G202 WeakPolarHBondContact O-CA 3.5Å; Y170-C203 PolarHBondContact O-N 3.32Å; Y170-R204 PolarHBondContact N-O 2.82Å; Y170-R204 PolarHBondContact O-N 2.88Å
171H84Confident81.4Confident0 Ų067.6 Ų67.60%039%0.389CS..  trans-103.4108175.9-70-59.6000111.7P152 G173 W184 C186 Q200 P201 C203P152-H171 HydrophobicContact CG-CB 4.43Å; P152-H171 WeakPolarHBondContact CG-O 3.5Å; P152-H171 PolarHBondContact O-N 3.24Å; H171-G173 PolarHBondContact O-N 2.86Å; H171-G173 VanDerWaalsContact O-N 3.13Å; H171-W184 HydrophobicContact CB-CB 4.42Å; H171-W184 HydrophobicContact CB-CD2 3.75Å; H171-W184 HydrophobicContact CB-CE3 3.77Å; H171-W184 HydrophobicContact CB-CG 4.06Å; H171-W184 HydrophobicContact CB-CZ3 4.3Å; H171-W184 AromaticContact CD2-CD1 3.52Å; H171-W184 AromaticContact CD2-CD2 3.71Å; H171-W184 AromaticContact CD2-CE2 3.51Å; H171-W184 AromaticContact CD2-CG 3.7Å; H171-W184 AromaticContact CD2-NE1 3.35Å; H171-W184 PolarHBondContact CD2-NE1 2.81Å; H171-W184 AromaticContact CG-CD1 3.96Å; H171-W184 AromaticContact CG-CD2 3.77Å; H171-W184 AromaticContact CG-CG 3.69Å; H171-W184 AromaticContact NE2-CD1 3.58Å; H171-W184 AromaticContact NE2-NE1 3.66Å; H171-C186 PolarHBondContact ND1-SG 3.14Å; H171-Q200 PolarHBondContact CE1-NE2 2.84Å; H171-Q200 PolarHBondContact NE2-NE2 2.82Å; H171-Q200 VanDerWaalsContact NE2-NE2 3.12Å; H171-Q200 PolarHBondContact NE2-O 3.48Å; H171-P201 PolarHBondContact CE1-O 3.39Å; H171-P201 PolarHBondContact NE2-O 3.47Å; H171-P201 VanDerWaalsContact NE2-O 3.09Å; H171-C203 PolarHBondContact CE1-N 2.79Å; H171-C203 VanDerWaalsContact CE1-N 3.3Å; H171-C203 WeakPolarHBondContact ND1-CB 3.32Å; H171-C203 PolarHBondContact ND1-N 2.83Å; H171-C203 PolarHBondContact ND1-SG 2.88Å; H171-C203 VanDerWaalsContact ND1-SG 3.35Å
172P77Confident81.8Confident54 Ų5465 Ų6535%0.35137%0.368SS..  trans-69.8-7.8175.830.3-36.1000113.7Y170 C186 C203 R204Y170-P172 HydrophobicContact CE2-CB 4.17Å; P172-C186 HydrophobicContact CG-CB 3.99Å; P172-C203 WeakPolarHBondContact CD-SG 3.42Å; P172-R204 HydrophobicContact CG-CB 4.23Å
173G76.4Confident82.2Confident9 Ų959.7 Ų59.79%0.09334%0.344CS..SBendtrans-91.6162.8179.800000112.7H171 W184 S185H171-G173 PolarHBondContact O-N 2.86Å; H171-G173 VanDerWaalsContact O-N 3.13Å; G173-W184 WeakPolarHBondContact O-CZ3 3.37Å; G173-S185 WeakPolarHBondContact CA-OG 3.26Å
174A77.3Confident82.4Confident34 Ų3459.9 Ų59.928%0.28134%0.342SS..PPolyproline II helixtrans-82.1152.3175.100000111.7R176 S185A174-R176 PolarHBondContact O-N 2.7Å; A174-S185 PolarHBondContact N-OG 2.89Å; A174-S185 PolarHBondContact O-N 3.49Å
175P84.3Confident82.9Confident61 Ų6159 Ų5940%0.39634%0.341SS..EExtended strand (participates in β ladder)trans-65.2130.8170.228.4-34.5000110.5F177 W184 F197P175-F177 HydrophobicContact CB-CE2 3.93Å; P175-F177 HydrophobicContact CB-CZ 3.8Å; P175-W184 HydrophobicContact CB-CE3 4.46Å; P175-W184 HydrophobicContact CB-CZ3 4.21Å; P175-W184 HydrophobicContact CG-CZ3 4.41Å; P175-F197 HydrophobicContact CB-CE1 4.24Å; P175-F197 HydrophobicContact CB-CZ 3.65Å
176R81.4Confident82.9Confident139 Ų13957.2 Ų57.253%0.52532%0.323SS..EExtended strand (participates in β ladder)trans-119124.1175.4-74.5-156.4-78.6-150.9-4.4110.5A174 S183A174-R176 PolarHBondContact O-N 2.7Å; R176-S183 WeakPolarHBondContact CA-O 3.2Å; R176-S183 PolarHBondContact N-O 2.96Å; R176-S183 PolarHBondContact O-N 3.21Å; R176-S183 PolarHBondContact O-OG 3.06Å
177F88.9Confident82.8Confident118 Ų11856.9 Ų56.952%0.51832%0.316SS..EExtended strand (participates in β ladder)trans-119.3104.4176.8-51.1-62.9000109P175 M181 K182 F194 F197P175-F177 HydrophobicContact CB-CE2 3.93Å; P175-F177 HydrophobicContact CB-CZ 3.8Å; F177-M181 WeakPolarHBondContact CA-O 3.36Å; F177-K182 HydrophobicContact CD1-CB 3.71Å; F177-K182 HydrophobicContact CD1-CD 4.28Å; F177-K182 HydrophobicContact CD1-CG 3.67Å; F177-K182 HydrophobicContact CE1-CB 3.81Å; F177-K182 HydrophobicContact CE1-CD 4.2Å; F177-K182 HydrophobicContact CE1-CG 3.99Å; F177-F194 HydrophobicContact CE1-CE2 4.3Å; F177-F194 HydrophobicContact CZ-CE2 4.19Å; F177-F197 HydrophobicContact CE1-CD1 4.15Å; F177-F197 AromaticContact CE1-CE1 3.98Å; F177-F197 HydrophobicContact CE1-CE1 3.98Å; F177-F197 HydrophobicContact CE1-CE2 4.49Å; F177-F197 HydrophobicContact CE1-CG 4.5Å; F177-F197 HydrophobicContact CE1-CZ 4.18Å; F177-F197 HydrophobicContact CZ-CD1 4.43Å; F177-F197 AromaticContact CZ-CE1 3.92Å; F177-F197 HydrophobicContact CZ-CE1 3.92Å; F177-F197 HydrophobicContact CZ-CZ 4.23Å
178H79.3Confident82.5Confident85 Ų8554.8 Ų54.839%0.39431%0.312SS..EExtended strand (participates in β ladder)trans-137.5141174.774.9-67.3000109.6G180 M181H178-G180 PolarHBondContact O-N 2.99Å; H178-M181 PolarHBondContact N-O 2.75Å; H178-M181 VanDerWaalsContact N-O 3.09Å; H178-M181 PolarHBondContact O-N 2.82Å
179E82.2Confident82.3Confident173 Ų17358.8 Ų58.881%0.80833%0.332SS*.THydrogen-bonded Turntrans58.423.8172.4-56.1-178.3178.900115.2M181E179-M181 VanDerWaalsContact C-N 3.25Å; E179-M181 HydrophobicContact CB-SD 4.28Å; E179-M181 PolarHBondContact O-N 3.02Å; E179-M181 VanDerWaalsContact O-SD 3.34Å
180G81.4Confident82.2Confident55 Ų5561 Ų6157%0.56734%0.338SS*.THydrogen-bonded Turntrans85.4-8.5-176.400000114.2H178H178-G180 PolarHBondContact O-N 2.99Å
181M82.3Confident82.2Confident61 Ų6160.2 Ų60.230%0.334%0.337SS..EExtended strand (participates in β ladder)trans-88141.9171.5-6981.3178.400111.3F177 H178 E179 Q190 L192F177-M181 WeakPolarHBondContact CA-O 3.36Å; H178-M181 PolarHBondContact N-O 2.75Å; H178-M181 VanDerWaalsContact N-O 3.09Å; H178-M181 PolarHBondContact O-N 2.82Å; E179-M181 VanDerWaalsContact C-N 3.25Å; E179-M181 HydrophobicContact CB-SD 4.28Å; E179-M181 PolarHBondContact O-N 3.02Å; E179-M181 VanDerWaalsContact O-SD 3.34Å; M181-Q190 HydrophobicContact CB-CB 4.46Å; M181-L192 HydrophobicContact CE-CD2 4.02Å; M181-L192 HydrophobicContact CG-CD2 4.08Å; M181-L192 HydrophobicContact SD-CD2 4.36Å
182K85.1Confident82.2Confident42 Ų4266.2 Ų66.218%0.18337%0.369CS..EExtended strand (participates in β ladder)trans-119.3126.1-179.4-48.5-178.217365.60108.2F177 T191 L192 F194 F197F177-K182 HydrophobicContact CD1-CB 3.71Å; F177-K182 HydrophobicContact CD1-CD 4.28Å; F177-K182 HydrophobicContact CD1-CG 3.67Å; F177-K182 HydrophobicContact CE1-CB 3.81Å; F177-K182 HydrophobicContact CE1-CD 4.2Å; F177-K182 HydrophobicContact CE1-CG 3.99Å; K182-T191 PolarHBondContact N-O 3.32Å; K182-T191 PolarHBondContact O-N 3.22Å; K182-T191 PolarHBondContact O-OG1 3.01Å; K182-L192 PolarHBondContact NZ-O 3.42Å; K182-F194 HydrophobicContact CD-CB 4Å; K182-F194 HydrophobicContact CD-CD2 3.7Å; K182-F194 HydrophobicContact CD-CG 4.32Å; K182-F197 HydrophobicContact CB-CB 3.97Å; K182-F197 HydrophobicContact CB-CD2 3.79Å; K182-F197 HydrophobicContact CB-CG 3.89Å; K182-F197 HydrophobicContact CD-CB 4.2Å
183S88.2Confident82.7Confident5 Ų568.3 Ų68.34%0.03538%0.377CS..EExtended strand (participates in β ladder)trans-152.9155.1-171.457.40000111.7R176 I189R176-S183 WeakPolarHBondContact CA-O 3.2Å; R176-S183 PolarHBondContact N-O 2.96Å; R176-S183 PolarHBondContact O-N 3.21Å; R176-S183 PolarHBondContact O-OG 3.06Å; S183-I189 VanDerWaalsContact CA-O 3.22Å; S183-I189 WeakPolarHBondContact CA-O 3.26Å; S183-I189 WeakPolarHBondContact CB-O 3.33Å
184W84.2Confident83.1Confident21 Ų2172.9 Ų72.98%0.0839%0.394CS..EExtended strand (participates in β ladder)trans-92.1139.2169.4-65.593.1000110P152 H171 G173 P175 C186 G188 F197 Q200P152-W184 HydrophobicContact CB-CH2 3.49Å; P152-W184 VanDerWaalsContact CB-CH2 3.49Å; P152-W184 HydrophobicContact CB-CZ2 4.34Å; P152-W184 HydrophobicContact CB-CZ3 3.76Å; P152-W184 HydrophobicContact CG-CZ3 4.32Å; H171-W184 HydrophobicContact CB-CB 4.42Å; H171-W184 HydrophobicContact CB-CD2 3.75Å; H171-W184 HydrophobicContact CB-CE3 3.77Å; H171-W184 HydrophobicContact CB-CG 4.06Å; H171-W184 HydrophobicContact CB-CZ3 4.3Å; H171-W184 AromaticContact CD2-CD1 3.52Å; H171-W184 AromaticContact CD2-CD2 3.71Å; H171-W184 AromaticContact CD2-CE2 3.51Å; H171-W184 AromaticContact CD2-CG 3.7Å; H171-W184 AromaticContact CD2-NE1 3.35Å; H171-W184 PolarHBondContact CD2-NE1 2.81Å; H171-W184 AromaticContact CG-CD1 3.96Å; H171-W184 AromaticContact CG-CD2 3.77Å; H171-W184 AromaticContact CG-CG 3.69Å; H171-W184 AromaticContact NE2-CD1 3.58Å; H171-W184 AromaticContact NE2-NE1 3.66Å; G173-W184 WeakPolarHBondContact O-CZ3 3.37Å; P175-W184 HydrophobicContact CB-CE3 4.46Å; P175-W184 HydrophobicContact CB-CZ3 4.21Å; P175-W184 HydrophobicContact CG-CZ3 4.41Å; W184-C186 PolarHBondContact O-N 2.76Å; W184-G188 PolarHBondContact O-N 2.89Å; W184-F197 AromaticContact CD1-CE2 3.45Å; W184-F197 VanDerWaalsContact CD1-CE2 3.45Å; W184-F197 AromaticContact CD2-CE2 3.95Å; W184-F197 HydrophobicContact CD2-CE2 3.95Å; W184-F197 AromaticContact CD2-CZ 3.84Å; W184-F197 HydrophobicContact CD2-CZ 3.84Å; W184-F197 AromaticContact CE2-CE2 3.56Å; W184-F197 AromaticContact CE2-CZ 3.29Å; W184-F197 HydrophobicContact CE3-CZ 4.4Å; W184-F197 AromaticContact CG-CE2 3.94Å; W184-F197 HydrophobicContact CG-CE2 3.94Å; W184-F197 HydrophobicContact CG-CZ 4.33Å; W184-F197 HydrophobicContact CH2-CE1 4.5Å; W184-F197 HydrophobicContact CH2-CZ 4.06Å; W184-F197 AromaticContact CZ2-CE1 3.86Å; W184-F197 HydrophobicContact CZ2-CE1 3.86Å; W184-F197 HydrophobicContact CZ2-CE2 4.16Å; W184-F197 AromaticContact CZ2-CZ 3.43Å; W184-F197 HydrophobicContact CZ2-CZ 3.43Å; W184-F197 VanDerWaalsContact CZ2-CZ 3.43Å; W184-F197 AromaticContact NE1-CD2 3.85Å; W184-F197 AromaticContact NE1-CE2 3.23Å; W184-F197 AromaticContact NE1-CZ 3.47Å; W184-Q200 VanDerWaalsContact CD1-NE2 3.28Å
185S82.9Confident83.5Confident50 Ų5072.9 Ų72.935%0.3540%0.397SS..THydrogen-bonded Turntrans-65-19.6177.866.50000113.8G173 A174G173-S185 WeakPolarHBondContact CA-OG 3.26Å; A174-S185 PolarHBondContact N-OG 2.89Å; A174-S185 PolarHBondContact O-N 3.49Å
186C77.2Confident83.6Confident49 Ų4971.9 Ų71.933%0.33140%0.395SS..THydrogen-bonded Turntrans-74.8-37-178.874.90000114.6H171 P172 W184 C203H171-C186 PolarHBondContact ND1-SG 3.14Å; P172-C186 HydrophobicContact CG-CB 3.99Å; W184-C186 PolarHBondContact O-N 2.76Å; C186-C203 WeakPolarHBondContact CB-SG 3.34Å; C186-C203 WeakPolarHBondContact SG-CB 3.12Å; C186-C203 CovalentContact SG-SG 2.09Å; C186-C203 PolarHBondContact SG-SG 3.47Å
187C80.1Confident83.9Confident44 Ų4465.6 Ų65.630%0.29737%0.371SS..THydrogen-bonded Turntrans-125.2-10.6-168.958.60000113.3I189 Q200 C203C187-I189 HydrophobicContact CB-CD1 4.21Å; C187-I189 HydrophobicContact CB-CG1 4.13Å; C187-I189 PolarHBondContact O-N 2.94Å; C187-Q200 PolarHBondContact SG-NE2 2.89Å; C187-C203 HydrophobicContact CB-CB 3.59Å
188G76.3Confident83.7Confident47 Ų4764.4 Ų64.449%0.48537%0.37SS..  trans63.611.6175.700000114.6W184 Q190W184-G188 PolarHBondContact O-N 2.89Å; G188-Q190 PolarHBondContact O-N 3.45Å
189I84.1Confident84Confident83 Ų8365.4 Ų65.443%0.42638%0.382SS..  trans-67.6119.7175.6-58.3172.3000107.3S183 C187 Q200S183-I189 VanDerWaalsContact CA-O 3.22Å; S183-I189 WeakPolarHBondContact CA-O 3.26Å; S183-I189 WeakPolarHBondContact CB-O 3.33Å; C187-I189 HydrophobicContact CB-CD1 4.21Å; C187-I189 HydrophobicContact CB-CG1 4.13Å; C187-I189 PolarHBondContact O-N 2.94Å; I189-Q200 HydrophobicContact CD1-CG 4.48Å; I189-Q200 HydrophobicContact CG2-CG 4.49Å
190Q86.1Confident84.1Confident113 Ų11357.8 Ų57.853%0.52835%0.346SS..EExtended strand (participates in β ladder)trans-99.8133.4-178.8-65.4-175.6-15.600110.3M181 G188M181-Q190 HydrophobicContact CB-CB 4.46Å; G188-Q190 PolarHBondContact O-N 3.45Å
191T86.4Confident84.3Confident22 Ų2259.8 Ų59.814%0.13535%0.35CS..EExtended strand (participates in β ladder)trans-128.4142176.855.60000109K182 A196 F197K182-T191 PolarHBondContact N-O 3.32Å; K182-T191 PolarHBondContact O-N 3.22Å; K182-T191 PolarHBondContact O-OG1 3.01Å; T191-A196 HydrophobicContact CG2-CB 4.24Å; T191-F197 WeakPolarHBondContact OG1-CB 3.42Å
192L85.8Confident84.5Confident126 Ų12657.7 Ų57.766%0.6634%0.343SS*.SBendtrans-86.8-36.3175.4-66.9167000110.7M181 K182M181-L192 HydrophobicContact CE-CD2 4.02Å; M181-L192 HydrophobicContact CG-CD2 4.08Å; M181-L192 HydrophobicContact SD-CD2 4.36Å; K182-L192 PolarHBondContact NZ-O 3.42Å
193D87.1Confident84.6Confident98 Ų9858.4 Ų58.452%0.52435%0.353SS..SBendtrans-86.3139.8179.8178.5-116.5000112.3G195 A196 F197D193-G195 VanDerWaalsContact OD1-CA 3.28Å; D193-G195 WeakPolarHBondContact OD1-CA 3.3Å; D193-G195 PolarHBondContact OD1-N 3.47Å; D193-A196 HydrophobicContact CB-CB 4.02Å; D193-A196 PolarHBondContact OD1-N 3.3Å; D193-F197 PolarHBondContact O-N 2.9Å
194F84.6Confident84.4Confident104 Ų10463.1 Ų63.146%0.45637%0.37SS..Hα-helixtrans-72.7-34.2179-168.3-104.7000112.2F177 K182 F197 L198F177-F194 HydrophobicContact CE1-CE2 4.3Å; F177-F194 HydrophobicContact CZ-CE2 4.19Å; K182-F194 HydrophobicContact CD-CB 4Å; K182-F194 HydrophobicContact CD-CD2 3.7Å; K182-F194 HydrophobicContact CD-CG 4.32Å; F194-F197 HydrophobicContact CE2-CD1 4.34Å; F194-F197 WeakPolarHBondContact O-CB 3.23Å; F194-F197 PolarHBondContact O-N 3.3Å; F194-L198 HydrophobicContact CD1-CD1 3.88Å; F194-L198 HydrophobicContact CD1-CG 4.23Å; F194-L198 HydrophobicContact CE1-CD1 3.54Å; F194-L198 HydrophobicContact CE1-CD2 4.26Å; F194-L198 HydrophobicContact CE1-CG 3.93Å; F194-L198 HydrophobicContact CZ-CD1 4.31Å; F194-L198 HydrophobicContact CZ-CD2 4.22Å; F194-L198 HydrophobicContact CZ-CG 4.3Å; F194-L198 PolarHBondContact O-N 3Å; F194-L198 VanDerWaalsContact O-N 3.13Å
195G86.4Confident84.4Confident34 Ų3466.8 Ų66.835%0.35139%0.394SS..Hα-helixtrans-62.8-49.1175.600000110.8D193 F197 L198 T199D193-G195 VanDerWaalsContact OD1-CA 3.28Å; D193-G195 WeakPolarHBondContact OD1-CA 3.3Å; D193-G195 PolarHBondContact OD1-N 3.47Å; G195-F197 VanDerWaalsContact C-N 3.26Å; G195-F197 PolarHBondContact O-N 3.26Å; G195-L198 PolarHBondContact O-N 3.42Å; G195-L198 VanDerWaalsContact O-N 3.12Å; G195-T199 PolarHBondContact O-N 3.05Å; G195-T199 PolarHBondContact O-OG1 2.85Å
196A84.8Confident84.5Confident41 Ų4165.6 Ų65.634%0.33939%0.39SS..Hα-helixtrans-56.5-38.9175.600000112.9T191 D193 T199 Q200T191-A196 HydrophobicContact CG2-CB 4.24Å; D193-A196 HydrophobicContact CB-CB 4.02Å; D193-A196 PolarHBondContact OD1-N 3.3Å; A196-T199 WeakPolarHBondContact CA-OG1 3.49Å; A196-T199 PolarHBondContact O-OG1 2.79Å; A196-Q200 PolarHBondContact O-N 2.84Å
197F87.6Confident84.7Confident6 Ų670.4 Ų70.43%0.02640%0.402CS..Hα-helixtrans-61.4-45.8175.1173.6-102000112.8P175 F177 K182 W184 T191 D193 F194 G195 Q200P175-F197 HydrophobicContact CB-CE1 4.24Å; P175-F197 HydrophobicContact CB-CZ 3.65Å; F177-F197 HydrophobicContact CE1-CD1 4.15Å; F177-F197 AromaticContact CE1-CE1 3.98Å; F177-F197 HydrophobicContact CE1-CE1 3.98Å; F177-F197 HydrophobicContact CE1-CE2 4.49Å; F177-F197 HydrophobicContact CE1-CG 4.5Å; F177-F197 HydrophobicContact CE1-CZ 4.18Å; F177-F197 HydrophobicContact CZ-CD1 4.43Å; F177-F197 AromaticContact CZ-CE1 3.92Å; F177-F197 HydrophobicContact CZ-CE1 3.92Å; F177-F197 HydrophobicContact CZ-CZ 4.23Å; K182-F197 HydrophobicContact CB-CB 3.97Å; K182-F197 HydrophobicContact CB-CD2 3.79Å; K182-F197 HydrophobicContact CB-CG 3.89Å; K182-F197 HydrophobicContact CD-CB 4.2Å; W184-F197 AromaticContact CD1-CE2 3.45Å; W184-F197 VanDerWaalsContact CD1-CE2 3.45Å; W184-F197 AromaticContact CD2-CE2 3.95Å; W184-F197 HydrophobicContact CD2-CE2 3.95Å; W184-F197 AromaticContact CD2-CZ 3.84Å; W184-F197 HydrophobicContact CD2-CZ 3.84Å; W184-F197 AromaticContact CE2-CE2 3.56Å; W184-F197 AromaticContact CE2-CZ 3.29Å; W184-F197 HydrophobicContact CE3-CZ 4.4Å; W184-F197 AromaticContact CG-CE2 3.94Å; W184-F197 HydrophobicContact CG-CE2 3.94Å; W184-F197 HydrophobicContact CG-CZ 4.33Å; W184-F197 HydrophobicContact CH2-CE1 4.5Å; W184-F197 HydrophobicContact CH2-CZ 4.06Å; W184-F197 AromaticContact CZ2-CE1 3.86Å; W184-F197 HydrophobicContact CZ2-CE1 3.86Å; W184-F197 HydrophobicContact CZ2-CE2 4.16Å; W184-F197 AromaticContact CZ2-CZ 3.43Å; W184-F197 HydrophobicContact CZ2-CZ 3.43Å; W184-F197 VanDerWaalsContact CZ2-CZ 3.43Å; W184-F197 AromaticContact NE1-CD2 3.85Å; W184-F197 AromaticContact NE1-CE2 3.23Å; W184-F197 AromaticContact NE1-CZ 3.47Å; T191-F197 WeakPolarHBondContact OG1-CB 3.42Å; D193-F197 PolarHBondContact O-N 2.9Å; F194-F197 HydrophobicContact CE2-CD1 4.34Å; F194-F197 WeakPolarHBondContact O-CB 3.23Å; F194-F197 PolarHBondContact O-N 3.3Å; G195-F197 VanDerWaalsContact C-N 3.26Å; G195-F197 PolarHBondContact O-N 3.26Å; F197-Q200 VanDerWaalsContact O-CB 3.31Å; F197-Q200 WeakPolarHBondContact O-CB 3.45Å; F197-Q200 PolarHBondContact O-N 3.14Å
198L84.6Confident84.7Confident93 Ų9369.4 Ų69.449%0.48739%0.392SS..Hα-helixtrans-68.1-39.3-179.6-70.6177.5000112.1F194 G195 Q200F194-L198 HydrophobicContact CD1-CD1 3.88Å; F194-L198 HydrophobicContact CD1-CG 4.23Å; F194-L198 HydrophobicContact CE1-CD1 3.54Å; F194-L198 HydrophobicContact CE1-CD2 4.26Å; F194-L198 HydrophobicContact CE1-CG 3.93Å; F194-L198 HydrophobicContact CZ-CD1 4.31Å; F194-L198 HydrophobicContact CZ-CD2 4.22Å; F194-L198 HydrophobicContact CZ-CG 4.3Å; F194-L198 PolarHBondContact O-N 3Å; F194-L198 VanDerWaalsContact O-N 3.13Å; G195-L198 PolarHBondContact O-N 3.42Å; G195-L198 VanDerWaalsContact O-N 3.12Å; L198-Q200 PolarHBondContact O-N 2.92Å
199T86.3Confident84.9Confident107 Ų10769 Ų6966%0.65638%0.379SS*.THydrogen-bonded Turntrans-80.52.7179.754.20000113.8G195 A196G195-T199 PolarHBondContact O-N 3.05Å; G195-T199 PolarHBondContact O-OG1 2.85Å; A196-T199 WeakPolarHBondContact CA-OG1 3.49Å; A196-T199 PolarHBondContact O-OG1 2.79Å
200Q84.3Confident84.7Confident12 Ų1265.6 Ų65.66%0.05636%0.361CS..PPolyproline II helixtrans-66.1127.6-178-166.5-172.9-74.200109.8H171 W184 C187 I189 A196 F197 L198H171-Q200 PolarHBondContact CE1-NE2 2.84Å; H171-Q200 PolarHBondContact NE2-NE2 2.82Å; H171-Q200 VanDerWaalsContact NE2-NE2 3.12Å; H171-Q200 PolarHBondContact NE2-O 3.48Å; W184-Q200 VanDerWaalsContact CD1-NE2 3.28Å; C187-Q200 PolarHBondContact SG-NE2 2.89Å; I189-Q200 HydrophobicContact CD1-CG 4.48Å; I189-Q200 HydrophobicContact CG2-CG 4.49Å; A196-Q200 PolarHBondContact O-N 2.84Å; F197-Q200 VanDerWaalsContact O-CB 3.31Å; F197-Q200 WeakPolarHBondContact O-CB 3.45Å; F197-Q200 PolarHBondContact O-N 3.14Å; L198-Q200 PolarHBondContact O-N 2.92Å
201P85.8Confident83.9Confident98 Ų9860.9 Ų60.964%0.63634%0.341SS*.PPolyproline II helixtrans-67.1140.2179.927.5-34.5000110.9H171H171-P201 PolarHBondContact CE1-O 3.39Å; H171-P201 PolarHBondContact NE2-O 3.47Å; H171-P201 VanDerWaalsContact NE2-O 3.09Å
202G86.9Confident82.9Confident16 Ų1666 Ų6617%0.16536%0.362CS..PPolyproline II helixtrans-51.6142.3177.500000113.8Y170Y170-G202 VanDerWaalsContact C-CA 3.45Å; Y170-G202 CarbonylContact O-C 3.6Å; Y170-G202 WeakPolarHBondContact O-CA 3.5Å
203C86.8Confident81.9Confident58 Ų5863.2 Ų63.239%0.39235%0.345SS..SBendtrans-87.8-12-177.768.80000113Y170 H171 P172 C186 C187Y170-C203 PolarHBondContact O-N 3.32Å; H171-C203 PolarHBondContact CE1-N 2.79Å; H171-C203 VanDerWaalsContact CE1-N 3.3Å; H171-C203 WeakPolarHBondContact ND1-CB 3.32Å; H171-C203 PolarHBondContact ND1-N 2.83Å; H171-C203 PolarHBondContact ND1-SG 2.88Å; H171-C203 VanDerWaalsContact ND1-SG 3.35Å; P172-C203 WeakPolarHBondContact CD-SG 3.42Å; C186-C203 WeakPolarHBondContact CB-SG 3.34Å; C186-C203 WeakPolarHBondContact SG-CB 3.12Å; C186-C203 CovalentContact SG-SG 2.09Å; C186-C203 PolarHBondContact SG-SG 3.47Å; C187-C203 HydrophobicContact CB-CB 3.59Å
204R83.6Confident80.9Confident104 Ų10463 Ų6339%0.39234%0.343SS..EExtended strand (participates in β ladder)trans-130.5148.3-179.4-168.3169.9-175.2-172.6-3.9110.2E129 T169 Y170 P172E129-R204 IonicContact OE1-CZ 2.66Å; E129-R204 IonicContact OE1-NH1 3.4Å; E129-R204 PolarHBondContact OE1-NH1 2.73Å; E129-R204 IonicContact OE1-NH2 3.66Å; E129-R204 PolarHBondContact OE1-NH2 2.76Å; E129-R204 IonicContact OE2-NH2 2.61Å; T169-R204 CarbonylContact C-O 3.52Å; T169-R204 VanDerWaalsContact CA-O 3.31Å; T169-R204 WeakPolarHBondContact CA-O 3.25Å; Y170-R204 PolarHBondContact N-O 2.82Å; Y170-R204 PolarHBondContact O-N 2.88Å; P172-R204 HydrophobicContact CG-CB 4.23Å
205V85.9Confident80.1Confident97 Ų9764 Ų6459%0.58836%0.36SS*.EExtended strand (participates in β ladder)trans-106132.7174.9-172.50000108.8P167 C168 T169P167-V205 HydrophobicContact CB-CG1 3.61Å; C168-V205 CarbonylContact O-C 3.58Å; C168-V205 WeakPolarHBondContact O-CA 3.09Å; T169-V205 HydrophobicContact CG2-CG2 4.15Å
206G83.3Confident79.5Confident26 Ų2663.2 Ų63.227%0.26835%0.35SS..EExtended strand (participates in β ladder)trans-160.8-151.4176.100000112.1C168C168-G206 WeakPolarHBondContact CB-O 3.41Å; C168-G206 PolarHBondContact N-O 3.44Å; C168-G206 PolarHBondContact O-N 2.91Å
207R82.1Confident78.9Confident150 Ų15066.9 Ų66.957%0.56637%0.374SS*.  trans-95.8155.2178-66.8-178.4-178.9-89.8-0.4111.2N151 C168N151-R207 PolarHBondContact ND2-O 2.83Å; C168-R207 WeakPolarHBondContact CB-O 3.39Å
208H80.8Confident78.6Confident23 Ų2367.1 Ų67.111%0.10638%0.376CS..  trans-69.5141.5174.5-69.6-75.8000110.6C149 C154 A156 S163 A166 C168 W210C149-H208 PolarHBondContact SG-ND1 2.85Å; C149-H208 VanDerWaalsContact SG-ND1 3.45Å; C154-H208 PolarHBondContact SG-CE1 3.5Å; C154-H208 PolarHBondContact SG-ND1 3.04Å; A156-H208 WeakPolarHBondContact CB-CE1 3.46Å; S163-H208 PolarHBondContact O-CD2 2.92Å; A166-H208 PolarHBondContact O-CD2 2.96Å; A166-H208 PolarHBondContact O-NE2 2.75Å; C168-H208 HydrophobicContact CB-CB 4.34Å; H208-W210 HydrophobicContact CB-CD2 3.79Å; H208-W210 HydrophobicContact CB-CE3 4.26Å; H208-W210 HydrophobicContact CB-CG 4.47Å; H208-W210 HydrophobicContact CB-CH2 3.7Å; H208-W210 HydrophobicContact CB-CZ2 3.13Å; H208-W210 HydrophobicContact CB-CZ3 4.23Å; H208-W210 AromaticContact CD2-CH2 3.92Å; H208-W210 AromaticContact CD2-CZ2 3.48Å; H208-W210 VanDerWaalsContact CD2-CZ2 3.48Å; H208-W210 WeakPolarHBondContact CD2-CZ2 3.3Å; H208-W210 AromaticContact CG-CE2 3.81Å; H208-W210 AromaticContact CG-CH2 3.48Å; H208-W210 VanDerWaalsContact CG-CH2 3.48Å; H208-W210 AromaticContact CG-CZ2 3.19Å; H208-W210 AromaticContact ND1-CH2 3.64Å; H208-W210 AromaticContact ND1-CZ2 3.87Å
209D79.5Confident78.8Confident37 Ų3771.4 Ų71.420%0.19839%0.386CS..  trans-101.6104.2168-178.43.4000108.5C149 Q150 N151 A211 N261C149-D209 CarbonylContact C-O 3.58Å; C149-D209 WeakPolarHBondContact CA-O 3.47Å; Q150-D209 HydrophobicContact CB-CB 4.33Å; Q150-D209 PolarHBondContact N-O 3.03Å; N151-D209 PolarHBondContact ND2-N 2.88Å; D209-A211 PolarHBondContact OD1-N 2.73Å; D209-N261 PolarHBondContact OD1-ND2 3.13Å; D209-N261 PolarHBondContact OD2-ND2 3.28Å
210W80.8Confident79Confident13 Ų1371 Ų715%0.04938%0.376CS..  trans-94.8-4.7-179.9-49.4115.7000113.2I143 C149 A156 Y158 D164 H208 K212I143-W210 HydrophobicContact CD1-CB 3.85Å; I143-W210 HydrophobicContact CD1-CG 4.41Å; I143-W210 HydrophobicContact CG1-CB 4.08Å; I143-W210 HydrophobicContact CG2-CB 3.63Å; I143-W210 HydrophobicContact CG2-CG 4.31Å; C149-W210 HydrophobicContact CB-CE3 4.2Å; C149-W210 HydrophobicContact CB-CZ3 3.84Å; A156-W210 HydrophobicContact CB-CH2 3.81Å; A156-W210 HydrophobicContact CB-CZ3 4.21Å; Y158-W210 AromaticContact CD2-CD1 3.81Å; Y158-W210 AromaticContact CD2-CD2 3.74Å; Y158-W210 HydrophobicContact CD2-CD2 3.74Å; Y158-W210 AromaticContact CD2-CE2 3.57Å; Y158-W210 HydrophobicContact CD2-CE3 4.4Å; Y158-W210 AromaticContact CD2-CG 3.86Å; Y158-W210 HydrophobicContact CD2-CG 3.86Å; Y158-W210 HydrophobicContact CD2-CZ2 4.07Å; Y158-W210 AromaticContact CD2-NE1 3.64Å; Y158-W210 HydrophobicContact CG-CD2 4.2Å; Y158-W210 HydrophobicContact CG-CE3 4.5Å; Y158-W210 HydrophobicContact CG-CG 4.36Å; D164-W210 PolarHBondContact OD1-NE1 2.83Å; H208-W210 HydrophobicContact CB-CD2 3.79Å; H208-W210 HydrophobicContact CB-CE3 4.26Å; H208-W210 HydrophobicContact CB-CG 4.47Å; H208-W210 HydrophobicContact CB-CH2 3.7Å; H208-W210 HydrophobicContact CB-CZ2 3.13Å; H208-W210 HydrophobicContact CB-CZ3 4.23Å; H208-W210 AromaticContact CD2-CH2 3.92Å; H208-W210 AromaticContact CD2-CZ2 3.48Å; H208-W210 VanDerWaalsContact CD2-CZ2 3.48Å; H208-W210 WeakPolarHBondContact CD2-CZ2 3.3Å; H208-W210 AromaticContact CG-CE2 3.81Å; H208-W210 AromaticContact CG-CH2 3.48Å; H208-W210 VanDerWaalsContact CG-CH2 3.48Å; H208-W210 AromaticContact CG-CZ2 3.19Å; H208-W210 AromaticContact ND1-CH2 3.64Å; H208-W210 AromaticContact ND1-CZ2 3.87Å; W210-K212 PolarHBondContact O-N 2.68Å
211A68.5Low79.5Confident13 Ų1374.1 Ų74.111%0.10739%0.393CS..  trans-74.9127.5-170.100000110.6L138 Q150 D209 N261L138-A211 HydrophobicContact CD2-CB 4.05Å; Q150-A211 WeakPolarHBondContact CG-O 3.46Å; D209-A211 PolarHBondContact OD1-N 2.73Å; A211-N261 HydrophobicContact CB-CB 4.11Å; A211-N261 WeakPolarHBondContact CB-ND2 3.32Å; A211-N261 PolarHBondContact O-ND2 3.14Å
212K65Low79.9Confident131 Ų13173 Ų7357%0.5738%0.376SS*.  trans-67.2136.6170.6-69.7-177.9-179.6176.70108.7W210 L214W210-K212 PolarHBondContact O-N 2.68Å; K212-L214 PolarHBondContact O-N 3.06Å; K212-L214 VanDerWaalsContact O-N 3.09Å
213H65Low80.1Confident67 Ų6777 Ų7731%0.3139%0.39SS..  trans-59.5114170.7-74.5-162.1000108.9N261 V263H213-N261 WeakPolarHBondContact CA-O 3.26Å; H213-V263 HydrophobicContact CB-CG2 3.56Å
214L65.5Low80.4Confident93 Ų9376.9 Ų76.949%0.48738%0.384SS..EExtended strand (participates in β ladder)trans-91.2123.8178.2-68.9171.8000108.2K212 A216 N261 V263K212-L214 PolarHBondContact O-N 3.06Å; K212-L214 VanDerWaalsContact O-N 3.09Å; L214-A216 PolarHBondContact O-N 2.79Å; L214-A216 VanDerWaalsContact O-N 3.16Å; L214-N261 PolarHBondContact N-O 3.05Å; L214-V263 PolarHBondContact O-N 3.44Å
215P69.4Low80.7Confident124 Ų12475.3 Ų75.381%0.80539%0.386SS*.EExtended strand (participates in β ladder)trans-57.4122.2170.7-17.829.3000108.7
216A72.5Confident80.7Confident18 Ų1876.8 Ų76.815%0.14939%0.39CS..  trans-109.8129.1178.500000109.5L214 C218 R262 V263L214-A216 PolarHBondContact O-N 2.79Å; L214-A216 VanDerWaalsContact O-N 3.16Å; A216-C218 PolarHBondContact O-N 3.35Å; A216-R262 HydrophobicContact CB-CB 3.81Å; A216-R262 HydrophobicContact CB-CG 4.44Å; A216-V263 PolarHBondContact N-O 3Å
217S72.4Confident80.9Confident119 Ų11978.6 Ų78.683%0.83240%0.399SS*.  trans-69.888.6163.1-174.20000107.8
218C81.7Confident81.4Confident10 Ų1073.6 Ų73.67%0.06838%0.384CS..  trans-83129.3174.5-65.50000109A216 H220 V233 F264A216-C218 PolarHBondContact O-N 3.35Å; C218-H220 PolarHBondContact O-N 3.14Å; C218-H220 PolarHBondContact O-ND1 3.19Å; C218-V233 HydrophobicContact CB-CG1 4.01Å; C218-F264 HydrophobicContact CB-CB 4.16Å; C218-F264 HydrophobicContact CB-CD2 3.61Å; C218-F264 HydrophobicContact CB-CE2 4.3Å; C218-F264 HydrophobicContact CB-CG 4.12Å
219R88.3Confident82Confident184 Ų18472.5 Ų72.569%0.69438%0.379SS*.  trans-56.6133.2164.9-178.6178.9173.5-178-1.4108.3Y234R219-Y234 HydrophobicContact CB-CD2 4.39Å; R219-Y234 HydrophobicContact CG-CD2 4.07Å; R219-Y234 WeakPolarHBondContact O-CD2 3.44Å; R219-Y234 PolarHBondContact O-N 3.37Å
220H91.7Very high82.8Confident97 Ų9771.1 Ų71.145%0.44937%0.371SS..EExtended strand (participates in β ladder)trans-138.8152.5172.460-80000109.1C218 L231 T232 V233 F264C218-H220 PolarHBondContact O-N 3.14Å; C218-H220 PolarHBondContact O-ND1 3.19Å; H220-L231 HydrophobicContact CB-CD1 4.41Å; H220-T232 CarbonylContact C-O 3.5Å; H220-T232 WeakPolarHBondContact CA-O 3.4Å; H220-T232 WeakPolarHBondContact CB-O 3.46Å; H220-V233 HydrophobicContact CB-CG2 4.28Å; H220-F264 HydrophobicContact CB-CZ 4.42Å; H220-F264 AromaticContact ND1-CE2 3.86Å; H220-F264 AromaticContact ND1-CZ 3.98Å
221D93.3Very high83.5Confident78 Ų7870.5 Ų70.542%0.41737%0.369SS..EExtended strand (participates in β ladder)trans-142.6158.3179.6-166.25.3000109T232 Y234D221-T232 PolarHBondContact N-O 3.07Å; D221-T232 PolarHBondContact O-N 2.9Å; D221-Y234 HydrophobicContact CB-CE2 4.09Å
222W94.4Very high84.7Confident74 Ų7470.1 Ų70.128%0.2837%0.365SS..EExtended strand (participates in β ladder)trans-135.3143.9176.674.2-73.2000110.8Q224 V229 V230 L231 W300 L303W222-Q224 HydrophobicContact CZ3-CB 4.27Å; W222-Q224 HydrophobicContact CZ3-CG 4.28Å; W222-V229 HydrophobicContact CE3-CG1 4.06Å; W222-V230 VanDerWaalsContact CA-O 3.23Å; W222-V230 WeakPolarHBondContact CA-O 3.45Å; W222-L231 HydrophobicContact CB-CD1 4.27Å; W222-W300 HydrophobicContact CZ3-CB 4.47Å; W222-L303 HydrophobicContact CB-CD2 4Å; W222-L303 HydrophobicContact CD2-CB 3.75Å; W222-L303 HydrophobicContact CD2-CD1 4.29Å; W222-L303 HydrophobicContact CD2-CG 4.41Å; W222-L303 HydrophobicContact CE3-CB 4.2Å; W222-L303 HydrophobicContact CE3-CD1 4.16Å; W222-L303 HydrophobicContact CG-CB 4Å; W222-L303 HydrophobicContact CG-CD1 4.44Å; W222-L303 HydrophobicContact CG-CD2 3.97Å; W222-L303 HydrophobicContact CG-CG 4.37Å; W222-L303 HydrophobicContact CZ2-CB 4.28Å
223H92.6Very high86.1Confident101 Ų10163.9 Ų63.947%0.46834%0.338SS..EExtended strand (participates in β ladder)trans-135.3168.6171.167.692.9000109.4V230H223-V230 PolarHBondContact N-O 3.16Å; H223-V230 WeakPolarHBondContact NE2-CB 3.23Å; H223-V230 PolarHBondContact O-N 2.89Å
224Q92.1Very high87.4Confident56 Ų5664.6 Ų64.626%0.26234%0.339SS..EExtended strand (participates in β ladder)trans-142.4155.1-178.865.6179.8-39.900111.8W222 L228 V229 S299 W300W222-Q224 HydrophobicContact CZ3-CB 4.27Å; W222-Q224 HydrophobicContact CZ3-CG 4.28Å; Q224-L228 CarbonylContact C-O 3.6Å; Q224-L228 VanDerWaalsContact CA-O 3.26Å; Q224-L228 WeakPolarHBondContact CA-O 3.26Å; Q224-L228 WeakPolarHBondContact CB-O 3.09Å; Q224-V229 HydrophobicContact CB-CG2 4.37Å; Q224-S299 PolarHBondContact NE2-OG 2.65Å; Q224-W300 PolarHBondContact NE2-O 2.87Å
225T90.6Very high88.5Confident70 Ų7060.9 Ų60.943%0.42932%0.322SS..  trans-113.3-175.3162.1680000108.2S227 L228 K294T225-S227 PolarHBondContact O-N 3.42Å; T225-L228 PolarHBondContact N-O 3.26Å; T225-L228 WeakPolarHBondContact OG1-CB 3.44Å; T225-L228 PolarHBondContact OG1-N 3.09Å; T225-K294 PolarHBondContact O-NZ 3.48Å
226D85.1Confident89.4Confident128 Ų12862 Ų6268%0.68432%0.317SS*.SBendtrans-59.7-31178.3-64.9-25.5000113.1P297 G298D226-P297 WeakPolarHBondContact O-CA 3.28Å; D226-G298 PolarHBondContact O-N 3.2Å
227S87.3Confident90Very high65 Ų6562.6 Ų62.646%0.45532%0.317SS..SBendtrans-120.6-10.4-173.358.50000114.9T225 K294T225-S227 PolarHBondContact O-N 3.42Å; S227-K294 WeakPolarHBondContact O-CB 3.46Å; S227-K294 PolarHBondContact O-N 2.88Å
228L92Very high90.7Very high45 Ų4556.9 Ų56.924%0.23628%0.278CS..EExtended strand (participates in β ladder)trans-128142.9-175.7-167.772.9000110.9Q224 T225 V230 L292 V293Q224-L228 CarbonylContact C-O 3.6Å; Q224-L228 VanDerWaalsContact CA-O 3.26Å; Q224-L228 WeakPolarHBondContact CA-O 3.26Å; Q224-L228 WeakPolarHBondContact CB-O 3.09Å; T225-L228 PolarHBondContact N-O 3.26Å; T225-L228 WeakPolarHBondContact OG1-CB 3.44Å; T225-L228 PolarHBondContact OG1-N 3.09Å; L228-V230 HydrophobicContact CD2-CG2 3.44Å; L228-V230 VanDerWaalsContact CD2-CG2 3.44Å; L228-V230 HydrophobicContact CG-CG2 3.82Å; L228-L292 WeakPolarHBondContact CD1-O 3.4Å; L228-V293 HydrophobicContact CD1-CG2 3.84Å
229V94.4Very high90.8Very high0 Ų058.3 Ų58.30%028%0.284CS..EExtended strand (participates in β ladder)trans-115.1129.1164.4-178.90000107.4W222 Q224 L292 K294 W300 L303W222-V229 HydrophobicContact CE3-CG1 4.06Å; Q224-V229 HydrophobicContact CB-CG2 4.37Å; V229-L292 HydrophobicContact CB-CB 4.36Å; V229-L292 PolarHBondContact N-O 2.96Å; V229-L292 PolarHBondContact O-N 3.27Å; V229-K294 HydrophobicContact CG2-CD 4.18Å; V229-K294 HydrophobicContact CG2-CG 3.96Å; V229-W300 HydrophobicContact CG1-CZ3 4.48Å; V229-W300 HydrophobicContact CG2-CD2 3.89Å; V229-W300 HydrophobicContact CG2-CE3 3.82Å; V229-W300 HydrophobicContact CG2-CH2 4.07Å; V229-W300 HydrophobicContact CG2-CZ2 4.14Å; V229-W300 HydrophobicContact CG2-CZ3 3.92Å; V229-L303 HydrophobicContact CG1-CD1 3.61Å
230V95.6Very high90.6Very high7 Ų751.1 Ų51.14%0.04226%0.262CS..EExtended strand (participates in β ladder)trans-119.4117.9179.4-176.30000108.5W222 H223 L228 E289 I290W222-V230 VanDerWaalsContact CA-O 3.23Å; W222-V230 WeakPolarHBondContact CA-O 3.45Å; H223-V230 PolarHBondContact N-O 3.16Å; H223-V230 WeakPolarHBondContact NE2-CB 3.23Å; H223-V230 PolarHBondContact O-N 2.89Å; L228-V230 HydrophobicContact CD2-CG2 3.44Å; L228-V230 VanDerWaalsContact CD2-CG2 3.44Å; L228-V230 HydrophobicContact CG-CG2 3.82Å; V230-E289 HydrophobicContact CG1-CB 4.24Å; V230-E289 HydrophobicContact CG1-CG 4.16Å; V230-I290 WeakPolarHBondContact CA-O 3.37Å
231L95.2Very high90Very high1 Ų148.3 Ų48.31%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-99.1120.6171.5171.165.7000108.7H220 W222 L252 V254 M268 E289 I290 L303H220-L231 HydrophobicContact CB-CD1 4.41Å; W222-L231 HydrophobicContact CB-CD1 4.27Å; L231-L252 HydrophobicContact CD2-CD2 3.88Å; L231-V254 HydrophobicContact CD2-CG2 4.44Å; L231-M268 HydrophobicContact CD2-CE 3.92Å; L231-M268 HydrophobicContact CD2-SD 4.22Å; L231-E289 CarbonylContact O-C 3.51Å; L231-I290 HydrophobicContact CB-CB 4.26Å; L231-I290 HydrophobicContact CD2-CD1 4.06Å; L231-I290 HydrophobicContact CG-CD1 4.46Å; L231-I290 PolarHBondContact N-O 3.46Å; L231-I290 PolarHBondContact O-N 3.3Å; L231-L303 HydrophobicContact CD1-CD2 4.09Å
232T95.1Very high89.3Confident4 Ų447.7 Ų47.73%0.02525%0.249CC..EExtended strand (participates in β ladder)trans-106.8121.3179.4-56.10000109.8H220 D221 Y234 R287 V288 E289H220-T232 CarbonylContact C-O 3.5Å; H220-T232 WeakPolarHBondContact CA-O 3.4Å; H220-T232 WeakPolarHBondContact CB-O 3.46Å; D221-T232 PolarHBondContact N-O 3.07Å; D221-T232 PolarHBondContact O-N 2.9Å; T232-Y234 HydrophobicContact CG2-CD1 4.46Å; T232-Y234 HydrophobicContact CG2-CD2 4.4Å; T232-Y234 HydrophobicContact CG2-CE1 4.03Å; T232-Y234 HydrophobicContact CG2-CE2 3.95Å; T232-R287 HydrophobicContact CG2-CB 3.96Å; T232-R287 HydrophobicContact CG2-CG 4.37Å; T232-V288 CarbonylContact C-O 3.52Å; T232-V288 WeakPolarHBondContact CA-O 3.48Å; T232-E289 HydrophobicContact CG2-CG 4.26Å
233V94.1Very high88.8Confident0 Ų044.6 Ų44.60%024%0.237CC..EExtended strand (participates in β ladder)trans-105.2121.7172.8-174.30000108.1C218 H220 F258 F264 R287 V288C218-V233 HydrophobicContact CB-CG1 4.01Å; H220-V233 HydrophobicContact CB-CG2 4.28Å; V233-F258 HydrophobicContact CG1-CE2 4.08Å; V233-F258 HydrophobicContact CG1-CZ 3.91Å; V233-F264 HydrophobicContact CB-CD1 4.44Å; V233-F264 HydrophobicContact CB-CE1 4.47Å; V233-F264 HydrophobicContact CG1-CB 4.22Å; V233-F264 HydrophobicContact CG1-CD1 3.64Å; V233-F264 HydrophobicContact CG1-CD2 4.23Å; V233-F264 HydrophobicContact CG1-CE1 3.97Å; V233-F264 HydrophobicContact CG1-CE2 4.5Å; V233-F264 HydrophobicContact CG1-CG 3.76Å; V233-F264 HydrophobicContact CG1-CZ 4.37Å; V233-F264 HydrophobicContact CG2-CD1 3.95Å; V233-F264 HydrophobicContact CG2-CE1 3.61Å; V233-F264 HydrophobicContact CG2-CZ 4.23Å; V233-R287 CarbonylContact O-C 3.55Å; V233-R287 VanDerWaalsContact O-CA 3.26Å; V233-R287 WeakPolarHBondContact O-CA 3.49Å; V233-V288 HydrophobicContact CB-CB 4.47Å; V233-V288 PolarHBondContact N-O 3.07Å; V233-V288 PolarHBondContact O-N 3.07Å
234Y91.8Very high88.6Confident83 Ų8343.3 Ų43.333%0.32523%0.228SC..EExtended strand (participates in β ladder)trans-88.9132.3-177.9-63.2-88.6000111R219 D221 T232 R287R219-Y234 HydrophobicContact CB-CD2 4.39Å; R219-Y234 HydrophobicContact CG-CD2 4.07Å; R219-Y234 WeakPolarHBondContact O-CD2 3.44Å; R219-Y234 PolarHBondContact O-N 3.37Å; D221-Y234 HydrophobicContact CB-CE2 4.09Å; T232-Y234 HydrophobicContact CG2-CD1 4.46Å; T232-Y234 HydrophobicContact CG2-CD2 4.4Å; T232-Y234 HydrophobicContact CG2-CE1 4.03Å; T232-Y234 HydrophobicContact CG2-CE2 3.95Å; Y234-R287 HydrophobicContact CD1-CB 4.28Å
235G88.6Confident88.6Confident14 Ų1440.7 Ų40.714%0.14422%0.216CC..  trans175.6150.3178.200000111.3F258 S286 R287G235-F258 VanDerWaalsContact C-CE1 3.45Å; G235-F258 WeakPolarHBondContact O-CE1 3.2Å; G235-S286 PolarHBondContact N-O 2.85Å; G235-S286 VanDerWaalsContact N-O 3.13Å; G235-S286 CarbonylContact O-C 3.48Å; G235-S286 WeakPolarHBondContact O-CA 3.36Å; G235-R287 PolarHBondContact O-N 3.14Å
236Q88.5Confident88.6Confident149 Ų14940.6 Ų40.670%0.69621%0.21SC*.SBendtrans-85.3133-175-64.3-170.818.200111.1F258 D259 P285Q236-F258 WeakPolarHBondContact O-CB 3.4Å; Q236-D259 PolarHBondContact O-N 3.18Å; Q236-P285 WeakPolarHBondContact CA-O 3.46Å
237I84.6Confident88.9Confident29 Ų2934.5 Ų34.515%0.14918%0.177CC..SBendtrans51.570.1169.5-52.3173.9000111.2L121 L125 K128 L239 D259 P285L121-I237 HydrophobicContact CD1-CG2 4.33Å; L125-I237 HydrophobicContact CD2-CG2 3.38Å; L125-I237 HydrophobicContact CG-CG2 4.12Å; K128-I237 HydrophobicContact CD-CD1 4.28Å; I237-L239 PolarHBondContact O-N 3.42Å; I237-D259 HydrophobicContact CB-CB 3.95Å; I237-D259 HydrophobicContact CG2-CB 4.42Å; I237-D259 PolarHBondContact O-N 3.14Å; I237-D259 VanDerWaalsContact O-N 3.12Å; I237-P285 PolarHBondContact N-O 3.05Å
238P87.7Confident89Confident0 Ų031.8 Ų31.80%016%0.158CC..BIsolated β-bridgetrans-62.2132.8174.125.2-33.5000110.9L121 P240 N243 V256 V257 F258 L283 M284 V288L121-P238 HydrophobicContact CD1-CG 4.21Å; L121-P238 HydrophobicContact CD2-CG 3.83Å; P238-P240 VanDerWaalsContact O-CD 3.26Å; P238-P240 WeakPolarHBondContact O-CD 3.39Å; P238-N243 WeakPolarHBondContact CB-ND2 3.34Å; P238-V256 HydrophobicContact CB-CG1 4.23Å; P238-V257 WeakPolarHBondContact CA-O 3.44Å; P238-F258 HydrophobicContact CB-CD1 3.93Å; P238-F258 HydrophobicContact CB-CE1 3.95Å; P238-F258 HydrophobicContact CG-CE1 4.44Å; P238-L283 HydrophobicContact CB-CD2 4.38Å; P238-L283 HydrophobicContact CG-CB 4.23Å; P238-L283 HydrophobicContact CG-CD2 4.5Å; P238-M284 WeakPolarHBondContact CD-O 3.39Å; P238-M284 VanDerWaalsContact CG-O 3.23Å; P238-M284 WeakPolarHBondContact CG-O 3.45Å; P238-V288 HydrophobicContact CB-CG2 3.69Å; P238-V288 HydrophobicContact CG-CG2 3.79Å
239L84.8Confident88.7Confident39 Ų3933.6 Ų33.620%0.20417%0.166CC..  trans-87.8106.5-176.1-59.7178.3000111.2L125 I237 A241 F242 N243 V257L125-L239 HydrophobicContact CD2-CD2 4.01Å; I237-L239 PolarHBondContact O-N 3.42Å; L239-A241 VanDerWaalsContact C-N 3.26Å; L239-A241 PolarHBondContact O-N 3Å; L239-A241 VanDerWaalsContact O-N 3.11Å; L239-F242 HydrophobicContact CB-CD2 3.84Å; L239-F242 HydrophobicContact CD1-CD2 4.08Å; L239-F242 HydrophobicContact CD1-CE2 4.39Å; L239-F242 PolarHBondContact O-N 3.45Å; L239-F242 VanDerWaalsContact O-N 3.09Å; L239-N243 PolarHBondContact O-N 2.75Å; L239-N243 PolarHBondContact O-ND2 2.71Å; L239-N243 PolarHBondContact O-OD1 3.08Å; L239-V257 HydrophobicContact CD1-CG1 4.2Å; L239-V257 PolarHBondContact N-O 2.86Å
240P82.4Confident88.4Confident34 Ų3433.9 Ų33.922%0.22117%0.167CC..THydrogen-bonded Turntrans-61.9-30.2-167.6-24.535.3000114.7I117 L125 P238 F242 L283I117-P240 HydrophobicContact CD1-CB 3.6Å; I117-P240 HydrophobicContact CD1-CG 3.84Å; I117-P240 HydrophobicContact CG1-CB 4.05Å; I117-P240 HydrophobicContact CG1-CG 4.13Å; I117-P240 HydrophobicContact CG2-CG 4.45Å; L125-P240 HydrophobicContact CD1-CG 4Å; P238-P240 VanDerWaalsContact O-CD 3.26Å; P238-P240 WeakPolarHBondContact O-CD 3.39Å; P240-F242 VanDerWaalsContact C-N 3.26Å; P240-F242 PolarHBondContact O-N 2.89Å; P240-L283 HydrophobicContact CB-CD1 3.87Å; P240-L283 HydrophobicContact CG-CD1 4Å
241A79.1Confident88.1Confident37 Ų3735.5 Ų35.531%0.30617%0.174SC..THydrogen-bonded Turntrans-68.6-23.1-17900000113.6L239L239-A241 VanDerWaalsContact C-N 3.26Å; L239-A241 PolarHBondContact O-N 3Å; L239-A241 VanDerWaalsContact O-N 3.11Å
242F79.1Confident88Confident66 Ų6635.4 Ų35.429%0.28917%0.174SC..THydrogen-bonded Turntrans-108.6-4.8-175.2-58.1-78000113.2L239 P240 H255 V257L239-F242 HydrophobicContact CB-CD2 3.84Å; L239-F242 HydrophobicContact CD1-CD2 4.08Å; L239-F242 HydrophobicContact CD1-CE2 4.39Å; L239-F242 PolarHBondContact O-N 3.45Å; L239-F242 VanDerWaalsContact O-N 3.09Å; P240-F242 VanDerWaalsContact C-N 3.26Å; P240-F242 PolarHBondContact O-N 2.89Å; F242-H255 PolarHBondContact O-ND1 2.83Å; F242-H255 VanDerWaalsContact O-ND1 3.17Å; F242-V257 HydrophobicContact CB-CB 3.88Å; F242-V257 HydrophobicContact CB-CG1 4.46Å; F242-V257 HydrophobicContact CB-CG2 3.67Å
243N85.3Confident87.8Confident8 Ų837.4 Ų37.44%0.04318%0.183CC..  trans-91.3134.4-177.3-64-12.1000110.7L115 P238 L239 H255 V257L115-N243 VanDerWaalsContact CD1-O 3.32Å; L115-N243 WeakPolarHBondContact CD1-O 3.42Å; L115-N243 HydrophobicContact CD2-CB 4.19Å; P238-N243 WeakPolarHBondContact CB-ND2 3.34Å; L239-N243 PolarHBondContact O-N 2.75Å; L239-N243 PolarHBondContact O-ND2 2.71Å; L239-N243 PolarHBondContact O-OD1 3.08Å; N243-H255 WeakPolarHBondContact CA-O 3.35Å; N243-V257 PolarHBondContact OD1-N 2.73Å; N243-V257 PolarHBondContact OD1-O 2.58Å
244W87.6Confident87.8Confident74 Ų7437.5 Ų37.528%0.2818%0.183SC..EExtended strand (participates in β ladder)trans-148.1143.717256.4-93.6000110.3L112 K246 Q253 H255L112-W244 HydrophobicContact CD2-CB 3.97Å; W244-K246 HydrophobicContact CE3-CD 4.02Å; W244-K246 HydrophobicContact CE3-CG 3.86Å; W244-K246 HydrophobicContact CZ3-CD 3.95Å; W244-K246 HydrophobicContact CZ3-CG 4.11Å; W244-Q253 HydrophobicContact CZ3-CB 4.02Å; W244-H255 AromaticContact CD1-ND1 3.7Å; W244-H255 HydrophobicContact CD2-CB 3.57Å; W244-H255 AromaticContact CE2-CG 3.54Å; W244-H255 AromaticContact CE2-ND1 3.99Å; W244-H255 HydrophobicContact CE3-CB 4.02Å; W244-H255 HydrophobicContact CG-CB 4.1Å; W244-H255 HydrophobicContact CH2-CB 3.83Å; W244-H255 HydrophobicContact CZ2-CB 3.35Å; W244-H255 AromaticContact CZ2-CG 3.75Å; W244-H255 HydrophobicContact CZ3-CB 4.14Å; W244-H255 PolarHBondContact N-O 3.44Å; W244-H255 AromaticContact NE1-CE1 3.99Å; W244-H255 AromaticContact NE1-CG 3.34Å; W244-H255 VanDerWaalsContact NE1-CG 3.34Å; W244-H255 AromaticContact NE1-ND1 3.3Å; W244-H255 PolarHBondContact NE1-ND1 3.29Å; W244-H255 PolarHBondContact O-N 2.91Å
245V91.3Very high87.7Confident1 Ų134.9 Ų34.91%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-130.2124.9173-177.40000107.1L112 L113 L252 Q253 V254 V281 I290L112-V245 WeakPolarHBondContact CA-O 3.49Å; L113-V245 HydrophobicContact CD1-CG1 3.9Å; L113-V245 HydrophobicContact CG-CG1 4.45Å; L113-V245 PolarHBondContact N-O 3.38Å; V245-L252 HydrophobicContact CG1-CD1 3.65Å; V245-Q253 CarbonylContact C-O 3.57Å; V245-Q253 WeakPolarHBondContact CA-O 3.34Å; V245-V254 HydrophobicContact CG1-CG2 4.29Å; V245-V254 HydrophobicContact CG2-CG1 4.29Å; V245-V281 HydrophobicContact CB-CG2 3.65Å; V245-V281 HydrophobicContact CG1-CG2 4.16Å; V245-V281 HydrophobicContact CG2-CG1 4.16Å; V245-V281 HydrophobicContact CG2-CG2 3.62Å; V245-I290 HydrophobicContact CG1-CD1 4.31Å; V245-I290 HydrophobicContact CG1-CG2 4.2Å; V245-I290 HydrophobicContact CG2-CD1 4.08Å; V245-I290 HydrophobicContact CG2-CG1 4.3Å
246K91.9Very high87.8Confident69 Ų6934.3 Ų34.330%0.317%0.168SC..EExtended strand (participates in β ladder)trans-111132175.5-63.2172.4-175.6168.80108.6P110 K111 L112 W244 Q253P110-K246 HydrophobicContact CB-CB 4.02Å; P110-K246 HydrophobicContact CG-CB 4.44Å; K111-K246 CarbonylContact O-C 3.54Å; K111-K246 VanDerWaalsContact O-CA 3.26Å; K111-K246 WeakPolarHBondContact O-CA 3.45Å; L112-K246 HydrophobicContact CD2-CD 4.28Å; L112-K246 HydrophobicContact CD2-CG 3.46Å; L112-K246 VanDerWaalsContact CD2-CG 3.46Å; L112-K246 HydrophobicContact CG-CG 4.04Å; W244-K246 HydrophobicContact CE3-CD 4.02Å; W244-K246 HydrophobicContact CE3-CG 3.86Å; W244-K246 HydrophobicContact CZ3-CD 3.95Å; W244-K246 HydrophobicContact CZ3-CG 4.11Å; K246-Q253 HydrophobicContact CB-CB 4.29Å; K246-Q253 PolarHBondContact N-O 2.83Å; K246-Q253 PolarHBondContact O-N 2.82Å
247A90.8Very high87.8Confident0 Ų027.3 Ų27.30%014%0.135CC..EExtended strand (participates in β ladder)trans-127.7137178.100000110.3P110 K111 L113 E251 L252 I274 V276P110-A247 CarbonylContact C-O 3.58Å; P110-A247 WeakPolarHBondContact CA-O 3.17Å; K111-A247 PolarHBondContact N-O 3.29Å; K111-A247 PolarHBondContact O-N 3.43Å; L113-A247 HydrophobicContact CD1-CB 3.91Å; L113-A247 HydrophobicContact CD2-CB 3.89Å; L113-A247 HydrophobicContact CG-CB 3.88Å; A247-E251 CarbonylContact C-O 3.59Å; A247-E251 WeakPolarHBondContact CA-O 3.19Å; A247-L252 HydrophobicContact CB-CD1 3.94Å; A247-I274 HydrophobicContact CB-CD1 4.08Å; A247-V276 HydrophobicContact CB-CG1 4.27Å; A247-V276 WeakPolarHBondContact O-CG1 3.29Å
248S89.1Confident88Confident8 Ų826.1 Ų26.16%0.05613%0.129CC..  trans-103.8179.8160.8-169.50000108.7M108 T250 E251 I274 V276M108-S248 PolarHBondContact O-OG 3.04Å; S248-T250 PolarHBondContact O-N 2.73Å; S248-T250 VanDerWaalsContact O-N 3.14Å; S248-E251 PolarHBondContact N-O 3.4Å; S248-I274 WeakPolarHBondContact O-CD1 3.41Å; S248-I274 WeakPolarHBondContact O-CG1 3.39Å; S248-V276 VanDerWaalsContact C-CG2 3.49Å
249Q86.6Confident87.7Confident82 Ų8228.6 Ų28.638%0.38314%0.142SC..SBendtrans-59.9-24.2177.7-74.2-17911.700112.9P104 V273 I274 V276P104-Q249 HydrophobicContact CG-CB 4.41Å; Q249-V273 HydrophobicContact CB-CG1 4.11Å; Q249-V273 CarbonylContact O-C 2.93Å; Q249-V273 VanDerWaalsContact O-CA 3.3Å; Q249-V273 WeakPolarHBondContact O-CA 3.44Å; Q249-I274 PolarHBondContact O-N 3.5Å; Q249-V276 HydrophobicContact CG-CG2 4.49Å
250T87.2Confident87.3Confident6 Ų628.7 Ų28.74%0.03715%0.153CC..SBendtrans-136.83.5-174.253.70000114.1R103 S248 K269 L270 V273R103-T250 HydrophobicContact CG-CG2 3.88Å; S248-T250 PolarHBondContact O-N 2.73Å; S248-T250 VanDerWaalsContact O-N 3.14Å; T250-K269 CarbonylContact O-C 3.46Å; T250-K269 WeakPolarHBondContact O-CA 3.46Å; T250-L270 PolarHBondContact O-N 2.74Å; T250-V273 HydrophobicContact CG2-CG2 4.17Å
251E90.3Very high86.7Confident41 Ų4127.8 Ų27.819%0.19215%0.146CC..EExtended strand (participates in β ladder)trans-135.8145.5-176.9-69.7-177.1-161.700111S106 A247 S248 M268 K269S106-E251 WeakPolarHBondContact CB-OE1 3.34Å; S106-E251 VanDerWaalsContact OG-CD 3.29Å; S106-E251 PolarHBondContact OG-OE1 2.75Å; A247-E251 CarbonylContact C-O 3.59Å; A247-E251 WeakPolarHBondContact CA-O 3.19Å; S248-E251 PolarHBondContact N-O 3.4Å; E251-M268 WeakPolarHBondContact CA-O 3.31Å; E251-K269 HydrophobicContact CG-CG 4.28Å
252L92.4Very high86.7Confident0 Ų032.7 Ų32.70%016%0.156CC..EExtended strand (participates in β ladder)trans-131.1131.4177.1-175.472.5000109.7L231 V245 A247 V254 Q267 M268 L270 I290 L292L231-L252 HydrophobicContact CD2-CD2 3.88Å; V245-L252 HydrophobicContact CG1-CD1 3.65Å; A247-L252 HydrophobicContact CB-CD1 3.94Å; L252-V254 HydrophobicContact CD1-CG2 4.47Å; L252-V254 HydrophobicContact CD2-CG2 3.74Å; L252-V254 HydrophobicContact CG-CG2 3.77Å; L252-Q267 WeakPolarHBondContact O-CA 3.22Å; L252-M268 HydrophobicContact CB-CG 3.83Å; L252-M268 HydrophobicContact CD2-CG 4.21Å; L252-M268 HydrophobicContact CD2-SD 3.93Å; L252-M268 PolarHBondContact N-O 3.48Å; L252-M268 PolarHBondContact O-N 3.49Å; L252-L270 HydrophobicContact CB-CD1 4.49Å; L252-L270 HydrophobicContact CB-CD2 4.14Å; L252-L270 HydrophobicContact CB-CG 4.36Å; L252-I290 HydrophobicContact CD1-CG2 4.35Å; L252-L292 HydrophobicContact CD1-CD1 4.43Å; L252-L292 HydrophobicContact CD1-CD2 4.15Å; L252-L292 HydrophobicContact CD2-CD1 4.13Å
253Q91.6Very high87.1Confident46 Ų4630.2 Ų30.222%0.21515%0.147CC..EExtended strand (participates in β ladder)trans-121.3122.6171.5-65174.712.800108.6W244 V245 K246 A266 Q267W244-Q253 HydrophobicContact CZ3-CB 4.02Å; V245-Q253 CarbonylContact C-O 3.57Å; V245-Q253 WeakPolarHBondContact CA-O 3.34Å; K246-Q253 HydrophobicContact CB-CB 4.29Å; K246-Q253 PolarHBondContact N-O 2.83Å; K246-Q253 PolarHBondContact O-N 2.82Å; Q253-A266 WeakPolarHBondContact CA-O 3.42Å; Q253-Q267 HydrophobicContact CG-CB 4.43Å; Q253-Q267 HydrophobicContact CG-CG 3.9Å
254V92.8Very high87.3Confident1 Ų130.5 Ų30.51%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-118.7130.6-175-175.60000108.6L231 V245 L252 V256 F264 Q265 A266 I290L231-V254 HydrophobicContact CD2-CG2 4.44Å; V245-V254 HydrophobicContact CG1-CG2 4.29Å; V245-V254 HydrophobicContact CG2-CG1 4.29Å; L252-V254 HydrophobicContact CD1-CG2 4.47Å; L252-V254 HydrophobicContact CD2-CG2 3.74Å; L252-V254 HydrophobicContact CG-CG2 3.77Å; V254-V256 HydrophobicContact CG1-CG2 3.81Å; V254-F264 HydrophobicContact CB-CE1 4.39Å; V254-F264 HydrophobicContact CG1-CD1 3.99Å; V254-F264 HydrophobicContact CG1-CE1 3.98Å; V254-Q265 WeakPolarHBondContact O-CA 3.16Å; V254-A266 HydrophobicContact CB-CB 4.43Å; V254-A266 PolarHBondContact N-O 2.96Å; V254-A266 PolarHBondContact O-N 2.75Å; V254-I290 HydrophobicContact CB-CD1 4.33Å; V254-I290 HydrophobicContact CG1-CD1 3.69Å; V254-I290 HydrophobicContact CG2-CD1 3.65Å
255H91Very high87.4Confident29 Ų2933.9 Ų33.913%0.13417%0.167CC..EExtended strand (participates in β ladder)trans-136.6111.8169.5-178.2-86.5000109.2F242 N243 W244 V257 F264F242-H255 PolarHBondContact O-ND1 2.83Å; F242-H255 VanDerWaalsContact O-ND1 3.17Å; N243-H255 WeakPolarHBondContact CA-O 3.35Å; W244-H255 AromaticContact CD1-ND1 3.7Å; W244-H255 HydrophobicContact CD2-CB 3.57Å; W244-H255 AromaticContact CE2-CG 3.54Å; W244-H255 AromaticContact CE2-ND1 3.99Å; W244-H255 HydrophobicContact CE3-CB 4.02Å; W244-H255 HydrophobicContact CG-CB 4.1Å; W244-H255 HydrophobicContact CH2-CB 3.83Å; W244-H255 HydrophobicContact CZ2-CB 3.35Å; W244-H255 AromaticContact CZ2-CG 3.75Å; W244-H255 HydrophobicContact CZ3-CB 4.14Å; W244-H255 PolarHBondContact N-O 3.44Å; W244-H255 AromaticContact NE1-CE1 3.99Å; W244-H255 AromaticContact NE1-CG 3.34Å; W244-H255 VanDerWaalsContact NE1-CG 3.34Å; W244-H255 AromaticContact NE1-ND1 3.3Å; W244-H255 PolarHBondContact NE1-ND1 3.29Å; W244-H255 PolarHBondContact O-N 2.91Å; H255-V257 VanDerWaalsContact CE1-CG2 3.43Å; H255-V257 WeakPolarHBondContact CE1-CG2 3.5Å; H255-F264 WeakPolarHBondContact CA-O 3.45Å
256V90Very high87.3Confident1 Ų134.9 Ų34.91%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-126.2124.4-179-1770000108.5P238 V254 F258 V263 F264 V288P238-V256 HydrophobicContact CB-CG1 4.23Å; V254-V256 HydrophobicContact CG1-CG2 3.81Å; V256-F258 HydrophobicContact CB-CE2 4.15Å; V256-F258 HydrophobicContact CB-CZ 4.31Å; V256-F258 HydrophobicContact CG1-CD1 4.32Å; V256-F258 HydrophobicContact CG1-CD2 4.13Å; V256-F258 HydrophobicContact CG1-CE1 3.82Å; V256-F258 HydrophobicContact CG1-CE2 3.61Å; V256-F258 HydrophobicContact CG1-CG 4.47Å; V256-F258 HydrophobicContact CG1-CZ 3.44Å; V256-F258 VanDerWaalsContact CG1-CZ 3.44Å; V256-V263 WeakPolarHBondContact O-CA 3.36Å; V256-F264 HydrophobicContact CB-CB 4.42Å; V256-F264 PolarHBondContact N-O 2.87Å; V256-F264 PolarHBondContact O-N 2.9Å; V256-V288 HydrophobicContact CG1-CG2 3.76Å; V256-V288 HydrophobicContact CG2-CG1 4.26Å
257V87.8Confident87.2Confident2 Ų236.9 Ų36.91%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-103.4121.5172.4-1730000107.7P238 L239 F242 N243 H255 V263P238-V257 WeakPolarHBondContact CA-O 3.44Å; L239-V257 HydrophobicContact CD1-CG1 4.2Å; L239-V257 PolarHBondContact N-O 2.86Å; F242-V257 HydrophobicContact CB-CB 3.88Å; F242-V257 HydrophobicContact CB-CG1 4.46Å; F242-V257 HydrophobicContact CB-CG2 3.67Å; N243-V257 PolarHBondContact OD1-N 2.73Å; N243-V257 PolarHBondContact OD1-O 2.58Å; H255-V257 VanDerWaalsContact CE1-CG2 3.43Å; H255-V257 WeakPolarHBondContact CE1-CG2 3.5Å; V257-V263 HydrophobicContact CG1-CG2 4.22Å; V257-V263 HydrophobicContact CG2-CG2 4.02Å
258F88.8Confident87.1Confident4 Ų437.1 Ų37.12%0.01819%0.186CC..EExtended strand (participates in β ladder)trans-98.6168.2173.6-63.7-77.3000110.4V233 G235 Q236 P238 V256 N261 R262 F264 V288V233-F258 HydrophobicContact CG1-CE2 4.08Å; V233-F258 HydrophobicContact CG1-CZ 3.91Å; G235-F258 VanDerWaalsContact C-CE1 3.45Å; G235-F258 WeakPolarHBondContact O-CE1 3.2Å; Q236-F258 WeakPolarHBondContact O-CB 3.4Å; P238-F258 HydrophobicContact CB-CD1 3.93Å; P238-F258 HydrophobicContact CB-CE1 3.95Å; P238-F258 HydrophobicContact CG-CE1 4.44Å; V256-F258 HydrophobicContact CB-CE2 4.15Å; V256-F258 HydrophobicContact CB-CZ 4.31Å; V256-F258 HydrophobicContact CG1-CD1 4.32Å; V256-F258 HydrophobicContact CG1-CD2 4.13Å; V256-F258 HydrophobicContact CG1-CE1 3.82Å; V256-F258 HydrophobicContact CG1-CE2 3.61Å; V256-F258 HydrophobicContact CG1-CG 4.47Å; V256-F258 HydrophobicContact CG1-CZ 3.44Å; V256-F258 VanDerWaalsContact CG1-CZ 3.44Å; F258-N261 PolarHBondContact O-N 3.21Å; F258-R262 HydrophobicContact CB-CB 4.27Å; F258-R262 PolarHBondContact N-O 3.38Å; F258-F264 HydrophobicContact CE2-CB 4.15Å; F258-V288 HydrophobicContact CE1-CG2 4.13Å; F258-V288 HydrophobicContact CZ-CG2 4.34Å
259D82.6Confident87.1Confident52 Ų5240 Ų4028%0.27820%0.198SC..THydrogen-bonded Turntrans-58.3148.9173.3-170.145.4000112.6K128 Q236 I237K128-D259 WeakPolarHBondContact CE-OD1 3.33Å; K128-D259 WeakPolarHBondContact CE-OD2 3.47Å; K128-D259 VanDerWaalsContact NZ-CG 3.32Å; K128-D259 IonicContact NZ-OD1 2.79Å; K128-D259 PolarHBondContact NZ-OD1 3.42Å; K128-D259 IonicContact NZ-OD2 3.15Å; K128-D259 PolarHBondContact NZ-OD2 2.95Å; Q236-D259 PolarHBondContact O-N 3.18Å; I237-D259 HydrophobicContact CB-CB 3.95Å; I237-D259 HydrophobicContact CG2-CB 4.42Å; I237-D259 PolarHBondContact O-N 3.14Å; I237-D259 VanDerWaalsContact O-N 3.12Å
260G74.7Confident87.3Confident41 Ų4136 Ų3642%0.42318%0.179SC..THydrogen-bonded Turntrans72.426.4-171.900000114.1R262G260-R262 PolarHBondContact O-N 2.97Å
261N70.6Confident87.3Confident15 Ų1539.6 Ų39.68%0.0819%0.192CC..THydrogen-bonded Turntrans58.529.8174.9-61.844.3000113.4D209 A211 H213 L214 F258D209-N261 PolarHBondContact OD1-ND2 3.13Å; D209-N261 PolarHBondContact OD2-ND2 3.28Å; A211-N261 HydrophobicContact CB-CB 4.11Å; A211-N261 WeakPolarHBondContact CB-ND2 3.32Å; A211-N261 PolarHBondContact O-ND2 3.14Å; H213-N261 WeakPolarHBondContact CA-O 3.26Å; L214-N261 PolarHBondContact N-O 3.05Å; F258-N261 PolarHBondContact O-N 3.21Å
262R79.9Confident87.1Confident140 Ų14038.3 Ų38.353%0.52819%0.19SC..EExtended strand (participates in β ladder)trans-84.9120.9177.1-60.3-177.8100.4-151.96.3109.3A216 F258 G260A216-R262 HydrophobicContact CB-CB 3.81Å; A216-R262 HydrophobicContact CB-CG 4.44Å; F258-R262 HydrophobicContact CB-CB 4.27Å; F258-R262 PolarHBondContact N-O 3.38Å; G260-R262 PolarHBondContact O-N 2.97Å
263V87.1Confident86.9Confident14 Ų1439.7 Ų39.79%0.08520%0.198CC..EExtended strand (participates in β ladder)trans-113.3126.9-176.2-177.60000111.5H213 L214 A216 V256 V257H213-V263 HydrophobicContact CB-CG2 3.56Å; L214-V263 PolarHBondContact O-N 3.44Å; A216-V263 PolarHBondContact N-O 3Å; V256-V263 WeakPolarHBondContact O-CA 3.36Å; V257-V263 HydrophobicContact CG1-CG2 4.22Å; V257-V263 HydrophobicContact CG2-CG2 4.02Å
264F88.6Confident86.8Confident15 Ų1537.6 Ų37.67%0.06619%0.189CC..EExtended strand (participates in β ladder)trans-102.1120167.2180-103.1000109.7C218 H220 V233 V254 H255 V256 F258 A266C218-F264 HydrophobicContact CB-CB 4.16Å; C218-F264 HydrophobicContact CB-CD2 3.61Å; C218-F264 HydrophobicContact CB-CE2 4.3Å; C218-F264 HydrophobicContact CB-CG 4.12Å; H220-F264 HydrophobicContact CB-CZ 4.42Å; H220-F264 AromaticContact ND1-CE2 3.86Å; H220-F264 AromaticContact ND1-CZ 3.98Å; V233-F264 HydrophobicContact CB-CD1 4.44Å; V233-F264 HydrophobicContact CB-CE1 4.47Å; V233-F264 HydrophobicContact CG1-CB 4.22Å; V233-F264 HydrophobicContact CG1-CD1 3.64Å; V233-F264 HydrophobicContact CG1-CD2 4.23Å; V233-F264 HydrophobicContact CG1-CE1 3.97Å; V233-F264 HydrophobicContact CG1-CE2 4.5Å; V233-F264 HydrophobicContact CG1-CG 3.76Å; V233-F264 HydrophobicContact CG1-CZ 4.37Å; V233-F264 HydrophobicContact CG2-CD1 3.95Å; V233-F264 HydrophobicContact CG2-CE1 3.61Å; V233-F264 HydrophobicContact CG2-CZ 4.23Å; V254-F264 HydrophobicContact CB-CE1 4.39Å; V254-F264 HydrophobicContact CG1-CD1 3.99Å; V254-F264 HydrophobicContact CG1-CE1 3.98Å; H255-F264 WeakPolarHBondContact CA-O 3.45Å; V256-F264 HydrophobicContact CB-CB 4.42Å; V256-F264 PolarHBondContact N-O 2.87Å; V256-F264 PolarHBondContact O-N 2.9Å; F258-F264 HydrophobicContact CE2-CB 4.15Å; F264-A266 HydrophobicContact CE1-CB 3.78Å; F264-A266 HydrophobicContact CZ-CB 3.74Å
265Q89.8Confident86.6Confident145 Ų14540.2 Ų40.268%0.67820%0.203SC*.EExtended strand (participates in β ladder)trans-127.4125.4175.5-172.5176-3.700109.8V254V254-Q265 WeakPolarHBondContact O-CA 3.16Å
266A88.8Confident86.5Confident21 Ų2139.6 Ų39.617%0.17420%0.201CC..EExtended strand (participates in β ladder)trans-141.1141.4179.300000111.3Q253 V254 F264 M268Q253-A266 WeakPolarHBondContact CA-O 3.42Å; V254-A266 HydrophobicContact CB-CB 4.43Å; V254-A266 PolarHBondContact N-O 2.96Å; V254-A266 PolarHBondContact O-N 2.75Å; F264-A266 HydrophobicContact CE1-CB 3.78Å; F264-A266 HydrophobicContact CZ-CB 3.74Å; A266-M268 HydrophobicContact CB-CE 4.25Å
267Q89.9Confident86.4Confident111 Ų11146.6 Ų46.652%0.51923%0.234SC..EExtended strand (participates in β ladder)trans-126.6132.2168.2-176.4171.48.300109.1L252 Q253 K312L252-Q267 WeakPolarHBondContact O-CA 3.22Å; Q253-Q267 HydrophobicContact CG-CB 4.43Å; Q253-Q267 HydrophobicContact CG-CG 3.9Å; Q267-K312 WeakPolarHBondContact O-CE 3.33Å; Q267-K312 PolarHBondContact O-NZ 2.82Å
268M88.8Confident86.4Confident5 Ų552.5 Ų52.53%0.02526%0.261CS..EExtended strand (participates in β ladder)trans-145143-177.259.5-173.772.100111.6L231 E251 L252 A266 L270 L303 E304L231-M268 HydrophobicContact CD2-CE 3.92Å; L231-M268 HydrophobicContact CD2-SD 4.22Å; E251-M268 WeakPolarHBondContact CA-O 3.31Å; L252-M268 HydrophobicContact CB-CG 3.83Å; L252-M268 HydrophobicContact CD2-CG 4.21Å; L252-M268 HydrophobicContact CD2-SD 3.93Å; L252-M268 PolarHBondContact N-O 3.48Å; L252-M268 PolarHBondContact O-N 3.49Å; A266-M268 HydrophobicContact CB-CE 4.25Å; M268-L270 HydrophobicContact CG-CD2 4.39Å; M268-L270 HydrophobicContact SD-CD2 4.46Å; M268-L303 HydrophobicContact CE-CD2 4.47Å; M268-L303 HydrophobicContact SD-CD2 3.7Å; M268-L303 HydrophobicContact SD-CG 4.1Å; M268-E304 VanDerWaalsContact CB-CD 3.44Å; M268-E304 HydrophobicContact CB-CG 3.81Å; M268-E304 WeakPolarHBondContact CB-OE1 3.35Å
269K90.3Very high86.6Confident68 Ų6852.4 Ų52.430%0.29626%0.261SS..EExtended strand (participates in β ladder)trans-91.5118.3169-59.2175178167.80107.6T250 E251 E304 H305 E311T250-K269 CarbonylContact O-C 3.46Å; T250-K269 WeakPolarHBondContact O-CA 3.46Å; E251-K269 HydrophobicContact CG-CG 4.28Å; K269-E304 CarbonylContact O-C 3.45Å; K269-E304 VanDerWaalsContact O-CA 3.25Å; K269-E304 WeakPolarHBondContact O-CA 3.46Å; K269-H305 HydrophobicContact CB-CB 4.38Å; K269-H305 PolarHBondContact O-N 3.27Å; K269-E311 IonicContact NZ-OE1 2.8Å; K269-E311 IonicContact NZ-OE2 3.14Å; K269-E311 PolarHBondContact NZ-OE2 3.34Å
270L90.4Very high87.2Confident0 Ų051.3 Ų51.30%026%0.258CS..BIsolated β-bridgetrans-68.8150-174.8-60.8172.2000111.3R103 T250 L252 M268 I274 L292 W300 L303R103-L270 PolarHBondContact NH1-O 3.4Å; R103-L270 PolarHBondContact NH2-O 2.92Å; T250-L270 PolarHBondContact O-N 2.74Å; L252-L270 HydrophobicContact CB-CD1 4.49Å; L252-L270 HydrophobicContact CB-CD2 4.14Å; L252-L270 HydrophobicContact CB-CG 4.36Å; M268-L270 HydrophobicContact CG-CD2 4.39Å; M268-L270 HydrophobicContact SD-CD2 4.46Å; L270-I274 HydrophobicContact CD1-CD1 3.63Å; L270-I274 HydrophobicContact CD1-CG1 3.87Å; L270-I274 HydrophobicContact CD1-CG2 3.89Å; L270-L292 HydrophobicContact CD1-CD1 4.07Å; L270-L292 HydrophobicContact CD2-CD1 4.03Å; L270-W300 HydrophobicContact CB-CH2 3.98Å; L270-W300 HydrophobicContact CB-CZ3 4Å; L270-W300 HydrophobicContact CD2-CZ3 4.31Å; L270-L303 CarbonylContact C-O 3.51Å; L270-L303 WeakPolarHBondContact CA-O 3.26Å; L270-L303 HydrophobicContact CD2-CD1 4.31Å
271W87.1Confident88.1Confident80 Ų8049.4 Ų49.430%0.30324%0.237SC..SBendtrans-63.5-50.5176.5178.8-120.3000111.8R103 W300 Q302 L303 H305 P306R103-W271 PolarHBondContact NH1-O 3.15Å; W271-W300 HydrophobicContact CB-CD2 4.19Å; W271-W300 HydrophobicContact CB-CE3 3.89Å; W271-W300 HydrophobicContact CB-CZ3 4.44Å; W271-W300 AromaticContact CD1-CG 3.8Å; W271-Q302 WeakPolarHBondContact CB-O 3.45Å; W271-L303 PolarHBondContact N-O 2.82Å; W271-H305 AromaticContact CE3-CD2 3.51Å; W271-H305 AromaticContact CZ3-CD2 3.54Å; W271-H305 AromaticContact CZ3-NE2 3.72Å; W271-P306 HydrophobicContact CZ3-CG 3.89Å
272G85.7Confident89.2Confident15 Ų1550.1 Ų50.116%0.15524%0.244CC..SBendtrans-104.9-173.4178.300000114.3
273V87.9Confident89.8Confident28 Ų2843.4 Ų43.417%0.1722%0.218CC..  trans-95137.3175.9-176.70000109.6Q249 T250 A295Q249-V273 HydrophobicContact CB-CG1 4.11Å; Q249-V273 CarbonylContact O-C 2.93Å; Q249-V273 VanDerWaalsContact O-CA 3.3Å; Q249-V273 WeakPolarHBondContact O-CA 3.44Å; T250-V273 HydrophobicContact CG2-CG2 4.17Å; V273-A295 HydrophobicContact CB-CB 4.08Å; V273-A295 HydrophobicContact CG1-CB 3.83Å; V273-A295 WeakPolarHBondContact O-CB 3.38Å; V273-A295 PolarHBondContact O-N 3.1Å
274I90.6Very high90.1Very high2 Ų244.2 Ų44.21%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-115.8151.2179.162.3162.4000112.5A247 S248 Q249 L270 V276 L292 V293 W300A247-I274 HydrophobicContact CB-CD1 4.08Å; S248-I274 WeakPolarHBondContact O-CD1 3.41Å; S248-I274 WeakPolarHBondContact O-CG1 3.39Å; Q249-I274 PolarHBondContact O-N 3.5Å; L270-I274 HydrophobicContact CD1-CD1 3.63Å; L270-I274 HydrophobicContact CD1-CG1 3.87Å; L270-I274 HydrophobicContact CD1-CG2 3.89Å; I274-V276 HydrophobicContact CD1-CG2 4.44Å; I274-V276 HydrophobicContact CG1-CG2 4.38Å; I274-V276 PolarHBondContact O-N 3.27Å; I274-L292 HydrophobicContact CD1-CB 4.32Å; I274-L292 HydrophobicContact CD1-CD1 4.34Å; I274-L292 HydrophobicContact CD1-CD2 3.89Å; I274-L292 HydrophobicContact CD1-CG 4.41Å; I274-L292 HydrophobicContact CG2-CB 4.09Å; I274-V293 CarbonylContact C-O 3.49Å; I274-V293 WeakPolarHBondContact CA-O 3.37Å; I274-V293 VanDerWaalsContact CB-O 3.31Å; I274-V293 WeakPolarHBondContact CB-O 3.35Å; I274-W300 HydrophobicContact CG2-CH2 3.69Å; I274-W300 HydrophobicContact CG2-CZ2 4.01Å
275N88.6Confident90.2Very high56 Ų5645.4 Ų45.430%0.29923%0.231SC..EExtended strand (participates in β ladder)trans-86100.4166-171.3-16.3000109.9E277 Q278 S279 V293N275-E277 VanDerWaalsContact C-N 3.26Å; N275-E277 PolarHBondContact O-N 3.4Å; N275-E277 PolarHBondContact OD1-N 3.24Å; N275-E277 VanDerWaalsContact OD1-N 3.14Å; N275-Q278 PolarHBondContact ND2-OE1 3.37Å; N275-Q278 PolarHBondContact O-N 2.78Å; N275-S279 PolarHBondContact O-N 2.99Å; N275-S279 PolarHBondContact O-OG 3.15Å; N275-V293 HydrophobicContact CB-CB 4.41Å; N275-V293 HydrophobicContact CB-CG1 4.36Å; N275-V293 PolarHBondContact N-O 3.32Å
276V88.6Confident90.3Very high16 Ų1642 Ų4210%0.09722%0.223CC..EExtended strand (participates in β ladder)trans-61.7-32.1-177.3-176.60000112.6K111 L113 A247 S248 Q249 I274 Q278 S279K111-V276 HydrophobicContact CB-CG1 3.85Å; K111-V276 HydrophobicContact CD-CG1 4.16Å; K111-V276 HydrophobicContact CG-CG1 4.38Å; L113-V276 HydrophobicContact CD2-CG1 3.89Å; L113-V276 WeakPolarHBondContact CD2-O 3.37Å; A247-V276 HydrophobicContact CB-CG1 4.27Å; A247-V276 WeakPolarHBondContact O-CG1 3.29Å; S248-V276 VanDerWaalsContact C-CG2 3.49Å; Q249-V276 HydrophobicContact CG-CG2 4.49Å; I274-V276 HydrophobicContact CD1-CG2 4.44Å; I274-V276 HydrophobicContact CG1-CG2 4.38Å; I274-V276 PolarHBondContact O-N 3.27Å; V276-Q278 VanDerWaalsContact C-N 3.35Å; V276-Q278 PolarHBondContact O-N 3.28Å; V276-S279 PolarHBondContact O-N 3.32Å
277E87.6Confident90.5Very high148 Ų14845.2 Ų45.269%0.69223%0.231SC*.EExtended strand (participates in β ladder)trans-76.5-24.7-174.3-59-170.2164.600113.1K111 N275K111-E277 IonicContact NZ-OE1 3.04Å; K111-E277 PolarHBondContact NZ-OE1 2.91Å; N275-E277 VanDerWaalsContact C-N 3.26Å; N275-E277 PolarHBondContact O-N 3.4Å; N275-E277 PolarHBondContact OD1-N 3.24Å; N275-E277 VanDerWaalsContact OD1-N 3.14Å
278Q88.4Confident90.7Very high127 Ų12740 Ų4059%0.59321%0.206SC*.EExtended strand (participates in β ladder)trans-97.5-4.1177-62.5-177.8-45.300112.6N275 V276 V293N275-Q278 PolarHBondContact ND2-OE1 3.37Å; N275-Q278 PolarHBondContact O-N 2.78Å; V276-Q278 VanDerWaalsContact C-N 3.35Å; V276-Q278 PolarHBondContact O-N 3.28Å; Q278-V293 HydrophobicContact CB-CB 4.04Å; Q278-V293 HydrophobicContact CB-CG1 4.33Å; Q278-V293 HydrophobicContact CB-CG2 3.79Å; Q278-V293 WeakPolarHBondContact O-CG2 3.16Å
279S93.6Very high91.1Very high1 Ų141.5 Ų41.51%0.00721%0.213CC..EExtended strand (participates in β ladder)trans-84.4148.1178.2-60.40000110.6P114 N275 V276 S291 L292 V293P114-S279 WeakPolarHBondContact CD-O 3.36Å; N275-S279 PolarHBondContact O-N 2.99Å; N275-S279 PolarHBondContact O-OG 3.15Å; V276-S279 PolarHBondContact O-N 3.32Å; S279-S291 CarbonylContact C-O 3.55Å; S279-S291 WeakPolarHBondContact CA-O 3.16Å; S279-S291 WeakPolarHBondContact CB-O 3.32Å; S279-L292 WeakPolarHBondContact OG-CA 3.46Å; S279-V293 PolarHBondContact OG-N 3.35Å; S279-V293 VanDerWaalsContact OG-N 3.08Å
280S93.8Very high91.4Very high30 Ų3038.2 Ų38.221%0.2120%0.199CC..EExtended strand (participates in β ladder)trans-150.6165-177.358.60000112.3S291S280-S291 PolarHBondContact N-O 2.83Å; S280-S291 PolarHBondContact O-N 3.13Å
281V95Very high91.6Very high0 Ų039.4 Ų39.40%021%0.207CC..EExtended strand (participates in β ladder)trans-119.7125.2177.9-175.50000108.8L113 P114 L115 I116 V245 L283 V288 E289 I290L113-V281 HydrophobicContact CB-CG2 3.84Å; L113-V281 HydrophobicContact CD1-CG2 4.14Å; P114-V281 PolarHBondContact O-N 3.29Å; L115-V281 CarbonylContact C-O 3.5Å; L115-V281 HydrophobicContact CD2-CB 4.13Å; L115-V281 HydrophobicContact CD2-CG1 3.95Å; I116-V281 PolarHBondContact N-O 3.38Å; V245-V281 HydrophobicContact CB-CG2 3.65Å; V245-V281 HydrophobicContact CG1-CG2 4.16Å; V245-V281 HydrophobicContact CG2-CG1 4.16Å; V245-V281 HydrophobicContact CG2-CG2 3.62Å; V281-L283 HydrophobicContact CG1-CD2 4.16Å; V281-V288 HydrophobicContact CG1-CG1 3.66Å; V281-E289 CarbonylContact C-O 3.57Å; V281-E289 WeakPolarHBondContact CA-O 3.2Å; V281-I290 HydrophobicContact CG1-CG1 4.17Å; V281-I290 HydrophobicContact CG2-CG1 4.33Å; V281-I290 HydrophobicContact CG2-CG2 4.43Å
282S93.4Very high92Very high30 Ų3035.6 Ų35.621%0.2119%0.193CC..EExtended strand (participates in β ladder)trans-105.3123.2174.2-166.40000110.7I116 V288 E289I116-S282 CarbonylContact O-C 3.57Å; I116-S282 WeakPolarHBondContact O-CA 3.27Å; S282-V288 WeakPolarHBondContact O-CA 3.14Å; S282-E289 PolarHBondContact N-O 3.31Å; S282-E289 PolarHBondContact O-N 3.48Å
283L92.8Very high92.3Very high0 Ų036.3 Ų36.30%019%0.194CC..EExtended strand (participates in β ladder)trans-96.7121.4175.8-55.5-178000109.8L115 I116 I117 S118 L121 P238 P240 V281 V288L115-L283 HydrophobicContact CD2-CD1 4.01Å; L115-L283 HydrophobicContact CD2-CD2 4.08Å; L115-L283 HydrophobicContact CD2-CG 4.13Å; I116-L283 PolarHBondContact O-N 2.95Å; I117-L283 HydrophobicContact CG1-CD1 4.36Å; S118-L283 VanDerWaalsContact CB-O 3.29Å; S118-L283 WeakPolarHBondContact CB-O 3.5Å; S118-L283 PolarHBondContact N-O 2.76Å; S118-L283 PolarHBondContact OG-O 2.92Å; L121-L283 HydrophobicContact CD2-CB 3.38Å; L121-L283 HydrophobicContact CD2-CD1 4.49Å; P238-L283 HydrophobicContact CB-CD2 4.38Å; P238-L283 HydrophobicContact CG-CB 4.23Å; P238-L283 HydrophobicContact CG-CD2 4.5Å; P240-L283 HydrophobicContact CB-CD1 3.87Å; P240-L283 HydrophobicContact CG-CD1 4Å; V281-L283 HydrophobicContact CG1-CD2 4.16Å; L283-V288 HydrophobicContact CD2-CB 4.18Å; L283-V288 HydrophobicContact CD2-CG1 3.69Å; L283-V288 HydrophobicContact CD2-CG2 3.51Å
284M92.6Very high92.5Very high30 Ų3035.5 Ų35.515%0.14819%0.188CC..EExtended strand (participates in β ladder)trans-119.9162.4177.5-72.6169.7-85.200111.2S118 P238 S286 R287 E289S118-M284 WeakPolarHBondContact OG-CA 3.35Å; P238-M284 WeakPolarHBondContact CD-O 3.39Å; P238-M284 VanDerWaalsContact CG-O 3.23Å; P238-M284 WeakPolarHBondContact CG-O 3.45Å; M284-S286 PolarHBondContact O-N 2.98Å; M284-S286 VanDerWaalsContact O-N 3.14Å; M284-R287 CarbonylContact C-O 3.51Å; M284-R287 WeakPolarHBondContact CA-O 3.43Å; M284-R287 HydrophobicContact CB-CG 4.02Å; M284-R287 WeakPolarHBondContact CB-O 3.13Å; M284-R287 HydrophobicContact CE-CG 3.65Å; M284-R287 PolarHBondContact N-O 3.5Å; M284-R287 PolarHBondContact O-N 3.35Å; M284-R287 HydrophobicContact SD-CG 4.07Å; M284-R287 PolarHBondContact SD-NE 3.5Å; M284-R287 VanDerWaalsContact SD-NE 3.44Å; M284-E289 HydrophobicContact CE-CB 3.79Å; M284-E289 HydrophobicContact CE-CG 3.43Å; M284-E289 VanDerWaalsContact CE-CG 3.43Å; M284-E289 WeakPolarHBondContact CE-OE1 3.39Å; M284-E289 WeakPolarHBondContact CE-OE2 3.44Å
285P90.3Very high92.3Very high41 Ų4137.6 Ų37.627%0.26621%0.206SC..THydrogen-bonded Turntrans-55.2-31.6-178.6-27.334.2000115.3A120 L121 Q236 I237A120-P285 HydrophobicContact CB-CG 3.8Å; L121-P285 HydrophobicContact CB-CG 4.31Å; Q236-P285 WeakPolarHBondContact CA-O 3.46Å; I237-P285 PolarHBondContact N-O 3.05Å
286S91.6Very high91.9Very high73 Ų7336.7 Ų36.751%0.5120%0.201SC..THydrogen-bonded Turntrans-119.2-1.5-173.956.80000114.3G235 M284G235-S286 PolarHBondContact N-O 2.85Å; G235-S286 VanDerWaalsContact N-O 3.13Å; G235-S286 CarbonylContact O-C 3.48Å; G235-S286 WeakPolarHBondContact O-CA 3.36Å; M284-S286 PolarHBondContact O-N 2.98Å; M284-S286 VanDerWaalsContact O-N 3.14Å
287R93.3Very high91.5Very high89 Ų8939.1 Ų39.134%0.33622%0.217SC..EExtended strand (participates in β ladder)trans-163.6161.3-175.362.9-172.6-172.4-178.212.6112.7T232 V233 Y234 G235 M284 E289T232-R287 HydrophobicContact CG2-CB 3.96Å; T232-R287 HydrophobicContact CG2-CG 4.37Å; V233-R287 CarbonylContact O-C 3.55Å; V233-R287 VanDerWaalsContact O-CA 3.26Å; V233-R287 WeakPolarHBondContact O-CA 3.49Å; Y234-R287 HydrophobicContact CD1-CB 4.28Å; G235-R287 PolarHBondContact O-N 3.14Å; M284-R287 CarbonylContact C-O 3.51Å; M284-R287 WeakPolarHBondContact CA-O 3.43Å; M284-R287 HydrophobicContact CB-CG 4.02Å; M284-R287 WeakPolarHBondContact CB-O 3.13Å; M284-R287 HydrophobicContact CE-CG 3.65Å; M284-R287 PolarHBondContact N-O 3.5Å; M284-R287 PolarHBondContact O-N 3.35Å; M284-R287 HydrophobicContact SD-CG 4.07Å; M284-R287 PolarHBondContact SD-NE 3.5Å; M284-R287 VanDerWaalsContact SD-NE 3.44Å; R287-E289 IonicContact CZ-OE1 2.68Å; R287-E289 IonicContact NE-OE1 2.9Å; R287-E289 PolarHBondContact NE-OE1 2.83Å; R287-E289 IonicContact NH1-OE1 3.06Å; R287-E289 IonicContact NH2-OE1 3.75Å; R287-E289 PolarHBondContact NH2-OE1 3.49Å
288V95.2Very high91.1Very high0 Ų033.5 Ų33.50%020%0.199CC..EExtended strand (participates in β ladder)trans-119.2122.7169.5174.10000108.4T232 V233 P238 V256 F258 V281 S282 L283 I290T232-V288 CarbonylContact C-O 3.52Å; T232-V288 WeakPolarHBondContact CA-O 3.48Å; V233-V288 HydrophobicContact CB-CB 4.47Å; V233-V288 PolarHBondContact N-O 3.07Å; V233-V288 PolarHBondContact O-N 3.07Å; P238-V288 HydrophobicContact CB-CG2 3.69Å; P238-V288 HydrophobicContact CG-CG2 3.79Å; V256-V288 HydrophobicContact CG1-CG2 3.76Å; V256-V288 HydrophobicContact CG2-CG1 4.26Å; F258-V288 HydrophobicContact CE1-CG2 4.13Å; F258-V288 HydrophobicContact CZ-CG2 4.34Å; V281-V288 HydrophobicContact CG1-CG1 3.66Å; S282-V288 WeakPolarHBondContact O-CA 3.14Å; L283-V288 HydrophobicContact CD2-CB 4.18Å; L283-V288 HydrophobicContact CD2-CG1 3.69Å; L283-V288 HydrophobicContact CD2-CG2 3.51Å; V288-I290 HydrophobicContact CG1-CG1 4.33Å
289E96.2Very high90.9Very high37 Ų3732.1 Ų32.117%0.17320%0.204CC..EExtended strand (participates in β ladder)trans-104123.5176.4-81.3174.1-165.500110.1V230 L231 T232 V281 S282 M284 R287V230-E289 HydrophobicContact CG1-CB 4.24Å; V230-E289 HydrophobicContact CG1-CG 4.16Å; L231-E289 CarbonylContact O-C 3.51Å; T232-E289 HydrophobicContact CG2-CG 4.26Å; V281-E289 CarbonylContact C-O 3.57Å; V281-E289 WeakPolarHBondContact CA-O 3.2Å; S282-E289 PolarHBondContact N-O 3.31Å; S282-E289 PolarHBondContact O-N 3.48Å; M284-E289 HydrophobicContact CE-CB 3.79Å; M284-E289 HydrophobicContact CE-CG 3.43Å; M284-E289 VanDerWaalsContact CE-CG 3.43Å; M284-E289 WeakPolarHBondContact CE-OE1 3.39Å; M284-E289 WeakPolarHBondContact CE-OE2 3.44Å; R287-E289 IonicContact CZ-OE1 2.68Å; R287-E289 IonicContact NE-OE1 2.9Å; R287-E289 PolarHBondContact NE-OE1 2.83Å; R287-E289 IonicContact NH1-OE1 3.06Å; R287-E289 IonicContact NH2-OE1 3.75Å; R287-E289 PolarHBondContact NH2-OE1 3.49Å
290I96.3Very high90.6Very high0 Ų032.9 Ų32.90%021%0.206CC..EExtended strand (participates in β ladder)trans-106.6104.9176.5-57.7166000106.8L113 V230 L231 V245 L252 V254 V281 V288 L292L113-I290 HydrophobicContact CD1-CG2 4.29Å; V230-I290 WeakPolarHBondContact CA-O 3.37Å; L231-I290 HydrophobicContact CB-CB 4.26Å; L231-I290 HydrophobicContact CD2-CD1 4.06Å; L231-I290 HydrophobicContact CG-CD1 4.46Å; L231-I290 PolarHBondContact N-O 3.46Å; L231-I290 PolarHBondContact O-N 3.3Å; V245-I290 HydrophobicContact CG1-CD1 4.31Å; V245-I290 HydrophobicContact CG1-CG2 4.2Å; V245-I290 HydrophobicContact CG2-CD1 4.08Å; V245-I290 HydrophobicContact CG2-CG1 4.3Å; L252-I290 HydrophobicContact CD1-CG2 4.35Å; V254-I290 HydrophobicContact CB-CD1 4.33Å; V254-I290 HydrophobicContact CG1-CD1 3.69Å; V254-I290 HydrophobicContact CG2-CD1 3.65Å; V281-I290 HydrophobicContact CG1-CG1 4.17Å; V281-I290 HydrophobicContact CG2-CG1 4.33Å; V281-I290 HydrophobicContact CG2-CG2 4.43Å; V288-I290 HydrophobicContact CG1-CG1 4.33Å; I290-L292 HydrophobicContact CG2-CD2 3.75Å; I290-L292 HydrophobicContact CG2-CG 4.1Å
291S95.4Very high90.2Very high24 Ų2435.5 Ų35.517%0.16823%0.229CC..EExtended strand (participates in β ladder)trans-95108.7-177.4-72.40000109.9S279 S280S279-S291 CarbonylContact C-O 3.55Å; S279-S291 WeakPolarHBondContact CA-O 3.16Å; S279-S291 WeakPolarHBondContact CB-O 3.32Å; S280-S291 PolarHBondContact N-O 2.83Å; S280-S291 PolarHBondContact O-N 3.13Å
292L94.4Very high89.8Confident0 Ų039.9 Ų39.90%025%0.25CS..EExtended strand (participates in β ladder)trans-106.7117.1-178.7-53.6177.4000110.4L113 L228 V229 L252 L270 I274 S279 I290L113-L292 HydrophobicContact CD1-CD2 3.88Å; L228-L292 WeakPolarHBondContact CD1-O 3.4Å; V229-L292 HydrophobicContact CB-CB 4.36Å; V229-L292 PolarHBondContact N-O 2.96Å; V229-L292 PolarHBondContact O-N 3.27Å; L252-L292 HydrophobicContact CD1-CD1 4.43Å; L252-L292 HydrophobicContact CD1-CD2 4.15Å; L252-L292 HydrophobicContact CD2-CD1 4.13Å; L270-L292 HydrophobicContact CD1-CD1 4.07Å; L270-L292 HydrophobicContact CD2-CD1 4.03Å; I274-L292 HydrophobicContact CD1-CB 4.32Å; I274-L292 HydrophobicContact CD1-CD1 4.34Å; I274-L292 HydrophobicContact CD1-CD2 3.89Å; I274-L292 HydrophobicContact CD1-CG 4.41Å; I274-L292 HydrophobicContact CG2-CB 4.09Å; S279-L292 WeakPolarHBondContact OG-CA 3.46Å; I290-L292 HydrophobicContact CG2-CD2 3.75Å; I290-L292 HydrophobicContact CG2-CG 4.1Å
293V92.8Very high89.5Confident31 Ų3139.2 Ų39.219%0.18824%0.244CC..EExtended strand (participates in β ladder)trans-79.9125.6178.4177.90000109.3L228 I274 N275 Q278 S279L228-V293 HydrophobicContact CD1-CG2 3.84Å; I274-V293 CarbonylContact C-O 3.49Å; I274-V293 WeakPolarHBondContact CA-O 3.37Å; I274-V293 VanDerWaalsContact CB-O 3.31Å; I274-V293 WeakPolarHBondContact CB-O 3.35Å; N275-V293 HydrophobicContact CB-CB 4.41Å; N275-V293 HydrophobicContact CB-CG1 4.36Å; N275-V293 PolarHBondContact N-O 3.32Å; Q278-V293 HydrophobicContact CB-CB 4.04Å; Q278-V293 HydrophobicContact CB-CG1 4.33Å; Q278-V293 HydrophobicContact CB-CG2 3.79Å; Q278-V293 WeakPolarHBondContact O-CG2 3.16Å; S279-V293 PolarHBondContact OG-N 3.35Å; S279-V293 VanDerWaalsContact OG-N 3.08Å
294K91.5Very high89.3Confident10 Ų1040.6 Ų40.64%0.04325%0.251CS..EExtended strand (participates in β ladder)trans-69.7135.7176.6-61.4175178.9175.80109.5T225 S227 V229 D296 G298 W300T225-K294 PolarHBondContact O-NZ 3.48Å; S227-K294 WeakPolarHBondContact O-CB 3.46Å; S227-K294 PolarHBondContact O-N 2.88Å; V229-K294 HydrophobicContact CG2-CD 4.18Å; V229-K294 HydrophobicContact CG2-CG 3.96Å; K294-D296 VanDerWaalsContact C-N 3.33Å; K294-G298 WeakPolarHBondContact CD-O 3.47Å; K294-G298 PolarHBondContact NZ-O 3.1Å; K294-W300 HydrophobicContact CG-CZ2 4.14Å
295A86.6Confident88.7Confident46 Ų4640.7 Ų40.738%0.3825%0.25SS..SBendtrans-69-37.1174.100000111.4V273V273-A295 HydrophobicContact CB-CB 4.08Å; V273-A295 HydrophobicContact CG1-CB 3.83Å; V273-A295 WeakPolarHBondContact O-CB 3.38Å; V273-A295 PolarHBondContact O-N 3.1Å
296D81.5Confident87.9Confident38 Ų3841.5 Ų41.520%0.20326%0.256CS..SBendtrans-119125.5176.9-64.4-81.2000109.6L99 K294 G298L99-D296 HydrophobicContact CD1-CB 4.19Å; L99-D296 HydrophobicContact CD2-CB 3.87Å; L99-D296 WeakPolarHBondContact CD2-OD2 3.47Å; K294-D296 VanDerWaalsContact C-N 3.33Å; D296-G298 PolarHBondContact O-N 3.26Å
297P79.3Confident87Confident66 Ų6642.8 Ų42.843%0.42926%0.257SS..  trans-61.5132176.3-20.331.2000111D226D226-P297 WeakPolarHBondContact O-CA 3.28Å
298G79.8Confident85.9Confident31 Ų3138.8 Ų38.832%0.3224%0.243SC..SBendtrans161.8158.2-179.200000113.1D226 K294 D296D226-G298 PolarHBondContact O-N 3.2Å; K294-G298 WeakPolarHBondContact CD-O 3.47Å; K294-G298 PolarHBondContact NZ-O 3.1Å; D296-G298 PolarHBondContact O-N 3.26Å
299S83.9Confident84.4Confident98 Ų9842.4 Ų42.469%0.68526%0.261SS*.  trans-79.7134.5178.4-177.40000111.5Q224Q224-S299 PolarHBondContact NE2-OG 2.65Å
300W87.1Confident82.7Confident17 Ų1742.7 Ų42.76%0.06427%0.271CS..  trans-93.4127.8173.1-69.315.6000109.2W222 Q224 V229 L270 W271 I274 K294 Q302 L303W222-W300 HydrophobicContact CZ3-CB 4.47Å; Q224-W300 PolarHBondContact NE2-O 2.87Å; V229-W300 HydrophobicContact CG1-CZ3 4.48Å; V229-W300 HydrophobicContact CG2-CD2 3.89Å; V229-W300 HydrophobicContact CG2-CE3 3.82Å; V229-W300 HydrophobicContact CG2-CH2 4.07Å; V229-W300 HydrophobicContact CG2-CZ2 4.14Å; V229-W300 HydrophobicContact CG2-CZ3 3.92Å; L270-W300 HydrophobicContact CB-CH2 3.98Å; L270-W300 HydrophobicContact CB-CZ3 4Å; L270-W300 HydrophobicContact CD2-CZ3 4.31Å; W271-W300 HydrophobicContact CB-CD2 4.19Å; W271-W300 HydrophobicContact CB-CE3 3.89Å; W271-W300 HydrophobicContact CB-CZ3 4.44Å; W271-W300 AromaticContact CD1-CG 3.8Å; I274-W300 HydrophobicContact CG2-CH2 3.69Å; I274-W300 HydrophobicContact CG2-CZ2 4.01Å; K294-W300 HydrophobicContact CG-CZ2 4.14Å; W300-Q302 VanDerWaalsContact C-N 3.28Å; W300-Q302 PolarHBondContact O-N 3.39Å; W300-L303 HydrophobicContact CZ3-CD1 4.36Å
301A85Confident81.2Confident84 Ų8447.7 Ų47.769%0.69429%0.294SS*.SBendtrans-68.9-31.7177.500000112.1
302Q86.9Confident79.8Confident93 Ų9350.3 Ų50.344%0.43530%0.302SS..  trans-144.7161.5179.6-65.7-177.6-13.200109.6W271 W300W271-Q302 WeakPolarHBondContact CB-O 3.45Å; W300-Q302 VanDerWaalsContact C-N 3.28Å; W300-Q302 PolarHBondContact O-N 3.39Å
303L87.2Confident78.2Confident15 Ų1554 Ų548%0.07933%0.333CS..SBendtrans-74.6-43.6174.2-176.463.6000111.7W222 V229 L231 M268 L270 W271 W300W222-L303 HydrophobicContact CB-CD2 4Å; W222-L303 HydrophobicContact CD2-CB 3.75Å; W222-L303 HydrophobicContact CD2-CD1 4.29Å; W222-L303 HydrophobicContact CD2-CG 4.41Å; W222-L303 HydrophobicContact CE3-CB 4.2Å; W222-L303 HydrophobicContact CE3-CD1 4.16Å; W222-L303 HydrophobicContact CG-CB 4Å; W222-L303 HydrophobicContact CG-CD1 4.44Å; W222-L303 HydrophobicContact CG-CD2 3.97Å; W222-L303 HydrophobicContact CG-CG 4.37Å; W222-L303 HydrophobicContact CZ2-CB 4.28Å; V229-L303 HydrophobicContact CG1-CD1 3.61Å; L231-L303 HydrophobicContact CD1-CD2 4.09Å; M268-L303 HydrophobicContact CE-CD2 4.47Å; M268-L303 HydrophobicContact SD-CD2 3.7Å; M268-L303 HydrophobicContact SD-CG 4.1Å; L270-L303 CarbonylContact C-O 3.51Å; L270-L303 WeakPolarHBondContact CA-O 3.26Å; L270-L303 HydrophobicContact CD2-CD1 4.31Å; W271-L303 PolarHBondContact N-O 2.82Å; W300-L303 HydrophobicContact CZ3-CD1 4.36Å
304E87.9Confident76.5Confident30 Ų3063.3 Ų63.314%0.1437%0.365CS..BIsolated β-bridgetrans-98151-177.5-60.7-154.9-160.300112.7M268 K269 S308 L309 K312M268-E304 VanDerWaalsContact CB-CD 3.44Å; M268-E304 HydrophobicContact CB-CG 3.81Å; M268-E304 WeakPolarHBondContact CB-OE1 3.35Å; K269-E304 CarbonylContact O-C 3.45Å; K269-E304 VanDerWaalsContact O-CA 3.25Å; K269-E304 WeakPolarHBondContact O-CA 3.46Å; E304-S308 PolarHBondContact OE2-OG 2.78Å; E304-L309 HydrophobicContact CB-CD2 4.11Å; E304-L309 HydrophobicContact CB-CG 4.15Å; E304-K312 IonicContact OE1-NZ 2.93Å; E304-K312 PolarHBondContact OE1-NZ 3.49Å; E304-K312 IonicContact OE2-NZ 2.72Å; E304-K312 PolarHBondContact OE2-NZ 2.95Å
305H81.4Confident74.7Confident31 Ų3166.6 Ų66.614%0.14439%0.394CS..  trans-70.5138.7171.3-160.6-92000111.1K269 W271 D307 S308 L309K269-H305 HydrophobicContact CB-CB 4.38Å; K269-H305 PolarHBondContact O-N 3.27Å; W271-H305 AromaticContact CE3-CD2 3.51Å; W271-H305 AromaticContact CZ3-CD2 3.54Å; W271-H305 AromaticContact CZ3-NE2 3.72Å; H305-D307 IonicContact CE1-OD2 2.77Å; H305-D307 PolarHBondContact CE1-OD2 2.81Å; H305-D307 PolarHBondContact ND1-N 3.1Å; H305-D307 IonicContact ND1-OD2 3.93Å; H305-D307 PolarHBondContact ND1-OD2 2.81Å; H305-D307 VanDerWaalsContact ND1-OD2 3.14Å; H305-D307 PolarHBondContact O-N 3.21Å; H305-D307 VanDerWaalsContact O-N 3.11Å; H305-S308 WeakPolarHBondContact O-CA 3.31Å; H305-S308 WeakPolarHBondContact O-CB 3.38Å; H305-S308 PolarHBondContact O-N 2.84Å; H305-L309 PolarHBondContact O-N 3.41Å
306P72.9Confident72.7Confident58 Ų5867.4 Ų67.438%0.37741%0.407SS..Hα-helixtrans-53.1-35.4179.8-27.133.4000113.7W271 S308 L309 A310W271-P306 HydrophobicContact CZ3-CG 3.89Å; P306-S308 VanDerWaalsContact C-N 3.31Å; P306-S308 PolarHBondContact O-N 3.4Å; P306-L309 PolarHBondContact O-N 3.21Å; P306-A310 WeakPolarHBondContact O-CB 3.34Å; P306-A310 PolarHBondContact O-N 2.81Å
307D71.6Confident70.8Confident100 Ų10070.7 Ų70.754%0.53543%0.428SS..Hα-helixtrans-63.1-35.7176-61.8-30.9000112.6H305 A310 E311H305-D307 IonicContact CE1-OD2 2.77Å; H305-D307 PolarHBondContact CE1-OD2 2.81Å; H305-D307 PolarHBondContact ND1-N 3.1Å; H305-D307 IonicContact ND1-OD2 3.93Å; H305-D307 PolarHBondContact ND1-OD2 2.81Å; H305-D307 VanDerWaalsContact ND1-OD2 3.14Å; H305-D307 PolarHBondContact O-N 3.21Å; H305-D307 VanDerWaalsContact O-N 3.11Å; D307-A310 PolarHBondContact O-N 3.02Å; D307-E311 WeakPolarHBondContact O-CB 3.46Å; D307-E311 VanDerWaalsContact O-CG 3.31Å; D307-E311 WeakPolarHBondContact O-CG 3.05Å; D307-E311 PolarHBondContact O-N 3.39Å
308S70.1Confident68.8Low6 Ų674.3 Ų74.34%0.04244%0.443CS..Hα-helixtrans-64.9-43.7174.6-176.50000110.9E304 H305 P306 E311 K312E304-S308 PolarHBondContact OE2-OG 2.78Å; H305-S308 WeakPolarHBondContact O-CA 3.31Å; H305-S308 WeakPolarHBondContact O-CB 3.38Å; H305-S308 PolarHBondContact O-N 2.84Å; P306-S308 VanDerWaalsContact C-N 3.31Å; P306-S308 PolarHBondContact O-N 3.4Å; S308-E311 PolarHBondContact O-N 3.47Å; S308-K312 WeakPolarHBondContact O-CB 3.31Å; S308-K312 VanDerWaalsContact O-CG 3.3Å; S308-K312 WeakPolarHBondContact O-CG 3.46Å; S308-K312 PolarHBondContact O-N 3.31Å
309L64.6Low66.7Low75 Ų7579.4 Ų79.439%0.39346%0.462SS..Hα-helixtrans-66.5-40177.6-62.7175.8000111.2E304 H305 P306 K312 A313E304-L309 HydrophobicContact CB-CD2 4.11Å; E304-L309 HydrophobicContact CB-CG 4.15Å; H305-L309 PolarHBondContact O-N 3.41Å; P306-L309 PolarHBondContact O-N 3.21Å; L309-K312 PolarHBondContact O-N 2.96Å; L309-A313 VanDerWaalsContact O-CB 3.29Å; L309-A313 WeakPolarHBondContact O-CB 3.43Å; L309-A313 PolarHBondContact O-N 3.31Å
310A60.1Low64.3Low44 Ų4482.2 Ų82.236%0.36446%0.464SS..Hα-helixtrans-67.5-37.7175.800000112.5P306 D307 R314P306-A310 WeakPolarHBondContact O-CB 3.34Å; P306-A310 PolarHBondContact O-N 2.81Å; D307-A310 PolarHBondContact O-N 3.02Å; A310-R314 WeakPolarHBondContact O-CB 3.49Å; A310-R314 WeakPolarHBondContact O-CG 3.22Å; A310-R314 PolarHBondContact O-N 3.05Å
311E65.2Low61.8Low105 Ų10589.4 Ų89.449%0.49150%0.501SS..Hα-helixtrans-64.8-44.5172.4-78.2176.912800111.5K269 D307 S308 R314 A315K269-E311 IonicContact NZ-OE1 2.8Å; K269-E311 IonicContact NZ-OE2 3.14Å; K269-E311 PolarHBondContact NZ-OE2 3.34Å; D307-E311 WeakPolarHBondContact O-CB 3.46Å; D307-E311 VanDerWaalsContact O-CG 3.31Å; D307-E311 WeakPolarHBondContact O-CG 3.05Å; D307-E311 PolarHBondContact O-N 3.39Å; S308-E311 PolarHBondContact O-N 3.47Å; E311-R314 PolarHBondContact O-N 2.85Å; E311-A315 VanDerWaalsContact O-CB 3.25Å; E311-A315 WeakPolarHBondContact O-CB 3.49Å; E311-A315 PolarHBondContact O-N 3.41Å
312K65.9Low59.2Low78 Ų7892.6 Ų92.634%0.33951%0.506SS..Hα-helixtrans-63.9-40.6175.9-73.1173.31791790112.3Q267 E304 S308 L309 A315 G316Q267-K312 WeakPolarHBondContact O-CE 3.33Å; Q267-K312 PolarHBondContact O-NZ 2.82Å; E304-K312 IonicContact OE1-NZ 2.93Å; E304-K312 PolarHBondContact OE1-NZ 3.49Å; E304-K312 IonicContact OE2-NZ 2.72Å; E304-K312 PolarHBondContact OE2-NZ 2.95Å; S308-K312 WeakPolarHBondContact O-CB 3.31Å; S308-K312 VanDerWaalsContact O-CG 3.3Å; S308-K312 WeakPolarHBondContact O-CG 3.46Å; S308-K312 PolarHBondContact O-N 3.31Å; L309-K312 PolarHBondContact O-N 2.96Å; K312-A315 PolarHBondContact O-N 3.25Å; K312-G316 PolarHBondContact O-N 3.07Å
313A60.2Low56.7Low79 Ų7996.5 Ų96.565%0.65352%0.524SS*.Hα-helixtrans-66.1-39175.600000112.3L309 A315 G316L309-A313 VanDerWaalsContact O-CB 3.29Å; L309-A313 WeakPolarHBondContact O-CB 3.43Å; L309-A313 PolarHBondContact O-N 3.31Å; A313-A315 VanDerWaalsContact C-N 3.33Å; A313-G316 PolarHBondContact O-N 3Å
314R58.1Low54.2Low226 Ų226104.8 Ų104.885%0.85356%0.562SS**Hα-helixtrans-70.7-28.2173.9-73.4173.2178.6-167.41.2113A310 E311 G316A310-R314 WeakPolarHBondContact O-CB 3.49Å; A310-R314 WeakPolarHBondContact O-CG 3.22Å; A310-R314 PolarHBondContact O-N 3.05Å; E311-R314 PolarHBondContact O-N 2.85Å; R314-G316 VanDerWaalsContact C-N 3.29Å
315A53.1Low51.7Low79 Ų79111.4 Ų111.465%0.65359%0.593SS**THydrogen-bonded Turntrans-81.1-3.117800000114E311 K312 A313E311-A315 VanDerWaalsContact O-CB 3.25Å; E311-A315 WeakPolarHBondContact O-CB 3.49Å; E311-A315 PolarHBondContact O-N 3.41Å; K312-A315 PolarHBondContact O-N 3.25Å; A313-A315 VanDerWaalsContact C-N 3.33Å
316G44.6Very low49.4Very low63 Ų63115.6 Ų115.665%0.64963%0.626SS**THydrogen-bonded Turntrans69.645.717000000114.7K312 A313 R314 L318K312-G316 PolarHBondContact O-N 3.07Å; A313-G316 PolarHBondContact O-N 3Å; R314-G316 VanDerWaalsContact C-N 3.29Å; G316-L318 PolarHBondContact O-N 3.41Å
317V42.5Very low47.6Very low106 Ų106121 Ų12164%0.64265%0.646SS**  trans-9088.3160.4-175.30000107.4L319V317-L319 VanDerWaalsContact C-N 3.27Å; V317-L319 HydrophobicContact CG1-CG 4.28Å; V317-L319 PolarHBondContact O-N 2.93Å
318L36.3Very low45.9Very low143 Ų143120 Ų12075%0.74966%0.661SS**  trans-6692.3162.4-17280.1000106.4G316 E320G316-L318 PolarHBondContact O-N 3.41Å; L318-E320 VanDerWaalsContact C-N 3.31Å; L318-E320 HydrophobicContact CD2-CG 4.03Å; L318-E320 HydrophobicContact CG-CG 4.32Å; L318-E320 PolarHBondContact O-N 2.84Å
319L36.3Very low44.2Very low138 Ų138124.6 Ų124.672%0.72369%0.692SS**  trans-71.8104.1152.6-74.1175.1000104.3V317 M321V317-L319 VanDerWaalsContact C-N 3.27Å; V317-L319 HydrophobicContact CG1-CG 4.28Å; V317-L319 PolarHBondContact O-N 2.93Å; L319-M321 VanDerWaalsContact C-N 3.35Å; L319-M321 PolarHBondContact O-N 3.23Å
320E32.8Very low43.2Very low156 Ų156129 Ų12973%0.72972%0.716SS**  trans-48.7104.6166.3-67.8173.2143.100106.9L318 D322L318-E320 VanDerWaalsContact C-N 3.31Å; L318-E320 HydrophobicContact CD2-CG 4.03Å; L318-E320 HydrophobicContact CG-CG 4.32Å; L318-E320 PolarHBondContact O-N 2.84Å; E320-D322 PolarHBondContact O-N 3.27Å
321M34.4Very low42.2Very low169 Ų169134 Ų13483%0.83374%0.737SS**  trans-70108.2152.5-75.8166.856.200103.3L319 E323L319-M321 VanDerWaalsContact C-N 3.35Å; L319-M321 PolarHBondContact O-N 3.23Å; M321-E323 PolarHBondContact O-N 2.99Å
322D31.2Very low40.9Very low151 Ų151135.8 Ų135.881%0.80775%0.75SS**  trans-54.891.4158.9-80.5-85.8000107E320 E324E320-D322 PolarHBondContact O-N 3.27Å; D322-E324 VanDerWaalsContact C-N 3.3Å; D322-E324 PolarHBondContact O-N 3.49Å
323E34.6Very low39.5Very low175 Ų175138.5 Ų138.582%0.81877%0.767SS**  trans-64.2101.1148.6-84.5177.9129.200105M321 E325M321-E323 PolarHBondContact O-N 2.99Å; E323-E325 PolarHBondContact O-N 2.88Å
324E35.2Very low38.3Very low188 Ų188140 Ų14088%0.87977%0.773SS**  trans-61.594.6161.2-74.3-172.7166.900107.5D322 S326D322-E324 VanDerWaalsContact C-N 3.3Å; D322-E324 PolarHBondContact O-N 3.49Å; E324-S326 PolarHBondContact O-N 2.89Å; E324-S326 VanDerWaalsContact O-N 3.1Å
325E34Very low37.5Very low169 Ų169139.3 Ų139.379%0.7977%0.771SS**  trans-60100.4155.8-74.7-174.114100107.7E323 E327E323-E325 PolarHBondContact O-N 2.88Å; E325-E327 PolarHBondContact O-N 3.39Å
326S34.4Very low36.8Very low119 Ų119141.7 Ų141.783%0.83278%0.777SS**  trans-83.589.7155.373.90000107.8E324E324-S326 PolarHBondContact O-N 2.89Å; E324-S326 VanDerWaalsContact O-N 3.1Å
327E35.1Very low36.8Very low171 Ų171146.4 Ų146.480%0.79978%0.782SS**  trans-56.7141.2163-70-170143.300110E325E325-E327 PolarHBondContact O-N 3.39Å
328G35.8Very low36.8Very low81 Ų81149.9 Ų149.984%0.83579%0.791SS**  trans-66.5149.5-169.400000115.2
329S34.6Very low37Very low102 Ų102152.5 Ų152.571%0.71380%0.8SS**  trans-123.2106.2147.5-1660000106.5D331S329-D331 PolarHBondContact O-N 3.1Å
330D42.5Very low37.5Very low166 Ų166155.1 Ų155.189%0.88881%0.809SS**  trans-53.9114.9156.5-79-58.2000107.7
331D39.3Very low38.2Very low151 Ų151156.7 Ų156.781%0.80782%0.816SS**  trans-136.1122.1152.4-82.8-55.3000109.4S329S329-D331 PolarHBondContact O-N 3.1Å
332D38.9Very low38.6Very low141 Ų141157.9 Ų157.975%0.75482%0.819SS**  trans-77.4127.4-166.1-159.815.4000110.7
333L35.8Very low39.2Very low135 Ų135160.1 Ų160.171%0.70783%0.825SS**  trans38.8124.6144.8-57.3171.9000120.5
334S35.3Very low39.7Very low111 Ų111161 Ų16178%0.77683%0.829SS**  -166.1122.8107.366.70000112.7
335W41.2Very low40.3Very low212 Ų212161 Ų16180%0.80383%0.829SS**  trans-64.7132.7159.9-7574.2000110.8
336T38.2Very low41Very low128 Ų128162.5 Ų162.579%0.78584%0.836SS**  trans-141.7106.4146.741.70000108.1E338T336-E338 PolarHBondContact O-N 3.03Å
337E44.1Very low41.8Very low162 Ų162166.2 Ų166.276%0.75784%0.84SS**  trans-58.4117.5152-64.2164.5136.700106.9
338E42.9Very low42.6Very low179 Ų179162.1 Ų162.184%0.83684%0.835SS**  trans168.8114.8158.9-96.7160.7-155.300106.6T336T336-E338 PolarHBondContact O-N 3.03Å
339E40.7Very low43.3Very low199 Ų199167.5 Ų167.593%0.9384%0.841SS**  trans141.939.7165.2-75.6174-158.200111.7
340E46.4Very low43.7Very low193 Ų193166.4 Ų166.490%0.90285%0.846SS**  trans-10280.3143.8-82.6-173.616500106.4
341E46.6Very low43.7Very low189 Ų189171.5 Ų171.588%0.88386%0.864SS**  trans-173.344164.3-112.5173.7-15100113.9
342E44.2Very low43.9Very low194 Ų194172.5 Ų172.591%0.90787%0.867SS**SBendtrans-143.754.8167.1-76.6-165.3173.200112.5
343E43.5Very low44.1Very low197 Ų197174.2 Ų174.292%0.92187%0.873SS**SBendtrans-137.914.4163.8-80.6-163.5163.900114.7
344E45.4Very low44.6Very low194 Ų194176.3 Ų176.391%0.90788%0.882SS**SBendtrans-123.510.5178.8-100.8-171.4172.100117
345E46.5Very low45.1Very low188 Ų188180.2 Ų180.288%0.87989%0.888SS**SBendtrans-111.611.1176.2-93.3-165.9161.200116.5
346E49.4Very low45.4Very low200 Ų200178.2 Ų178.294%0.93589%0.894SS**SBendtrans-97.711.3173.5-108.3-163.8168.900115.8
347E52.1Low45.9Very low198 Ų198181.5 Ų181.593%0.92590%0.901SS**SBendtrans-117.520.5172.2-79.6-150.6154.300114.9
348A51Low46Very low84 Ų84182.9 Ų182.969%0.69491%0.911SS**SBendtrans-139.321.1-179.500000116.8
349M49.7Very low46.2Very low195 Ų195183.2 Ų183.296%0.96192%0.917SS**SBendtrans-153.682.7162.3-81-158.4-68.600111.7
350G44.1Very low46.7Very low78 Ų78181.9 Ų181.980%0.80492%0.916SS**  trans-162.292.4169.900000110.2
351E41.3Very low46.7Very low273 Ų273180.9 Ų180.9100%1.27692%0.917SS**  trans-51.60171.5-68.7175.5106.800114.5

Retrieved 351 of 351 residues in 197.6 ms (Link to these results)

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