A0A087XLX4_POEFO Loading...

Elongator complex protein 5

AlphaFold DB , UniProt , Accession A0A087XLX4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 249 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
1R95.9Very high95Very high85 Ų8553.6 Ų53.632%0.32130%0.298SS..  0141.1079.9176.4176160.6-3108.1L130 T132 L150 I151 S152 V153R1-L130 CarbonylContact C-O 3.59Å; R1-L130 WeakPolarHBondContact CA-O 3.33Å; R1-L130 HydrophobicContact CB-CB 4.32Å; R1-L130 WeakPolarHBondContact CB-O 3.18Å; R1-T132 HydrophobicContact CB-CG2 3.74Å; R1-T132 HydrophobicContact CG-CG2 3.87Å; R1-L150 HydrophobicContact CB-CD1 4.3Å; R1-L150 HydrophobicContact CG-CD1 4.12Å; R1-I151 PolarHBondContact N-O 3.28Å; R1-S152 PolarHBondContact NE-OG 2.79Å; R1-S152 PolarHBondContact NH2-OG 3.41Å; R1-S152 VanDerWaalsContact NH2-OG 3.13Å; R1-S152 WeakPolarHBondContact O-CA 3.32Å; R1-V153 PolarHBondContact O-N 2.81Å
2D97.2Very high95.1Very high4 Ų450.3 Ų50.32%0.02128%0.279CS..BIsolated β-bridgetrans-144.1-170.6-172.668.1-21.3000109.7Y6 G8 L129 L130 H131 T132 V153D2-Y6 WeakPolarHBondContact CB-O 3.34Å; D2-G8 PolarHBondContact OD2-N 2.58Å; D2-L129 HydrophobicContact CB-CD1 4.28Å; D2-L130 PolarHBondContact N-O 3.18Å; D2-L130 VanDerWaalsContact OD1-O 3.05Å; D2-H131 WeakPolarHBondContact OD1-CA 3.35Å; D2-H131 IonicContact OD1-CE1 3.79Å; D2-H131 IonicContact OD1-CG 3.53Å; D2-H131 PolarHBondContact OD1-N 3.45Å; D2-H131 IonicContact OD1-ND1 3.18Å; D2-H131 PolarHBondContact OD1-ND1 3.48Å; D2-H131 IonicContact OD2-CE1 2.99Å; D2-H131 PolarHBondContact OD2-CE1 3.08Å; D2-H131 IonicContact OD2-ND1 3.77Å; D2-H131 PolarHBondContact OD2-ND1 2.92Å; D2-T132 WeakPolarHBondContact O-CB 3.46Å; D2-T132 WeakPolarHBondContact O-CG2 3.46Å; D2-T132 PolarHBondContact O-N 2.89Å; D2-T132 PolarHBondContact O-OG1 3.37Å; D2-V153 HydrophobicContact CB-CG2 3.57Å
3S95.8Very high95.1Very high29 Ų2947.9 Ų47.920%0.20326%0.264CS..BIsolated β-bridgetrans-154.7170.8178.847.80000110.3S5 Y6S3-S5 PolarHBondContact O-N 2.94Å; S3-S5 PolarHBondContact OG-OG 3.15Å; S3-Y6 PolarHBondContact N-O 3.08Å; S3-Y6 CarbonylContact O-C 3.52Å; S3-Y6 PolarHBondContact O-N 2.74Å
4C94.3Very high95Very high120 Ų12045 Ų4581%0.81125%0.248SC*.THydrogen-bonded Turntrans-53.6-26.4174.4620000114.2D133C4-D133 WeakPolarHBondContact CB-OD2 3.14Å; C4-D133 PolarHBondContact N-OD2 3.48Å
5S93.4Very high95Very high74 Ų7447.3 Ų47.352%0.51726%0.255SS..THydrogen-bonded Turntrans-72.6-24.417756.50000114.2S3S3-S5 PolarHBondContact O-N 2.94Å; S3-S5 PolarHBondContact OG-OG 3.15Å
6Y95.2Very high95Very high47 Ų4744.4 Ų44.418%0.18424%0.239CC..BIsolated β-bridgetrans-160118.5177.7-172-84.1000110.4D2 S3 V153 P155 A162D2-Y6 WeakPolarHBondContact CB-O 3.34Å; S3-Y6 PolarHBondContact N-O 3.08Å; S3-Y6 CarbonylContact O-C 3.52Å; S3-Y6 PolarHBondContact O-N 2.74Å; Y6-V153 HydrophobicContact CD1-CB 3.72Å; Y6-V153 HydrophobicContact CD1-CG2 3.65Å; Y6-V153 HydrophobicContact CE1-CB 3.94Å; Y6-V153 HydrophobicContact CE1-CG2 4.13Å; Y6-P155 HydrophobicContact CD2-CB 4.09Å; Y6-A162 HydrophobicContact CD2-CB 4.44Å; Y6-A162 HydrophobicContact CE1-CB 3.99Å; Y6-A162 HydrophobicContact CE2-CB 3.56Å; Y6-A162 WeakPolarHBondContact OH-CB 3.37Å
7S94.6Very high94.8Very high52 Ų5242.5 Ų42.536%0.36423%0.23SC..  trans-75134.8-178.6177.90000112.2R9S7-R9 VanDerWaalsContact C-N 3.32Å; S7-R9 WeakPolarHBondContact OG-CB 3.36Å; S7-R9 WeakPolarHBondContact OG-CG 3.29Å; S7-R9 PolarHBondContact OG-N 3.27Å
8G95.3Very high94.7Very high4 Ų442.2 Ų42.24%0.04123%0.234CC..SBendtrans-86.52.5173.600000114.4D2 L11 L12D2-G8 PolarHBondContact OD2-N 2.58Å; G8-L11 PolarHBondContact O-N 3.35Å; G8-L12 PolarHBondContact O-N 2.9Å
9R94.1Very high94.5Very high77 Ų7740.3 Ų40.329%0.29123%0.225SC..Hα-helixtrans-63.8-45.5-174-68.3179.2-176.3-170.9-1.8112.8S7 L11 L12 K13 D32 V33 E37 L129S7-R9 VanDerWaalsContact C-N 3.32Å; S7-R9 WeakPolarHBondContact OG-CB 3.36Å; S7-R9 WeakPolarHBondContact OG-CG 3.29Å; S7-R9 PolarHBondContact OG-N 3.27Å; R9-L11 VanDerWaalsContact C-N 3.28Å; R9-L11 PolarHBondContact O-N 3.22Å; R9-L12 WeakPolarHBondContact O-CA 3.41Å; R9-L12 VanDerWaalsContact O-CB 3.29Å; R9-L12 WeakPolarHBondContact O-CB 3.15Å; R9-L12 PolarHBondContact O-N 3.28Å; R9-K13 PolarHBondContact O-N 3.47Å; R9-D32 IonicContact NH2-OD2 3.44Å; R9-V33 VanDerWaalsContact NH1-CG1 3.29Å; R9-E37 IonicContact NH1-OE1 3.45Å; R9-L129 HydrophobicContact CG-CD2 3.87Å
10D94.1Very high94.3Very high77 Ų7738.4 Ų38.441%0.41221%0.214SC..Hα-helixtrans-63.2-39.2179.6-64.2-17.4000111.1L12 K13 S14 I184D10-L12 VanDerWaalsContact C-N 3.32Å; D10-L12 PolarHBondContact O-N 2.72Å; D10-K13 WeakPolarHBondContact O-CB 3.47Å; D10-K13 PolarHBondContact O-N 3.26Å; D10-S14 PolarHBondContact O-N 3.21Å; D10-S14 PolarHBondContact O-OG 2.77Å; D10-S14 VanDerWaalsContact O-OG 3.12Å; D10-I184 HydrophobicContact CB-CD1 3.79Å; D10-I184 HydrophobicContact CB-CG2 4.42Å
11L95.6Very high94.1Very high21 Ų2141.2 Ų41.211%0.1123%0.229CC..Hα-helixtrans-65.9-36174.5-176.162000111.7G8 R9 S14 F15 I151 V153 F182 I184 V190G8-L11 PolarHBondContact O-N 3.35Å; R9-L11 VanDerWaalsContact C-N 3.28Å; R9-L11 PolarHBondContact O-N 3.22Å; L11-S14 WeakPolarHBondContact O-CB 3.32Å; L11-S14 PolarHBondContact O-N 2.88Å; L11-F15 HydrophobicContact CD1-CE2 4.19Å; L11-F15 HydrophobicContact CD2-CE2 4.42Å; L11-F15 HydrophobicContact CG-CD2 4.28Å; L11-F15 HydrophobicContact CG-CE2 3.97Å; L11-F15 WeakPolarHBondContact O-CD2 3.4Å; L11-F15 PolarHBondContact O-N 3.41Å; L11-I151 HydrophobicContact CD2-CG2 3.95Å; L11-V153 HydrophobicContact CD2-CG1 3.54Å; L11-F182 HydrophobicContact CD1-CE2 4.45Å; L11-F182 HydrophobicContact CD2-CZ 4.48Å; L11-I184 HydrophobicContact CB-CD1 3.92Å; L11-I184 HydrophobicContact CD1-CD1 4.34Å; L11-V190 HydrophobicContact CD1-CG2 4.11Å
12L95.8Very high93.9Very high13 Ų1345.8 Ų45.87%0.06825%0.246CC..Hα-helixtrans-64-44.5173.6-169.572.6000111.1G8 R9 D10 S14 F15 I16 V94 D96 I127 L129G8-L12 PolarHBondContact O-N 2.9Å; R9-L12 WeakPolarHBondContact O-CA 3.41Å; R9-L12 VanDerWaalsContact O-CB 3.29Å; R9-L12 WeakPolarHBondContact O-CB 3.15Å; R9-L12 PolarHBondContact O-N 3.28Å; D10-L12 VanDerWaalsContact C-N 3.32Å; D10-L12 PolarHBondContact O-N 2.72Å; L12-S14 VanDerWaalsContact C-N 3.3Å; L12-S14 PolarHBondContact O-N 2.68Å; L12-F15 WeakPolarHBondContact O-CB 3.47Å; L12-F15 PolarHBondContact O-N 2.62Å; L12-F15 VanDerWaalsContact O-N 3.1Å; L12-I16 WeakPolarHBondContact O-CG1 3.33Å; L12-I16 PolarHBondContact O-N 3.21Å; L12-V94 HydrophobicContact CD1-CG1 3.8Å; L12-V94 HydrophobicContact CD2-CG1 4.02Å; L12-V94 HydrophobicContact CG-CG1 3.99Å; L12-D96 HydrophobicContact CD2-CB 4.16Å; L12-I127 HydrophobicContact CD1-CG2 3.65Å; L12-L129 HydrophobicContact CD2-CB 4.25Å
13K94.5Very high93.4Very high20 Ų2052.4 Ų52.49%0.08728%0.277CS..Hα-helixtrans-59.2-41.7173.2-70.5-172.1173.9-169.30111.2R9 D10 F15 I16 T17 E37 L38 D40 F188R9-K13 PolarHBondContact O-N 3.47Å; D10-K13 WeakPolarHBondContact O-CB 3.47Å; D10-K13 PolarHBondContact O-N 3.26Å; K13-F15 VanDerWaalsContact C-N 3.31Å; K13-F15 PolarHBondContact O-N 3.23Å; K13-I16 WeakPolarHBondContact O-CB 3.48Å; K13-I16 PolarHBondContact O-N 2.87Å; K13-I16 VanDerWaalsContact O-N 3.11Å; K13-T17 PolarHBondContact O-N 3.04Å; K13-T17 PolarHBondContact O-OG1 2.84Å; K13-T17 VanDerWaalsContact O-OG1 3.1Å; K13-E37 WeakPolarHBondContact CE-O 3.22Å; K13-E37 PolarHBondContact NZ-O 2.87Å; K13-L38 HydrophobicContact CG-CD1 4.39Å; K13-D40 PolarHBondContact NZ-O 3.48Å; K13-D40 VanDerWaalsContact NZ-O 3.13Å; K13-F188 HydrophobicContact CB-CD1 3.77Å; K13-F188 HydrophobicContact CB-CD2 4.11Å; K13-F188 HydrophobicContact CB-CE1 3.97Å; K13-F188 HydrophobicContact CB-CE2 4.23Å; K13-F188 HydrophobicContact CB-CG 3.88Å; K13-F188 HydrophobicContact CB-CZ 4.21Å; K13-F188 HydrophobicContact CD-CD1 4.2Å; K13-F188 HydrophobicContact CD-CD2 4.46Å; K13-F188 HydrophobicContact CD-CE1 3.5Å; K13-F188 HydrophobicContact CD-CE2 3.77Å; K13-F188 HydrophobicContact CD-CZ 3.27Å; K13-F188 HydrophobicContact CG-CE1 4.39Å; K13-F188 HydrophobicContact CG-CZ 4.39Å
14S94.8Very high93.2Very high7 Ų752.7 Ų52.75%0.04928%0.275CS..Hα-helixtrans-57.4-40.5172.4-62.50000113.3D10 L11 L12 A18 F188 V190D10-S14 PolarHBondContact O-N 3.21Å; D10-S14 PolarHBondContact O-OG 2.77Å; D10-S14 VanDerWaalsContact O-OG 3.12Å; L11-S14 WeakPolarHBondContact O-CB 3.32Å; L11-S14 PolarHBondContact O-N 2.88Å; L12-S14 VanDerWaalsContact C-N 3.3Å; L12-S14 PolarHBondContact O-N 2.68Å; S14-A18 VanDerWaalsContact O-CB 3.24Å; S14-A18 WeakPolarHBondContact O-CB 2.99Å; S14-A18 PolarHBondContact O-N 3.39Å; S14-F188 WeakPolarHBondContact CA-O 3.4Å; S14-F188 WeakPolarHBondContact CB-O 3.15Å; S14-F188 PolarHBondContact OG-O 3.01Å; S14-V190 VanDerWaalsContact CB-CG2 3.42Å; S14-V190 WeakPolarHBondContact OG-CG2 3.03Å
15F94.9Very high93.1Very high79 Ų7947.7 Ų47.735%0.34624%0.24SC..Hα-helixtrans-64.6-41.8174.4-84.1-68.6000112.3L11 L12 K13 A18 A19 I127 I151L11-F15 HydrophobicContact CD1-CE2 4.19Å; L11-F15 HydrophobicContact CD2-CE2 4.42Å; L11-F15 HydrophobicContact CG-CD2 4.28Å; L11-F15 HydrophobicContact CG-CE2 3.97Å; L11-F15 WeakPolarHBondContact O-CD2 3.4Å; L11-F15 PolarHBondContact O-N 3.41Å; L12-F15 WeakPolarHBondContact O-CB 3.47Å; L12-F15 PolarHBondContact O-N 2.62Å; L12-F15 VanDerWaalsContact O-N 3.1Å; K13-F15 VanDerWaalsContact C-N 3.31Å; K13-F15 PolarHBondContact O-N 3.23Å; F15-A18 PolarHBondContact O-N 3.16Å; F15-A19 WeakPolarHBondContact O-CB 3.21Å; F15-A19 PolarHBondContact O-N 3.3Å; F15-I127 HydrophobicContact CB-CD1 4.25Å; F15-I127 HydrophobicContact CD1-CD1 4.44Å; F15-I127 HydrophobicContact CG-CD1 4.44Å; F15-I151 HydrophobicContact CE2-CD1 3.76Å; F15-I151 HydrophobicContact CZ-CD1 3.47Å; F15-I151 VanDerWaalsContact CZ-CD1 3.47Å
16I94Very high93.1Very high1 Ų144.1 Ų44.11%0.00522%0.216CC..Hα-helixtrans-60.6-53.5175.8-65.5167.2000109.3L12 K13 A18 A19 L20 I26 V28 L38 L42 L50 V94L12-I16 WeakPolarHBondContact O-CG1 3.33Å; L12-I16 PolarHBondContact O-N 3.21Å; K13-I16 WeakPolarHBondContact O-CB 3.48Å; K13-I16 PolarHBondContact O-N 2.87Å; K13-I16 VanDerWaalsContact O-N 3.11Å; I16-A18 VanDerWaalsContact C-N 3.32Å; I16-A18 PolarHBondContact O-N 3.44Å; I16-A19 PolarHBondContact O-N 3.36Å; I16-A19 VanDerWaalsContact O-N 3.11Å; I16-L20 HydrophobicContact CG2-CD1 3.78Å; I16-L20 HydrophobicContact CG2-CG 4.34Å; I16-L20 WeakPolarHBondContact O-CG 3.45Å; I16-L20 PolarHBondContact O-N 2.91Å; I16-I26 HydrophobicContact CG2-CD1 4.12Å; I16-I26 WeakPolarHBondContact O-CD1 3.28Å; I16-V28 HydrophobicContact CD1-CG2 4.11Å; I16-L38 HydrophobicContact CD1-CD1 4Å; I16-L42 HydrophobicContact CG2-CD1 4.27Å; I16-L50 HydrophobicContact CG2-CD1 4.06Å; I16-V94 HydrophobicContact CD1-CG1 4.18Å; I16-V94 HydrophobicContact CG1-CG1 4.28Å; I16-V94 HydrophobicContact CG1-CG2 4.2Å
17T92.8Very high93.1Very high12 Ų1241.9 Ų41.97%0.07421%0.207CC..Hα-helixtrans-55.9-44.8177.7-57.20000111.9K13 A19 L20 N21 L42K13-T17 PolarHBondContact O-N 3.04Å; K13-T17 PolarHBondContact O-OG1 2.84Å; K13-T17 VanDerWaalsContact O-OG1 3.1Å; T17-A19 PolarHBondContact O-N 2.98Å; T17-L20 PolarHBondContact O-N 3.42Å; T17-N21 WeakPolarHBondContact O-CB 3.11Å; T17-N21 PolarHBondContact O-N 3.1Å; T17-N21 PolarHBondContact O-ND2 3.16Å; T17-L42 VanDerWaalsContact OG1-CD2 3.22Å; T17-L42 WeakPolarHBondContact OG1-CD2 3.46Å
18A92.3Very high93.1Very high37 Ų3739.4 Ų39.431%0.30619%0.19SC..Hα-helixtrans-65.2-35.6178.600000113.2S14 F15 I16 R22S14-A18 VanDerWaalsContact O-CB 3.24Å; S14-A18 WeakPolarHBondContact O-CB 2.99Å; S14-A18 PolarHBondContact O-N 3.39Å; F15-A18 PolarHBondContact O-N 3.16Å; I16-A18 VanDerWaalsContact C-N 3.32Å; I16-A18 PolarHBondContact O-N 3.44Å; A18-R22 WeakPolarHBondContact O-CD 3.44Å; A18-R22 VanDerWaalsContact O-CG 3.29Å; A18-R22 WeakPolarHBondContact O-CG 3.39Å; A18-R22 PolarHBondContact O-N 2.93Å
19A91.6Very high93.2Very high7 Ų739.2 Ų39.26%0.05819%0.188CC..Hα-helixtrans-73.6-38176.300000112F15 I16 T17 R22 E23 E24 I26F15-A19 WeakPolarHBondContact O-CB 3.21Å; F15-A19 PolarHBondContact O-N 3.3Å; I16-A19 PolarHBondContact O-N 3.36Å; I16-A19 VanDerWaalsContact O-N 3.11Å; T17-A19 PolarHBondContact O-N 2.98Å; A19-R22 CarbonylContact O-C 3.51Å; A19-R22 WeakPolarHBondContact O-CB 3.3Å; A19-R22 PolarHBondContact O-N 2.88Å; A19-R22 VanDerWaalsContact O-N 3.08Å; A19-E23 PolarHBondContact O-N 2.95Å; A19-E24 HydrophobicContact CB-CB 4.36Å; A19-E24 WeakPolarHBondContact CB-OE2 3.26Å; A19-E24 WeakPolarHBondContact O-CB 3.39Å; A19-E24 PolarHBondContact O-N 3.12Å; A19-E24 VanDerWaalsContact O-N 3.08Å; A19-I26 HydrophobicContact CB-CD1 3.42Å; A19-I26 VanDerWaalsContact CB-CD1 3.42Å; A19-I26 HydrophobicContact CB-CG1 4.15Å
20L90.6Very high93.2Very high1 Ų135.6 Ų35.61%0.00517%0.174CC..Hα-helixtrans-62.8-42.7173.8-66.2169.2000111.4I16 T17 R22 E23 I26 D46 R49 L50I16-L20 HydrophobicContact CG2-CD1 3.78Å; I16-L20 HydrophobicContact CG2-CG 4.34Å; I16-L20 WeakPolarHBondContact O-CG 3.45Å; I16-L20 PolarHBondContact O-N 2.91Å; T17-L20 PolarHBondContact O-N 3.42Å; L20-R22 PolarHBondContact O-N 3Å; L20-E23 WeakPolarHBondContact O-CA 3.42Å; L20-E23 PolarHBondContact O-N 3.07Å; L20-I26 HydrophobicContact CD2-CD1 3.6Å; L20-I26 HydrophobicContact CD2-CG1 4.09Å; L20-I26 HydrophobicContact CG-CD1 3.59Å; L20-D46 HydrophobicContact CB-CB 3.95Å; L20-D46 HydrophobicContact CD1-CB 3.76Å; L20-D46 HydrophobicContact CD2-CB 4.16Å; L20-D46 HydrophobicContact CG-CB 4.13Å; L20-R49 HydrophobicContact CD2-CB 4.29Å; L20-R49 PolarHBondContact O-NH2 3.32Å; L20-L50 HydrophobicContact CD1-CD2 4.39Å; L20-L50 HydrophobicContact CD2-CB 4.09Å
21N90.2Very high93.2Very high99 Ų9932.2 Ų32.253%0.52916%0.156SC..THydrogen-bonded Turntrans-61.1-23173.8-72.1-28.3000113.4T17 E23T17-N21 WeakPolarHBondContact O-CB 3.11Å; T17-N21 PolarHBondContact O-N 3.1Å; T17-N21 PolarHBondContact O-ND2 3.16Å; N21-E23 VanDerWaalsContact C-N 3.29Å
22R90Very high93.1Very high180 Ų18033 Ų3368%0.67916%0.16SC*.THydrogen-bonded Turntrans-91.18175.2-68.6169.6-174.7179.73.6113.1A18 A19 L20 E24A18-R22 WeakPolarHBondContact O-CD 3.44Å; A18-R22 VanDerWaalsContact O-CG 3.29Å; A18-R22 WeakPolarHBondContact O-CG 3.39Å; A18-R22 PolarHBondContact O-N 2.93Å; A19-R22 CarbonylContact O-C 3.51Å; A19-R22 WeakPolarHBondContact O-CB 3.3Å; A19-R22 PolarHBondContact O-N 2.88Å; A19-R22 VanDerWaalsContact O-N 3.08Å; L20-R22 PolarHBondContact O-N 3Å; R22-E24 HydrophobicContact CB-CG 4.05Å; R22-E24 PolarHBondContact O-N 3.04Å
23E88.5Confident92.9Very high143 Ų14332.8 Ų32.867%0.66816%0.159SC*.THydrogen-bonded Turntrans61.329.7-177.5-45-170.3160.200114A19 L20 N21A19-E23 PolarHBondContact O-N 2.95Å; L20-E23 WeakPolarHBondContact O-CA 3.42Å; L20-E23 PolarHBondContact O-N 3.07Å; N21-E23 VanDerWaalsContact C-N 3.29Å
24E90.8Very high92.8Very high35 Ų3533 Ų3316%0.16416%0.163CC..  trans-83147.9175.9-59.6-173.5142.800110.9A19 R22 V92 R124A19-E24 HydrophobicContact CB-CB 4.36Å; A19-E24 WeakPolarHBondContact CB-OE2 3.26Å; A19-E24 WeakPolarHBondContact O-CB 3.39Å; A19-E24 PolarHBondContact O-N 3.12Å; A19-E24 VanDerWaalsContact O-N 3.08Å; R22-E24 HydrophobicContact CB-CG 4.05Å; R22-E24 PolarHBondContact O-N 3.04Å; E24-V92 HydrophobicContact CB-CG2 4.49Å; E24-R124 IonicContact OE1-CZ 2.89Å; E24-R124 IonicContact OE1-NE 3.61Å; E24-R124 IonicContact OE1-NH1 3.92Å; E24-R124 PolarHBondContact OE1-NH1 3.04Å
25V92.4Very high92.7Very high15 Ų1535.2 Ų35.29%0.09117%0.173CC..  trans-85.4130.41721800000108.1H87 A91 V92V25-H87 HydrophobicContact CG2-CB 3.89Å; V25-H87 VanDerWaalsContact CG2-CD2 3.48Å; V25-H87 WeakPolarHBondContact CG2-CD2 3.35Å; V25-H87 VanDerWaalsContact CG2-CG 3.5Å; V25-A91 HydrophobicContact CB-CB 4.16Å; V25-A91 HydrophobicContact CG1-CB 4.06Å; V25-A91 WeakPolarHBondContact O-CA 3.43Å; V25-A91 WeakPolarHBondContact O-CB 3.47Å; V25-V92 PolarHBondContact O-N 3.08Å
26I93.8Very high92.5Very high0 Ų038.1 Ų38.10%019%0.187CC..EExtended strand (participates in β ladder)trans-126.5128.5-172.7-50.7-179.2000109.5I16 A19 L20 V28 R49 L50 H51 V92 V94I16-I26 HydrophobicContact CG2-CD1 4.12Å; I16-I26 WeakPolarHBondContact O-CD1 3.28Å; A19-I26 HydrophobicContact CB-CD1 3.42Å; A19-I26 VanDerWaalsContact CB-CD1 3.42Å; A19-I26 HydrophobicContact CB-CG1 4.15Å; L20-I26 HydrophobicContact CD2-CD1 3.6Å; L20-I26 HydrophobicContact CD2-CG1 4.09Å; L20-I26 HydrophobicContact CG-CD1 3.59Å; I26-V28 HydrophobicContact CG2-CG2 3.89Å; I26-R49 PolarHBondContact N-O 3.39Å; I26-L50 HydrophobicContact CB-CD1 4.16Å; I26-L50 HydrophobicContact CG2-CD1 4.23Å; I26-H51 PolarHBondContact O-N 3.05Å; I26-V92 WeakPolarHBondContact CA-O 3.37Å; I26-V94 HydrophobicContact CG2-CB 4.49Å; I26-V94 HydrophobicContact CG2-CG2 3.67Å
27H94.6Very high92.3Very high0 Ų042.2 Ų42.20%021%0.206CC..EExtended strand (participates in β ladder)trans-107.5123.5168.7-67.9-113.8000108.2H51 H53 L81 T85 V92 L93 V94H27-H51 CarbonylContact C-O 3.59Å; H27-H51 VanDerWaalsContact CA-O 3.28Å; H27-H51 WeakPolarHBondContact CA-O 3.28Å; H27-H51 AromaticContact CE1-CD2 3.82Å; H27-H51 AromaticContact NE2-CD2 3.62Å; H27-H53 AromaticContact CG-NE2 3.82Å; H27-H53 AromaticContact ND1-CE1 3.85Å; H27-H53 AromaticContact ND1-NE2 3.12Å; H27-H53 PolarHBondContact ND1-NE2 2.84Å; H27-H53 VanDerWaalsContact ND1-NE2 3.12Å; H27-L81 HydrophobicContact CB-CD2 4.2Å; H27-L81 PolarHBondContact CE1-O 3.29Å; H27-T85 PolarHBondContact CE1-OG1 3.38Å; H27-T85 PolarHBondContact NE2-OG1 3.46Å; H27-V92 PolarHBondContact N-O 3.13Å; H27-L93 HydrophobicContact CB-CD1 4.07Å; H27-L93 CarbonylContact O-C 3.57Å; H27-V94 PolarHBondContact O-N 2.91Å
28V95.4Very high92.2Very high0 Ų041.8 Ų41.80%020%0.204CC..EExtended strand (participates in β ladder)trans-111.9119.2177.9-166.90000109.4I16 I26 L38 L50 H51 I52 H53 V94I16-V28 HydrophobicContact CD1-CG2 4.11Å; I26-V28 HydrophobicContact CG2-CG2 3.89Å; V28-L38 HydrophobicContact CB-CD2 4.02Å; V28-L38 HydrophobicContact CG1-CD2 3.68Å; V28-L38 HydrophobicContact CG2-CD2 4.29Å; V28-L50 HydrophobicContact CG2-CD1 3.64Å; V28-H51 PolarHBondContact N-O 3.1Å; V28-I52 HydrophobicContact CB-CG1 4.46Å; V28-H53 PolarHBondContact O-N 2.86Å; V28-V94 CarbonylContact C-O 3.52Å; V28-V94 WeakPolarHBondContact CA-O 3.21Å; V28-V94 HydrophobicContact CB-CB 4.43Å; V28-V94 HydrophobicContact CG1-CB 4.16Å; V28-V94 HydrophobicContact CG1-CG1 4.13Å; V28-V94 HydrophobicContact CG2-CB 4.12Å
29L95.8Very high92Very high0 Ų044.2 Ų44.20%021%0.207CC..EExtended strand (participates in β ladder)trans-84.5119.3165.9-50.2-176.9000107.5F31 H53 F68 F73 L78 L81 L93 V94 I95 D96L29-F31 HydrophobicContact CB-CD2 4.34Å; L29-F31 HydrophobicContact CB-CE2 3.89Å; L29-F31 HydrophobicContact CD1-CE2 4.44Å; L29-H53 HydrophobicContact CD2-CB 3.78Å; L29-F68 HydrophobicContact CD1-CD1 4.48Å; L29-F68 HydrophobicContact CD1-CE1 3.84Å; L29-F68 HydrophobicContact CD1-CZ 4.06Å; L29-F68 HydrophobicContact CD2-CD1 4.24Å; L29-F68 HydrophobicContact CD2-CD2 4.47Å; L29-F68 HydrophobicContact CD2-CE1 4.26Å; L29-F68 HydrophobicContact CD2-CE2 4.48Å; L29-F68 HydrophobicContact CD2-CG 4.35Å; L29-F68 HydrophobicContact CD2-CZ 4.38Å; L29-F73 HydrophobicContact CD1-CD2 4.3Å; L29-F73 HydrophobicContact CD1-CE2 4.36Å; L29-L78 HydrophobicContact CD1-CD2 3.69Å; L29-L78 HydrophobicContact CD2-CD2 4.41Å; L29-L81 HydrophobicContact CD2-CD1 4.16Å; L29-L93 HydrophobicContact CD1-CD1 4.38Å; L29-L93 HydrophobicContact CD2-CD1 4.39Å; L29-L93 HydrophobicContact CG-CD1 4.07Å; L29-V94 PolarHBondContact N-O 3.18Å; L29-I95 HydrophobicContact CD1-CG1 4.13Å; L29-D96 VanDerWaalsContact O-CG 3.32Å; L29-D96 PolarHBondContact O-N 3.4Å; L29-D96 VanDerWaalsContact O-N 3.1Å
30C95Very high91.8Very high0 Ų049.3 Ų49.30%023%0.234CC..EExtended strand (participates in β ladder)trans-108109.3-177-58.80000110.3L38 I52 H53 A55 Y56 D96C30-L38 WeakPolarHBondContact SG-CD2 3.39Å; C30-I52 VanDerWaalsContact SG-CG2 3.57Å; C30-H53 PolarHBondContact N-O 3.42Å; C30-A55 CarbonylContact O-C 3.56Å; C30-A55 VanDerWaalsContact O-C 3.22Å; C30-A55 WeakPolarHBondContact O-CA 3.44Å; C30-A55 VanDerWaalsContact O-CB 3.28Å; C30-A55 WeakPolarHBondContact O-CB 3.4Å; C30-A55 PolarHBondContact O-N 3.42Å; C30-Y56 PolarHBondContact O-N 3.45Å; C30-D96 VanDerWaalsContact CA-CG 3.5Å; C30-D96 WeakPolarHBondContact CA-OD2 3.2Å
31F94.5Very high91.2Very high6 Ų651 Ų513%0.02625%0.252CS..SBendtrans-111.7-32.1177.7-72.2-79.6000113L29 A55 P59 F68 D96 W100 I101L29-F31 HydrophobicContact CB-CD2 4.34Å; L29-F31 HydrophobicContact CB-CE2 3.89Å; L29-F31 HydrophobicContact CD1-CE2 4.44Å; F31-A55 HydrophobicContact CD1-CB 3.42Å; F31-A55 VanDerWaalsContact CD1-CB 3.42Å; F31-A55 HydrophobicContact CD2-CB 4.44Å; F31-A55 HydrophobicContact CE1-CB 3.3Å; F31-A55 HydrophobicContact CE2-CB 4.36Å; F31-A55 HydrophobicContact CG-CB 4.02Å; F31-A55 HydrophobicContact CZ-CB 3.82Å; F31-P59 HydrophobicContact CD1-CB 4.16Å; F31-P59 HydrophobicContact CE1-CB 4.49Å; F31-F68 HydrophobicContact CE2-CD1 4.48Å; F31-F68 HydrophobicContact CE2-CE1 4.4Å; F31-F68 AromaticContact CZ-CD1 3.83Å; F31-F68 HydrophobicContact CZ-CD1 3.83Å; F31-F68 AromaticContact CZ-CE1 3.82Å; F31-F68 HydrophobicContact CZ-CE1 3.82Å; F31-D96 PolarHBondContact N-OD1 3.49Å; F31-D96 PolarHBondContact N-OD2 3.03Å; F31-W100 HydrophobicContact CB-CB 3.82Å; F31-W100 HydrophobicContact CB-CD2 4.33Å; F31-W100 HydrophobicContact CB-CG 3.89Å; F31-W100 HydrophobicContact CD1-CB 4.35Å; F31-W100 AromaticContact CD1-CD2 3.56Å; F31-W100 HydrophobicContact CD1-CD2 3.56Å; F31-W100 AromaticContact CD1-CE3 3.14Å; F31-W100 HydrophobicContact CD1-CE3 3.14Å; F31-W100 HydrophobicContact CD1-CG 4.01Å; F31-W100 AromaticContact CD1-CZ3 3.64Å; F31-W100 HydrophobicContact CD1-CZ3 3.64Å; F31-W100 HydrophobicContact CE1-CD2 4.18Å; F31-W100 AromaticContact CE1-CE3 3.29Å; F31-W100 HydrophobicContact CE1-CE3 3.29Å; F31-W100 AromaticContact CE1-CZ3 3.42Å; F31-W100 HydrophobicContact CE1-CZ3 3.42Å; F31-W100 VanDerWaalsContact CE1-CZ3 3.42Å; F31-W100 HydrophobicContact CG-CB 4.11Å; F31-W100 HydrophobicContact CG-CD2 4.2Å; F31-W100 AromaticContact CG-CE3 4Å; F31-W100 HydrophobicContact CG-CE3 4Å; F31-W100 HydrophobicContact CG-CG 4.18Å; F31-W100 HydrophobicContact CZ-CE3 4.23Å; F31-W100 HydrophobicContact CZ-CZ3 4.47Å; F31-I101 HydrophobicContact CD2-CG1 4.49Å; F31-I101 HydrophobicContact CE2-CD1 3.87Å; F31-I101 HydrophobicContact CE2-CG1 3.87Å; F31-I101 HydrophobicContact CZ-CD1 4.37Å; F31-I101 HydrophobicContact CZ-CG1 3.96Å
32D92.6Very high90.9Very high37 Ų3747.5 Ų47.520%0.19823%0.233CC..SBendtrans-106.7-21.4-169.7-90.613.8000113.2R9 D96 S97 H131R9-D32 IonicContact NH2-OD2 3.44Å; D32-D96 PolarHBondContact N-OD2 3.12Å; D32-S97 WeakPolarHBondContact OD1-CB 3.4Å; D32-S97 PolarHBondContact OD1-OG 3.37Å; D32-S97 WeakPolarHBondContact OD2-CB 3.44Å; D32-S97 PolarHBondContact OD2-OG 3.39Å; D32-H131 IonicContact OD2-CD2 2.6Å; D32-H131 PolarHBondContact OD2-CD2 2.88Å; D32-H131 IonicContact OD2-NE2 3.02Å; D32-H131 PolarHBondContact OD2-NE2 3.16Å
33V92.8Very high90.3Very high9 Ų943.9 Ų43.96%0.05522%0.222CC..SBendtrans-128.2149.8178.4-650000111R9 E37 L38 Y56 D96R9-V33 VanDerWaalsContact NH1-CG1 3.29Å; V33-E37 HydrophobicContact CB-CB 4.41Å; V33-E37 HydrophobicContact CB-CG 4.36Å; V33-E37 HydrophobicContact CG1-CG 4.41Å; V33-E37 WeakPolarHBondContact CG1-OE1 3.3Å; V33-L38 HydrophobicContact CG2-CB 4.2Å; V33-Y56 WeakPolarHBondContact O-CB 3.31Å; V33-D96 PolarHBondContact N-OD2 3.46Å
34S92.4Very high89.2Confident24 Ų2442.2 Ų42.217%0.16822%0.224CC..  trans-68.7161.5172.965.80000111.7E36 E37 L38S34-E36 VanDerWaalsContact C-N 3.26Å; S34-E36 WeakPolarHBondContact CB-OE2 3.19Å; S34-E36 PolarHBondContact O-N 2.97Å; S34-E36 PolarHBondContact OG-OE2 3.5Å; S34-E37 PolarHBondContact O-N 3.1Å; S34-E37 VanDerWaalsContact OG-CB 3.26Å; S34-E37 WeakPolarHBondContact OG-CB 3.28Å; S34-E37 PolarHBondContact OG-N 2.95Å; S34-E37 VanDerWaalsContact OG-N 3.13Å; S34-L38 WeakPolarHBondContact O-CB 3.27Å; S34-L38 PolarHBondContact O-N 3.35Å
35E91.1Very high87.8Confident54 Ų5445.4 Ų45.425%0.25225%0.25SC..Hα-helixtrans-63.7-35.7176.4177.6168.2172.500111.4L38 K39 I52E35-L38 PolarHBondContact O-N 3.46Å; E35-K39 HydrophobicContact CG-CD 4.17Å; E35-K39 WeakPolarHBondContact O-CB 3.18Å; E35-K39 VanDerWaalsContact O-CG 3.28Å; E35-K39 WeakPolarHBondContact O-CG 3.46Å; E35-K39 PolarHBondContact O-N 3.1Å; E35-K39 WeakPolarHBondContact OE1-CE 3.36Å; E35-K39 IonicContact OE1-NZ 3.56Å; E35-K39 PolarHBondContact OE1-NZ 2.98Å; E35-I52 HydrophobicContact CB-CG2 4.15Å; E35-I52 HydrophobicContact CG-CB 4.33Å; E35-I52 HydrophobicContact CG-CD1 3.9Å; E35-I52 HydrophobicContact CG-CG2 3.87Å
36E90.6Very high86.5Confident141 Ų14145.3 Ų45.366%0.65925%0.249SC*.Hα-helixtrans-65-48.2176.6-59.875.5-16400111S34 L38 K39 D40S34-E36 VanDerWaalsContact C-N 3.26Å; S34-E36 WeakPolarHBondContact CB-OE2 3.19Å; S34-E36 PolarHBondContact O-N 2.97Å; S34-E36 PolarHBondContact OG-OE2 3.5Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 2.79Å; E36-K39 PolarHBondContact O-N 3.45Å; E36-D40 PolarHBondContact O-N 3.27Å
37E90.9Very high85.3Confident86 Ų8649.3 Ų49.340%0.40227%0.273SS..Hα-helixtrans-64.9-36.9177.5-176-175.616100111.7R9 K13 V33 S34 D40R9-E37 IonicContact NH1-OE1 3.45Å; K13-E37 WeakPolarHBondContact CE-O 3.22Å; K13-E37 PolarHBondContact NZ-O 2.87Å; V33-E37 HydrophobicContact CB-CB 4.41Å; V33-E37 HydrophobicContact CB-CG 4.36Å; V33-E37 HydrophobicContact CG1-CG 4.41Å; V33-E37 WeakPolarHBondContact CG1-OE1 3.3Å; S34-E37 PolarHBondContact O-N 3.1Å; S34-E37 VanDerWaalsContact OG-CB 3.26Å; S34-E37 WeakPolarHBondContact OG-CB 3.28Å; S34-E37 PolarHBondContact OG-N 2.95Å; S34-E37 VanDerWaalsContact OG-N 3.13Å; E37-D40 WeakPolarHBondContact O-CB 3.31Å; E37-D40 PolarHBondContact O-N 3.41Å
38L89.7Confident84.6Confident4 Ų457.5 Ų57.52%0.02131%0.311CS..Hα-helixtrans-65.6-42.6176-179.466.1000111.5K13 I16 V28 C30 V33 S34 E35 E36 D40 L42 I52K13-L38 HydrophobicContact CG-CD1 4.39Å; I16-L38 HydrophobicContact CD1-CD1 4Å; V28-L38 HydrophobicContact CB-CD2 4.02Å; V28-L38 HydrophobicContact CG1-CD2 3.68Å; V28-L38 HydrophobicContact CG2-CD2 4.29Å; C30-L38 WeakPolarHBondContact SG-CD2 3.39Å; V33-L38 HydrophobicContact CG2-CB 4.2Å; S34-L38 WeakPolarHBondContact O-CB 3.27Å; S34-L38 PolarHBondContact O-N 3.35Å; E35-L38 PolarHBondContact O-N 3.46Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 2.79Å; L38-D40 VanDerWaalsContact C-N 3.28Å; L38-L42 WeakPolarHBondContact O-CD1 3.14Å; L38-I52 HydrophobicContact CD2-CD1 3.85Å; L38-I52 HydrophobicContact CD2-CG1 3.96Å
39K88.8Confident84.2Confident87 Ų8760.3 Ų60.338%0.37832%0.322SS..Hα-helixtrans-72.1-22.2178.8-73.9179.4-173.6174.90113E35 E36 G41 L42 I52E35-K39 HydrophobicContact CG-CD 4.17Å; E35-K39 WeakPolarHBondContact O-CB 3.18Å; E35-K39 VanDerWaalsContact O-CG 3.28Å; E35-K39 WeakPolarHBondContact O-CG 3.46Å; E35-K39 PolarHBondContact O-N 3.1Å; E35-K39 WeakPolarHBondContact OE1-CE 3.36Å; E35-K39 IonicContact OE1-NZ 3.56Å; E35-K39 PolarHBondContact OE1-NZ 2.98Å; E36-K39 PolarHBondContact O-N 3.45Å; K39-G41 PolarHBondContact O-N 2.67Å; K39-L42 WeakPolarHBondContact O-CB 3.33Å; K39-L42 PolarHBondContact O-N 3.25Å; K39-I52 HydrophobicContact CD-CD1 4.32Å; K39-I52 VanDerWaalsContact CE-CD1 3.48Å; K39-I52 HydrophobicContact CG-CD1 3.87Å
40D87.9Confident84Confident114 Ų11461.1 Ų61.161%0.6133%0.327SS*.THydrogen-bonded Turntrans-58.2124.7177-172.747.5000111.3K13 E36 E37 L38 L42 F188K13-D40 PolarHBondContact NZ-O 3.48Å; K13-D40 VanDerWaalsContact NZ-O 3.13Å; E36-D40 PolarHBondContact O-N 3.27Å; E37-D40 WeakPolarHBondContact O-CB 3.31Å; E37-D40 PolarHBondContact O-N 3.41Å; L38-D40 VanDerWaalsContact C-N 3.28Å; D40-L42 VanDerWaalsContact C-N 3.31Å; D40-L42 PolarHBondContact O-N 2.85Å; D40-F188 WeakPolarHBondContact O-CE2 3.43Å; D40-F188 WeakPolarHBondContact O-CZ 3.28Å
41G78.4Confident83.9Confident38 Ų3863.2 Ų63.239%0.39234%0.336SS..THydrogen-bonded Turntrans78.6-5.2-173.400000116.2K39 F188K39-G41 PolarHBondContact O-N 2.67Å; G41-F188 VanDerWaalsContact C-CE2 3.49Å
42L82.4Confident83.8Confident24 Ų2464.2 Ų64.213%0.12634%0.342CS..SBendtrans-80.6146.3172.4-61.3-176.4000111.1I16 T17 L38 K39 D40 L50 F188I16-L42 HydrophobicContact CG2-CD1 4.27Å; T17-L42 VanDerWaalsContact OG1-CD2 3.22Å; T17-L42 WeakPolarHBondContact OG1-CD2 3.46Å; L38-L42 WeakPolarHBondContact O-CD1 3.14Å; K39-L42 WeakPolarHBondContact O-CB 3.33Å; K39-L42 PolarHBondContact O-N 3.25Å; D40-L42 VanDerWaalsContact C-N 3.31Å; D40-L42 PolarHBondContact O-N 2.85Å; L42-L50 HydrophobicContact CD1-CD2 3.8Å; L42-F188 HydrophobicContact CD2-CD2 4.13Å; L42-F188 HydrophobicContact CD2-CE2 4.32Å
43K78.4Confident83.8Confident104 Ų10464 Ų6445%0.45234%0.339SS..  trans-73.6137.1-178.5-67178.7-1761750111.3S45 D46K43-S45 VanDerWaalsContact C-N 3.3Å; K43-S45 PolarHBondContact O-N 3.06Å; K43-D46 PolarHBondContact O-N 3.48Å
44P65.8Low83.7Confident109 Ų10965 Ų6571%0.70834%0.344SS*.G310 helixtrans-63.7-29.1-175-22.131.3000115.1D46 T47P44-D46 PolarHBondContact O-N 2.79Å; P44-D46 VanDerWaalsContact O-N 3.16Å; P44-T47 WeakPolarHBondContact O-CG2 3.34Å; P44-T47 PolarHBondContact O-OG1 2.6Å
45S60.9Low83.7Confident101 Ų10163.9 Ų63.971%0.70634%0.336SS*.G310 helixtrans-68.3-8-176.336.70000114.4K43K43-S45 VanDerWaalsContact C-N 3.3Å; K43-S45 PolarHBondContact O-N 3.06Å
46D65.1Low83.8Confident14 Ų1466.7 Ų66.78%0.07535%0.346CS..G310 helixtrans-100.91.5-174.4-64.9-50.2000114.4L20 K43 P44 Q48 R49 L50L20-D46 HydrophobicContact CB-CB 3.95Å; L20-D46 HydrophobicContact CD1-CB 3.76Å; L20-D46 HydrophobicContact CD2-CB 4.16Å; L20-D46 HydrophobicContact CG-CB 4.13Å; K43-D46 PolarHBondContact O-N 3.48Å; P44-D46 PolarHBondContact O-N 2.79Å; P44-D46 VanDerWaalsContact O-N 3.16Å; D46-Q48 VanDerWaalsContact C-N 3.32Å; D46-Q48 PolarHBondContact O-N 3.34Å; D46-R49 PolarHBondContact O-N 3.43Å; D46-R49 IonicContact OD1-NH2 3Å; D46-R49 PolarHBondContact OD1-NH2 2.85Å; D46-L50 PolarHBondContact O-N 2.78Å
47T68.1Low83.8Confident84 Ų8464.1 Ų64.152%0.51534%0.343SS..THydrogen-bonded Turntrans-68.2-21.6-170.943.40000115.1P44 R49P44-T47 WeakPolarHBondContact O-CG2 3.34Å; P44-T47 PolarHBondContact O-OG1 2.6Å; T47-R49 VanDerWaalsContact C-N 3.29Å; T47-R49 PolarHBondContact O-N 2.74Å
48Q79.5Confident83.8Confident171 Ų17160.6 Ų60.680%0.79933%0.327SS*.THydrogen-bonded Turntrans-71.7-23.1177.8-69.5-171.7-10.200113.6D46D46-Q48 VanDerWaalsContact C-N 3.32Å; D46-Q48 PolarHBondContact O-N 3.34Å
49R88Confident83.7Confident59 Ų5961.6 Ų61.622%0.22333%0.334CS..THydrogen-bonded Turntrans-105.8-10.7-176.7-64.6177.3-67.9-151.53.9112.9L20 I26 D46 T47L20-R49 HydrophobicContact CD2-CB 4.29Å; L20-R49 PolarHBondContact O-NH2 3.32Å; I26-R49 PolarHBondContact N-O 3.39Å; D46-R49 PolarHBondContact O-N 3.43Å; D46-R49 IonicContact OD1-NH2 3Å; D46-R49 PolarHBondContact OD1-NH2 2.85Å; T47-R49 VanDerWaalsContact C-N 3.29Å; T47-R49 PolarHBondContact O-N 2.74Å
50L91.6Very high83.8Confident18 Ų1860.2 Ų60.29%0.09433%0.33CS..EExtended strand (participates in β ladder)trans-98.5106.8-179.7-178.662.7000109.4I16 L20 I26 V28 L42 D46 I52I16-L50 HydrophobicContact CG2-CD1 4.06Å; L20-L50 HydrophobicContact CD1-CD2 4.39Å; L20-L50 HydrophobicContact CD2-CB 4.09Å; I26-L50 HydrophobicContact CB-CD1 4.16Å; I26-L50 HydrophobicContact CG2-CD1 4.23Å; V28-L50 HydrophobicContact CG2-CD1 3.64Å; L42-L50 HydrophobicContact CD1-CD2 3.8Å; D46-L50 PolarHBondContact O-N 2.78Å; L50-I52 HydrophobicContact CD1-CG1 4.46Å; L50-I52 HydrophobicContact CD2-CD1 4.08Å; L50-I52 HydrophobicContact CD2-CG1 4.49Å; L50-I52 HydrophobicContact CG-CD1 4.23Å; L50-I52 HydrophobicContact CG-CG1 4.12Å
51H92.1Very high83.8Confident44 Ų4456 Ų5620%0.20431%0.314CS..EExtended strand (participates in β ladder)trans-103.2111.8177.1-56.9-68.6000109.6I26 H27 V28 H53 T85 H87I26-H51 PolarHBondContact O-N 3.05Å; H27-H51 CarbonylContact C-O 3.59Å; H27-H51 VanDerWaalsContact CA-O 3.28Å; H27-H51 WeakPolarHBondContact CA-O 3.28Å; H27-H51 AromaticContact CE1-CD2 3.82Å; H27-H51 AromaticContact NE2-CD2 3.62Å; V28-H51 PolarHBondContact N-O 3.1Å; H51-H53 PolarHBondContact O-CD2 2.83Å; H51-T85 VanDerWaalsContact CE1-CG2 3.47Å; H51-T85 WeakPolarHBondContact CE1-CG2 3.36Å; H51-T85 WeakPolarHBondContact NE2-CG2 3.47Å; H51-H87 AromaticContact NE2-NE2 3.95Å
52I92.3Very high84.2Confident27 Ų2764.6 Ų64.614%0.13833%0.334CS..EExtended strand (participates in β ladder)trans-98.8129.4179.9-67166000109V28 C30 E35 L38 K39 L50V28-I52 HydrophobicContact CB-CG1 4.46Å; C30-I52 VanDerWaalsContact SG-CG2 3.57Å; E35-I52 HydrophobicContact CB-CG2 4.15Å; E35-I52 HydrophobicContact CG-CB 4.33Å; E35-I52 HydrophobicContact CG-CD1 3.9Å; E35-I52 HydrophobicContact CG-CG2 3.87Å; L38-I52 HydrophobicContact CD2-CD1 3.85Å; L38-I52 HydrophobicContact CD2-CG1 3.96Å; K39-I52 HydrophobicContact CD-CD1 4.32Å; K39-I52 VanDerWaalsContact CE-CD1 3.48Å; K39-I52 HydrophobicContact CG-CD1 3.87Å; L50-I52 HydrophobicContact CD1-CG1 4.46Å; L50-I52 HydrophobicContact CD2-CD1 4.08Å; L50-I52 HydrophobicContact CD2-CG1 4.49Å; L50-I52 HydrophobicContact CG-CD1 4.23Å; L50-I52 HydrophobicContact CG-CG1 4.12Å
53H92.8Very high84.3Confident32 Ų3268 Ų6815%0.14836%0.357CS..EExtended strand (participates in β ladder)trans-111.598.3177.9-56.1-82.3000107.1H27 V28 L29 C30 H51 A55 F68 L81H27-H53 AromaticContact CG-NE2 3.82Å; H27-H53 AromaticContact ND1-CE1 3.85Å; H27-H53 AromaticContact ND1-NE2 3.12Å; H27-H53 PolarHBondContact ND1-NE2 2.84Å; H27-H53 VanDerWaalsContact ND1-NE2 3.12Å; V28-H53 PolarHBondContact O-N 2.86Å; L29-H53 HydrophobicContact CD2-CB 3.78Å; C30-H53 PolarHBondContact N-O 3.42Å; H51-H53 PolarHBondContact O-CD2 2.83Å; H53-A55 PolarHBondContact O-N 3.21Å; H53-A55 VanDerWaalsContact O-N 3.1Å; H53-F68 HydrophobicContact CB-CB 4.28Å; H53-L81 HydrophobicContact CB-CD1 4.29Å; H53-L81 VanDerWaalsContact CE1-CG 3.45Å; H53-L81 WeakPolarHBondContact CE1-CG 3.29Å; H53-L81 WeakPolarHBondContact ND1-CD1 3.47Å; H53-L81 WeakPolarHBondContact NE2-CD2 3.39Å
54N91.1Very high84.2Confident30 Ų3065.7 Ų65.716%0.1636%0.362CS..EExtended strand (participates in β ladder)trans-69.8105.3-177.8-179.90000110.1Y56 S57 N67N54-Y56 PolarHBondContact OD1-N 2.81Å; N54-S57 PolarHBondContact ND2-OG 3.31Å; N54-S57 PolarHBondContact OD1-N 2.95Å; N54-N67 WeakPolarHBondContact O-CB 3.47Å
55A92.1Very high84.6Confident0 Ų068.6 Ų68.60%037%0.366CS..  trans-100.6-15.1162.500000111.6C30 F31 H53 S57 D58 P59 F68C30-A55 CarbonylContact O-C 3.56Å; C30-A55 VanDerWaalsContact O-C 3.22Å; C30-A55 WeakPolarHBondContact O-CA 3.44Å; C30-A55 VanDerWaalsContact O-CB 3.28Å; C30-A55 WeakPolarHBondContact O-CB 3.4Å; C30-A55 PolarHBondContact O-N 3.42Å; F31-A55 HydrophobicContact CD1-CB 3.42Å; F31-A55 VanDerWaalsContact CD1-CB 3.42Å; F31-A55 HydrophobicContact CD2-CB 4.44Å; F31-A55 HydrophobicContact CE1-CB 3.3Å; F31-A55 HydrophobicContact CE2-CB 4.36Å; F31-A55 HydrophobicContact CG-CB 4.02Å; F31-A55 HydrophobicContact CZ-CB 3.82Å; H53-A55 PolarHBondContact O-N 3.21Å; H53-A55 VanDerWaalsContact O-N 3.1Å; A55-S57 PolarHBondContact O-N 3.28Å; A55-D58 CarbonylContact O-C 3.22Å; A55-D58 PolarHBondContact O-N 2.75Å; A55-P59 WeakPolarHBondContact O-CA 3.49Å; A55-P59 WeakPolarHBondContact O-CB 3.41Å; A55-P59 WeakPolarHBondContact O-CD 3.5Å; A55-F68 WeakPolarHBondContact CA-O 3.48Å; A55-F68 HydrophobicContact CB-CB 4.37Å; A55-F68 HydrophobicContact CB-CD1 4.29Å; A55-F68 VanDerWaalsContact CB-O 3.3Å; A55-F68 WeakPolarHBondContact CB-O 3.37Å
56Y92.9Very high85.6Confident114 Ų11465.8 Ų65.845%0.44735%0.345SS..SBendtrans-56.6-45.6-177175-98.7000113.6C30 V33 N54C30-Y56 PolarHBondContact O-N 3.45Å; V33-Y56 WeakPolarHBondContact O-CB 3.31Å; N54-Y56 PolarHBondContact OD1-N 2.81Å
57S90.6Very high86.4Confident86 Ų8670.8 Ų70.860%0.60137%0.372SS*.SBendtrans-72.1-34.4-175.3-57.80000113.5N54 A55N54-S57 PolarHBondContact ND2-OG 3.31Å; N54-S57 PolarHBondContact OD1-N 2.95Å; A55-S57 PolarHBondContact O-N 3.28Å
58D90.8Very high87.5Confident12 Ų1267 Ų676%0.06435%0.348CS..  trans-148.369-179.3-172.316.8000112.1A55 L60 G61 W62 T63A55-D58 CarbonylContact O-C 3.22Å; A55-D58 PolarHBondContact O-N 2.75Å; D58-L60 PolarHBondContact O-N 3.45Å; D58-L60 VanDerWaalsContact O-N 3.15Å; D58-G61 VanDerWaalsContact CG-CA 3.47Å; D58-G61 PolarHBondContact O-N 3.34Å; D58-G61 WeakPolarHBondContact OD1-CA 3.44Å; D58-G61 PolarHBondContact OD1-N 3.33Å; D58-G61 WeakPolarHBondContact OD2-CA 3.33Å; D58-W62 VanDerWaalsContact CG-N 3.3Å; D58-W62 PolarHBondContact OD1-N 2.96Å; D58-W62 PolarHBondContact OD2-N 3.42Å; D58-W62 VanDerWaalsContact OD2-N 3.08Å; D58-T63 HydrophobicContact CB-CG2 4.08Å; D58-T63 VanDerWaalsContact OD2-CB 3.32Å; D58-T63 WeakPolarHBondContact OD2-CB 3.27Å; D58-T63 PolarHBondContact OD2-N 2.92Å; D58-T63 PolarHBondContact OD2-OG1 3.17Å
59P88.6Confident88Confident26 Ų2659.4 Ų59.417%0.16931%0.314CS..THydrogen-bonded Turntrans-73.9-12.5-169.331.6-37.9000112.5F31 A55 T69 A70 W100F31-P59 HydrophobicContact CD1-CB 4.16Å; F31-P59 HydrophobicContact CE1-CB 4.49Å; A55-P59 WeakPolarHBondContact O-CA 3.49Å; A55-P59 WeakPolarHBondContact O-CB 3.41Å; A55-P59 WeakPolarHBondContact O-CD 3.5Å; P59-T69 CarbonylContact O-C 3.43Å; P59-T69 VanDerWaalsContact O-CA 3.29Å; P59-T69 WeakPolarHBondContact O-CA 3.42Å; P59-T69 WeakPolarHBondContact O-CB 3.26Å; P59-A70 PolarHBondContact O-N 2.9Å; P59-W100 HydrophobicContact CB-CD2 4.41Å; P59-W100 HydrophobicContact CB-CE3 4.43Å; P59-W100 HydrophobicContact CB-CH2 3.36Å; P59-W100 HydrophobicContact CB-CZ2 3.29Å; P59-W100 HydrophobicContact CB-CZ3 3.84Å; P59-W100 HydrophobicContact CG-CH2 4Å; P59-W100 HydrophobicContact CG-CZ2 3.46Å; P59-W100 VanDerWaalsContact CG-CZ2 3.46Å; P59-W100 VanDerWaalsContact O-CH2 3.26Å; P59-W100 WeakPolarHBondContact O-CH2 3.39Å
60L89.7Confident88.1Confident58 Ų5856.6 Ų56.630%0.30430%0.303SS..THydrogen-bonded Turntrans-112-0.1178.9-65.4176.5000113.9D58 W62 W100D58-L60 PolarHBondContact O-N 3.45Å; D58-L60 VanDerWaalsContact O-N 3.15Å; L60-W62 HydrophobicContact CB-CD2 4.45Å; L60-W62 HydrophobicContact CB-CG 4.37Å; L60-W62 HydrophobicContact CB-CZ2 4.49Å; L60-W62 HydrophobicContact CD1-CH2 4.3Å; L60-W62 HydrophobicContact CD1-CZ2 3.47Å; L60-W62 VanDerWaalsContact CD1-CZ2 3.47Å; L60-W100 HydrophobicContact CD2-CH2 3.63Å; L60-W100 HydrophobicContact CD2-CZ2 4.14Å; L60-W100 HydrophobicContact CG-CH2 3.98Å; L60-W100 HydrophobicContact CG-CZ2 4.11Å
61G88.9Confident88Confident26 Ų2661.3 Ų61.327%0.26832%0.324SS..  trans73.225.6176.300000114.8D58 T63 G64D58-G61 VanDerWaalsContact CG-CA 3.47Å; D58-G61 PolarHBondContact O-N 3.34Å; D58-G61 WeakPolarHBondContact OD1-CA 3.44Å; D58-G61 PolarHBondContact OD1-N 3.33Å; D58-G61 WeakPolarHBondContact OD2-CA 3.33Å; G61-T63 VanDerWaalsContact C-N 3.26Å; G61-T63 PolarHBondContact O-N 2.99Å; G61-G64 PolarHBondContact O-N 3.26Å
62W87.4Confident88Confident217 Ų21762.2 Ų62.282%0.82233%0.329SS*.THydrogen-bonded Turntrans-68.4-24.1-179.3-64.8-7000113.4D58 L60D58-W62 VanDerWaalsContact CG-N 3.3Å; D58-W62 PolarHBondContact OD1-N 2.96Å; D58-W62 PolarHBondContact OD2-N 3.42Å; D58-W62 VanDerWaalsContact OD2-N 3.08Å; L60-W62 HydrophobicContact CB-CD2 4.45Å; L60-W62 HydrophobicContact CB-CG 4.37Å; L60-W62 HydrophobicContact CB-CZ2 4.49Å; L60-W62 HydrophobicContact CD1-CH2 4.3Å; L60-W62 HydrophobicContact CD1-CZ2 3.47Å; L60-W62 VanDerWaalsContact CD1-CZ2 3.47Å
63T84.8Confident88.1Confident97 Ų9761 Ų6160%0.59532%0.322SS*.THydrogen-bonded Turntrans-87.5-6.3-178.170.10000113.3D58 G61 H65D58-T63 HydrophobicContact CB-CG2 4.08Å; D58-T63 VanDerWaalsContact OD2-CB 3.32Å; D58-T63 WeakPolarHBondContact OD2-CB 3.27Å; D58-T63 PolarHBondContact OD2-N 2.92Å; D58-T63 PolarHBondContact OD2-OG1 3.17Å; G61-T63 VanDerWaalsContact C-N 3.26Å; G61-T63 PolarHBondContact O-N 2.99Å; T63-H65 PolarHBondContact O-N 3.4Å
64G74.7Confident88.1Confident54 Ų5460.9 Ų60.956%0.55733%0.325SS*.SBendtrans79.4-9.5177.800000115.5G61 P66G61-G64 PolarHBondContact O-N 3.26Å; G64-P66 VanDerWaalsContact C-CD 3.43Å
65H75.3Confident88.3Confident171 Ų17162 Ų6279%0.79233%0.331SS*.  trans-129.454.2177.1-57.7-56.1000112.9T63T63-H65 PolarHBondContact O-N 3.4Å
66P80.8Confident88.3Confident41 Ų4169.1 Ų69.127%0.26636%0.364SS..  trans-74.4137.3-179.831.8-35.1000111.6G64 T69G64-P66 VanDerWaalsContact C-CD 3.43Å; P66-T69 HydrophobicContact CB-CG2 3.43Å; P66-T69 VanDerWaalsContact CB-CG2 3.43Å; P66-T69 HydrophobicContact CG-CG2 3.61Å
67N83.1Confident88.3Confident120 Ų12066.6 Ų66.664%0.64236%0.359SS*.SBendtrans-71-41.9169.9-70.7-26.1000111N54N54-N67 WeakPolarHBondContact O-CB 3.47Å
68F89.9Confident88.4Confident5 Ų562.6 Ų62.62%0.02233%0.33CS..SBendtrans-153.5147.2174-166.5-96000110.9L29 F31 H53 A55 Q72 L78 L81L29-F68 HydrophobicContact CD1-CD1 4.48Å; L29-F68 HydrophobicContact CD1-CE1 3.84Å; L29-F68 HydrophobicContact CD1-CZ 4.06Å; L29-F68 HydrophobicContact CD2-CD1 4.24Å; L29-F68 HydrophobicContact CD2-CD2 4.47Å; L29-F68 HydrophobicContact CD2-CE1 4.26Å; L29-F68 HydrophobicContact CD2-CE2 4.48Å; L29-F68 HydrophobicContact CD2-CG 4.35Å; L29-F68 HydrophobicContact CD2-CZ 4.38Å; F31-F68 HydrophobicContact CE2-CD1 4.48Å; F31-F68 HydrophobicContact CE2-CE1 4.4Å; F31-F68 AromaticContact CZ-CD1 3.83Å; F31-F68 HydrophobicContact CZ-CD1 3.83Å; F31-F68 AromaticContact CZ-CE1 3.82Å; F31-F68 HydrophobicContact CZ-CE1 3.82Å; H53-F68 HydrophobicContact CB-CB 4.28Å; A55-F68 WeakPolarHBondContact CA-O 3.48Å; A55-F68 HydrophobicContact CB-CB 4.37Å; A55-F68 HydrophobicContact CB-CD1 4.29Å; A55-F68 VanDerWaalsContact CB-O 3.3Å; A55-F68 WeakPolarHBondContact CB-O 3.37Å; F68-Q72 HydrophobicContact CD2-CB 4.25Å; F68-Q72 HydrophobicContact CE2-CB 3.89Å; F68-Q72 HydrophobicContact CZ-CB 4.13Å; F68-Q72 WeakPolarHBondContact CZ-O 3.4Å; F68-L78 HydrophobicContact CE2-CD2 3.94Å; F68-L78 HydrophobicContact CZ-CD2 3.65Å; F68-L78 HydrophobicContact CZ-CG 4.42Å; F68-L81 HydrophobicContact CD2-CD1 3.6Å; F68-L81 HydrophobicContact CE2-CD1 3.84Å
69T91.1Very high88.5Confident11 Ų1163 Ų637%0.06733%0.333CS..  trans-132.5164.7-178.363.30000112.5P59 P66 Q71 Q72P59-T69 CarbonylContact O-C 3.43Å; P59-T69 VanDerWaalsContact O-CA 3.29Å; P59-T69 WeakPolarHBondContact O-CA 3.42Å; P59-T69 WeakPolarHBondContact O-CB 3.26Å; P66-T69 HydrophobicContact CB-CG2 3.43Å; P66-T69 VanDerWaalsContact CB-CG2 3.43Å; P66-T69 HydrophobicContact CG-CG2 3.61Å; T69-Q71 PolarHBondContact O-N 3.43Å; T69-Q72 PolarHBondContact O-N 3.32Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.39Å; T69-Q72 PolarHBondContact OG1-N 2.9Å; T69-Q72 PolarHBondContact OG1-OE1 3.39Å
70A89.9Confident88.6Confident0 Ų065.9 Ų65.90%035%0.347CS..SBendtrans-50.7-42.9170.600000112.5P59 Q72 F73 W100 H104 K105P59-A70 PolarHBondContact O-N 2.9Å; A70-Q72 VanDerWaalsContact C-N 3.25Å; A70-Q72 PolarHBondContact O-N 3.13Å; A70-F73 WeakPolarHBondContact O-CB 3.28Å; A70-F73 PolarHBondContact O-N 3.3Å; A70-W100 HydrophobicContact CB-CE3 4.03Å; A70-W100 HydrophobicContact CB-CH2 3.52Å; A70-W100 HydrophobicContact CB-CZ3 3.03Å; A70-H104 HydrophobicContact CB-CB 3.71Å; A70-K105 VanDerWaalsContact O-CE 3.28Å; A70-K105 WeakPolarHBondContact O-CE 3.39Å; A70-K105 PolarHBondContact O-NZ 3.29Å; A70-K105 VanDerWaalsContact O-NZ 3.07Å
71Q89Confident88.6Confident117 Ų11763.9 Ų63.955%0.54734%0.337SS..THydrogen-bonded Turntrans-70.8-29.4-170.6-59.5-56.6-15.100111T69 F73 K105T69-Q71 PolarHBondContact O-N 3.43Å; Q71-F73 PolarHBondContact O-N 3.01Å; Q71-K105 PolarHBondContact O-NZ 3.21Å
72Q91.9Very high88.6Confident63 Ų6363.1 Ų63.129%0.29433%0.327SS..THydrogen-bonded Turntrans-77.13.3172.1-69.1163.2-39.700113.8F68 T69 A70 S74 D77F68-Q72 HydrophobicContact CD2-CB 4.25Å; F68-Q72 HydrophobicContact CE2-CB 3.89Å; F68-Q72 HydrophobicContact CZ-CB 4.13Å; F68-Q72 WeakPolarHBondContact CZ-O 3.4Å; T69-Q72 PolarHBondContact O-N 3.32Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.39Å; T69-Q72 PolarHBondContact OG1-N 2.9Å; T69-Q72 PolarHBondContact OG1-OE1 3.39Å; A70-Q72 VanDerWaalsContact C-N 3.25Å; A70-Q72 PolarHBondContact O-N 3.13Å; Q72-S74 PolarHBondContact O-N 3.38Å; Q72-D77 WeakPolarHBondContact CA-OD2 3.47Å; Q72-D77 HydrophobicContact CB-CB 4.3Å; Q72-D77 WeakPolarHBondContact O-CB 3.48Å
73F94.4Very high88.5Confident0 Ų059.6 Ų59.60%032%0.318CS..  trans-71.670.4169.8-167-96.6000111.4L29 A70 Q71 L78 I95 I101 K105 V110 T113 L114L29-F73 HydrophobicContact CD1-CD2 4.3Å; L29-F73 HydrophobicContact CD1-CE2 4.36Å; A70-F73 WeakPolarHBondContact O-CB 3.28Å; A70-F73 PolarHBondContact O-N 3.3Å; Q71-F73 PolarHBondContact O-N 3.01Å; F73-L78 HydrophobicContact CD2-CD1 3.75Å; F73-L78 HydrophobicContact CD2-CD2 4.48Å; F73-L78 HydrophobicContact CE2-CD1 3.68Å; F73-L78 HydrophobicContact CG-CD1 4.3Å; F73-L78 HydrophobicContact CZ-CD1 4.18Å; F73-I95 HydrophobicContact CE2-CD1 3.76Å; F73-I95 HydrophobicContact CZ-CD1 4.07Å; F73-I101 HydrophobicContact CB-CG2 4.05Å; F73-I101 HydrophobicContact CD1-CG2 3.55Å; F73-I101 HydrophobicContact CD2-CD1 3.46Å; F73-I101 VanDerWaalsContact CD2-CD1 3.46Å; F73-I101 HydrophobicContact CD2-CG1 4.16Å; F73-I101 HydrophobicContact CD2-CG2 4.28Å; F73-I101 HydrophobicContact CE1-CG2 4.05Å; F73-I101 HydrophobicContact CE2-CD1 3.52Å; F73-I101 HydrophobicContact CG-CD1 4.02Å; F73-I101 HydrophobicContact CG-CG1 4.29Å; F73-I101 HydrophobicContact CG-CG2 3.68Å; F73-I101 HydrophobicContact CZ-CD1 4.1Å; F73-K105 HydrophobicContact CB-CD 4.22Å; F73-K105 PolarHBondContact O-NZ 2.71Å; F73-V110 HydrophobicContact CE1-CG1 4.02Å; F73-T113 HydrophobicContact CD1-CG2 4.15Å; F73-T113 HydrophobicContact CE1-CG2 3.86Å; F73-T113 HydrophobicContact CZ-CG2 4.39Å; F73-L114 HydrophobicContact CZ-CD2 3.96Å; F73-L114 HydrophobicContact CZ-CG 4.28Å
74S94.3Very high88.2Confident30 Ų3062.6 Ų62.621%0.2133%0.325CS..SBendtrans-127.4163.3-179.484.20000109.9Q72 E76 D77 L78Q72-S74 PolarHBondContact O-N 3.38Å; S74-E76 VanDerWaalsContact C-N 3.31Å; S74-E76 PolarHBondContact O-N 2.93Å; S74-D77 WeakPolarHBondContact OG-CB 3.29Å; S74-D77 VanDerWaalsContact OG-CG 3.23Å; S74-D77 PolarHBondContact OG-N 3.3Å; S74-D77 PolarHBondContact OG-OD2 3.46Å; S74-L78 VanDerWaalsContact O-CB 3.28Å; S74-L78 WeakPolarHBondContact O-CB 3.3Å; S74-L78 WeakPolarHBondContact O-CD1 3.41Å; S74-L78 WeakPolarHBondContact O-CG 3.32Å; S74-L78 PolarHBondContact O-N 2.93Å; S74-L78 VanDerWaalsContact O-N 3.16Å
75L93.8Very high88.1Confident55 Ų5561.3 Ų61.329%0.28831%0.306SS..Hα-helixtrans-61.3-43.1178.3178.165.7000111.5T79 Q116 L117L75-T79 WeakPolarHBondContact O-CB 3.18Å; L75-T79 PolarHBondContact O-N 2.92Å; L75-T79 PolarHBondContact O-OG1 3.42Å; L75-Q116 HydrophobicContact CD1-CB 3.83Å; L75-Q116 HydrophobicContact CD2-CB 3.89Å; L75-Q116 HydrophobicContact CD2-CG 4.42Å; L75-Q116 HydrophobicContact CG-CB 4.32Å; L75-L117 HydrophobicContact CD1-CD2 3.78Å; L75-L117 HydrophobicContact CD1-CG 3.9Å
76E92.7Very high87.6Confident148 Ų14859 Ų5969%0.69231%0.31SS*.Hα-helixtrans-67.1-51.2-174.7-65.5177.2-172.100110.7S74 L78 T79 N80S74-E76 VanDerWaalsContact C-N 3.31Å; S74-E76 PolarHBondContact O-N 2.93Å; E76-L78 PolarHBondContact O-N 3Å; E76-T79 PolarHBondContact O-N 3.47Å; E76-N80 WeakPolarHBondContact O-CB 3.44Å; E76-N80 PolarHBondContact O-N 3.24Å; E76-N80 PolarHBondContact O-ND2 3.39Å
77D93.1Very high87.2Confident62 Ų6261 Ų6133%0.33232%0.315SS..Hα-helixtrans-61.2-46.8-179.8-64.3-47.7000111.6Q72 S74 T79 N80 L81Q72-D77 WeakPolarHBondContact CA-OD2 3.47Å; Q72-D77 HydrophobicContact CB-CB 4.3Å; Q72-D77 WeakPolarHBondContact O-CB 3.48Å; S74-D77 WeakPolarHBondContact OG-CB 3.29Å; S74-D77 VanDerWaalsContact OG-CG 3.23Å; S74-D77 PolarHBondContact OG-N 3.3Å; S74-D77 PolarHBondContact OG-OD2 3.46Å; D77-T79 VanDerWaalsContact C-N 3.33Å; D77-T79 PolarHBondContact O-N 2.83Å; D77-N80 PolarHBondContact O-N 3.44Å; D77-L81 WeakPolarHBondContact O-CB 3.37Å; D77-L81 PolarHBondContact O-N 3.45Å
78L93.6Very high86.7Confident1 Ų161.6 Ų61.61%0.00533%0.325CS..Hα-helixtrans-66.6-36179.5-68.2171000112L29 F68 F73 S74 E76 V82 L93 T113 L117L29-L78 HydrophobicContact CD1-CD2 3.69Å; L29-L78 HydrophobicContact CD2-CD2 4.41Å; F68-L78 HydrophobicContact CE2-CD2 3.94Å; F68-L78 HydrophobicContact CZ-CD2 3.65Å; F68-L78 HydrophobicContact CZ-CG 4.42Å; F73-L78 HydrophobicContact CD2-CD1 3.75Å; F73-L78 HydrophobicContact CD2-CD2 4.48Å; F73-L78 HydrophobicContact CE2-CD1 3.68Å; F73-L78 HydrophobicContact CG-CD1 4.3Å; F73-L78 HydrophobicContact CZ-CD1 4.18Å; S74-L78 VanDerWaalsContact O-CB 3.28Å; S74-L78 WeakPolarHBondContact O-CB 3.3Å; S74-L78 WeakPolarHBondContact O-CD1 3.41Å; S74-L78 WeakPolarHBondContact O-CG 3.32Å; S74-L78 PolarHBondContact O-N 2.93Å; S74-L78 VanDerWaalsContact O-N 3.16Å; E76-L78 PolarHBondContact O-N 3Å; L78-V82 VanDerWaalsContact O-CG2 3.31Å; L78-V82 WeakPolarHBondContact O-CG2 3.25Å; L78-V82 PolarHBondContact O-N 3.27Å; L78-V82 VanDerWaalsContact O-N 3.1Å; L78-L93 HydrophobicContact CD2-CD2 4.45Å; L78-T113 HydrophobicContact CD1-CG2 3.99Å; L78-L117 HydrophobicContact CB-CD1 4.4Å; L78-L117 HydrophobicContact CB-CD2 3.96Å; L78-L117 HydrophobicContact CD1-CD1 3.61Å
79T91.7Very high86.3Confident21 Ų2168.9 Ų68.913%0.12936%0.357CS..Hα-helixtrans-69.1-41175.7-61.20000111.2L75 E76 D77 V82 K83 A122L75-T79 WeakPolarHBondContact O-CB 3.18Å; L75-T79 PolarHBondContact O-N 2.92Å; L75-T79 PolarHBondContact O-OG1 3.42Å; E76-T79 PolarHBondContact O-N 3.47Å; D77-T79 VanDerWaalsContact C-N 3.33Å; D77-T79 PolarHBondContact O-N 2.83Å; T79-V82 PolarHBondContact O-N 3.5Å; T79-K83 HydrophobicContact CG2-CD 3.83Å; T79-K83 VanDerWaalsContact CG2-CE 3.43Å; T79-K83 HydrophobicContact CG2-CG 4.35Å; T79-K83 VanDerWaalsContact O-CB 3.32Å; T79-K83 WeakPolarHBondContact O-CB 3.28Å; T79-K83 VanDerWaalsContact O-CG 3.22Å; T79-K83 WeakPolarHBondContact O-CG 3.3Å; T79-K83 PolarHBondContact O-N 3.16Å; T79-A122 HydrophobicContact CG2-CB 3.95Å
80N90.5Very high86.1Confident87 Ų8771.9 Ų71.947%0.46538%0.376SS..Hα-helixtrans-64.3-44.8176.6-70.8-23.5000110.9E76 D77 V82 K83 Q84E76-N80 WeakPolarHBondContact O-CB 3.44Å; E76-N80 PolarHBondContact O-N 3.24Å; E76-N80 PolarHBondContact O-ND2 3.39Å; D77-N80 PolarHBondContact O-N 3.44Å; N80-V82 VanDerWaalsContact C-N 3.33Å; N80-V82 PolarHBondContact O-N 2.82Å; N80-K83 PolarHBondContact O-N 2.99Å; N80-K83 VanDerWaalsContact O-N 3.16Å; N80-Q84 WeakPolarHBondContact O-CG 3.32Å; N80-Q84 PolarHBondContact O-N 3.35Å
81L90.2Very high86.2Confident15 Ų1572 Ų728%0.07938%0.378CS..Hα-helixtrans-58.8-41.2177.7179.6153.6000112.4H27 L29 H53 F68 D77H27-L81 HydrophobicContact CB-CD2 4.2Å; H27-L81 PolarHBondContact CE1-O 3.29Å; L29-L81 HydrophobicContact CD2-CD1 4.16Å; H53-L81 HydrophobicContact CB-CD1 4.29Å; H53-L81 VanDerWaalsContact CE1-CG 3.45Å; H53-L81 WeakPolarHBondContact CE1-CG 3.29Å; H53-L81 WeakPolarHBondContact ND1-CD1 3.47Å; H53-L81 WeakPolarHBondContact NE2-CD2 3.39Å; F68-L81 HydrophobicContact CD2-CD1 3.6Å; F68-L81 HydrophobicContact CE2-CD1 3.84Å; D77-L81 WeakPolarHBondContact O-CB 3.37Å; D77-L81 PolarHBondContact O-N 3.45Å
82V88.8Confident86.4Confident11 Ų1166.8 Ų66.87%0.06735%0.354CS..Hα-helixtrans-76.7-28.81771750000112.6L78 T79 N80 T85 A91 A122 V123L78-V82 VanDerWaalsContact O-CG2 3.31Å; L78-V82 WeakPolarHBondContact O-CG2 3.25Å; L78-V82 PolarHBondContact O-N 3.27Å; L78-V82 VanDerWaalsContact O-N 3.1Å; T79-V82 PolarHBondContact O-N 3.5Å; N80-V82 VanDerWaalsContact C-N 3.33Å; N80-V82 PolarHBondContact O-N 2.82Å; V82-T85 PolarHBondContact O-OG1 2.81Å; V82-A91 HydrophobicContact CG1-CB 3.75Å; V82-A122 WeakPolarHBondContact CG1-O 3.44Å; V82-V123 HydrophobicContact CG1-CG1 4.21Å; V82-V123 HydrophobicContact CG2-CG1 3.92Å
83K85.6Confident86.6Confident143 Ų14363.8 Ų63.862%0.62234%0.34SS*.Hα-helixtrans-79.7-24.3179.7-78.1178.1179.2176.90114.2T79 N80 T85T79-K83 HydrophobicContact CG2-CD 3.83Å; T79-K83 VanDerWaalsContact CG2-CE 3.43Å; T79-K83 HydrophobicContact CG2-CG 4.35Å; T79-K83 VanDerWaalsContact O-CB 3.32Å; T79-K83 WeakPolarHBondContact O-CB 3.28Å; T79-K83 VanDerWaalsContact O-CG 3.22Å; T79-K83 WeakPolarHBondContact O-CG 3.3Å; T79-K83 PolarHBondContact O-N 3.16Å; N80-K83 PolarHBondContact O-N 2.99Å; N80-K83 VanDerWaalsContact O-N 3.16Å; K83-T85 PolarHBondContact O-N 3.01Å
84Q78.9Confident86.8Confident159 Ų15963.9 Ų63.974%0.74334%0.34SS*.SBendtrans-59.1-26.1178.3-80.2172.315.400112.5N80 S86N80-Q84 WeakPolarHBondContact O-CG 3.32Å; N80-Q84 PolarHBondContact O-N 3.35Å; Q84-S86 PolarHBondContact O-N 3.06Å
85T72.8Confident86.9Confident28 Ų2862.4 Ų62.417%0.17233%0.33CS..SBendtrans-90.1105.4176.248.40000109.4H27 H51 V82 K83 H87H27-T85 PolarHBondContact CE1-OG1 3.38Å; H27-T85 PolarHBondContact NE2-OG1 3.46Å; H51-T85 VanDerWaalsContact CE1-CG2 3.47Å; H51-T85 WeakPolarHBondContact CE1-CG2 3.36Å; H51-T85 WeakPolarHBondContact NE2-CG2 3.47Å; V82-T85 PolarHBondContact O-OG1 2.81Å; K83-T85 PolarHBondContact O-N 3.01Å; T85-H87 VanDerWaalsContact C-N 3.25Å; T85-H87 PolarHBondContact O-N 3.25Å
86S63.5Low87Confident123 Ų12360 Ų6086%0.8632%0.318SS*.  trans-71.173.3-173.5-169.90000112.1Q84Q84-S86 PolarHBondContact O-N 3.06Å
87H72.6Confident87.1Confident83 Ų8353 Ų5338%0.38429%0.285SS..  trans-115.4142.8177.5-71.7-66.9000112.3V25 H51 T85 K89V25-H87 HydrophobicContact CG2-CB 3.89Å; V25-H87 VanDerWaalsContact CG2-CD2 3.48Å; V25-H87 WeakPolarHBondContact CG2-CD2 3.35Å; V25-H87 VanDerWaalsContact CG2-CG 3.5Å; H51-H87 AromaticContact NE2-NE2 3.95Å; T85-H87 VanDerWaalsContact C-N 3.25Å; T85-H87 PolarHBondContact O-N 3.25Å; H87-K89 VanDerWaalsContact C-N 3.28Å; H87-K89 PolarHBondContact O-N 3Å
88P73.6Confident87.3Confident131 Ų13150.6 Ų50.685%0.85127%0.272SS*.SBendtrans-74.3-14.9-174.728.3-34.7000114.1
89K81.4Confident87.4Confident158 Ų15850.6 Ų50.669%0.68727%0.272SS*.SBendtrans-112.2144.6-177.6-67.1178.2-176.6169.60110.4H87 A91H87-K89 VanDerWaalsContact C-N 3.28Å; H87-K89 PolarHBondContact O-N 3Å; K89-A91 PolarHBondContact O-N 2.8Å
90P85.3Confident87.5Confident74 Ų7451 Ų5148%0.48127%0.271SS..PPolyproline II helixtrans-60.5134.6174.6-19.830.9000111.5R124P90-R124 HydrophobicContact CB-CB 4.13Å
91A92.1Very high87.8Confident4 Ų446.9 Ų46.93%0.03325%0.249CC..EExtended strand (participates in β ladder)trans-79.1163.1-175.900000113.1V25 V82 K89 V123 R124V25-A91 HydrophobicContact CB-CB 4.16Å; V25-A91 HydrophobicContact CG1-CB 4.06Å; V25-A91 WeakPolarHBondContact O-CA 3.43Å; V25-A91 WeakPolarHBondContact O-CB 3.47Å; V82-A91 HydrophobicContact CG1-CB 3.75Å; K89-A91 PolarHBondContact O-N 2.8Å; A91-V123 CarbonylContact O-C 3.51Å; A91-V123 WeakPolarHBondContact O-CA 3.5Å; A91-R124 PolarHBondContact O-N 2.86Å
92V94.5Very high88Confident6 Ų646.8 Ų46.84%0.03625%0.249CC..EExtended strand (participates in β ladder)trans-92.6124.3168.4-179.90000108.6E24 V25 I26 H27 V94 A125 I127E24-V92 HydrophobicContact CB-CG2 4.49Å; V25-V92 PolarHBondContact O-N 3.08Å; I26-V92 WeakPolarHBondContact CA-O 3.37Å; H27-V92 PolarHBondContact N-O 3.13Å; V92-V94 HydrophobicContact CG1-CG2 4.21Å; V92-A125 HydrophobicContact CG1-CB 4.46Å; V92-I127 HydrophobicContact CG1-CD1 4.05Å; V92-I127 HydrophobicContact CG1-CG1 4.34Å
93L96.1Very high88.3Confident0 Ų054.1 Ų54.10%028%0.275CS..EExtended strand (participates in β ladder)trans-94.8123.6173.7179.765.6000109.4H27 L29 L78 I95 L117 V123 A125 V126 I127H27-L93 HydrophobicContact CB-CD1 4.07Å; H27-L93 CarbonylContact O-C 3.57Å; L29-L93 HydrophobicContact CD1-CD1 4.38Å; L29-L93 HydrophobicContact CD2-CD1 4.39Å; L29-L93 HydrophobicContact CG-CD1 4.07Å; L78-L93 HydrophobicContact CD2-CD2 4.45Å; L93-I95 HydrophobicContact CD2-CD1 4.49Å; L93-I95 HydrophobicContact CG-CG1 4.33Å; L93-L117 HydrophobicContact CD2-CD1 4.21Å; L93-V123 HydrophobicContact CB-CG1 4.01Å; L93-A125 PolarHBondContact N-O 3.11Å; L93-V126 HydrophobicContact CB-CG2 4.37Å; L93-V126 HydrophobicContact CD2-CG1 4.33Å; L93-V126 HydrophobicContact CD2-CG2 4.39Å; L93-V126 CarbonylContact O-C 3.53Å; L93-V126 VanDerWaalsContact O-CA 3.28Å; L93-V126 WeakPolarHBondContact O-CA 3.39Å; L93-I127 PolarHBondContact O-N 3.33Å
94V97.1Very high88.6Confident2 Ų250.1 Ų50.11%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-111.5134175.2-176.40000108.7L12 I16 I26 H27 V28 L29 V92 I127L12-V94 HydrophobicContact CD1-CG1 3.8Å; L12-V94 HydrophobicContact CD2-CG1 4.02Å; L12-V94 HydrophobicContact CG-CG1 3.99Å; I16-V94 HydrophobicContact CD1-CG1 4.18Å; I16-V94 HydrophobicContact CG1-CG1 4.28Å; I16-V94 HydrophobicContact CG1-CG2 4.2Å; I26-V94 HydrophobicContact CG2-CB 4.49Å; I26-V94 HydrophobicContact CG2-CG2 3.67Å; H27-V94 PolarHBondContact O-N 2.91Å; V28-V94 CarbonylContact C-O 3.52Å; V28-V94 WeakPolarHBondContact CA-O 3.21Å; V28-V94 HydrophobicContact CB-CB 4.43Å; V28-V94 HydrophobicContact CG1-CB 4.16Å; V28-V94 HydrophobicContact CG1-CG1 4.13Å; V28-V94 HydrophobicContact CG2-CB 4.12Å; L29-V94 PolarHBondContact N-O 3.18Å; V92-V94 HydrophobicContact CG1-CG2 4.21Å; V94-I127 CarbonylContact C-O 3.58Å; V94-I127 VanDerWaalsContact CA-O 3.3Å; V94-I127 WeakPolarHBondContact CA-O 3.17Å; V94-I127 HydrophobicContact CG2-CB 4.41Å
95I97.1Very high89.3Confident0 Ų044.4 Ų44.40%023%0.231CC..EExtended strand (participates in β ladder)trans-122.5109.4178.1-53.5167.9000106.3L29 F73 L93 S97 L98 I101 L114 V126 I127 G128 L129L29-I95 HydrophobicContact CD1-CG1 4.13Å; F73-I95 HydrophobicContact CE2-CD1 3.76Å; F73-I95 HydrophobicContact CZ-CD1 4.07Å; L93-I95 HydrophobicContact CD2-CD1 4.49Å; L93-I95 HydrophobicContact CG-CG1 4.33Å; I95-S97 PolarHBondContact O-N 3.09Å; I95-L98 HydrophobicContact CB-CD2 4.35Å; I95-L98 HydrophobicContact CB-CG 4.48Å; I95-L98 HydrophobicContact CD1-CD2 3.71Å; I95-L98 HydrophobicContact CG2-CD2 4Å; I95-L98 HydrophobicContact CG2-CG 4.2Å; I95-I101 HydrophobicContact CG2-CD1 3.65Å; I95-L114 HydrophobicContact CD1-CD2 4.15Å; I95-V126 HydrophobicContact CD1-CG1 3.85Å; I95-V126 HydrophobicContact CG1-CG1 4.5Å; I95-I127 PolarHBondContact N-O 3.34Å; I95-G128 WeakPolarHBondContact O-CA 3.4Å; I95-L129 PolarHBondContact O-N 3.11Å
96D95.8Very high90.3Very high5 Ų547.3 Ų47.33%0.02725%0.249CC..SBendtrans-67.4-24.4-17676.6-27.9000113.4L12 L29 C30 F31 D32 V33 L129L12-D96 HydrophobicContact CD2-CB 4.16Å; L29-D96 VanDerWaalsContact O-CG 3.32Å; L29-D96 PolarHBondContact O-N 3.4Å; L29-D96 VanDerWaalsContact O-N 3.1Å; C30-D96 VanDerWaalsContact CA-CG 3.5Å; C30-D96 WeakPolarHBondContact CA-OD2 3.2Å; F31-D96 PolarHBondContact N-OD1 3.49Å; F31-D96 PolarHBondContact N-OD2 3.03Å; D32-D96 PolarHBondContact N-OD2 3.12Å; V33-D96 PolarHBondContact N-OD2 3.46Å; D96-L129 VanDerWaalsContact O-CB 3.3Å; D96-L129 WeakPolarHBondContact O-CB 3.4Å; D96-L129 WeakPolarHBondContact O-CD2 3.32Å
97S95.6Very high91.7Very high0 Ų043.2 Ų43.20%022%0.22CC..  trans-15194.6175.8-164.50000112D32 I95 S99 W100D32-S97 WeakPolarHBondContact OD1-CB 3.4Å; D32-S97 PolarHBondContact OD1-OG 3.37Å; D32-S97 WeakPolarHBondContact OD2-CB 3.44Å; D32-S97 PolarHBondContact OD2-OG 3.39Å; I95-S97 PolarHBondContact O-N 3.09Å; S97-S99 PolarHBondContact O-N 3.48Å; S97-W100 PolarHBondContact O-N 2.94Å; S97-W100 PolarHBondContact OG-N 2.81Å
98L96.3Very high92.8Very high12 Ų1243.6 Ų43.66%0.06323%0.229CC..Hα-helixtrans-61.7-26.4165.2-75.5173.7000111.4I95 W100 I101 L102 L114 L129 L130 V143I95-L98 HydrophobicContact CB-CD2 4.35Å; I95-L98 HydrophobicContact CB-CG 4.48Å; I95-L98 HydrophobicContact CD1-CD2 3.71Å; I95-L98 HydrophobicContact CG2-CD2 4Å; I95-L98 HydrophobicContact CG2-CG 4.2Å; L98-W100 VanDerWaalsContact C-N 3.26Å; L98-W100 PolarHBondContact O-N 2.86Å; L98-I101 HydrophobicContact CD2-CD1 4.27Å; L98-I101 PolarHBondContact O-N 3.16Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 3.48Å; L98-L114 HydrophobicContact CD2-CD1 4.33Å; L98-L129 VanDerWaalsContact CB-O 3.32Å; L98-L129 WeakPolarHBondContact CB-O 3.49Å; L98-L129 PolarHBondContact N-O 2.92Å; L98-L130 HydrophobicContact CB-CD1 4.3Å; L98-V143 HydrophobicContact CD1-CG1 4.37Å
99S96Very high93.9Very high0 Ų039 Ų390%020%0.202CC..Hα-helixtrans-61.4-37.6178.7-750000112.4S97 L102 R103 H131 H135S97-S99 PolarHBondContact O-N 3.48Å; S99-L102 PolarHBondContact O-N 3.12Å; S99-R103 PolarHBondContact O-N 3.36Å; S99-H131 WeakPolarHBondContact OG-CB 3.49Å; S99-H131 PolarHBondContact OG-N 3.3Å; S99-H131 PolarHBondContact OG-O 2.83Å; S99-H135 WeakPolarHBondContact CA-NE2 3.2Å; S99-H135 VanDerWaalsContact CB-NE2 3.29Å; S99-H135 WeakPolarHBondContact CB-NE2 3.22Å; S99-H135 PolarHBondContact OG-CD2 3.26Å; S99-H135 PolarHBondContact OG-NE2 2.97Å
100W94.6Very high94.6Very high31 Ų3131.4 Ų31.412%0.11717%0.169CC..Hα-helixtrans-65.9-41.9177.9-160.4102.4000111.8F31 P59 L60 A70 S97 L98 R103 H104F31-W100 HydrophobicContact CB-CB 3.82Å; F31-W100 HydrophobicContact CB-CD2 4.33Å; F31-W100 HydrophobicContact CB-CG 3.89Å; F31-W100 HydrophobicContact CD1-CB 4.35Å; F31-W100 AromaticContact CD1-CD2 3.56Å; F31-W100 HydrophobicContact CD1-CD2 3.56Å; F31-W100 AromaticContact CD1-CE3 3.14Å; F31-W100 HydrophobicContact CD1-CE3 3.14Å; F31-W100 HydrophobicContact CD1-CG 4.01Å; F31-W100 AromaticContact CD1-CZ3 3.64Å; F31-W100 HydrophobicContact CD1-CZ3 3.64Å; F31-W100 HydrophobicContact CE1-CD2 4.18Å; F31-W100 AromaticContact CE1-CE3 3.29Å; F31-W100 HydrophobicContact CE1-CE3 3.29Å; F31-W100 AromaticContact CE1-CZ3 3.42Å; F31-W100 HydrophobicContact CE1-CZ3 3.42Å; F31-W100 VanDerWaalsContact CE1-CZ3 3.42Å; F31-W100 HydrophobicContact CG-CB 4.11Å; F31-W100 HydrophobicContact CG-CD2 4.2Å; F31-W100 AromaticContact CG-CE3 4Å; F31-W100 HydrophobicContact CG-CE3 4Å; F31-W100 HydrophobicContact CG-CG 4.18Å; F31-W100 HydrophobicContact CZ-CE3 4.23Å; F31-W100 HydrophobicContact CZ-CZ3 4.47Å; P59-W100 HydrophobicContact CB-CD2 4.41Å; P59-W100 HydrophobicContact CB-CE3 4.43Å; P59-W100 HydrophobicContact CB-CH2 3.36Å; P59-W100 HydrophobicContact CB-CZ2 3.29Å; P59-W100 HydrophobicContact CB-CZ3 3.84Å; P59-W100 HydrophobicContact CG-CH2 4Å; P59-W100 HydrophobicContact CG-CZ2 3.46Å; P59-W100 VanDerWaalsContact CG-CZ2 3.46Å; P59-W100 VanDerWaalsContact O-CH2 3.26Å; P59-W100 WeakPolarHBondContact O-CH2 3.39Å; L60-W100 HydrophobicContact CD2-CH2 3.63Å; L60-W100 HydrophobicContact CD2-CZ2 4.14Å; L60-W100 HydrophobicContact CG-CH2 3.98Å; L60-W100 HydrophobicContact CG-CZ2 4.11Å; A70-W100 HydrophobicContact CB-CE3 4.03Å; A70-W100 HydrophobicContact CB-CH2 3.52Å; A70-W100 HydrophobicContact CB-CZ3 3.03Å; S97-W100 PolarHBondContact O-N 2.94Å; S97-W100 PolarHBondContact OG-N 2.81Å; L98-W100 VanDerWaalsContact C-N 3.26Å; L98-W100 PolarHBondContact O-N 2.86Å; W100-R103 WeakPolarHBondContact O-CB 3.46Å; W100-R103 PolarHBondContact O-N 3.17Å; W100-H104 AromaticContact CD2-CE1 3.91Å; W100-H104 AromaticContact CD2-ND1 3.88Å; W100-H104 AromaticContact CE2-CE1 3.47Å; W100-H104 VanDerWaalsContact CE2-CE1 3.47Å; W100-H104 AromaticContact CE2-ND1 3.9Å; W100-H104 AromaticContact CE3-ND1 3.75Å; W100-H104 AromaticContact CH2-CE1 3.39Å; W100-H104 WeakPolarHBondContact CH2-CE1 3.45Å; W100-H104 AromaticContact CH2-ND1 3.44Å; W100-H104 WeakPolarHBondContact CH2-ND1 3.29Å; W100-H104 AromaticContact CH2-NE2 3.99Å; W100-H104 AromaticContact CZ2-CE1 3.11Å; W100-H104 WeakPolarHBondContact CZ2-CE1 3.44Å; W100-H104 AromaticContact CZ2-ND1 3.62Å; W100-H104 AromaticContact CZ2-NE2 3.8Å; W100-H104 AromaticContact CZ3-ND1 3.63Å; W100-H104 PolarHBondContact O-ND1 3.33Å
101I95.4Very high95.1Very high0 Ų029 Ų290%015%0.153CC..Hα-helixtrans-66-44.6176-62.1156.9000111.1F31 F73 I95 L98 R103 H104 K105 V110F31-I101 HydrophobicContact CD2-CG1 4.49Å; F31-I101 HydrophobicContact CE2-CD1 3.87Å; F31-I101 HydrophobicContact CE2-CG1 3.87Å; F31-I101 HydrophobicContact CZ-CD1 4.37Å; F31-I101 HydrophobicContact CZ-CG1 3.96Å; F73-I101 HydrophobicContact CB-CG2 4.05Å; F73-I101 HydrophobicContact CD1-CG2 3.55Å; F73-I101 HydrophobicContact CD2-CD1 3.46Å; F73-I101 VanDerWaalsContact CD2-CD1 3.46Å; F73-I101 HydrophobicContact CD2-CG1 4.16Å; F73-I101 HydrophobicContact CD2-CG2 4.28Å; F73-I101 HydrophobicContact CE1-CG2 4.05Å; F73-I101 HydrophobicContact CE2-CD1 3.52Å; F73-I101 HydrophobicContact CG-CD1 4.02Å; F73-I101 HydrophobicContact CG-CG1 4.29Å; F73-I101 HydrophobicContact CG-CG2 3.68Å; F73-I101 HydrophobicContact CZ-CD1 4.1Å; I95-I101 HydrophobicContact CG2-CD1 3.65Å; L98-I101 HydrophobicContact CD2-CD1 4.27Å; L98-I101 PolarHBondContact O-N 3.16Å; I101-R103 PolarHBondContact O-N 2.91Å; I101-R103 VanDerWaalsContact O-N 3.16Å; I101-H104 PolarHBondContact O-N 3.23Å; I101-K105 PolarHBondContact O-N 3.38Å; I101-V110 HydrophobicContact CG2-CG2 3.77Å
102L95.5Very high95.3Very high13 Ų1333.9 Ų33.97%0.06818%0.176CC..Hα-helixtrans-63-18.9179.2-74.5166.1000113.6L98 S99 K105 P107 V110 L130 H135 T139 V143L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 3.48Å; S99-L102 PolarHBondContact O-N 3.12Å; L102-K105 VanDerWaalsContact O-O 3.14Å; L102-P107 HydrophobicContact CD2-CB 4.3Å; L102-P107 HydrophobicContact CD2-CG 4.48Å; L102-V110 HydrophobicContact CD2-CB 3.99Å; L102-V110 HydrophobicContact CD2-CG1 4.08Å; L102-V110 HydrophobicContact CD2-CG2 3.93Å; L102-L130 HydrophobicContact CD1-CD1 3.53Å; L102-H135 WeakPolarHBondContact CB-CE1 3.21Å; L102-T139 HydrophobicContact CD1-CG2 4.41Å; L102-T139 HydrophobicContact CD2-CG2 4.18Å; L102-V143 HydrophobicContact CD1-CG2 4.11Å; L102-V143 HydrophobicContact CD2-CG2 3.97Å
103R93.8Very high95.3Very high164 Ų16434.3 Ų34.362%0.61918%0.178SC*.Hα-helixtrans-75-27.9173.1-177.3176.3-71.2-177.7-3.6112.8S99 W100 I101S99-R103 PolarHBondContact O-N 3.36Å; W100-R103 WeakPolarHBondContact O-CB 3.46Å; W100-R103 PolarHBondContact O-N 3.17Å; I101-R103 PolarHBondContact O-N 2.91Å; I101-R103 VanDerWaalsContact O-N 3.16Å
104H92.4Very high95.3Very high60 Ų6035.2 Ų35.228%0.27818%0.183SC..Hα-helixtrans-110.9-15.9-172.9-59.792.9000113.4A70 W100 I101A70-H104 HydrophobicContact CB-CB 3.71Å; W100-H104 AromaticContact CD2-CE1 3.91Å; W100-H104 AromaticContact CD2-ND1 3.88Å; W100-H104 AromaticContact CE2-CE1 3.47Å; W100-H104 VanDerWaalsContact CE2-CE1 3.47Å; W100-H104 AromaticContact CE2-ND1 3.9Å; W100-H104 AromaticContact CE3-ND1 3.75Å; W100-H104 AromaticContact CH2-CE1 3.39Å; W100-H104 WeakPolarHBondContact CH2-CE1 3.45Å; W100-H104 AromaticContact CH2-ND1 3.44Å; W100-H104 WeakPolarHBondContact CH2-ND1 3.29Å; W100-H104 AromaticContact CH2-NE2 3.99Å; W100-H104 AromaticContact CZ2-CE1 3.11Å; W100-H104 WeakPolarHBondContact CZ2-CE1 3.44Å; W100-H104 AromaticContact CZ2-ND1 3.62Å; W100-H104 AromaticContact CZ2-NE2 3.8Å; W100-H104 AromaticContact CZ3-ND1 3.63Å; W100-H104 PolarHBondContact O-ND1 3.33Å; I101-H104 PolarHBondContact O-N 3.23Å
105K93.6Very high95.1Very high39 Ų3938.7 Ų38.717%0.1720%0.199CC..SBendtrans-125.8148177.2-74-172.3164.6166.50111.2A70 Q71 F73 I101 L102 V110A70-K105 VanDerWaalsContact O-CE 3.28Å; A70-K105 WeakPolarHBondContact O-CE 3.39Å; A70-K105 PolarHBondContact O-NZ 3.29Å; A70-K105 VanDerWaalsContact O-NZ 3.07Å; Q71-K105 PolarHBondContact O-NZ 3.21Å; F73-K105 HydrophobicContact CB-CD 4.22Å; F73-K105 PolarHBondContact O-NZ 2.71Å; I101-K105 PolarHBondContact O-N 3.38Å; L102-K105 VanDerWaalsContact O-O 3.14Å; K105-V110 HydrophobicContact CB-CG2 3.78Å
106T93.5Very high95Very high89 Ų8942 Ų4255%0.54622%0.215SC..  trans-65.2143.1178.665.80000110.2P108 A109 V110T106-P108 VanDerWaalsContact C-CD 3.44Å; T106-P108 VanDerWaalsContact C-N 3.32Å; T106-A109 WeakPolarHBondContact O-CB 3.33Å; T106-A109 PolarHBondContact O-N 3.42Å; T106-A109 WeakPolarHBondContact OG1-CB 3.48Å; T106-V110 PolarHBondContact O-N 3.25Å; T106-V110 VanDerWaalsContact O-N 3.12Å
107P94.3Very high94.8Very high37 Ų3741.9 Ų41.924%0.2421%0.214CC..Hα-helixtrans-53.7-40.2179.2-25.533.1000114.3L102 A109 V110 C111 T139L102-P107 HydrophobicContact CD2-CB 4.3Å; L102-P107 HydrophobicContact CD2-CG 4.48Å; P107-A109 PolarHBondContact O-N 3.25Å; P107-V110 PolarHBondContact O-N 2.69Å; P107-C111 WeakPolarHBondContact O-CB 3.47Å; P107-C111 PolarHBondContact O-N 3.13Å; P107-C111 PolarHBondContact O-SG 3.48Å; P107-C111 VanDerWaalsContact O-SG 3.33Å; P107-T139 HydrophobicContact CB-CG2 4.02Å; P107-T139 HydrophobicContact CG-CG2 3.68Å
108P95.3Very high94.5Very high91 Ų9148 Ų4859%0.59124%0.237SC*.Hα-helixtrans-60.9-40.8174.9-24.836.1000113.3T106 C111 Q112T106-P108 VanDerWaalsContact C-CD 3.44Å; T106-P108 VanDerWaalsContact C-N 3.32Å; P108-C111 PolarHBondContact O-N 2.93Å; P108-Q112 VanDerWaalsContact O-CB 3.3Å; P108-Q112 WeakPolarHBondContact O-CB 3.41Å; P108-Q112 PolarHBondContact O-N 3.41Å
109A95.4Very high94.2Very high33 Ų3354.6 Ų54.627%0.27327%0.265SS..Hα-helixtrans-63.7-45178.300000111.2T106 P107 C111 Q112 T113T106-A109 WeakPolarHBondContact O-CB 3.33Å; T106-A109 PolarHBondContact O-N 3.42Å; T106-A109 WeakPolarHBondContact OG1-CB 3.48Å; P107-A109 PolarHBondContact O-N 3.25Å; A109-C111 PolarHBondContact O-N 3.3Å; A109-Q112 PolarHBondContact O-N 2.76Å; A109-T113 PolarHBondContact O-N 3.18Å; A109-T113 PolarHBondContact O-OG1 3Å; A109-T113 VanDerWaalsContact O-OG1 3.1Å
110V96.2Very high93.6Very high0 Ų057.3 Ų57.30%029%0.293CS..Hα-helixtrans-61-47.6176.61780000111F73 I101 L102 K105 T106 P107 Q112 T113 L114F73-V110 HydrophobicContact CE1-CG1 4.02Å; I101-V110 HydrophobicContact CG2-CG2 3.77Å; L102-V110 HydrophobicContact CD2-CB 3.99Å; L102-V110 HydrophobicContact CD2-CG1 4.08Å; L102-V110 HydrophobicContact CD2-CG2 3.93Å; K105-V110 HydrophobicContact CB-CG2 3.78Å; T106-V110 PolarHBondContact O-N 3.25Å; T106-V110 VanDerWaalsContact O-N 3.12Å; P107-V110 PolarHBondContact O-N 2.69Å; V110-Q112 VanDerWaalsContact C-N 3.32Å; V110-Q112 PolarHBondContact O-N 3.26Å; V110-T113 PolarHBondContact O-N 3.03Å; V110-L114 HydrophobicContact CG1-CD1 3.98Å; V110-L114 HydrophobicContact CG1-CG 4.44Å; V110-L114 WeakPolarHBondContact O-CB 3.42Å; V110-L114 VanDerWaalsContact O-CG 3.31Å; V110-L114 WeakPolarHBondContact O-CG 3.47Å; V110-L114 PolarHBondContact O-N 2.82Å
111C95.9Very high93.1Very high22 Ų2258.2 Ų58.215%0.14931%0.312CS..Hα-helixtrans-60-41.9176.9-73.60000112.1P107 P108 A109 Q115 L146P107-C111 WeakPolarHBondContact O-CB 3.47Å; P107-C111 PolarHBondContact O-N 3.13Å; P107-C111 PolarHBondContact O-SG 3.48Å; P107-C111 VanDerWaalsContact O-SG 3.33Å; P108-C111 PolarHBondContact O-N 2.93Å; A109-C111 PolarHBondContact O-N 3.3Å; C111-Q115 VanDerWaalsContact O-CB 3.27Å; C111-Q115 WeakPolarHBondContact O-CB 3.1Å; C111-Q115 PolarHBondContact O-N 3.38Å; C111-L146 HydrophobicContact CB-CD2 4.34Å; C111-L146 WeakPolarHBondContact O-CD2 3.38Å
112Q95.8Very high92.7Very high108 Ų10859.1 Ų59.151%0.50532%0.32SS..Hα-helixtrans-62.5-48.8177.7-177.8177.62.500111.2P108 A109 V110 L114 Q115 Q116P108-Q112 VanDerWaalsContact O-CB 3.3Å; P108-Q112 WeakPolarHBondContact O-CB 3.41Å; P108-Q112 PolarHBondContact O-N 3.41Å; A109-Q112 PolarHBondContact O-N 2.76Å; V110-Q112 VanDerWaalsContact C-N 3.32Å; V110-Q112 PolarHBondContact O-N 3.26Å; Q112-L114 PolarHBondContact O-N 2.88Å; Q112-Q115 PolarHBondContact O-N 3.45Å; Q112-Q116 HydrophobicContact CG-CG 4.41Å; Q112-Q116 WeakPolarHBondContact O-CB 3.43Å; Q112-Q116 VanDerWaalsContact O-CG 3.27Å; Q112-Q116 WeakPolarHBondContact O-CG 3.48Å; Q112-Q116 PolarHBondContact O-N 3.1Å
113T96.2Very high92.5Very high14 Ų1459 Ų599%0.08632%0.319CS..Hα-helixtrans-59.3-48.1177.6-58.60000111.4F73 L78 A109 V110 Q115 Q116 L117F73-T113 HydrophobicContact CD1-CG2 4.15Å; F73-T113 HydrophobicContact CE1-CG2 3.86Å; F73-T113 HydrophobicContact CZ-CG2 4.39Å; L78-T113 HydrophobicContact CD1-CG2 3.99Å; A109-T113 PolarHBondContact O-N 3.18Å; A109-T113 PolarHBondContact O-OG1 3Å; A109-T113 VanDerWaalsContact O-OG1 3.1Å; V110-T113 PolarHBondContact O-N 3.03Å; T113-Q115 VanDerWaalsContact C-N 3.33Å; T113-Q115 PolarHBondContact O-N 3.42Å; T113-Q116 PolarHBondContact O-N 2.85Å; T113-L117 HydrophobicContact CG2-CD1 4.12Å; T113-L117 WeakPolarHBondContact O-CG 3.5Å; T113-L117 PolarHBondContact O-N 3.02Å
114L95.4Very high92.4Very high19 Ų1959.4 Ų59.410%0.09932%0.321CS..Hα-helixtrans-61-40.2177.5-71.2174.8000112.3F73 I95 L98 V110 Q112 R118 V126 L146F73-L114 HydrophobicContact CZ-CD2 3.96Å; F73-L114 HydrophobicContact CZ-CG 4.28Å; I95-L114 HydrophobicContact CD1-CD2 4.15Å; L98-L114 HydrophobicContact CD2-CD1 4.33Å; V110-L114 HydrophobicContact CG1-CD1 3.98Å; V110-L114 HydrophobicContact CG1-CG 4.44Å; V110-L114 WeakPolarHBondContact O-CB 3.42Å; V110-L114 VanDerWaalsContact O-CG 3.31Å; V110-L114 WeakPolarHBondContact O-CG 3.47Å; V110-L114 PolarHBondContact O-N 2.82Å; Q112-L114 PolarHBondContact O-N 2.88Å; L114-R118 PolarHBondContact O-N 3.2Å; L114-V126 HydrophobicContact CD2-CG1 3.89Å; L114-L146 HydrophobicContact CB-CD2 3.46Å; L114-L146 VanDerWaalsContact CB-CD2 3.46Å; L114-L146 HydrophobicContact CD1-CD2 4.15Å; L114-L146 HydrophobicContact CG-CD2 4.47Å
115Q93.8Very high92.4Very high75 Ų7558.5 Ų58.535%0.3532%0.324SS..Hα-helixtrans-68.4-40.1177.4-169.5-177.210.800112C111 Q112 T113 K119 L146C111-Q115 VanDerWaalsContact O-CB 3.27Å; C111-Q115 WeakPolarHBondContact O-CB 3.1Å; C111-Q115 PolarHBondContact O-N 3.38Å; Q112-Q115 PolarHBondContact O-N 3.45Å; T113-Q115 VanDerWaalsContact C-N 3.33Å; T113-Q115 PolarHBondContact O-N 3.42Å; Q115-K119 WeakPolarHBondContact O-CG 3.23Å; Q115-K119 PolarHBondContact O-N 2.93Å; Q115-L146 HydrophobicContact CB-CD1 3.89Å; Q115-L146 HydrophobicContact CB-CD2 4.48Å; Q115-L146 HydrophobicContact CG-CD1 4.1Å
116Q94.1Very high92.6Very high71 Ų7159 Ų5933%0.33233%0.33SS..Hα-helixtrans-66.2-43.7177.1-75172.8-25.200111.3L75 Q112 T113 R118 K119 G120L75-Q116 HydrophobicContact CD1-CB 3.83Å; L75-Q116 HydrophobicContact CD2-CB 3.89Å; L75-Q116 HydrophobicContact CD2-CG 4.42Å; L75-Q116 HydrophobicContact CG-CB 4.32Å; Q112-Q116 HydrophobicContact CG-CG 4.41Å; Q112-Q116 WeakPolarHBondContact O-CB 3.43Å; Q112-Q116 VanDerWaalsContact O-CG 3.27Å; Q112-Q116 WeakPolarHBondContact O-CG 3.48Å; Q112-Q116 PolarHBondContact O-N 3.1Å; T113-Q116 PolarHBondContact O-N 2.85Å; Q116-R118 VanDerWaalsContact C-N 3.32Å; Q116-R118 PolarHBondContact O-N 2.91Å; Q116-K119 CarbonylContact O-C 3.22Å; Q116-K119 PolarHBondContact O-N 3.36Å; Q116-G120 PolarHBondContact O-N 3.01Å
117L92.4Very high92.7Very high1 Ų157 Ų571%0.00532%0.315CS..Hα-helixtrans-57.4-45.4175.3-77.1166.3000112.1L75 L78 L93 T113 K119 G120 V123L75-L117 HydrophobicContact CD1-CD2 3.78Å; L75-L117 HydrophobicContact CD1-CG 3.9Å; L78-L117 HydrophobicContact CB-CD1 4.4Å; L78-L117 HydrophobicContact CB-CD2 3.96Å; L78-L117 HydrophobicContact CD1-CD1 3.61Å; L93-L117 HydrophobicContact CD2-CD1 4.21Å; T113-L117 HydrophobicContact CG2-CD1 4.12Å; T113-L117 WeakPolarHBondContact O-CG 3.5Å; T113-L117 PolarHBondContact O-N 3.02Å; L117-K119 PolarHBondContact O-N 2.97Å; L117-G120 PolarHBondContact O-N 3.44Å; L117-V123 HydrophobicContact CB-CG2 4.13Å
118R88.3Confident92.9Very high130 Ų13056.6 Ų56.649%0.49132%0.319SS..Hα-helixtrans-60.3-33.8176.7-169.4-174.674.5-168.95.2112.6L114 Q116 L146L114-R118 PolarHBondContact O-N 3.2Å; Q116-R118 VanDerWaalsContact C-N 3.32Å; Q116-R118 PolarHBondContact O-N 2.91Å; R118-L146 PolarHBondContact NH1-O 2.89Å
119K89.5Confident93Very high149 Ų14952.7 Ų52.765%0.64829%0.293SS*.Hα-helixtrans-84.9-29.9179.5-71.6178.4179-179.60112.9Q115 Q116 L117 G121Q115-K119 WeakPolarHBondContact O-CG 3.23Å; Q115-K119 PolarHBondContact O-N 2.93Å; Q116-K119 CarbonylContact O-C 3.22Å; Q116-K119 PolarHBondContact O-N 3.36Å; L117-K119 PolarHBondContact O-N 2.97Å; K119-G121 VanDerWaalsContact C-N 3.26Å; K119-G121 PolarHBondContact O-N 3.08Å
120G84.2Confident93.1Very high57 Ų5751.5 Ų51.559%0.58828%0.281SS*.Hα-helixtrans-75.4-7.6-171.700000115.1Q116 L117 A122Q116-G120 PolarHBondContact O-N 3.01Å; L117-G120 PolarHBondContact O-N 3.44Å; G120-A122 PolarHBondContact O-N 3.08Å
121G83.6Confident93.1Very high51 Ų5152.4 Ų52.453%0.52629%0.286SS..SBendtrans70.7-5174.400000115.6K119 V123K119-G121 VanDerWaalsContact C-N 3.26Å; K119-G121 PolarHBondContact O-N 3.08Å; G121-V123 VanDerWaalsContact C-N 3.28Å; G121-V123 PolarHBondContact O-N 3.41Å
122A86.5Confident93.2Very high19 Ų1953.2 Ų53.216%0.15729%0.29CS..SBendtrans-64.2-33.717700000112.4T79 V82 G120T79-A122 HydrophobicContact CG2-CB 3.95Å; V82-A122 WeakPolarHBondContact CG1-O 3.44Å; G120-A122 PolarHBondContact O-N 3.08Å
123V92Very high93.2Very high9 Ų952 Ų526%0.05529%0.287CS..EExtended strand (participates in β ladder)trans-118.8140.7178.2-63.90000110.4V82 A91 L93 L117 G121 V126V82-V123 HydrophobicContact CG1-CG1 4.21Å; V82-V123 HydrophobicContact CG2-CG1 3.92Å; A91-V123 CarbonylContact O-C 3.51Å; A91-V123 WeakPolarHBondContact O-CA 3.5Å; L93-V123 HydrophobicContact CB-CG1 4.01Å; L117-V123 HydrophobicContact CB-CG2 4.13Å; G121-V123 VanDerWaalsContact C-N 3.28Å; G121-V123 PolarHBondContact O-N 3.41Å; V123-V126 HydrophobicContact CG2-CG2 3.84Å
124R91.7Very high93.1Very high174 Ų17455 Ų5566%0.65730%0.301SS*.EExtended strand (participates in β ladder)trans-72.3-42.1173.5177.2178.8-179162.13.8111.4E24 P90 A91E24-R124 IonicContact OE1-CZ 2.89Å; E24-R124 IonicContact OE1-NE 3.61Å; E24-R124 IonicContact OE1-NH1 3.92Å; E24-R124 PolarHBondContact OE1-NH1 3.04Å; P90-R124 HydrophobicContact CB-CB 4.13Å; A91-R124 PolarHBondContact O-N 2.86Å
125A93.7Very high93.2Very high41 Ų4156 Ų5634%0.33931%0.305SS..EExtended strand (participates in β ladder)trans-152.1152.1-176.200000110V92 L93V92-A125 HydrophobicContact CG1-CB 4.46Å; L93-A125 PolarHBondContact N-O 3.11Å
126V96.1Very high93.2Very high49 Ų4959.9 Ų59.930%0.29732%0.323SS..EExtended strand (participates in β ladder)trans-119.3124.7169.9-174.50000107.8L93 I95 L114 V123L93-V126 HydrophobicContact CB-CG2 4.37Å; L93-V126 HydrophobicContact CD2-CG1 4.33Å; L93-V126 HydrophobicContact CD2-CG2 4.39Å; L93-V126 CarbonylContact O-C 3.53Å; L93-V126 VanDerWaalsContact O-CA 3.28Å; L93-V126 WeakPolarHBondContact O-CA 3.39Å; I95-V126 HydrophobicContact CD1-CG1 3.85Å; I95-V126 HydrophobicContact CG1-CG1 4.5Å; L114-V126 HydrophobicContact CD2-CG1 3.89Å; V123-V126 HydrophobicContact CG2-CG2 3.84Å
127I97.1Very high93.3Very high46 Ų4667.8 Ų67.824%0.23635%0.35CS..EExtended strand (participates in β ladder)trans-114.1119.5175.3-54.8177.4000106.7L12 F15 V92 L93 V94 I95L12-I127 HydrophobicContact CD1-CG2 3.65Å; F15-I127 HydrophobicContact CB-CD1 4.25Å; F15-I127 HydrophobicContact CD1-CD1 4.44Å; F15-I127 HydrophobicContact CG-CD1 4.44Å; V92-I127 HydrophobicContact CG1-CD1 4.05Å; V92-I127 HydrophobicContact CG1-CG1 4.34Å; L93-I127 PolarHBondContact O-N 3.33Å; V94-I127 CarbonylContact C-O 3.58Å; V94-I127 VanDerWaalsContact CA-O 3.3Å; V94-I127 WeakPolarHBondContact CA-O 3.17Å; V94-I127 HydrophobicContact CG2-CB 4.41Å; I95-I127 PolarHBondContact N-O 3.34Å
128G96.9Very high93.4Very high30 Ų3070.2 Ų70.231%0.30938%0.375SS..EExtended strand (participates in β ladder)trans-127.4131.2-18000000111.6I95I95-G128 WeakPolarHBondContact O-CA 3.4Å
129L97.7Very high93.7Very high9 Ų965.4 Ų65.45%0.04736%0.36CS..  trans-85.7138.4170.2-178.763.8000109.6D2 R9 L12 I95 D96 L98D2-L129 HydrophobicContact CB-CD1 4.28Å; R9-L129 HydrophobicContact CG-CD2 3.87Å; L12-L129 HydrophobicContact CD2-CB 4.25Å; I95-L129 PolarHBondContact O-N 3.11Å; D96-L129 VanDerWaalsContact O-CB 3.3Å; D96-L129 WeakPolarHBondContact O-CB 3.4Å; D96-L129 WeakPolarHBondContact O-CD2 3.32Å; L98-L129 VanDerWaalsContact CB-O 3.32Å; L98-L129 WeakPolarHBondContact CB-O 3.49Å; L98-L129 PolarHBondContact N-O 2.92Å
130L97.8Very high94Very high7 Ų758.9 Ų58.94%0.03733%0.333CS..  trans-137.7112.2-174.6175.970.1000108.8R1 D2 L98 L102 T132 V140 V143R1-L130 CarbonylContact C-O 3.59Å; R1-L130 WeakPolarHBondContact CA-O 3.33Å; R1-L130 HydrophobicContact CB-CB 4.32Å; R1-L130 WeakPolarHBondContact CB-O 3.18Å; D2-L130 PolarHBondContact N-O 3.18Å; D2-L130 VanDerWaalsContact OD1-O 3.05Å; L98-L130 HydrophobicContact CB-CD1 4.3Å; L102-L130 HydrophobicContact CD1-CD1 3.53Å; L130-T132 PolarHBondContact O-N 2.91Å; L130-V140 HydrophobicContact CD2-CG1 4.17Å; L130-V143 HydrophobicContact CD2-CG1 4.34Å
131H97.1Very high94.5Very high19 Ų1958 Ų589%0.08832%0.324CS..BIsolated β-bridgetrans-78.1104.7174-54.5-52.1000109.6D2 D32 S99 D133 M134 H135D2-H131 WeakPolarHBondContact OD1-CA 3.35Å; D2-H131 IonicContact OD1-CE1 3.79Å; D2-H131 IonicContact OD1-CG 3.53Å; D2-H131 PolarHBondContact OD1-N 3.45Å; D2-H131 IonicContact OD1-ND1 3.18Å; D2-H131 PolarHBondContact OD1-ND1 3.48Å; D2-H131 IonicContact OD2-CE1 2.99Å; D2-H131 PolarHBondContact OD2-CE1 3.08Å; D2-H131 IonicContact OD2-ND1 3.77Å; D2-H131 PolarHBondContact OD2-ND1 2.92Å; D32-H131 IonicContact OD2-CD2 2.6Å; D32-H131 PolarHBondContact OD2-CD2 2.88Å; D32-H131 IonicContact OD2-NE2 3.02Å; D32-H131 PolarHBondContact OD2-NE2 3.16Å; S99-H131 WeakPolarHBondContact OG-CB 3.49Å; S99-H131 PolarHBondContact OG-N 3.3Å; S99-H131 PolarHBondContact OG-O 2.83Å; H131-D133 VanDerWaalsContact C-N 3.31Å; H131-D133 PolarHBondContact O-N 3.45Å; H131-M134 HydrophobicContact CB-CB 4.46Å; H131-M134 HydrophobicContact CB-CG 3.83Å; H131-M134 HydrophobicContact CB-SD 3.59Å; H131-M134 VanDerWaalsContact CB-SD 3.59Å; H131-M134 PolarHBondContact O-N 3.44Å; H131-H135 PolarHBondContact O-CD2 2.81Å
132T96.4Very high95Very high39 Ų3958.8 Ų58.824%0.23932%0.322CS..G310 helixtrans-71.2-26.9-16855.20000114.2R1 D2 L130 M134 H135 V140R1-T132 HydrophobicContact CB-CG2 3.74Å; R1-T132 HydrophobicContact CG-CG2 3.87Å; D2-T132 WeakPolarHBondContact O-CB 3.46Å; D2-T132 WeakPolarHBondContact O-CG2 3.46Å; D2-T132 PolarHBondContact O-N 2.89Å; D2-T132 PolarHBondContact O-OG1 3.37Å; L130-T132 PolarHBondContact O-N 2.91Å; T132-M134 VanDerWaalsContact C-N 3.28Å; T132-H135 PolarHBondContact O-N 3.04Å; T132-V140 HydrophobicContact CG2-CG1 4.01Å
133D96.2Very high95.4Very high82 Ų8258.4 Ų58.444%0.43932%0.317SS..G310 helixtrans-72.5-16.5176.652.4-8.7000113.6C4 H131 H135C4-D133 WeakPolarHBondContact CB-OD2 3.14Å; C4-D133 PolarHBondContact N-OD2 3.48Å; H131-D133 VanDerWaalsContact C-N 3.31Å; H131-D133 PolarHBondContact O-N 3.45Å; D133-H135 VanDerWaalsContact C-N 3.34Å
134M95.8Very high95.5Very high79 Ų7958.6 Ų58.639%0.38932%0.319SS..G310 helixtrans-82.7-8.3175.9-62.3-178.57200113.9H131 T132H131-M134 HydrophobicContact CB-CB 4.46Å; H131-M134 HydrophobicContact CB-CG 3.83Å; H131-M134 HydrophobicContact CB-SD 3.59Å; H131-M134 VanDerWaalsContact CB-SD 3.59Å; H131-M134 PolarHBondContact O-N 3.44Å; T132-M134 VanDerWaalsContact C-N 3.28Å
135H95.9Very high95.5Very high39 Ų3956.8 Ų56.818%0.18132%0.317CS..SBendtrans-135154.8-170.2-60.9-72.1000112.9S99 L102 H131 T132 D133 T139 V140S99-H135 WeakPolarHBondContact CA-NE2 3.2Å; S99-H135 VanDerWaalsContact CB-NE2 3.29Å; S99-H135 WeakPolarHBondContact CB-NE2 3.22Å; S99-H135 PolarHBondContact OG-CD2 3.26Å; S99-H135 PolarHBondContact OG-NE2 2.97Å; L102-H135 WeakPolarHBondContact CB-CE1 3.21Å; H131-H135 PolarHBondContact O-CD2 2.81Å; T132-H135 PolarHBondContact O-N 3.04Å; D133-H135 VanDerWaalsContact C-N 3.34Å; H135-T139 HydrophobicContact CB-CG2 4.29Å; H135-V140 HydrophobicContact CB-CG2 3.67Å
136Q95.2Very high95.4Very high156 Ų15656.5 Ų56.573%0.72931%0.31SS*.  trans-66.1149.7170.4-65-179.2-11.700111.3G138 T139 V140Q136-G138 PolarHBondContact O-N 3.38Å; Q136-G138 VanDerWaalsContact O-N 3.11Å; Q136-T139 PolarHBondContact O-N 3.12Å; Q136-T139 VanDerWaalsContact O-N 3.08Å; Q136-V140 PolarHBondContact O-N 3.45Å; Q136-V140 VanDerWaalsContact O-N 3.09Å
137R94.8Very high95.3Very high238 Ų23855.8 Ų55.890%0.89831%0.309SS*.Hα-helixtrans-53-36.7-179.6-68.3-174.7-174.8-179.12.6113.2G141R137-G141 PolarHBondContact O-N 2.98Å
138G94.9Very high95.1Very high52 Ų5257.8 Ų57.854%0.53632%0.324SS..Hα-helixtrans-59.8-53176.800000112.3Q136 V140 G141 S142Q136-G138 PolarHBondContact O-N 3.38Å; Q136-G138 VanDerWaalsContact O-N 3.11Å; G138-V140 PolarHBondContact O-N 3.34Å; G138-G141 PolarHBondContact O-N 3.46Å; G138-S142 PolarHBondContact O-N 3.04Å; G138-S142 PolarHBondContact O-OG 3.37Å
139T95Very high95.1Very high28 Ų2859 Ų5917%0.17233%0.328CS..Hα-helixtrans-58.5-48.4177.3-59.10000112L102 P107 H135 Q136 G141 S142 V143L102-T139 HydrophobicContact CD1-CG2 4.41Å; L102-T139 HydrophobicContact CD2-CG2 4.18Å; P107-T139 HydrophobicContact CB-CG2 4.02Å; P107-T139 HydrophobicContact CG-CG2 3.68Å; H135-T139 HydrophobicContact CB-CG2 4.29Å; Q136-T139 PolarHBondContact O-N 3.12Å; Q136-T139 VanDerWaalsContact O-N 3.08Å; T139-G141 VanDerWaalsContact C-N 3.28Å; T139-G141 PolarHBondContact O-N 2.87Å; T139-S142 PolarHBondContact O-N 3.1Å; T139-V143 WeakPolarHBondContact O-CG2 3.24Å; T139-V143 PolarHBondContact O-N 2.66Å; T139-V143 VanDerWaalsContact O-N 3.12Å
140V96.1Very high95Very high12 Ų1259.9 Ų59.97%0.07333%0.332CS..Hα-helixtrans-58.1-45.3176.6177.40000110.3L130 T132 H135 Q136 G138 V143 C144L130-V140 HydrophobicContact CD2-CG1 4.17Å; T132-V140 HydrophobicContact CG2-CG1 4.01Å; H135-V140 HydrophobicContact CB-CG2 3.67Å; Q136-V140 PolarHBondContact O-N 3.45Å; Q136-V140 VanDerWaalsContact O-N 3.09Å; G138-V140 PolarHBondContact O-N 3.34Å; V140-V143 PolarHBondContact O-N 3.35Å; V140-C144 VanDerWaalsContact O-CB 3.23Å; V140-C144 WeakPolarHBondContact O-CB 3.47Å; V140-C144 PolarHBondContact O-N 3.11Å; V140-C144 PolarHBondContact O-SG 3.2Å
141G94.9Very high95Very high39 Ų3961.5 Ų61.540%0.40234%0.341SS..Hα-helixtrans-58.2-49.2177.400000112.9R137 G138 T139 V143 C144 H145R137-G141 PolarHBondContact O-N 2.98Å; G138-G141 PolarHBondContact O-N 3.46Å; T139-G141 VanDerWaalsContact C-N 3.28Å; T139-G141 PolarHBondContact O-N 2.87Å; G141-V143 PolarHBondContact O-N 2.77Å; G141-C144 PolarHBondContact O-N 3.44Å; G141-H145 WeakPolarHBondContact O-CB 3.29Å; G141-H145 PolarHBondContact O-N 3.38Å
142S93.9Very high95Very high68 Ų6861.1 Ų61.148%0.47634%0.34SS..Hα-helixtrans-59.1-47.5179.4-60.20000112.3G138 T139 H145G138-S142 PolarHBondContact O-N 3.04Å; G138-S142 PolarHBondContact O-OG 3.37Å; T139-S142 PolarHBondContact O-N 3.1Å; S142-H145 PolarHBondContact O-N 2.98Å
143V94.5Very high95Very high11 Ų1159.8 Ų59.87%0.06733%0.332CS..Hα-helixtrans-67.8-42.6179.8178.40000110.9L98 L102 L130 T139 V140 G141 H145 L146L98-V143 HydrophobicContact CD1-CG1 4.37Å; L102-V143 HydrophobicContact CD1-CG2 4.11Å; L102-V143 HydrophobicContact CD2-CG2 3.97Å; L130-V143 HydrophobicContact CD2-CG1 4.34Å; T139-V143 WeakPolarHBondContact O-CG2 3.24Å; T139-V143 PolarHBondContact O-N 2.66Å; T139-V143 VanDerWaalsContact O-N 3.12Å; V140-V143 PolarHBondContact O-N 3.35Å; G141-V143 PolarHBondContact O-N 2.77Å; V143-H145 VanDerWaalsContact C-N 3.26Å; V143-H145 PolarHBondContact O-N 3.19Å; V143-L146 WeakPolarHBondContact O-CB 3.41Å; V143-L146 PolarHBondContact O-N 3.05Å
144C93.7Very high95Very high13 Ų1357.9 Ų57.99%0.08833%0.327CS..Hα-helixtrans-66.2-26.9177.8-69.60000113.2V140 G141 L146 A147 L150V140-C144 VanDerWaalsContact O-CB 3.23Å; V140-C144 WeakPolarHBondContact O-CB 3.47Å; V140-C144 PolarHBondContact O-N 3.11Å; V140-C144 PolarHBondContact O-SG 3.2Å; G141-C144 PolarHBondContact O-N 3.44Å; C144-L146 VanDerWaalsContact C-N 3.31Å; C144-A147 PolarHBondContact O-N 2.8Å; C144-L150 HydrophobicContact CB-CD1 4.47Å; C144-L150 HydrophobicContact CB-CD2 4.1Å
145H91.6Very high94.9Very high135 Ų13557.5 Ų57.563%0.62533%0.33SS*.Hα-helixtrans-70.7-29.9177.4-164.389.2000112.2G141 S142 V143 A147G141-H145 WeakPolarHBondContact O-CB 3.29Å; G141-H145 PolarHBondContact O-N 3.38Å; S142-H145 PolarHBondContact O-N 2.98Å; V143-H145 VanDerWaalsContact C-N 3.26Å; V143-H145 PolarHBondContact O-N 3.19Å; H145-A147 VanDerWaalsContact C-N 3.3Å; H145-A147 PolarHBondContact O-N 3.37Å
146L92.3Very high94.7Very high36 Ų3656.7 Ų56.719%0.18833%0.333CS..Hα-helixtrans-69.6-28.7176.7-177.761.7000112.8C111 L114 Q115 R118 V143 C144C111-L146 HydrophobicContact CB-CD2 4.34Å; C111-L146 WeakPolarHBondContact O-CD2 3.38Å; L114-L146 HydrophobicContact CB-CD2 3.46Å; L114-L146 VanDerWaalsContact CB-CD2 3.46Å; L114-L146 HydrophobicContact CD1-CD2 4.15Å; L114-L146 HydrophobicContact CG-CD2 4.47Å; Q115-L146 HydrophobicContact CB-CD1 3.89Å; Q115-L146 HydrophobicContact CB-CD2 4.48Å; Q115-L146 HydrophobicContact CG-CD1 4.1Å; R118-L146 PolarHBondContact NH1-O 2.89Å; V143-L146 WeakPolarHBondContact O-CB 3.41Å; V143-L146 PolarHBondContact O-N 3.05Å; C144-L146 VanDerWaalsContact C-N 3.31Å
147A93.3Very high94.2Very high33 Ų3356.1 Ų56.127%0.27334%0.34SS..  trans-69133.6-176.100000112.2C144 H145 R169C144-A147 PolarHBondContact O-N 2.8Å; H145-A147 VanDerWaalsContact C-N 3.3Å; H145-A147 PolarHBondContact O-N 3.37Å; A147-R169 PolarHBondContact O-NE 2.73Å
148T93.9Very high93.7Very high89 Ų8951.6 Ų51.655%0.54633%0.326SS..SBendtrans-76.5-30.1172.350.70000112R169T148-R169 PolarHBondContact O-N 3.47Å
149S95.6Very high93.2Very high56 Ų5653.4 Ų53.439%0.39235%0.346SS..EExtended strand (participates in β ladder)trans-135.7132172.7-172.10000108.8T167S149-T167 CarbonylContact C-O 3.55Å; S149-T167 VanDerWaalsContact CA-O 3.31Å; S149-T167 WeakPolarHBondContact CA-O 3.44Å
150L96.4Very high92.7Very high26 Ų2660.2 Ų60.214%0.13637%0.373CS..EExtended strand (participates in β ladder)trans-121.9124.8177.3176.168.4000108.7R1 C144 V166 T167R1-L150 HydrophobicContact CB-CD1 4.3Å; R1-L150 HydrophobicContact CG-CD1 4.12Å; C144-L150 HydrophobicContact CB-CD1 4.47Å; C144-L150 HydrophobicContact CB-CD2 4.1Å; L150-V166 CarbonylContact O-C 3.53Å; L150-V166 WeakPolarHBondContact O-CA 3.31Å; L150-T167 PolarHBondContact N-O 3.39Å; L150-T167 PolarHBondContact O-N 3.13Å
151I97.1Very high92.6Very high42 Ų4262.4 Ų62.422%0.21538%0.382CS..EExtended strand (participates in β ladder)trans-110.2121.9172.6-54.7173.6000107.2R1 L11 F15 V153 A164 V166R1-I151 PolarHBondContact N-O 3.28Å; L11-I151 HydrophobicContact CD2-CG2 3.95Å; F15-I151 HydrophobicContact CE2-CD1 3.76Å; F15-I151 HydrophobicContact CZ-CD1 3.47Å; F15-I151 VanDerWaalsContact CZ-CD1 3.47Å; I151-V153 HydrophobicContact CG2-CG1 4.29Å; I151-A164 HydrophobicContact CG2-CB 4.13Å; I151-V166 HydrophobicContact CG1-CG1 4.32Å; I151-V166 HydrophobicContact CG1-CG2 4.28Å; I151-V166 HydrophobicContact CG2-CG2 4.44Å
152S97Very high92.6Very high10 Ų1060.6 Ų60.67%0.0736%0.363CS..EExtended strand (participates in β ladder)trans-106125.8172-41.60000108R1 A164 R165R1-S152 PolarHBondContact NE-OG 2.79Å; R1-S152 PolarHBondContact NH2-OG 3.41Å; R1-S152 VanDerWaalsContact NH2-OG 3.13Å; R1-S152 WeakPolarHBondContact O-CA 3.32Å; S152-A164 WeakPolarHBondContact O-CA 3.39Å; S152-R165 PolarHBondContact N-O 2.8Å; S152-R165 PolarHBondContact O-N 2.88Å
153V96.9Very high92.6Very high12 Ų1258.5 Ų58.57%0.07335%0.348CS..EExtended strand (participates in β ladder)trans-105.5146.5177.5-66.20000110.8R1 D2 Y6 L11 I151 V163 F182R1-V153 PolarHBondContact O-N 2.81Å; D2-V153 HydrophobicContact CB-CG2 3.57Å; Y6-V153 HydrophobicContact CD1-CB 3.72Å; Y6-V153 HydrophobicContact CD1-CG2 3.65Å; Y6-V153 HydrophobicContact CE1-CB 3.94Å; Y6-V153 HydrophobicContact CE1-CG2 4.13Å; L11-V153 HydrophobicContact CD2-CG1 3.54Å; I151-V153 HydrophobicContact CG2-CG1 4.29Å; V153-V163 WeakPolarHBondContact CA-O 3.41Å; V153-F182 HydrophobicContact CG1-CE1 4.32Å; V153-F182 HydrophobicContact CG1-CZ 4.01Å
154A95.8Very high92.7Very high41 Ų4158.3 Ų58.334%0.33935%0.347SS..EExtended strand (participates in β ladder)trans-147.9156.4177.100000109.1A162 V163A154-A162 WeakPolarHBondContact O-CA 3.42Å; A154-V163 PolarHBondContact N-O 2.86Å; A154-V163 PolarHBondContact O-N 2.8Å
155P94.1Very high92.9Very high71 Ų7163.2 Ų63.246%0.46136%0.364SS..EExtended strand (participates in β ladder)trans-65.4141.1175.728.3-30.3000110.2Y6Y6-P155 HydrophobicContact CD2-CB 4.09Å
156G90.9Very high93.1Very high23 Ų2357.5 Ų57.524%0.23734%0.339CS..  trans-79.3178.9173.400000112.3E161G156-E161 VanDerWaalsContact CA-O 3.28Å; G156-E161 WeakPolarHBondContact CA-O 3.16Å; G156-E161 PolarHBondContact N-O 2.83Å
157V86Confident93.2Very high143 Ų14356.4 Ų56.487%0.86733%0.333SS*.SBendtrans-79.6-24.4-176.8-1740000111.9
158K84.3Confident93.3Very high143 Ų14360.2 Ų60.262%0.62234%0.344SS*.SBendtrans-129.8136.4-172.6-61.1177.8-178.9176.20112.4K160 E161K158-K160 PolarHBondContact O-N 3.35Å; K158-E161 WeakPolarHBondContact O-CB 3.28Å; K158-E161 VanDerWaalsContact O-CG 3.23Å; K158-E161 WeakPolarHBondContact O-CG 3.2Å; K158-E161 PolarHBondContact O-N 3.35Å
159G83.1Confident93.3Very high91 Ų9160.1 Ų60.194%0.93833%0.333SS*.THydrogen-bonded Turntrans49.8-124.8165.200000114.2
160K86Confident93Very high171 Ų17159.7 Ų59.774%0.74333%0.33SS*.THydrogen-bonded Turntrans-93.114.3178.2-62.6-173.1177.5-174.90113.3K158K158-K160 PolarHBondContact O-N 3.35Å
161E92.7Very high92.5Very high58 Ų5869.2 Ų69.227%0.27137%0.371SS..  trans-73.3147.1178.8-60.7176.6179.300110.8G156 K158 I181 L193G156-E161 VanDerWaalsContact CA-O 3.28Å; G156-E161 WeakPolarHBondContact CA-O 3.16Å; G156-E161 PolarHBondContact N-O 2.83Å; K158-E161 WeakPolarHBondContact O-CB 3.28Å; K158-E161 VanDerWaalsContact O-CG 3.23Å; K158-E161 WeakPolarHBondContact O-CG 3.2Å; K158-E161 PolarHBondContact O-N 3.35Å; E161-I181 HydrophobicContact CB-CG2 4.11Å; E161-I181 HydrophobicContact CG-CG2 4.45Å; E161-L193 HydrophobicContact CG-CD1 3.68Å
162A94.6Very high92Very high0 Ų072.2 Ų72.20%040%0.395CS..EExtended strand (participates in β ladder)trans-134.7154.9174.800000110.2Y6 A154 I181 F182Y6-A162 HydrophobicContact CD2-CB 4.44Å; Y6-A162 HydrophobicContact CE1-CB 3.99Å; Y6-A162 HydrophobicContact CE2-CB 3.56Å; Y6-A162 WeakPolarHBondContact OH-CB 3.37Å; A154-A162 WeakPolarHBondContact O-CA 3.42Å; A162-I181 CarbonylContact O-C 3.58Å; A162-I181 WeakPolarHBondContact O-CA 3.36Å; A162-F182 HydrophobicContact CB-CD1 4.15Å; A162-F182 HydrophobicContact CB-CD2 4.45Å; A162-F182 HydrophobicContact CB-CE1 3.55Å; A162-F182 HydrophobicContact CB-CE2 3.9Å; A162-F182 HydrophobicContact CB-CZ 3.43Å; A162-F182 VanDerWaalsContact CB-CZ 3.43Å; A162-F182 PolarHBondContact N-O 2.95Å; A162-F182 VanDerWaalsContact O-CD1 3.28Å; A162-F182 WeakPolarHBondContact O-CD1 3.37Å; A162-F182 PolarHBondContact O-N 2.85Å
163V95.8Very high91.5Very high25 Ų2574.4 Ų74.415%0.15242%0.42CS..EExtended strand (participates in β ladder)trans-109.8123.3179.5177.10000108.3V153 A154 E179 I181V153-V163 WeakPolarHBondContact CA-O 3.41Å; A154-V163 PolarHBondContact N-O 2.86Å; A154-V163 PolarHBondContact O-N 2.8Å; V163-E179 HydrophobicContact CG1-CG 3.66Å; V163-E179 VanDerWaalsContact CG1-OE1 3.25Å; V163-E179 WeakPolarHBondContact CG1-OE1 3.32Å; V163-I181 HydrophobicContact CG2-CG1 4.31Å
164A96.4Very high91.2Very high7 Ų780.3 Ų80.36%0.05844%0.444CS..EExtended strand (participates in β ladder)trans-106.7113173.500000109.5I151 S152 V166 E179 E180 F182I151-A164 HydrophobicContact CG2-CB 4.13Å; S152-A164 WeakPolarHBondContact O-CA 3.39Å; A164-V166 HydrophobicContact CB-CG2 4.46Å; A164-E179 WeakPolarHBondContact O-CA 3.28Å; A164-E180 PolarHBondContact N-O 2.82Å; A164-E180 PolarHBondContact O-N 3.33Å; A164-F182 HydrophobicContact CB-CD1 3.6Å; A164-F182 HydrophobicContact CB-CE1 3.45Å; A164-F182 VanDerWaalsContact CB-CE1 3.45Å; A164-F182 HydrophobicContact CB-CZ 4.49Å
165R96.3Very high91.1Very high115 Ų11581.7 Ų81.743%0.43445%0.449SS..EExtended strand (participates in β ladder)trans-93.3112.3167.8-176.1170.254.9-151.9-8.2109.8S152 D178S152-R165 PolarHBondContact N-O 2.8Å; S152-R165 PolarHBondContact O-N 2.88Å; R165-D178 CarbonylContact C-O 3.59Å
166V95.9Very high91.1Very high16 Ų1683 Ų8310%0.09745%0.45CS..EExtended strand (participates in β ladder)trans-104.1117.8-174.4-173.70000109.4L150 I151 A164 K168 Q177 D178L150-V166 CarbonylContact O-C 3.53Å; L150-V166 WeakPolarHBondContact O-CA 3.31Å; I151-V166 HydrophobicContact CG1-CG1 4.32Å; I151-V166 HydrophobicContact CG1-CG2 4.28Å; I151-V166 HydrophobicContact CG2-CG2 4.44Å; A164-V166 HydrophobicContact CB-CG2 4.46Å; V166-K168 HydrophobicContact CG1-CD 4.44Å; V166-K168 HydrophobicContact CG1-CG 4.1Å; V166-Q177 CarbonylContact O-C 3.58Å; V166-Q177 VanDerWaalsContact O-CA 3.32Å; V166-Q177 WeakPolarHBondContact O-CA 3.25Å; V166-D178 PolarHBondContact N-O 3.04Å; V166-D178 PolarHBondContact O-N 3.47Å
167T95.9Very high91.2Very high13 Ų1387.8 Ų87.88%0.0847%0.466CS..EExtended strand (participates in β ladder)trans-108.9119.1172.6-59.10000109.4S149 L150 V175 M176 Q177S149-T167 CarbonylContact C-O 3.55Å; S149-T167 VanDerWaalsContact CA-O 3.31Å; S149-T167 WeakPolarHBondContact CA-O 3.44Å; L150-T167 PolarHBondContact N-O 3.39Å; L150-T167 PolarHBondContact O-N 3.13Å; T167-V175 HydrophobicContact CG2-CG1 3.56Å; T167-M176 CarbonylContact C-O 3.6Å; T167-M176 WeakPolarHBondContact CA-O 3.34Å; T167-Q177 HydrophobicContact CG2-CG 4.1Å; T167-Q177 PolarHBondContact OG1-NE2 2.84Å
168K95Very high91.6Very high113 Ų11383.3 Ų83.349%0.49144%0.437SS..EExtended strand (participates in β ladder)trans-112.7134.2177.5-68.3173.4-176.7166.60110V166 V175 M176V166-K168 HydrophobicContact CG1-CD 4.44Å; V166-K168 HydrophobicContact CG1-CG 4.1Å; K168-V175 WeakPolarHBondContact O-CA 3.47Å; K168-M176 PolarHBondContact N-O 3.07Å; K168-M176 PolarHBondContact O-N 3Å
169R93.1Very high92.1Very high86 Ų8679.9 Ų79.933%0.32542%0.423SS..EExtended strand (participates in β ladder)trans-108.3121.8174.3-54.9-174.7-160.2-96.9-0.5109.2A147 T148 V175A147-R169 PolarHBondContact O-NE 2.73Å; T148-R169 PolarHBondContact O-N 3.47Å; R169-V175 HydrophobicContact CG-CG2 4.29Å
170S89.3Confident92.7Very high47 Ų4777.5 Ų77.533%0.32939%0.388SS..  trans-75.8165.7174.675.50000111.2S172 G173 K174S170-S172 PolarHBondContact O-N 3.21Å; S170-S172 PolarHBondContact OG-N 3.27Å; S170-S172 PolarHBondContact OG-OG 3.4Å; S170-G173 PolarHBondContact O-N 2.94Å; S170-G173 PolarHBondContact OG-N 3.22Å; S170-K174 PolarHBondContact N-O 3.22Å; S170-K174 WeakPolarHBondContact OG-CB 3.28Å; S170-K174 PolarHBondContact OG-N 3.07Å; S170-K174 PolarHBondContact OG-O 3.45Å
171K86.3Confident93.1Very high226 Ų22671.2 Ų71.298%0.98336%0.362SS*.THydrogen-bonded Turntrans-62.3-24170.5-64.2-176-179.7179.90112.9G173K171-G173 PolarHBondContact O-N 2.97Å
172S87.1Confident93.3Very high105 Ų10568.7 Ų68.773%0.73435%0.35SS*.THydrogen-bonded Turntrans-81.20175.462.30000113.7S170 K174S170-S172 PolarHBondContact O-N 3.21Å; S170-S172 PolarHBondContact OG-N 3.27Å; S170-S172 PolarHBondContact OG-OG 3.4Å; S172-K174 VanDerWaalsContact C-N 3.28Å; S172-K174 PolarHBondContact O-N 3Å
173G85.6Confident93.3Very high57 Ų5770.3 Ų70.359%0.58836%0.361SS*.SBendtrans83.9-3.9-176.700000114.4S170 K171 V175S170-G173 PolarHBondContact O-N 2.94Å; S170-G173 PolarHBondContact OG-N 3.22Å; K171-G173 PolarHBondContact O-N 2.97Å; G173-V175 PolarHBondContact O-N 2.8Å
174K91.3Very high93.2Very high135 Ų13570.7 Ų70.759%0.58736%0.362SS*.  trans-63.4128.3174.4-174.4178.9179.7179.30109.6S170 S172 M176S170-K174 PolarHBondContact N-O 3.22Å; S170-K174 WeakPolarHBondContact OG-CB 3.28Å; S170-K174 PolarHBondContact OG-N 3.07Å; S170-K174 PolarHBondContact OG-O 3.45Å; S172-K174 VanDerWaalsContact C-N 3.28Å; S172-K174 PolarHBondContact O-N 3Å; K174-M176 HydrophobicContact CG-CG 4.48Å
175V93.5Very high93Very high70 Ų7072.6 Ų72.642%0.42438%0.377SS..EExtended strand (participates in β ladder)trans-100.8127174.3-174.50000108.5T167 K168 R169 G173T167-V175 HydrophobicContact CG2-CG1 3.56Å; K168-V175 WeakPolarHBondContact O-CA 3.47Å; R169-V175 HydrophobicContact CG-CG2 4.29Å; G173-V175 PolarHBondContact O-N 2.8Å
176M93.9Very high92.6Very high99 Ų9975.3 Ų75.349%0.48840%0.395SS..EExtended strand (participates in β ladder)trans-114.4139.2172.7-62.6-172.4-61.100108.9T167 K168 K174T167-M176 CarbonylContact C-O 3.6Å; T167-M176 WeakPolarHBondContact CA-O 3.34Å; K168-M176 PolarHBondContact N-O 3.07Å; K168-M176 PolarHBondContact O-N 3Å; K174-M176 HydrophobicContact CG-CG 4.48Å
177Q94.1Very high92.2Very high124 Ų12477.9 Ų77.958%0.57941%0.408SS*.EExtended strand (participates in β ladder)trans-123.5134.6175.6-66.5-173.5-37.300108.6V166 T167V166-Q177 CarbonylContact O-C 3.58Å; V166-Q177 VanDerWaalsContact O-CA 3.32Å; V166-Q177 WeakPolarHBondContact O-CA 3.25Å; T167-Q177 HydrophobicContact CG2-CG 4.1Å; T167-Q177 PolarHBondContact OG1-NE2 2.84Å
178D93.6Very high92Very high48 Ų4878.1 Ų78.126%0.25741%0.408SS..EExtended strand (participates in β ladder)trans-133.8154.4173.5-157.82.5000108.1R165 V166 K195R165-D178 CarbonylContact C-O 3.59Å; V166-D178 PolarHBondContact N-O 3.04Å; V166-D178 PolarHBondContact O-N 3.47Å; D178-K195 IonicContact OD2-NZ 3.76Å; D178-K195 PolarHBondContact OD2-NZ 2.79Å
179E95Very high91.9Very high71 Ų7176 Ų7633%0.33241%0.405SS..EExtended strand (participates in β ladder)trans-133.7123178.6-172170.3156.400109.2V163 A164 A196V163-E179 HydrophobicContact CG1-CG 3.66Å; V163-E179 VanDerWaalsContact CG1-OE1 3.25Å; V163-E179 WeakPolarHBondContact CG1-OE1 3.32Å; A164-E179 WeakPolarHBondContact O-CA 3.28Å; E179-A196 HydrophobicContact CB-CB 3.95Å; E179-A196 HydrophobicContact CG-CB 3.78Å; E179-A196 PolarHBondContact O-N 3.24Å
180E95.1Very high91.9Very high41 Ų4174.9 Ų74.919%0.19241%0.407CS..EExtended strand (participates in β ladder)trans-127.5134.9-172.4-64.2-179158.700109.2A164 I192 K195A164-E180 PolarHBondContact N-O 2.82Å; A164-E180 PolarHBondContact O-N 3.33Å; E180-I192 HydrophobicContact CB-CG2 4.29Å; E180-K195 HydrophobicContact CG-CG 4.44Å; E180-K195 IonicContact OE1-NZ 2.74Å
181I95.3Very high92.1Very high40 Ų4075.6 Ų75.621%0.20541%0.41CS..EExtended strand (participates in β ladder)trans-90.3128.4169.1-57.5178.7000107.2E161 A162 V163 L193 S194E161-I181 HydrophobicContact CB-CG2 4.11Å; E161-I181 HydrophobicContact CG-CG2 4.45Å; A162-I181 CarbonylContact O-C 3.58Å; A162-I181 WeakPolarHBondContact O-CA 3.36Å; V163-I181 HydrophobicContact CG2-CG1 4.31Å; I181-L193 HydrophobicContact CG2-CB 4.39Å; I181-L193 HydrophobicContact CG2-CD1 4.22Å; I181-L193 PolarHBondContact O-N 2.74Å; I181-S194 PolarHBondContact N-O 2.91Å; I181-S194 PolarHBondContact O-N 3.22Å
182F95.6Very high92.5Very high5 Ų569.6 Ų69.62%0.02239%0.388CS..EExtended strand (participates in β ladder)trans-137.1162.1-176.472.4-81.2000111.5L11 V153 A162 A164 I184 V190 T191L11-F182 HydrophobicContact CD1-CE2 4.45Å; L11-F182 HydrophobicContact CD2-CZ 4.48Å; V153-F182 HydrophobicContact CG1-CE1 4.32Å; V153-F182 HydrophobicContact CG1-CZ 4.01Å; A162-F182 HydrophobicContact CB-CD1 4.15Å; A162-F182 HydrophobicContact CB-CD2 4.45Å; A162-F182 HydrophobicContact CB-CE1 3.55Å; A162-F182 HydrophobicContact CB-CE2 3.9Å; A162-F182 HydrophobicContact CB-CZ 3.43Å; A162-F182 VanDerWaalsContact CB-CZ 3.43Å; A162-F182 PolarHBondContact N-O 2.95Å; A162-F182 VanDerWaalsContact O-CD1 3.28Å; A162-F182 WeakPolarHBondContact O-CD1 3.37Å; A162-F182 PolarHBondContact O-N 2.85Å; A164-F182 HydrophobicContact CB-CD1 3.6Å; A164-F182 HydrophobicContact CB-CE1 3.45Å; A164-F182 VanDerWaalsContact CB-CE1 3.45Å; A164-F182 HydrophobicContact CB-CZ 4.49Å; F182-I184 HydrophobicContact CD2-CD1 4.41Å; F182-I184 HydrophobicContact CD2-CG1 3.88Å; F182-I184 HydrophobicContact CE2-CD1 3.77Å; F182-I184 HydrophobicContact CE2-CG1 3.7Å; F182-V190 HydrophobicContact CB-CG1 4.14Å; F182-V190 HydrophobicContact CD2-CG1 4.04Å; F182-V190 HydrophobicContact CG-CG1 4.4Å; F182-T191 CarbonylContact C-O 3.58Å; F182-T191 WeakPolarHBondContact CA-O 3.43Å; F182-T191 WeakPolarHBondContact CB-O 3.23Å
183C94.9Very high92.6Very high34 Ų3468.7 Ų68.723%0.2337%0.374CS..EExtended strand (participates in β ladder)trans-131.1158.5161.460.40000110.2T191C183-T191 PolarHBondContact N-O 3.42Å; C183-T191 PolarHBondContact O-N 2.95Å; C183-T191 PolarHBondContact O-OG1 3.29Å; C183-T191 PolarHBondContact SG-OG1 2.84Å
184I94.3Very high92.6Very high32 Ų3268.5 Ų68.516%0.16436%0.364CS..EExtended strand (participates in β ladder)trans-115.5123.7179.1-55.8-177.3000107.4D10 L11 F182 F188 V190D10-I184 HydrophobicContact CB-CD1 3.79Å; D10-I184 HydrophobicContact CB-CG2 4.42Å; L11-I184 HydrophobicContact CB-CD1 3.92Å; L11-I184 HydrophobicContact CD1-CD1 4.34Å; F182-I184 HydrophobicContact CD2-CD1 4.41Å; F182-I184 HydrophobicContact CD2-CG1 3.88Å; F182-I184 HydrophobicContact CE2-CD1 3.77Å; F182-I184 HydrophobicContact CE2-CG1 3.7Å; I184-F188 HydrophobicContact CG2-CD1 4.34Å; I184-V190 HydrophobicContact CG1-CG2 4.36Å
185A92Very high92.1Very high47 Ų4768 Ų6839%0.38836%0.362SS..  trans-77168173.500000111.3D187 F188 T189A185-D187 VanDerWaalsContact CB-OD1 3.28Å; A185-D187 WeakPolarHBondContact CB-OD1 3.4Å; A185-D187 PolarHBondContact O-N 2.86Å; A185-F188 WeakPolarHBondContact O-CA 3.43Å; A185-F188 PolarHBondContact O-N 2.85Å; A185-T189 PolarHBondContact N-O 2.87Å
186E88.3Confident90.7Very high172 Ų17266 Ų6680%0.80435%0.352SS*.THydrogen-bonded Turntrans-63.8-24.1-178-65.4176-177.300113.2F188E186-F188 PolarHBondContact O-N 2.8Å
187D87.9Confident88.6Confident70 Ų7066 Ų6637%0.37436%0.362SS..THydrogen-bonded Turntrans-85.712173.973.2-22.3000113.2A185 T189A185-D187 VanDerWaalsContact CB-OD1 3.28Å; A185-D187 WeakPolarHBondContact CB-OD1 3.4Å; A185-D187 PolarHBondContact O-N 2.86Å; D187-T189 PolarHBondContact O-N 3Å; D187-T189 WeakPolarHBondContact OD1-CB 3.19Å; D187-T189 PolarHBondContact OD1-N 3.45Å; D187-T189 PolarHBondContact OD1-OG1 3Å; D187-T189 VanDerWaalsContact OD1-OG1 3.07Å; D187-T189 PolarHBondContact OD2-OG1 3Å
188F91.2Very high86.3Confident19 Ų1967.3 Ų67.38%0.08337%0.368CS..  trans60.617.9-174.2-51.7-64.3000114.9K13 S14 D40 G41 L42 I184 A185 E186 V190K13-F188 HydrophobicContact CB-CD1 3.77Å; K13-F188 HydrophobicContact CB-CD2 4.11Å; K13-F188 HydrophobicContact CB-CE1 3.97Å; K13-F188 HydrophobicContact CB-CE2 4.23Å; K13-F188 HydrophobicContact CB-CG 3.88Å; K13-F188 HydrophobicContact CB-CZ 4.21Å; K13-F188 HydrophobicContact CD-CD1 4.2Å; K13-F188 HydrophobicContact CD-CD2 4.46Å; K13-F188 HydrophobicContact CD-CE1 3.5Å; K13-F188 HydrophobicContact CD-CE2 3.77Å; K13-F188 HydrophobicContact CD-CZ 3.27Å; K13-F188 HydrophobicContact CG-CE1 4.39Å; K13-F188 HydrophobicContact CG-CZ 4.39Å; S14-F188 WeakPolarHBondContact CA-O 3.4Å; S14-F188 WeakPolarHBondContact CB-O 3.15Å; S14-F188 PolarHBondContact OG-O 3.01Å; D40-F188 WeakPolarHBondContact O-CE2 3.43Å; D40-F188 WeakPolarHBondContact O-CZ 3.28Å; G41-F188 VanDerWaalsContact C-CE2 3.49Å; L42-F188 HydrophobicContact CD2-CD2 4.13Å; L42-F188 HydrophobicContact CD2-CE2 4.32Å; I184-F188 HydrophobicContact CG2-CD1 4.34Å; A185-F188 WeakPolarHBondContact O-CA 3.43Å; A185-F188 PolarHBondContact O-N 2.85Å; E186-F188 PolarHBondContact O-N 2.8Å; F188-V190 PolarHBondContact O-N 2.94Å
189T91.7Very high83.7Confident69 Ų6968.9 Ų68.942%0.42339%0.387SS..  trans-70.7127.7169.7-630000109.8A185 D187A185-T189 PolarHBondContact N-O 2.87Å; D187-T189 PolarHBondContact O-N 3Å; D187-T189 WeakPolarHBondContact OD1-CB 3.19Å; D187-T189 PolarHBondContact OD1-N 3.45Å; D187-T189 PolarHBondContact OD1-OG1 3Å; D187-T189 VanDerWaalsContact OD1-OG1 3.07Å; D187-T189 PolarHBondContact OD2-OG1 3Å
190V94.4Very high80.9Confident61 Ų6173.7 Ų73.737%0.3741%0.41SS..EExtended strand (participates in β ladder)trans-92.7126.1177.9-1760000109.4L11 S14 F182 I184 F188L11-V190 HydrophobicContact CD1-CG2 4.11Å; S14-V190 VanDerWaalsContact CB-CG2 3.42Å; S14-V190 WeakPolarHBondContact OG-CG2 3.03Å; F182-V190 HydrophobicContact CB-CG1 4.14Å; F182-V190 HydrophobicContact CD2-CG1 4.04Å; F182-V190 HydrophobicContact CG-CG1 4.4Å; I184-V190 HydrophobicContact CG1-CG2 4.36Å; F188-V190 PolarHBondContact O-N 2.94Å
191T94Very high78.2Confident63 Ų6379.8 Ų79.839%0.38744%0.438SS..EExtended strand (participates in β ladder)trans-113.9127.9172.851.10000110F182 C183F182-T191 CarbonylContact C-O 3.58Å; F182-T191 WeakPolarHBondContact CA-O 3.43Å; F182-T191 WeakPolarHBondContact CB-O 3.23Å; C183-T191 PolarHBondContact N-O 3.42Å; C183-T191 PolarHBondContact O-N 2.95Å; C183-T191 PolarHBondContact O-OG1 3.29Å; C183-T191 PolarHBondContact SG-OG1 2.84Å
192I93.3Very high75.4Confident99 Ų9987.1 Ų87.151%0.50847%0.469SS..EExtended strand (participates in β ladder)trans-89.2118.6176.2-58.8170.3000107.3E180E180-I192 HydrophobicContact CB-CG2 4.29Å
193L90.3Very high72.5Confident87 Ų8791.6 Ų91.646%0.45550%0.496SS..EExtended strand (participates in β ladder)trans-84.7-41.6-177.8-59.1179.1000111.1E161 I181E161-L193 HydrophobicContact CG-CD1 3.68Å; I181-L193 HydrophobicContact CG2-CB 4.39Å; I181-L193 HydrophobicContact CG2-CD1 4.22Å; I181-L193 PolarHBondContact O-N 2.74Å
194S85.4Confident69.4Low53 Ų5397.1 Ų97.137%0.37152%0.523SS..EExtended strand (participates in β ladder)trans-161.9158.2176.561.30000110.9I181I181-S194 PolarHBondContact N-O 2.91Å; I181-S194 PolarHBondContact O-N 3.22Å
195K79.8Confident66.5Low124 Ų124100.6 Ų100.654%0.53955%0.551SS.*EExtended strand (participates in β ladder)trans-79.6130.7158.2-61.6-164.4171.1-135.70106.7D178 E180 S197D178-K195 IonicContact OD2-NZ 3.76Å; D178-K195 PolarHBondContact OD2-NZ 2.79Å; E180-K195 HydrophobicContact CG-CG 4.44Å; E180-K195 IonicContact OE1-NZ 2.74Å; K195-S197 PolarHBondContact O-N 3.43Å
196A65Low64Low28 Ų28104 Ų10423%0.23157%0.567CS.*  trans-62.3101.3162.300000104.5E179 H198E179-A196 HydrophobicContact CB-CB 3.95Å; E179-A196 HydrophobicContact CG-CB 3.78Å; E179-A196 PolarHBondContact O-N 3.24Å; A196-H198 PolarHBondContact O-N 3.34Å
197S49.8Very low61.9Low98 Ų98104.9 Ų104.969%0.68557%0.571SS**  trans-51.9135170.443.10000105.5K195 A199K195-S197 PolarHBondContact O-N 3.43Å; S197-A199 PolarHBondContact O-N 3.04Å
198H45.9Very low59.8Low153 Ų153109.8 Ų109.871%0.70859%0.592SS**  trans-57.585.5155.2-69.2-67.9000105A196 E200A196-H198 PolarHBondContact O-N 3.34Å; H198-E200 PolarHBondContact O-N 3.28Å
199A38.1Very low58Low80 Ų80118 Ų11866%0.66163%0.63SS**  trans-56.699.6151.400000101.7S197 H201S197-A199 PolarHBondContact O-N 3.04Å; A199-H201 PolarHBondContact O-N 3.49Å; A199-H201 VanDerWaalsContact O-N 3.1Å
200E36.9Very low56Low172 Ų172124.1 Ų124.180%0.80465%0.654SS**  trans-29123.3148.1-67.7176.9163.500105.8H198 K202H198-E200 PolarHBondContact O-N 3.28Å; E200-K202 PolarHBondContact O-N 3.38Å
201H38.9Very low54.5Low170 Ų170125.3 Ų125.379%0.78767%0.671SS**  trans-31.995.4169.2-124.4-65.2000108.2A199 T203A199-H201 PolarHBondContact O-N 3.49Å; A199-H201 VanDerWaalsContact O-N 3.1Å; H201-T203 HydrophobicContact CB-CG2 4.44Å; H201-T203 PolarHBondContact O-N 2.7Å; H201-T203 PolarHBondContact O-OG1 2.93Å
202K35.6Very low53.1Low194 Ų194126.1 Ų126.184%0.84367%0.672SS**  trans-7475.6154.1-82-170177.2-176.50101.9E200 N204E200-K202 PolarHBondContact O-N 3.38Å; K202-N204 PolarHBondContact O-N 3.06Å
203T34Very low51.7Low99 Ų99127.2 Ų127.261%0.60769%0.686SS**  trans-42.8105.1145.937.70000104.2H201 S205H201-T203 HydrophobicContact CB-CG2 4.44Å; H201-T203 PolarHBondContact O-N 2.7Å; H201-T203 PolarHBondContact O-OG1 2.93Å; T203-S205 PolarHBondContact O-N 3.48Å
204N31Very low50.5Low149 Ų149125.3 Ų125.380%0.79768%0.678SS**  trans-51.3101.8151.1-72.9-23.2000103.7K202 T206K202-N204 PolarHBondContact O-N 3.06Å; N204-T206 PolarHBondContact O-N 2.86Å
205S32.8Very low49.7Very low106 Ų106126.4 Ų126.474%0.74169%0.69SS**  trans-6384.9176.749.90000106.8T203T203-S205 PolarHBondContact O-N 3.48Å
206T38.9Very low49.2Very low117 Ų117128.1 Ų128.172%0.71871%0.705SS**  trans-85.1111.9144-36.10000102.4N204 E208N204-T206 PolarHBondContact O-N 2.86Å; T206-E208 VanDerWaalsContact C-N 3.26Å; T206-E208 PolarHBondContact O-N 3.49Å
207E44.8Very low49.5Very low192 Ų192130 Ų13090%0.89771%0.711SS**  trans-58.890.4176.1-69.3171.9158.100108.6
208E43.6Very low50.4Low173 Ų173132.4 Ų132.481%0.80872%0.722SS**  trans-87.7113.2157.8-72.2-175.8177.300106T206 Q210T206-E208 VanDerWaalsContact C-N 3.26Å; T206-E208 PolarHBondContact O-N 3.49Å; E208-Q210 PolarHBondContact O-N 2.83Å
209E54.6Low51.5Low192 Ų192130.9 Ų130.990%0.89771%0.713SS**  trans-44.9113.9171-83.8177.2142.300109.1A211E209-A211 VanDerWaalsContact C-N 3.3Å; E209-A211 PolarHBondContact O-N 3.22Å
210Q49.9Very low53Low196 Ų196134.1 Ų134.192%0.91672%0.719SS**  trans-70.791.2-178-154.2166.613.400107.9E208 D212E208-Q210 PolarHBondContact O-N 2.83Å; Q210-D212 PolarHBondContact O-N 2.85Å
211A61.7Low54.7Low87 Ų87131.3 Ų131.372%0.71971%0.709SS**  trans-58.1126.1177.800000109.6E209 P213E209-A211 VanDerWaalsContact C-N 3.3Å; E209-A211 PolarHBondContact O-N 3.22Å; A211-P213 VanDerWaalsContact O-CD 3.29Å; A211-P213 WeakPolarHBondContact O-CD 3.17Å; A211-P213 VanDerWaalsContact O-N 3.11Å
212D64.6Low56.4Low80 Ų80132.5 Ų132.543%0.42871%0.707SS.*  trans-59.5114.2178.8-174.5-17.8000109.3Q210 T214 A215Q210-D212 PolarHBondContact O-N 2.85Å; D212-T214 VanDerWaalsContact CG-OG1 3.23Å; D212-T214 PolarHBondContact O-N 3.03Å; D212-T214 WeakPolarHBondContact OD1-CB 3.47Å; D212-T214 PolarHBondContact OD1-N 2.98Å; D212-T214 PolarHBondContact OD1-OG1 2.83Å; D212-T214 PolarHBondContact OD2-OG1 3.2Å; D212-A215 HydrophobicContact CB-CB 4.45Å; D212-A215 VanDerWaalsContact O-CB 3.3Å; D212-A215 WeakPolarHBondContact O-CB 3.3Å; D212-A215 PolarHBondContact O-N 2.91Å
213P63.6Low57.9Low121 Ų121127.3 Ų127.379%0.78669%0.688SS**THydrogen-bonded Turntrans-64.2-9.8-177.527.3-35.2000112.8A211A211-P213 VanDerWaalsContact O-CD 3.29Å; A211-P213 WeakPolarHBondContact O-CD 3.17Å; A211-P213 VanDerWaalsContact O-N 3.11Å
214T66.3Low59.8Low48 Ų48125 Ų12529%0.29468%0.676SS.*THydrogen-bonded Turntrans-93.3-5.9177.467.30000114D212 N216 L217 L221D212-T214 VanDerWaalsContact CG-OG1 3.23Å; D212-T214 PolarHBondContact O-N 3.03Å; D212-T214 WeakPolarHBondContact OD1-CB 3.47Å; D212-T214 PolarHBondContact OD1-N 2.98Å; D212-T214 PolarHBondContact OD1-OG1 2.83Å; D212-T214 PolarHBondContact OD2-OG1 3.2Å; T214-N216 VanDerWaalsContact C-N 3.27Å; T214-N216 PolarHBondContact O-N 3.19Å; T214-L217 HydrophobicContact CG2-CD1 4.29Å; T214-L217 PolarHBondContact O-N 2.77Å; T214-L221 HydrophobicContact CG2-CD1 4.1Å
215A67.4Low62Low75 Ų75124.3 Ų124.362%0.6267%0.672SS**THydrogen-bonded Turntrans-64.3-24.3-174.700000114.9D212D212-A215 HydrophobicContact CB-CB 4.45Å; D212-A215 VanDerWaalsContact O-CB 3.3Å; D212-A215 WeakPolarHBondContact O-CB 3.3Å; D212-A215 PolarHBondContact O-N 2.91Å
216N69.8Low64.1Low161 Ų161123.3 Ų123.386%0.86167%0.665SS**THydrogen-bonded Turntrans-100.612-179.3-68.7-51.5000113.9T214T214-N216 VanDerWaalsContact C-N 3.27Å; T214-N216 PolarHBondContact O-N 3.19Å
217L70.7Confident66Low67 Ų67122.1 Ų122.135%0.35165%0.651SS.*  trans-84.1128.7175.9-67.1170.1000109.7T214 F219 L221T214-L217 HydrophobicContact CG2-CD1 4.29Å; T214-L217 PolarHBondContact O-N 2.77Å; L217-F219 WeakPolarHBondContact CB-O 3.37Å; L217-F219 HydrophobicContact CD2-CE1 4.19Å; L217-F219 HydrophobicContact CD2-CZ 4.32Å; L217-F219 PolarHBondContact O-N 2.79Å; L217-L221 HydrophobicContact CD1-CD1 3.25Å; L217-L221 HydrophobicContact CD1-CG 3.74Å
218T68.7Low67.6Low148 Ų148116.4 Ų116.491%0.90863%0.627SS**SBendtrans-73.10.3173.941.70000113.4
219F69.9Low69.3Low121 Ų121113.4 Ų113.453%0.53161%0.613SS.*SBendtrans-137.3137.6175.262.7-83.8000109.8L217 L221L217-F219 WeakPolarHBondContact CB-O 3.37Å; L217-F219 HydrophobicContact CD2-CE1 4.19Å; L217-F219 HydrophobicContact CD2-CZ 4.32Å; L217-F219 PolarHBondContact O-N 2.79Å; F219-L221 HydrophobicContact CD2-CD2 4.19Å; F219-L221 HydrophobicContact CE2-CD2 3.55Å; F219-L221 HydrophobicContact CE2-CG 4.21Å; F219-L221 HydrophobicContact CZ-CD2 4.45Å; F219-L221 PolarHBondContact O-N 3.48Å
220N70.4Confident70.4Confident148 Ų148107 Ų10779%0.79159%0.592SS**  trans-75.6122.6-178.5-72.2-33.6000110.5R222N220-R222 VanDerWaalsContact C-N 3.35Å
221L71.3Confident71.6Confident113 Ų113104.6 Ų104.659%0.59258%0.579SS**SBendtrans-80.5-18175.1-73.7176.1000113.2T214 L217 F219T214-L221 HydrophobicContact CG2-CD1 4.1Å; L217-L221 HydrophobicContact CD1-CD1 3.25Å; L217-L221 HydrophobicContact CD1-CG 3.74Å; F219-L221 HydrophobicContact CD2-CD2 4.19Å; F219-L221 HydrophobicContact CE2-CD2 3.55Å; F219-L221 HydrophobicContact CE2-CG 4.21Å; F219-L221 HydrophobicContact CZ-CD2 4.45Å; F219-L221 PolarHBondContact O-N 3.48Å
222R74Confident72.2Confident195 Ų195107.8 Ų107.874%0.73658%0.579SS**SBendtrans-107133.2177.3-62.4-177.3-177.1173.64.7108.3N220N220-R222 VanDerWaalsContact C-N 3.35Å
223L68.1Low72.7Confident85 Ų85111.4 Ų111.445%0.44559%0.591SS.*  trans-68.4132.2167-63.3172000107.3E227 K231L223-E227 HydrophobicContact CB-CB 3.98Å; L223-E227 HydrophobicContact CD2-CB 4.02Å; L223-K231 HydrophobicContact CD1-CD 4.03Å
224S75Confident73Confident51 Ų51111.5 Ų111.536%0.35758%0.584SS.*  trans-61.6158.3166.659.60000110.2S226 E227 L228S224-S226 PolarHBondContact O-N 3.33Å; S224-S226 VanDerWaalsContact O-N 3.14Å; S224-S226 PolarHBondContact OG-OG 3.3Å; S224-S226 VanDerWaalsContact OG-OG 3.08Å; S224-E227 WeakPolarHBondContact CB-OE2 3.22Å; S224-E227 PolarHBondContact N-OE2 3.1Å; S224-E227 WeakPolarHBondContact O-CA 3.47Å; S224-E227 WeakPolarHBondContact O-CB 3.45Å; S224-E227 PolarHBondContact O-N 3.2Å; S224-E227 VanDerWaalsContact OG-CD 3.24Å; S224-E227 WeakPolarHBondContact OG-CG 3.29Å; S224-E227 PolarHBondContact OG-N 2.63Å; S224-E227 PolarHBondContact OG-OE2 2.83Å; S224-L228 PolarHBondContact O-N 3.31Å
225D76.2Confident72.9Confident134 Ų134115.3 Ų115.372%0.71761%0.607SS**Hα-helixtrans-55-36.9-179.7-65-31.9000112L228 E229D225-L228 PolarHBondContact O-N 2.82Å; D225-E229 PolarHBondContact O-N 2.63Å
226S77.9Confident72.9Confident85 Ų85117 Ų11759%0.59461%0.606SS**Hα-helixtrans-64.5-37.8173.849.40000114S224 A230S224-S226 PolarHBondContact O-N 3.33Å; S224-S226 VanDerWaalsContact O-N 3.14Å; S224-S226 PolarHBondContact OG-OG 3.3Å; S224-S226 VanDerWaalsContact OG-OG 3.08Å; S226-A230 WeakPolarHBondContact O-CB 3.41Å; S226-A230 PolarHBondContact O-N 2.83Å
227E78.5Confident72.5Confident92 Ų92115 Ų11543%0.4360%0.601SS.*Hα-helixtrans-74.8-32.5177.4-70.9166.9137.700111.4L223 S224 A230 K231L223-E227 HydrophobicContact CB-CB 3.98Å; L223-E227 HydrophobicContact CD2-CB 4.02Å; S224-E227 WeakPolarHBondContact CB-OE2 3.22Å; S224-E227 PolarHBondContact N-OE2 3.1Å; S224-E227 WeakPolarHBondContact O-CA 3.47Å; S224-E227 WeakPolarHBondContact O-CB 3.45Å; S224-E227 PolarHBondContact O-N 3.2Å; S224-E227 VanDerWaalsContact OG-CD 3.24Å; S224-E227 WeakPolarHBondContact OG-CG 3.29Å; S224-E227 PolarHBondContact OG-N 2.63Å; S224-E227 PolarHBondContact OG-OE2 2.83Å; E227-A230 PolarHBondContact O-N 2.62Å; E227-K231 WeakPolarHBondContact O-CB 3.38Å; E227-K231 PolarHBondContact O-N 3.48Å
228L77.9Confident71.9Confident73 Ų73120.7 Ų120.738%0.38262%0.623SS.*Hα-helixtrans-66.7-43.8175.1-134.2163.5000110.6S224 D225 K231 Q232S224-L228 PolarHBondContact O-N 3.31Å; D225-L228 PolarHBondContact O-N 2.82Å; L228-K231 PolarHBondContact O-N 3.29Å; L228-Q232 WeakPolarHBondContact O-CG 3.49Å; L228-Q232 PolarHBondContact O-N 3.28Å
229E79.1Confident71.3Confident110 Ų110118.4 Ų118.451%0.51461%0.609SS.*Hα-helixtrans-63.3-42.3171.8-77.6-169.6-169.500112.7D225 K231 Q232 K233D225-E229 PolarHBondContact O-N 2.63Å; E229-K231 VanDerWaalsContact C-N 3.34Å; E229-K231 PolarHBondContact O-N 2.89Å; E229-Q232 PolarHBondContact O-N 3.41Å; E229-K233 WeakPolarHBondContact O-CG 3.5Å; E229-K233 PolarHBondContact O-N 3.08Å; E229-K233 IonicContact OE2-NZ 2.69Å
230A78.2Confident70.8Confident56 Ų56120.6 Ų120.646%0.46362%0.618SS.*Hα-helixtrans-63.1-40.8177.500000111.7S226 E227 K233 L234S226-A230 WeakPolarHBondContact O-CB 3.41Å; S226-A230 PolarHBondContact O-N 2.83Å; E227-A230 PolarHBondContact O-N 2.62Å; A230-K233 PolarHBondContact O-N 2.9Å; A230-L234 PolarHBondContact O-N 3.14Å
231K74.5Confident70.3Confident147 Ų147116.9 Ų116.964%0.63960%0.604SS**Hα-helixtrans-63.5-39.4174.1-172.9-173.1174.8-172.50111.9L223 E227 L228 E229 K233 L234L223-K231 HydrophobicContact CD1-CD 4.03Å; E227-K231 WeakPolarHBondContact O-CB 3.38Å; E227-K231 PolarHBondContact O-N 3.48Å; L228-K231 PolarHBondContact O-N 3.29Å; E229-K231 VanDerWaalsContact C-N 3.34Å; E229-K231 PolarHBondContact O-N 2.89Å; K231-K233 VanDerWaalsContact C-N 3.34Å; K231-L234 WeakPolarHBondContact O-CB 3.36Å; K231-L234 PolarHBondContact O-N 3Å
232Q73.3Confident69.6Low153 Ų153120.3 Ų120.372%0.71561%0.614SS**Hα-helixtrans-69-31.4177.5-73-178.429.500113L228 E229 L234L228-Q232 WeakPolarHBondContact O-CG 3.49Å; L228-Q232 PolarHBondContact O-N 3.28Å; E229-Q232 PolarHBondContact O-N 3.41Å; Q232-L234 VanDerWaalsContact C-N 3.28Å
233K75.2Confident68.7Low157 Ų157118.9 Ų118.968%0.68362%0.616SS**THydrogen-bonded Turntrans-80.1-7.7175.4-72.7171.4-177.9161.60113.5E229 A230 K231 T235E229-K233 WeakPolarHBondContact O-CG 3.5Å; E229-K233 PolarHBondContact O-N 3.08Å; E229-K233 IonicContact OE2-NZ 2.69Å; A230-K233 PolarHBondContact O-N 2.9Å; K231-K233 VanDerWaalsContact C-N 3.34Å; K233-T235 PolarHBondContact O-N 2.95Å
234L70.4Confident68Low123 Ų123120.7 Ų120.764%0.64462%0.62SS**  trans-82.5103.8-178.5-149.299.2000110.5A230 K231 Q232 L236A230-L234 PolarHBondContact O-N 3.14Å; K231-L234 WeakPolarHBondContact O-CB 3.36Å; K231-L234 PolarHBondContact O-N 3Å; Q232-L234 VanDerWaalsContact C-N 3.28Å; L234-L236 PolarHBondContact O-N 3.43Å
235T64.8Low66.9Low127 Ų127121.8 Ų121.878%0.77963%0.628SS**  trans-76115172.2-39.50000109.4K233K233-T235 PolarHBondContact O-N 2.95Å
236L66.3Low65.8Low112 Ų112123.3 Ų123.359%0.58663%0.631SS**  trans-68.4133.4177.7-68.6169.6000110L234 F238 V239L234-L236 PolarHBondContact O-N 3.43Å; L236-F238 PolarHBondContact O-N 3.35Å; L236-V239 HydrophobicContact CB-CG2 3.98Å; L236-V239 PolarHBondContact O-N 3.04Å
237P62Low64.7Low118 Ų118123.5 Ų123.577%0.76663%0.632SS**THydrogen-bonded Turntrans-64.5-8-170.721.1-31.5000115.7
238F57.9Low63.5Low186 Ų186125.9 Ų125.982%0.81665%0.647SS**THydrogen-bonded Turntrans-117.318.2-178.9-70.8-78.5000114.5L236 F240L236-F238 PolarHBondContact O-N 3.35Å; F238-F240 PolarHBondContact O-N 3.42Å
239V57.4Low61.7Low100 Ų100134.5 Ų134.561%0.60669%0.686SS**  trans-86.1108.4170.6-178.20000108.2L236 S241L236-V239 HydrophobicContact CB-CG2 3.98Å; L236-V239 PolarHBondContact O-N 3.04Å; V239-S241 PolarHBondContact O-N 2.9Å
240F57.5Low60.9Low167 Ų167135.8 Ų135.873%0.73269%0.694SS**  trans-62.4106.9171.3-81.6-95.3000109F238 K244F238-F240 PolarHBondContact O-N 3.42Å; F240-K244 HydrophobicContact CD1-CD 4.26Å; F240-K244 HydrophobicContact CE1-CD 4.31Å
241S60.1Low60Low71 Ų71139.9 Ų139.950%0.49771%0.706SS.*  trans-68.9145.3170.838.40000110.3V239 E243 K244V239-S241 PolarHBondContact O-N 2.9Å; S241-E243 PolarHBondContact O-N 3Å; S241-K244 PolarHBondContact O-N 3.23Å
242K56.4Low59.2Low184 Ų184139.6 Ų139.680%0.871%0.71SS**THydrogen-bonded Turntrans-55.1-23-179.8-90.1-177.4172.1-177.70114.2K244 S245K242-K244 VanDerWaalsContact C-N 3.26Å; K242-K244 PolarHBondContact O-N 2.91Å; K242-S245 WeakPolarHBondContact CA-OG 3.48Å; K242-S245 PolarHBondContact O-N 2.76Å; K242-S245 PolarHBondContact O-OG 2.82Å
243E55.8Low58.3Low166 Ų166138.8 Ų138.878%0.77671%0.71SS**Hα-helixtrans-64.1-29.6173.5-79.4178.4145.900112.9S241S241-E243 PolarHBondContact O-N 3Å
244K52.7Low57.3Low123 Ų123137.6 Ų137.654%0.53571%0.712SS.*Hα-helixtrans-83.3-12.5179.1-154171.9-174.6176.30113.3F240 S241 K242 S247F240-K244 HydrophobicContact CD1-CD 4.26Å; F240-K244 HydrophobicContact CE1-CD 4.31Å; S241-K244 PolarHBondContact O-N 3.23Å; K242-K244 VanDerWaalsContact C-N 3.26Å; K242-K244 PolarHBondContact O-N 2.91Å; K244-S247 PolarHBondContact O-OG 2.81Å
245S53.6Low56.4Low74 Ų74138.6 Ų138.652%0.51772%0.716SS.*Hα-helixtrans-81.1-21.3172.640.50000113.6K242K242-S245 WeakPolarHBondContact CA-OG 3.48Å; K242-S245 PolarHBondContact O-N 2.76Å; K242-S245 PolarHBondContact O-OG 2.82Å
246E53Low55.8Low165 Ų165139.4 Ų139.477%0.77171%0.712SS**Hα-helixtrans-89.4-13.8-179.7-69.7-176.317200113.4L248E246-L248 VanDerWaalsContact C-N 3.3Å; E246-L248 PolarHBondContact O-N 3Å
247S53.6Low55Low90 Ų90141.5 Ų141.563%0.62972%0.721SS**THydrogen-bonded Turntrans-89.913.6174.768.70000114.1K244K244-S247 PolarHBondContact O-OG 2.81Å
248L54.6Low54.4Low142 Ų142143.5 Ų143.574%0.74372%0.717SS**THydrogen-bonded Turntrans-123.115.1-176.8-97.1150.9000113.3E246E246-L248 VanDerWaalsContact C-N 3.3Å; E246-L248 PolarHBondContact O-N 3Å
249Q40Very low54.1Low254 Ų254139.6 Ų139.6100%1.18771%0.709SS**  trans-97.50165.1-82.4-165.7-49.400111.9

Retrieved 249 of 249 residues in 826.5 ms (Link to these results)

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