A0A096M2P4_POEFO Loading...

Rab-GAP TBC domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M2P4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 918 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
1M72.1Confident88.3Confident181 Ų18167.5 Ų67.589%0.89236%0.362SS*.  0-73.60-70178.5176.800110.6A3 T4 L63M1-A3 PolarHBondContact O-N 3.42Å; M1-T4 PolarHBondContact O-N 3.43Å; M1-T4 PolarHBondContact O-OG1 3.28Å; M1-L63 HydrophobicContact CB-CD2 4.03Å; M1-L63 HydrophobicContact SD-CD1 4.09Å
2F81.1Confident88.7Confident61 Ų6167.4 Ų67.427%0.26837%0.366SS..THydrogen-bonded Turntrans-50.1-47.9-176.164.4-85.2000116.2T4 D5 W6 V43 L63 L66F2-T4 PolarHBondContact O-N 3.46Å; F2-D5 PolarHBondContact O-N 2.69Å; F2-W6 HydrophobicContact CD2-CD2 4.22Å; F2-W6 HydrophobicContact CD2-CE3 4.15Å; F2-W6 AromaticContact CD2-CH2 3.79Å; F2-W6 HydrophobicContact CD2-CH2 3.79Å; F2-W6 AromaticContact CD2-CZ2 3.83Å; F2-W6 HydrophobicContact CD2-CZ2 3.83Å; F2-W6 AromaticContact CD2-CZ3 3.94Å; F2-W6 HydrophobicContact CD2-CZ3 3.94Å; F2-W6 HydrophobicContact CE2-CE3 4.37Å; F2-W6 AromaticContact CE2-CH2 3.95Å; F2-W6 HydrophobicContact CE2-CH2 3.95Å; F2-W6 HydrophobicContact CE2-CZ2 4.45Å; F2-W6 AromaticContact CE2-CZ3 3.9Å; F2-W6 HydrophobicContact CE2-CZ3 3.9Å; F2-V43 HydrophobicContact CE2-CG2 3.82Å; F2-V43 HydrophobicContact CZ-CG2 4.18Å; F2-L63 HydrophobicContact CB-CD2 4.12Å; F2-L63 HydrophobicContact CD1-CD2 3.84Å; F2-L63 HydrophobicContact CG-CD2 4.46Å; F2-L66 HydrophobicContact CB-CB 4.28Å; F2-L66 HydrophobicContact CD1-CD1 3.62Å; F2-L66 HydrophobicContact CD2-CB 4.46Å; F2-L66 HydrophobicContact CD2-CD1 4Å; F2-L66 HydrophobicContact CE1-CD1 3.66Å; F2-L66 HydrophobicContact CE2-CD1 4.04Å; F2-L66 HydrophobicContact CG-CB 4.28Å; F2-L66 HydrophobicContact CG-CD1 3.81Å; F2-L66 HydrophobicContact CZ-CD1 3.88Å
3A85.8Confident88.8Confident34 Ų3475.7 Ų75.728%0.28139%0.388SS..Hα-helixtrans-65.1-12.8-171.700000115.2M1 L7M1-A3 PolarHBondContact O-N 3.42Å; A3-L7 WeakPolarHBondContact O-CB 3.22Å; A3-L7 WeakPolarHBondContact O-CG 3.43Å; A3-L7 PolarHBondContact O-N 3.06Å; A3-L7 VanDerWaalsContact O-N 3.13Å
4T88.8Confident88.8Confident88 Ų8871.6 Ų71.654%0.5437%0.367SS..Hα-helixtrans-67.9-49.5176.5-51.50000111M1 F2 W6 L7 M8M1-T4 PolarHBondContact O-N 3.43Å; M1-T4 PolarHBondContact O-OG1 3.28Å; F2-T4 PolarHBondContact O-N 3.46Å; T4-W6 VanDerWaalsContact C-N 3.31Å; T4-W6 PolarHBondContact O-N 3.41Å; T4-L7 PolarHBondContact O-N 3.37Å; T4-M8 HydrophobicContact CG2-CG 4Å; T4-M8 WeakPolarHBondContact O-CB 3.46Å; T4-M8 VanDerWaalsContact O-CG 3.24Å; T4-M8 WeakPolarHBondContact O-CG 3.5Å; T4-M8 PolarHBondContact O-N 3.35Å
5D89.3Confident89Confident56 Ų5667.3 Ų67.330%0.29935%0.345SS..Hα-helixtrans-63-41.7179.2-67-35.9000110.8F2 C9F2-D5 PolarHBondContact O-N 2.69Å; D5-C9 WeakPolarHBondContact O-CB 3.31Å; D5-C9 PolarHBondContact O-N 3.21Å
6W92.6Very high89.1Confident2 Ų264.3 Ų64.31%0.00833%0.331CS..Hα-helixtrans-55.1-54.1176.1-69.512.2000112.6F2 T4 L10 F11 H14 A39 L42 V43 L66 V69F2-W6 HydrophobicContact CD2-CD2 4.22Å; F2-W6 HydrophobicContact CD2-CE3 4.15Å; F2-W6 AromaticContact CD2-CH2 3.79Å; F2-W6 HydrophobicContact CD2-CH2 3.79Å; F2-W6 AromaticContact CD2-CZ2 3.83Å; F2-W6 HydrophobicContact CD2-CZ2 3.83Å; F2-W6 AromaticContact CD2-CZ3 3.94Å; F2-W6 HydrophobicContact CD2-CZ3 3.94Å; F2-W6 HydrophobicContact CE2-CE3 4.37Å; F2-W6 AromaticContact CE2-CH2 3.95Å; F2-W6 HydrophobicContact CE2-CH2 3.95Å; F2-W6 HydrophobicContact CE2-CZ2 4.45Å; F2-W6 AromaticContact CE2-CZ3 3.9Å; F2-W6 HydrophobicContact CE2-CZ3 3.9Å; T4-W6 VanDerWaalsContact C-N 3.31Å; T4-W6 PolarHBondContact O-N 3.41Å; W6-L10 PolarHBondContact O-N 2.79Å; W6-F11 HydrophobicContact CB-CD1 3.97Å; W6-F11 HydrophobicContact CB-CE1 3.54Å; W6-F11 HydrophobicContact CB-CZ 4.05Å; W6-F11 AromaticContact CD2-CE1 3.96Å; W6-F11 HydrophobicContact CD2-CE1 3.96Å; W6-F11 AromaticContact CE3-CE1 3.87Å; W6-F11 HydrophobicContact CE3-CE1 3.87Å; W6-F11 HydrophobicContact CG-CD1 4.22Å; W6-F11 AromaticContact CG-CE1 3.88Å; W6-F11 HydrophobicContact CG-CE1 3.88Å; W6-F11 PolarHBondContact O-N 3.48Å; W6-H14 AromaticContact CD1-CD2 3.38Å; W6-H14 AromaticContact CD1-CG 3.74Å; W6-H14 AromaticContact CD1-NE2 3.64Å; W6-H14 AromaticContact NE1-CD2 3.88Å; W6-H14 AromaticContact NE1-CG 3.78Å; W6-H14 AromaticContact NE1-ND1 3.91Å; W6-A39 HydrophobicContact CE3-CB 3.94Å; W6-A39 HydrophobicContact CZ3-CB 4.11Å; W6-L42 HydrophobicContact CE3-CD1 4.43Å; W6-L42 HydrophobicContact CH2-CB 3.69Å; W6-L42 HydrophobicContact CH2-CD1 4.42Å; W6-L42 HydrophobicContact CZ2-CB 4.42Å; W6-L42 HydrophobicContact CZ3-CB 3.92Å; W6-L42 HydrophobicContact CZ3-CD1 4.32Å; W6-V43 HydrophobicContact CH2-CG2 3.94Å; W6-V43 HydrophobicContact CZ3-CG2 3.96Å; W6-L66 HydrophobicContact CH2-CD2 3.98Å; W6-L66 HydrophobicContact CZ2-CB 4.32Å; W6-L66 HydrophobicContact CZ2-CD2 4.22Å; W6-L66 WeakPolarHBondContact CZ2-O 3.43Å; W6-V69 HydrophobicContact CZ2-CG2 4Å
7L92Very high89.3Confident68 Ų6868.9 Ų68.936%0.35635%0.348SS..Hα-helixtrans-81.3-35.3-173.6-64.5175.3000113A3 T4 F11 L35A3-L7 WeakPolarHBondContact O-CB 3.22Å; A3-L7 WeakPolarHBondContact O-CG 3.43Å; A3-L7 PolarHBondContact O-N 3.06Å; A3-L7 VanDerWaalsContact O-N 3.13Å; T4-L7 PolarHBondContact O-N 3.37Å; L7-F11 HydrophobicContact CD2-CE2 4.23Å; L7-F11 HydrophobicContact CD2-CZ 4.13Å; L7-L35 HydrophobicContact CD2-CB 3.79Å
8M90.9Very high89.4Confident153 Ų15370.8 Ų70.875%0.75436%0.36SS*.Hα-helixtrans-72.9-37.8178.5-69.5-65.6-62.700112.3T4T4-M8 HydrophobicContact CG2-CG 4Å; T4-M8 WeakPolarHBondContact O-CB 3.46Å; T4-M8 VanDerWaalsContact O-CG 3.24Å; T4-M8 WeakPolarHBondContact O-CG 3.5Å; T4-M8 PolarHBondContact O-N 3.35Å
9C92.1Very high89.6Confident42 Ų4267.1 Ų67.128%0.28434%0.341SS..THydrogen-bonded Turntrans-93.812.6179.3-55.10000113D5 F11 T12 R13D5-C9 WeakPolarHBondContact O-CB 3.31Å; D5-C9 PolarHBondContact O-N 3.21Å; C9-F11 PolarHBondContact O-N 3.05Å; C9-F11 VanDerWaalsContact O-N 3.13Å; C9-T12 WeakPolarHBondContact CB-OG1 3.28Å; C9-T12 WeakPolarHBondContact O-CB 3.07Å; C9-T12 WeakPolarHBondContact O-CG2 3.38Å; C9-T12 PolarHBondContact O-N 3.14Å; C9-T12 PolarHBondContact O-OG1 3.43Å; C9-R13 HydrophobicContact CB-CG 4.35Å
10L93.3Very high89.9Confident57 Ų5764.3 Ų64.330%0.29833%0.326SS..THydrogen-bonded Turntrans47.242.5-178.6-56.5179000113.1W6 T12 L20 W24 F27 L35W6-L10 PolarHBondContact O-N 2.79Å; L10-T12 PolarHBondContact O-N 2.79Å; L10-T12 VanDerWaalsContact O-N 3.14Å; L10-L20 VanDerWaalsContact O-CD1 3.3Å; L10-L20 WeakPolarHBondContact O-CD1 3.48Å; L10-W24 HydrophobicContact CB-CZ2 4.43Å; L10-W24 PolarHBondContact O-NE1 2.81Å; L10-F27 HydrophobicContact CD1-CE1 4.35Å; L10-F27 HydrophobicContact CD2-CZ 4.49Å; L10-L35 HydrophobicContact CD2-CD1 3.57Å; L10-L35 HydrophobicContact CD2-CD2 4.16Å
11F92.9Very high90.1Very high0 Ų064.5 Ų64.50%033%0.328CS..THydrogen-bonded Turntrans62.62.3-177.3-60.1-87.5000117.9W6 L7 C9 R13 H14 L15 L20 L35 V38 A39 L42W6-F11 HydrophobicContact CB-CD1 3.97Å; W6-F11 HydrophobicContact CB-CE1 3.54Å; W6-F11 HydrophobicContact CB-CZ 4.05Å; W6-F11 AromaticContact CD2-CE1 3.96Å; W6-F11 HydrophobicContact CD2-CE1 3.96Å; W6-F11 AromaticContact CE3-CE1 3.87Å; W6-F11 HydrophobicContact CE3-CE1 3.87Å; W6-F11 HydrophobicContact CG-CD1 4.22Å; W6-F11 AromaticContact CG-CE1 3.88Å; W6-F11 HydrophobicContact CG-CE1 3.88Å; W6-F11 PolarHBondContact O-N 3.48Å; L7-F11 HydrophobicContact CD2-CE2 4.23Å; L7-F11 HydrophobicContact CD2-CZ 4.13Å; C9-F11 PolarHBondContact O-N 3.05Å; C9-F11 VanDerWaalsContact O-N 3.13Å; F11-R13 PolarHBondContact O-N 3.4Å; F11-H14 PolarHBondContact O-N 3.07Å; F11-L15 HydrophobicContact CB-CD1 3.51Å; F11-L15 HydrophobicContact CB-CG 3.84Å; F11-L15 HydrophobicContact CG-CD1 4.08Å; F11-L15 PolarHBondContact O-N 2.61Å; F11-L15 VanDerWaalsContact O-N 3.13Å; F11-L20 HydrophobicContact CB-CD1 4.15Å; F11-L35 HydrophobicContact CD2-CD2 4.01Å; F11-L35 HydrophobicContact CE2-CB 3.98Å; F11-L35 HydrophobicContact CE2-CD2 3.89Å; F11-L35 WeakPolarHBondContact CE2-O 3.49Å; F11-L35 VanDerWaalsContact CZ-O 3.28Å; F11-L35 WeakPolarHBondContact CZ-O 3.47Å; F11-V38 HydrophobicContact CD1-CG1 3.75Å; F11-V38 HydrophobicContact CD2-CG1 3.92Å; F11-V38 HydrophobicContact CE1-CB 4.45Å; F11-V38 HydrophobicContact CE1-CG1 3.47Å; F11-V38 VanDerWaalsContact CE1-CG1 3.47Å; F11-V38 HydrophobicContact CE2-CB 4.07Å; F11-V38 HydrophobicContact CE2-CG1 3.67Å; F11-V38 HydrophobicContact CG-CG1 3.97Å; F11-V38 HydrophobicContact CZ-CB 3.97Å; F11-V38 HydrophobicContact CZ-CG1 3.44Å; F11-V38 VanDerWaalsContact CZ-CG1 3.44Å; F11-A39 HydrophobicContact CZ-CB 4.15Å; F11-L42 HydrophobicContact CD1-CD1 3.83Å; F11-L42 HydrophobicContact CE1-CD1 3.69Å
12T93.1Very high91.2Very high67 Ų6762.1 Ų62.141%0.41131%0.309SS..THydrogen-bonded Turntrans-50.2-28.5-178.4510000115.6C9 L10 L20 W24C9-T12 WeakPolarHBondContact CB-OG1 3.28Å; C9-T12 WeakPolarHBondContact O-CB 3.07Å; C9-T12 WeakPolarHBondContact O-CG2 3.38Å; C9-T12 PolarHBondContact O-N 3.14Å; C9-T12 PolarHBondContact O-OG1 3.43Å; L10-T12 PolarHBondContact O-N 2.79Å; L10-T12 VanDerWaalsContact O-N 3.14Å; T12-L20 HydrophobicContact CG2-CD1 4.4Å; T12-L20 HydrophobicContact CG2-CD2 4.07Å; T12-W24 HydrophobicContact CG2-CH2 4Å; T12-W24 HydrophobicContact CG2-CZ2 3.46Å; T12-W24 VanDerWaalsContact CG2-CZ2 3.46Å
13R90.2Very high91.8Very high175 Ų17559.2 Ų59.266%0.6630%0.296SS*.THydrogen-bonded Turntrans-91.6-9.4-177.5-59.3-172.469.2-178.91.8114.6C9 F11C9-R13 HydrophobicContact CB-CG 4.35Å; F11-R13 PolarHBondContact O-N 3.4Å
14H89.1Confident92.3Very high18 Ų1861 Ų618%0.08330%0.296CS..THydrogen-bonded Turntrans-130.4-20.7-167-61.2-78.4000115W6 F11 R70W6-H14 AromaticContact CD1-CD2 3.38Å; W6-H14 AromaticContact CD1-CG 3.74Å; W6-H14 AromaticContact CD1-NE2 3.64Å; W6-H14 AromaticContact NE1-CD2 3.88Å; W6-H14 AromaticContact NE1-CG 3.78Å; W6-H14 AromaticContact NE1-ND1 3.91Å; F11-H14 PolarHBondContact O-N 3.07Å; H14-R70 WeakPolarHBondContact O-CA 3.24Å; H14-R70 WeakPolarHBondContact O-CB 3.13Å
15L91.5Very high92.6Very high8 Ų860.4 Ų60.44%0.04229%0.29CS..SBendtrans-96.5151.5172.9-66.7175.1000111.2F11 T19 L20 V23 V38 L42 V73 F80F11-L15 HydrophobicContact CB-CD1 3.51Å; F11-L15 HydrophobicContact CB-CG 3.84Å; F11-L15 HydrophobicContact CG-CD1 4.08Å; F11-L15 PolarHBondContact O-N 2.61Å; F11-L15 VanDerWaalsContact O-N 3.13Å; L15-T19 HydrophobicContact CD2-CG2 4.5Å; L15-L20 HydrophobicContact CB-CB 4.19Å; L15-L20 HydrophobicContact CD1-CD1 4.38Å; L15-V23 HydrophobicContact CD1-CB 4.18Å; L15-V23 HydrophobicContact CD1-CG1 4.32Å; L15-V23 HydrophobicContact CD1-CG2 3.87Å; L15-V38 HydrophobicContact CD1-CG1 4.48Å; L15-L42 HydrophobicContact CD2-CD1 4.34Å; L15-L42 HydrophobicContact CD2-CD2 4.16Å; L15-V73 HydrophobicContact CD2-CG1 3.97Å; L15-V73 HydrophobicContact CD2-CG2 4.21Å; L15-F80 HydrophobicContact CD2-CE1 4.11Å; L15-F80 HydrophobicContact CD2-CZ 4.04Å
16P91.5Very high92.8Very high18 Ų1859.1 Ų59.112%0.11728%0.283CS..  trans-58.4154.1161.7-18.631.6000111.2N18 T19 L20 R70 V73 Q74P16-N18 PolarHBondContact O-N 3.17Å; P16-T19 PolarHBondContact O-N 2.6Å; P16-L20 VanDerWaalsContact O-CB 3.25Å; P16-L20 WeakPolarHBondContact O-CB 3.28Å; P16-L20 PolarHBondContact O-N 2.97Å; P16-R70 HydrophobicContact CG-CG 4.02Å; P16-V73 HydrophobicContact CG-CG1 4.38Å; P16-Q74 HydrophobicContact CG-CB 3.84Å; P16-Q74 HydrophobicContact CG-CG 4.19Å
17F91.7Very high92.9Very high144 Ų14460.6 Ų60.663%0.63229%0.289SS*.Hα-helixtrans-62.1-40.8-173.5-179.1-107.7000113.5L20 L21F17-L20 WeakPolarHBondContact O-CB 3.43Å; F17-L20 PolarHBondContact O-N 3.43Å; F17-L21 HydrophobicContact CD1-CD1 4.21Å; F17-L21 HydrophobicContact CE1-CD1 3.64Å; F17-L21 HydrophobicContact CE1-CG 4.33Å; F17-L21 HydrophobicContact CE2-CD2 4.45Å; F17-L21 HydrophobicContact CE2-CG 4.45Å; F17-L21 HydrophobicContact CZ-CD1 3.83Å; F17-L21 HydrophobicContact CZ-CD2 4.3Å; F17-L21 HydrophobicContact CZ-CG 4.2Å; F17-L21 WeakPolarHBondContact O-CG 3.24Å; F17-L21 PolarHBondContact O-N 3.21Å; F17-L21 VanDerWaalsContact O-N 3.07Å
18N91.3Very high92.9Very high103 Ų10364.7 Ų64.755%0.55130%0.304SS*.Hα-helixtrans-62.4-52.4177.9-60.6-9.9000110.5P16 L20 L21 R22 E77P16-N18 PolarHBondContact O-N 3.17Å; N18-L20 VanDerWaalsContact C-N 3.26Å; N18-L20 PolarHBondContact O-N 3.48Å; N18-L21 WeakPolarHBondContact O-CB 3.12Å; N18-L21 PolarHBondContact O-N 3.07Å; N18-L21 VanDerWaalsContact O-N 3.08Å; N18-R22 WeakPolarHBondContact O-CG 3.42Å; N18-R22 PolarHBondContact O-N 2.83Å; N18-R22 VanDerWaalsContact O-N 3.08Å; N18-E77 VanDerWaalsContact C-OE1 3.32Å; N18-E77 WeakPolarHBondContact CB-OE1 3.31Å; N18-E77 VanDerWaalsContact CB-OE2 3.31Å; N18-E77 WeakPolarHBondContact CB-OE2 3.44Å
19T93.2Very high92.8Very high0 Ų062.4 Ų62.40%030%0.302CS..Hα-helixtrans-59.7-38.1178-310000112L15 P16 R22 V23 V73 E77 F80 I81L15-T19 HydrophobicContact CD2-CG2 4.5Å; P16-T19 PolarHBondContact O-N 2.6Å; T19-R22 PolarHBondContact O-N 2.96Å; T19-V23 WeakPolarHBondContact O-CB 3.45Å; T19-V23 WeakPolarHBondContact O-CG2 3.37Å; T19-V23 PolarHBondContact O-N 3.05Å; T19-V73 HydrophobicContact CG2-CG1 3.61Å; T19-E77 VanDerWaalsContact CA-CD 3.49Å; T19-E77 VanDerWaalsContact CA-OE2 3.28Å; T19-E77 WeakPolarHBondContact CA-OE2 3.28Å; T19-E77 WeakPolarHBondContact CB-OE2 3.46Å; T19-E77 HydrophobicContact CG2-CG 4.07Å; T19-E77 VanDerWaalsContact N-CD 3.3Å; T19-E77 PolarHBondContact N-OE1 2.92Å; T19-E77 PolarHBondContact N-OE2 3.07Å; T19-E77 PolarHBondContact OG1-OE2 2.86Å; T19-F80 HydrophobicContact CG2-CD1 3.39Å; T19-F80 HydrophobicContact CG2-CE1 3.56Å; T19-I81 HydrophobicContact CG2-CD1 4.26Å
20L94.8Very high92.6Very high10 Ų1067.3 Ų67.35%0.05232%0.316CS..Hα-helixtrans-60.9-45.2176.1179.371.7000111.3L10 F11 T12 L15 P16 F17 N18 V23 W24L10-L20 VanDerWaalsContact O-CD1 3.3Å; L10-L20 WeakPolarHBondContact O-CD1 3.48Å; F11-L20 HydrophobicContact CB-CD1 4.15Å; T12-L20 HydrophobicContact CG2-CD1 4.4Å; T12-L20 HydrophobicContact CG2-CD2 4.07Å; L15-L20 HydrophobicContact CB-CB 4.19Å; L15-L20 HydrophobicContact CD1-CD1 4.38Å; P16-L20 VanDerWaalsContact O-CB 3.25Å; P16-L20 WeakPolarHBondContact O-CB 3.28Å; P16-L20 PolarHBondContact O-N 2.97Å; F17-L20 WeakPolarHBondContact O-CB 3.43Å; F17-L20 PolarHBondContact O-N 3.43Å; N18-L20 VanDerWaalsContact C-N 3.26Å; N18-L20 PolarHBondContact O-N 3.48Å; L20-V23 PolarHBondContact O-N 2.84Å; L20-W24 HydrophobicContact CD1-CZ2 4.31Å; L20-W24 HydrophobicContact CD2-CZ2 4.33Å; L20-W24 HydrophobicContact CG-CD2 4.35Å; L20-W24 HydrophobicContact CG-CZ2 4.36Å; L20-W24 WeakPolarHBondContact O-CB 3.24Å; L20-W24 VanDerWaalsContact O-CG 3.29Å; L20-W24 PolarHBondContact O-N 3.11Å
21L94.4Very high92.3Very high70 Ų7065.6 Ų65.637%0.36631%0.312SS..Hα-helixtrans-61.9-44175.3-68177.4000111.4F17 N18 V23 W24 D25F17-L21 HydrophobicContact CD1-CD1 4.21Å; F17-L21 HydrophobicContact CE1-CD1 3.64Å; F17-L21 HydrophobicContact CE1-CG 4.33Å; F17-L21 HydrophobicContact CE2-CD2 4.45Å; F17-L21 HydrophobicContact CE2-CG 4.45Å; F17-L21 HydrophobicContact CZ-CD1 3.83Å; F17-L21 HydrophobicContact CZ-CD2 4.3Å; F17-L21 HydrophobicContact CZ-CG 4.2Å; F17-L21 WeakPolarHBondContact O-CG 3.24Å; F17-L21 PolarHBondContact O-N 3.21Å; F17-L21 VanDerWaalsContact O-N 3.07Å; N18-L21 WeakPolarHBondContact O-CB 3.12Å; N18-L21 PolarHBondContact O-N 3.07Å; N18-L21 VanDerWaalsContact O-N 3.08Å; L21-V23 VanDerWaalsContact C-N 3.35Å; L21-V23 PolarHBondContact O-N 3.22Å; L21-W24 HydrophobicContact CD2-CE3 4.34Å; L21-W24 CarbonylContact O-C 3.57Å; L21-W24 WeakPolarHBondContact O-CA 3.35Å; L21-W24 WeakPolarHBondContact O-CB 3.33Å; L21-W24 PolarHBondContact O-N 3.46Å; L21-D25 PolarHBondContact O-N 2.91Å
22R94.9Very high92.1Very high130 Ų13070 Ų7049%0.49134%0.339SS..Hα-helixtrans-60.8-41.5175.4-57.1-92.565.7167.90.5112.3N18 T19 W24 D25 L26 E77 I81N18-R22 WeakPolarHBondContact O-CG 3.42Å; N18-R22 PolarHBondContact O-N 2.83Å; N18-R22 VanDerWaalsContact O-N 3.08Å; T19-R22 PolarHBondContact O-N 2.96Å; R22-W24 VanDerWaalsContact C-N 3.3Å; R22-D25 IonicContact CZ-OD2 2.69Å; R22-D25 IonicContact NE-OD2 3.46Å; R22-D25 PolarHBondContact NE-OD2 2.66Å; R22-D25 IonicContact NH2-OD2 2.73Å; R22-D25 PolarHBondContact NH2-OD2 3.02Å; R22-D25 PolarHBondContact O-N 2.77Å; R22-L26 WeakPolarHBondContact O-CG 3.49Å; R22-L26 PolarHBondContact O-N 3.46Å; R22-E77 WeakPolarHBondContact CG-OE1 3.35Å; R22-I81 HydrophobicContact CB-CD1 3.56Å; R22-I81 HydrophobicContact CB-CG1 3.88Å; R22-I81 HydrophobicContact CG-CG1 4.44Å
23V95Very high92Very high0 Ų069.8 Ų69.80%033%0.332CS..Hα-helixtrans-65.4-34.5173.4163.20000111.5L15 T19 L20 L21 F27 V38 F80 I81L15-V23 HydrophobicContact CD1-CB 4.18Å; L15-V23 HydrophobicContact CD1-CG1 4.32Å; L15-V23 HydrophobicContact CD1-CG2 3.87Å; T19-V23 WeakPolarHBondContact O-CB 3.45Å; T19-V23 WeakPolarHBondContact O-CG2 3.37Å; T19-V23 PolarHBondContact O-N 3.05Å; L20-V23 PolarHBondContact O-N 2.84Å; L21-V23 VanDerWaalsContact C-N 3.35Å; L21-V23 PolarHBondContact O-N 3.22Å; V23-F27 VanDerWaalsContact O-CB 3.24Å; V23-F27 WeakPolarHBondContact O-CB 3.19Å; V23-F27 PolarHBondContact O-N 2.71Å; V23-V38 HydrophobicContact CB-CG2 4.47Å; V23-V38 HydrophobicContact CG1-CG2 3.83Å; V23-V38 HydrophobicContact CG2-CG2 3.78Å; V23-F80 HydrophobicContact CG2-CE1 4.01Å; V23-I81 HydrophobicContact CG2-CD1 3.85Å
24W95.9Very high92.1Very high72 Ų7261.5 Ų61.527%0.27330%0.301SS..Hα-helixtrans-71.8-41.5175.8-75.38.2000112.7L10 T12 L20 L21 R22 L26 F27 F28L10-W24 HydrophobicContact CB-CZ2 4.43Å; L10-W24 PolarHBondContact O-NE1 2.81Å; T12-W24 HydrophobicContact CG2-CH2 4Å; T12-W24 HydrophobicContact CG2-CZ2 3.46Å; T12-W24 VanDerWaalsContact CG2-CZ2 3.46Å; L20-W24 HydrophobicContact CD1-CZ2 4.31Å; L20-W24 HydrophobicContact CD2-CZ2 4.33Å; L20-W24 HydrophobicContact CG-CD2 4.35Å; L20-W24 HydrophobicContact CG-CZ2 4.36Å; L20-W24 WeakPolarHBondContact O-CB 3.24Å; L20-W24 VanDerWaalsContact O-CG 3.29Å; L20-W24 PolarHBondContact O-N 3.11Å; L21-W24 HydrophobicContact CD2-CE3 4.34Å; L21-W24 CarbonylContact O-C 3.57Å; L21-W24 WeakPolarHBondContact O-CA 3.35Å; L21-W24 WeakPolarHBondContact O-CB 3.33Å; L21-W24 PolarHBondContact O-N 3.46Å; R22-W24 VanDerWaalsContact C-N 3.3Å; W24-L26 VanDerWaalsContact C-N 3.3Å; W24-L26 PolarHBondContact O-N 3.07Å; W24-F27 PolarHBondContact O-N 3.4Å; W24-F27 VanDerWaalsContact O-N 3.15Å; W24-F28 HydrophobicContact CB-CD2 4.37Å; W24-F28 HydrophobicContact CB-CE2 4.08Å; W24-F28 WeakPolarHBondContact O-CD2 3.49Å; W24-F28 PolarHBondContact O-N 3.38Å
25D95.4Very high92.3Very high76 Ų7661.2 Ų61.241%0.40630%0.3SS..Hα-helixtrans-50.7-52.3170.4-66.5-27.2000110.3L21 R22 F28 C29L21-D25 PolarHBondContact O-N 2.91Å; R22-D25 IonicContact CZ-OD2 2.69Å; R22-D25 IonicContact NE-OD2 3.46Å; R22-D25 PolarHBondContact NE-OD2 2.66Å; R22-D25 IonicContact NH2-OD2 2.73Å; R22-D25 PolarHBondContact NH2-OD2 3.02Å; R22-D25 PolarHBondContact O-N 2.77Å; D25-F28 PolarHBondContact O-N 2.84Å; D25-C29 WeakPolarHBondContact O-CB 3.17Å; D25-C29 PolarHBondContact O-N 3.44Å; D25-C29 PolarHBondContact O-SG 3.5Å
26L93.9Very high92.4Very high29 Ų2963.5 Ų63.515%0.15231%0.312CS..Hα-helixtrans-63.7-42.9178.3-68.9175.7000111.9R22 W24 C29 Y30 V34 I81 V84R22-L26 WeakPolarHBondContact O-CG 3.49Å; R22-L26 PolarHBondContact O-N 3.46Å; W24-L26 VanDerWaalsContact C-N 3.3Å; W24-L26 PolarHBondContact O-N 3.07Å; L26-C29 PolarHBondContact O-N 3.27Å; L26-Y30 HydrophobicContact CB-CD2 4.46Å; L26-Y30 HydrophobicContact CD2-CD2 3.94Å; L26-Y30 HydrophobicContact CD2-CE2 3.72Å; L26-Y30 WeakPolarHBondContact O-CB 3.34Å; L26-Y30 WeakPolarHBondContact O-CD2 3.33Å; L26-Y30 PolarHBondContact O-N 2.93Å; L26-V34 HydrophobicContact CB-CG1 3.76Å; L26-V34 HydrophobicContact CB-CG2 4.21Å; L26-I81 HydrophobicContact CD1-CG2 4.13Å; L26-V84 HydrophobicContact CD1-CG1 4.41Å
27F94.1Very high92.5Very high32 Ų3263.2 Ų63.214%0.1431%0.309CS..Hα-helixtrans-63.1-40.2178.1164.1-111.3000112.7L10 V23 W24 G31 V32 L35L10-F27 HydrophobicContact CD1-CE1 4.35Å; L10-F27 HydrophobicContact CD2-CZ 4.49Å; V23-F27 VanDerWaalsContact O-CB 3.24Å; V23-F27 WeakPolarHBondContact O-CB 3.19Å; V23-F27 PolarHBondContact O-N 2.71Å; W24-F27 PolarHBondContact O-N 3.4Å; W24-F27 VanDerWaalsContact O-N 3.15Å; F27-G31 WeakPolarHBondContact O-CA 3.3Å; F27-G31 PolarHBondContact O-N 3.05Å; F27-V32 HydrophobicContact CE2-CG1 4Å; F27-L35 HydrophobicContact CB-CD2 4.39Å; F27-L35 HydrophobicContact CD2-CD1 3.86Å; F27-L35 HydrophobicContact CD2-CD2 3.97Å; F27-L35 HydrophobicContact CD2-CG 3.73Å; F27-L35 HydrophobicContact CE2-CD1 3.67Å; F27-L35 HydrophobicContact CE2-CG 4.09Å; F27-L35 HydrophobicContact CG-CD2 4.17Å; F27-L35 HydrophobicContact CG-CG 4.43Å; F27-L35 HydrophobicContact CZ-CD1 4.39Å
28F91.5Very high92.6Very high154 Ų15456.3 Ų56.368%0.67528%0.279SS*.Hα-helixtrans-72.7-35.5176.4-67.4-56.9000112.2W24 D25W24-F28 HydrophobicContact CB-CD2 4.37Å; W24-F28 HydrophobicContact CB-CE2 4.08Å; W24-F28 WeakPolarHBondContact O-CD2 3.49Å; W24-F28 PolarHBondContact O-N 3.38Å; D25-F28 PolarHBondContact O-N 2.84Å
29C89.3Confident92.8Very high105 Ų10552.2 Ų52.271%0.70926%0.26SS*.Hα-helixtrans-71.8-43176-69.90000113.8D25 L26D25-C29 WeakPolarHBondContact O-CB 3.17Å; D25-C29 PolarHBondContact O-N 3.44Å; D25-C29 PolarHBondContact O-SG 3.5Å; L26-C29 PolarHBondContact O-N 3.27Å
30Y87.3Confident92.7Very high145 Ų14555.6 Ų55.657%0.56928%0.28SS*.Hα-helixtrans-114.7-6.3-168.2-64.4-69.5000114.8L26L26-Y30 HydrophobicContact CB-CD2 4.46Å; L26-Y30 HydrophobicContact CD2-CD2 3.94Å; L26-Y30 HydrophobicContact CD2-CE2 3.72Å; L26-Y30 WeakPolarHBondContact O-CB 3.34Å; L26-Y30 WeakPolarHBondContact O-CD2 3.33Å; L26-Y30 PolarHBondContact O-N 2.93Å
31G88.2Confident92.6Very high22 Ų2255.1 Ų55.123%0.22728%0.278CS..  trans79.1-171.9176.800000115.2F27 K33 V34F27-G31 WeakPolarHBondContact O-CA 3.3Å; F27-G31 PolarHBondContact O-N 3.05Å; G31-K33 PolarHBondContact O-N 3.08Å; G31-V34 PolarHBondContact O-N 3.45Å; G31-V34 VanDerWaalsContact O-N 3.07Å
32V87.7Confident92.5Very high93 Ų9351.9 Ų51.956%0.56426%0.261SS*.THydrogen-bonded Turntrans-52.7-20.5-172.6-63.20000115.7F27 V34 L35 L36F27-V32 HydrophobicContact CE2-CG1 4Å; V32-V34 PolarHBondContact O-N 3.3Å; V32-L35 WeakPolarHBondContact O-CB 3.46Å; V32-L35 PolarHBondContact O-N 3.49Å; V32-L36 WeakPolarHBondContact O-CD1 3.31Å
33K90.2Very high92.3Very high61 Ų6148.1 Ų48.127%0.26525%0.252SS..Hα-helixtrans-59.5-31.4176.362.7155.1-168.9158.80112.5G31 L35 L36 Q37G31-K33 PolarHBondContact O-N 3.08Å; K33-L35 VanDerWaalsContact C-N 3.3Å; K33-L35 PolarHBondContact O-N 2.96Å; K33-L36 WeakPolarHBondContact O-CB 3.49Å; K33-L36 PolarHBondContact O-N 3.36Å; K33-L36 VanDerWaalsContact O-N 3.08Å; K33-Q37 WeakPolarHBondContact O-CG 3.47Å; K33-Q37 PolarHBondContact O-N 2.95Å
34V93.5Very high92.1Very high2 Ų255.9 Ų55.91%0.01228%0.281CS..Hα-helixtrans-63.8-38.5179.71760000110.7L26 G31 V32 L36 Q37 V38 V84L26-V34 HydrophobicContact CB-CG1 3.76Å; L26-V34 HydrophobicContact CB-CG2 4.21Å; G31-V34 PolarHBondContact O-N 3.45Å; G31-V34 VanDerWaalsContact O-N 3.07Å; V32-V34 PolarHBondContact O-N 3.3Å; V34-L36 PolarHBondContact O-N 3.45Å; V34-Q37 WeakPolarHBondContact O-CB 3.42Å; V34-Q37 PolarHBondContact O-N 3.01Å; V34-Q37 VanDerWaalsContact O-N 3.08Å; V34-V38 HydrophobicContact CG1-CG2 4.17Å; V34-V38 WeakPolarHBondContact O-CB 3.44Å; V34-V38 VanDerWaalsContact O-CG2 3.27Å; V34-V38 WeakPolarHBondContact O-CG2 3.13Å; V34-V38 PolarHBondContact O-N 3.23Å; V34-V84 HydrophobicContact CG1-CG1 4.36Å
35L93.8Very high91.7Very high12 Ų1254.4 Ų54.46%0.06328%0.275CS..Hα-helixtrans-60.9-31.4176.7-54.7175.8000111.8L7 L10 F11 F27 V32 K33 A39L7-L35 HydrophobicContact CD2-CB 3.79Å; L10-L35 HydrophobicContact CD2-CD1 3.57Å; L10-L35 HydrophobicContact CD2-CD2 4.16Å; F11-L35 HydrophobicContact CD2-CD2 4.01Å; F11-L35 HydrophobicContact CE2-CB 3.98Å; F11-L35 HydrophobicContact CE2-CD2 3.89Å; F11-L35 WeakPolarHBondContact CE2-O 3.49Å; F11-L35 VanDerWaalsContact CZ-O 3.28Å; F11-L35 WeakPolarHBondContact CZ-O 3.47Å; F27-L35 HydrophobicContact CB-CD2 4.39Å; F27-L35 HydrophobicContact CD2-CD1 3.86Å; F27-L35 HydrophobicContact CD2-CD2 3.97Å; F27-L35 HydrophobicContact CD2-CG 3.73Å; F27-L35 HydrophobicContact CE2-CD1 3.67Å; F27-L35 HydrophobicContact CE2-CG 4.09Å; F27-L35 HydrophobicContact CG-CD2 4.17Å; F27-L35 HydrophobicContact CG-CG 4.43Å; F27-L35 HydrophobicContact CZ-CD1 4.39Å; V32-L35 WeakPolarHBondContact O-CB 3.46Å; V32-L35 PolarHBondContact O-N 3.49Å; K33-L35 VanDerWaalsContact C-N 3.3Å; K33-L35 PolarHBondContact O-N 2.96Å; L35-A39 WeakPolarHBondContact O-CB 3.03Å; L35-A39 PolarHBondContact O-N 3.44Å; L35-A39 VanDerWaalsContact O-N 3.09Å
36L92.9Very high91.4Very high56 Ų5650.8 Ų50.829%0.29326%0.256SS..Hα-helixtrans-80.4-36.6173.8-75.377.4000112.2V32 K33 V34 A39 V40 L89 L94V32-L36 WeakPolarHBondContact O-CD1 3.31Å; K33-L36 WeakPolarHBondContact O-CB 3.49Å; K33-L36 PolarHBondContact O-N 3.36Å; K33-L36 VanDerWaalsContact O-N 3.08Å; V34-L36 PolarHBondContact O-N 3.45Å; L36-A39 PolarHBondContact O-N 3.47Å; L36-V40 VanDerWaalsContact O-CG2 3.32Å; L36-V40 WeakPolarHBondContact O-CG2 3.2Å; L36-V40 PolarHBondContact O-N 3.42Å; L36-L89 HydrophobicContact CB-CD1 3.76Å; L36-L94 HydrophobicContact CD2-CD1 3.53Å; L36-L94 HydrophobicContact CD2-CD2 4.13Å; L36-L94 HydrophobicContact CD2-CG 4.49Å
37Q93.8Very high91Very high11 Ų1151 Ų515%0.05126%0.257CS..Hα-helixtrans-58.8-49.6172.3-66.1173-96.200109.9K33 V34 V40 V41 V84 V87 L89K33-Q37 WeakPolarHBondContact O-CG 3.47Å; K33-Q37 PolarHBondContact O-N 2.95Å; V34-Q37 WeakPolarHBondContact O-CB 3.42Å; V34-Q37 PolarHBondContact O-N 3.01Å; V34-Q37 VanDerWaalsContact O-N 3.08Å; Q37-V40 PolarHBondContact O-N 2.86Å; Q37-V41 WeakPolarHBondContact O-CG2 3.47Å; Q37-V41 PolarHBondContact O-N 3.17Å; Q37-V84 HydrophobicContact CB-CG1 4.07Å; Q37-V84 PolarHBondContact NE2-O 3.15Å; Q37-V87 HydrophobicContact CB-CB 4.28Å; Q37-V87 HydrophobicContact CG-CB 4.21Å; Q37-V87 PolarHBondContact NE2-O 3.33Å; Q37-L89 HydrophobicContact CB-CD1 4.48Å; Q37-L89 HydrophobicContact CG-CB 3.95Å; Q37-L89 HydrophobicContact CG-CD1 3.72Å; Q37-L89 HydrophobicContact CG-CG 3.82Å
38V94.6Very high90.6Very high0 Ų051.5 Ų51.50%027%0.271CS..Hα-helixtrans-54.1-54.1173.1169.90000111.3F11 L15 V23 V34 V40 V41 L42 F80 V84F11-V38 HydrophobicContact CD1-CG1 3.75Å; F11-V38 HydrophobicContact CD2-CG1 3.92Å; F11-V38 HydrophobicContact CE1-CB 4.45Å; F11-V38 HydrophobicContact CE1-CG1 3.47Å; F11-V38 VanDerWaalsContact CE1-CG1 3.47Å; F11-V38 HydrophobicContact CE2-CB 4.07Å; F11-V38 HydrophobicContact CE2-CG1 3.67Å; F11-V38 HydrophobicContact CG-CG1 3.97Å; F11-V38 HydrophobicContact CZ-CB 3.97Å; F11-V38 HydrophobicContact CZ-CG1 3.44Å; F11-V38 VanDerWaalsContact CZ-CG1 3.44Å; L15-V38 HydrophobicContact CD1-CG1 4.48Å; V23-V38 HydrophobicContact CB-CG2 4.47Å; V23-V38 HydrophobicContact CG1-CG2 3.83Å; V23-V38 HydrophobicContact CG2-CG2 3.78Å; V34-V38 HydrophobicContact CG1-CG2 4.17Å; V34-V38 WeakPolarHBondContact O-CB 3.44Å; V34-V38 VanDerWaalsContact O-CG2 3.27Å; V34-V38 WeakPolarHBondContact O-CG2 3.13Å; V34-V38 PolarHBondContact O-N 3.23Å; V38-V40 VanDerWaalsContact C-N 3.26Å; V38-V40 PolarHBondContact O-N 2.9Å; V38-V41 PolarHBondContact O-N 3.4Å; V38-V41 VanDerWaalsContact O-N 3.11Å; V38-L42 HydrophobicContact CG1-CD1 3.83Å; V38-L42 HydrophobicContact CG1-CG 4.32Å; V38-L42 VanDerWaalsContact O-CG 3.31Å; V38-L42 WeakPolarHBondContact O-CG 3.41Å; V38-L42 PolarHBondContact O-N 3.44Å; V38-F80 HydrophobicContact CG1-CZ 4.18Å; V38-V84 HydrophobicContact CG2-CG1 3.75Å; V38-V84 HydrophobicContact CG2-CG2 3.94Å
39A93.6Very high90.3Very high17 Ų1752.6 Ų52.614%0.1427%0.271CS..Hα-helixtrans-57-38.8178.800000113W6 F11 L35 L36 V43W6-A39 HydrophobicContact CE3-CB 3.94Å; W6-A39 HydrophobicContact CZ3-CB 4.11Å; F11-A39 HydrophobicContact CZ-CB 4.15Å; L35-A39 WeakPolarHBondContact O-CB 3.03Å; L35-A39 PolarHBondContact O-N 3.44Å; L35-A39 VanDerWaalsContact O-N 3.09Å; L36-A39 PolarHBondContact O-N 3.47Å; A39-V43 WeakPolarHBondContact O-CG2 3.42Å; A39-V43 PolarHBondContact O-N 3.36Å; A39-V43 VanDerWaalsContact O-N 3.16Å
40V92.6Very high90.1Very high71 Ų7149.9 Ų49.943%0.4326%0.256SS..Hα-helixtrans-67.8-42.2176.5169.30000111.6L36 Q37 V38 R44 V87L36-V40 VanDerWaalsContact O-CG2 3.32Å; L36-V40 WeakPolarHBondContact O-CG2 3.2Å; L36-V40 PolarHBondContact O-N 3.42Å; Q37-V40 PolarHBondContact O-N 2.86Å; V38-V40 VanDerWaalsContact C-N 3.26Å; V38-V40 PolarHBondContact O-N 2.9Å; V40-R44 VanDerWaalsContact O-CB 3.24Å; V40-R44 WeakPolarHBondContact O-CB 3.42Å; V40-R44 PolarHBondContact O-N 3.31Å; V40-V87 HydrophobicContact CG1-CG1 4.23Å
41V92.9Very high89.9Confident0 Ų047 Ų470%025%0.25CS..Hα-helixtrans-64.8-43.6176.6175.90000111.7Q37 V38 V43 R44 R45 F80 E83 V84 V87Q37-V41 WeakPolarHBondContact O-CG2 3.47Å; Q37-V41 PolarHBondContact O-N 3.17Å; V38-V41 PolarHBondContact O-N 3.4Å; V38-V41 VanDerWaalsContact O-N 3.11Å; V41-V43 PolarHBondContact O-N 3Å; V41-R44 CarbonylContact O-C 3.58Å; V41-R44 WeakPolarHBondContact O-CA 3.47Å; V41-R44 WeakPolarHBondContact O-CB 3.38Å; V41-R44 PolarHBondContact O-N 2.87Å; V41-R45 HydrophobicContact CG1-CG 4.26Å; V41-R45 PolarHBondContact O-N 3Å; V41-F80 HydrophobicContact CB-CD2 4.5Å; V41-F80 HydrophobicContact CB-CE2 4.04Å; V41-F80 HydrophobicContact CG1-CD2 3.54Å; V41-F80 HydrophobicContact CG1-CE2 3.53Å; V41-E83 HydrophobicContact CG1-CB 4.16Å; V41-E83 HydrophobicContact CG1-CG 3.91Å; V41-E83 WeakPolarHBondContact CG1-OE2 3.39Å; V41-E83 HydrophobicContact CG2-CB 4.39Å; V41-E83 HydrophobicContact CG2-CG 3.93Å; V41-V84 HydrophobicContact CB-CG2 3.98Å; V41-V84 HydrophobicContact CG1-CG2 4.3Å; V41-V84 HydrophobicContact CG2-CB 4.43Å; V41-V84 HydrophobicContact CG2-CG2 3.77Å; V41-V87 HydrophobicContact CG2-CG2 3.48Å; V41-V87 VanDerWaalsContact CG2-CG2 3.48Å
42L91.6Very high89.7Confident2 Ų247.7 Ų47.71%0.0125%0.248CC..Hα-helixtrans-62.7-42.4179.2-62.5175.3000111.7W6 F11 L15 V38 R44 R45 V46 V69 V73 F80W6-L42 HydrophobicContact CE3-CD1 4.43Å; W6-L42 HydrophobicContact CH2-CB 3.69Å; W6-L42 HydrophobicContact CH2-CD1 4.42Å; W6-L42 HydrophobicContact CZ2-CB 4.42Å; W6-L42 HydrophobicContact CZ3-CB 3.92Å; W6-L42 HydrophobicContact CZ3-CD1 4.32Å; F11-L42 HydrophobicContact CD1-CD1 3.83Å; F11-L42 HydrophobicContact CE1-CD1 3.69Å; L15-L42 HydrophobicContact CD2-CD1 4.34Å; L15-L42 HydrophobicContact CD2-CD2 4.16Å; V38-L42 HydrophobicContact CG1-CD1 3.83Å; V38-L42 HydrophobicContact CG1-CG 4.32Å; V38-L42 VanDerWaalsContact O-CG 3.31Å; V38-L42 WeakPolarHBondContact O-CG 3.41Å; V38-L42 PolarHBondContact O-N 3.44Å; L42-R44 VanDerWaalsContact C-N 3.34Å; L42-R45 PolarHBondContact O-N 3.15Å; L42-V46 WeakPolarHBondContact O-CG2 3.39Å; L42-V46 PolarHBondContact O-N 3.22Å; L42-V46 VanDerWaalsContact O-N 3.11Å; L42-V69 HydrophobicContact CB-CG1 4.47Å; L42-V69 HydrophobicContact CD1-CG1 4.16Å; L42-V69 HydrophobicContact CD2-CG1 3.68Å; L42-V69 HydrophobicContact CG-CG1 4.3Å; L42-V73 HydrophobicContact CD2-CG2 3.56Å; L42-F80 HydrophobicContact CD2-CD2 4.33Å; L42-F80 HydrophobicContact CD2-CE2 3.38Å; L42-F80 HydrophobicContact CD2-CZ 3.7Å; L42-F80 HydrophobicContact CG-CE2 4.03Å; L42-F80 HydrophobicContact CG-CZ 4.22Å
43V91.3Very high89.7Confident51 Ų5149.4 Ų49.431%0.30924%0.244SC..Hα-helixtrans-64.3-37.5171.8171.10000111.7F2 W6 A39 V41 L47 L66F2-V43 HydrophobicContact CE2-CG2 3.82Å; F2-V43 HydrophobicContact CZ-CG2 4.18Å; W6-V43 HydrophobicContact CH2-CG2 3.94Å; W6-V43 HydrophobicContact CZ3-CG2 3.96Å; A39-V43 WeakPolarHBondContact O-CG2 3.42Å; A39-V43 PolarHBondContact O-N 3.36Å; A39-V43 VanDerWaalsContact O-N 3.16Å; V41-V43 PolarHBondContact O-N 3Å; V43-L47 WeakPolarHBondContact O-CA 3.47Å; V43-L47 WeakPolarHBondContact O-CB 3.49Å; V43-L47 PolarHBondContact O-N 3.35Å; V43-L66 HydrophobicContact CG2-CD2 4.15Å
44R90Very high89.5Confident163 Ų16353.5 Ų53.562%0.61526%0.262SS*.Hα-helixtrans-68.1-37.7177.9-178.7178.517296.31.3112.7V40 V41 L42 G48 E83V40-R44 VanDerWaalsContact O-CB 3.24Å; V40-R44 WeakPolarHBondContact O-CB 3.42Å; V40-R44 PolarHBondContact O-N 3.31Å; V41-R44 CarbonylContact O-C 3.58Å; V41-R44 WeakPolarHBondContact O-CA 3.47Å; V41-R44 WeakPolarHBondContact O-CB 3.38Å; V41-R44 PolarHBondContact O-N 2.87Å; L42-R44 VanDerWaalsContact C-N 3.34Å; R44-G48 WeakPolarHBondContact O-CA 3.28Å; R44-G48 PolarHBondContact O-N 3.25Å; R44-E83 VanDerWaalsContact CD-OE1 3.28Å; R44-E83 WeakPolarHBondContact CD-OE1 3.25Å; R44-E83 IonicContact NE-OE1 2.63Å; R44-E83 PolarHBondContact NE-OE1 3.08Å
45R88.3Confident89Confident40 Ų4058.2 Ų58.215%0.15128%0.284CS..Hα-helixtrans-68.6-47.3175.7-73.7-176.5172-124.7-9.9111.7V41 L42 E76 T79 E83V41-R45 HydrophobicContact CG1-CG 4.26Å; V41-R45 PolarHBondContact O-N 3Å; L42-R45 PolarHBondContact O-N 3.15Å; R45-E76 IonicContact CZ-OE2 2.71Å; R45-E76 VanDerWaalsContact NH1-CB 3.33Å; R45-E76 IonicContact NH1-OE2 3.17Å; R45-E76 PolarHBondContact NH1-OE2 3.13Å; R45-E76 IonicContact NH2-OE2 3.98Å; R45-E76 PolarHBondContact NH2-OE2 2.96Å; R45-T79 PolarHBondContact NH2-OG1 3.03Å; R45-E83 IonicContact CZ-OE2 2.75Å; R45-E83 IonicContact NE-OE2 2.61Å; R45-E83 PolarHBondContact NE-OE2 3.28Å; R45-E83 IonicContact NH2-OE2 2.97Å; R45-E83 PolarHBondContact NH2-OE2 2.82Å
46V87.9Confident88.7Confident1 Ų158.2 Ų58.21%0.00629%0.285CS..Hα-helixtrans-76.2-38.6-177.91790000113.1L42 Q52 R65 L66 V69L42-V46 WeakPolarHBondContact O-CG2 3.39Å; L42-V46 PolarHBondContact O-N 3.22Å; L42-V46 VanDerWaalsContact O-N 3.11Å; V46-Q52 WeakPolarHBondContact O-CB 3.32Å; V46-R65 HydrophobicContact CG1-CB 3.71Å; V46-L66 HydrophobicContact CB-CD2 4.12Å; V46-L66 HydrophobicContact CG1-CD2 4.13Å; V46-L66 HydrophobicContact CG1-CG 4.48Å; V46-V69 HydrophobicContact CG2-CG2 3.64Å
47L87Confident88.2Confident33 Ų3360.7 Ų60.717%0.17330%0.304CS..Hα-helixtrans-123.63-170.4-58175.7000114.4V43 R53 C56 T62 L66V43-L47 WeakPolarHBondContact O-CA 3.47Å; V43-L47 WeakPolarHBondContact O-CB 3.49Å; V43-L47 PolarHBondContact O-N 3.35Å; L47-R53 HydrophobicContact CB-CG 4.44Å; L47-R53 WeakPolarHBondContact O-CD 3.41Å; L47-R53 VanDerWaalsContact O-CG 3.24Å; L47-R53 WeakPolarHBondContact O-CG 3.27Å; L47-R53 PolarHBondContact O-NH1 2.95Å; L47-C56 HydrophobicContact CD2-CB 4.47Å; L47-T62 HydrophobicContact CD1-CG2 3.9Å; L47-T62 HydrophobicContact CD2-CG2 4.43Å; L47-L66 HydrophobicContact CD1-CD1 4.01Å; L47-L66 HydrophobicContact CD1-CD2 4.19Å; L47-L66 HydrophobicContact CD1-CG 4.27Å; L47-L66 HydrophobicContact CG-CD2 4.49Å
48G84.8Confident88Confident42 Ų4261.5 Ų61.543%0.43332%0.315SS..SBendtrans-76.1-36-177.600000114.5R44 R53R44-G48 WeakPolarHBondContact O-CA 3.28Å; R44-G48 PolarHBondContact O-N 3.25Å; G48-R53 VanDerWaalsContact C-NH1 3.27Å; G48-R53 PolarHBondContact O-NH1 3.06Å
49R85.9Confident87.7Confident177 Ų17769.2 Ų69.267%0.66835%0.351SS*.SBendtrans-74.4143.4174.3-58.9-173.2-170.9-176.45.6110.2D51 Q52 R53R49-D51 VanDerWaalsContact C-N 3.31Å; R49-D51 PolarHBondContact O-N 2.62Å; R49-Q52 HydrophobicContact CB-CB 4.42Å; R49-Q52 HydrophobicContact CB-CG 3.98Å; R49-Q52 PolarHBondContact O-N 2.93Å; R49-R53 PolarHBondContact O-N 3.07Å; R49-R53 PolarHBondContact O-NH1 3.44Å
50A83.9Confident87.4Confident48 Ų4875.4 Ų75.440%0.39738%0.379SS..Hα-helixtrans-61.7-41-178.700000112Q52 R53 K54A50-Q52 PolarHBondContact O-N 2.94Å; A50-R53 WeakPolarHBondContact O-CA 3.5Å; A50-R53 WeakPolarHBondContact O-CB 3.37Å; A50-R53 PolarHBondContact O-N 2.9Å; A50-K54 PolarHBondContact O-N 3.08Å
51D83.6Confident87.3Confident84 Ų8475.4 Ų75.445%0.44937%0.374SS..Hα-helixtrans-72.4-30.9-174.8-46.7-73.2000112.4R49 R53 K54 Q55R49-D51 VanDerWaalsContact C-N 3.31Å; R49-D51 PolarHBondContact O-N 2.62Å; D51-R53 VanDerWaalsContact C-N 3.25Å; D51-R53 PolarHBondContact O-N 2.67Å; D51-K54 WeakPolarHBondContact O-CB 3.43Å; D51-K54 PolarHBondContact O-N 3.32Å; D51-K54 WeakPolarHBondContact OD1-CE 3.35Å; D51-K54 IonicContact OD1-NZ 2.67Å; D51-K54 PolarHBondContact OD1-NZ 3.11Å; D51-Q55 VanDerWaalsContact O-CG 3.31Å; D51-Q55 WeakPolarHBondContact O-CG 3.38Å; D51-Q55 PolarHBondContact O-N 3.43Å
52Q84.1Confident87.1Confident38 Ų3877 Ų7718%0.17839%0.385CS..Hα-helixtrans-66.4-28.1170.3-61.7-70.116.900112.3V46 R49 A50 Q55 C56V46-Q52 WeakPolarHBondContact O-CB 3.32Å; R49-Q52 HydrophobicContact CB-CB 4.42Å; R49-Q52 HydrophobicContact CB-CG 3.98Å; R49-Q52 PolarHBondContact O-N 2.93Å; A50-Q52 PolarHBondContact O-N 2.94Å; Q52-Q55 VanDerWaalsContact OE1-OE1 3.07Å; Q52-C56 PolarHBondContact O-SG 3.38Å
53R87.3Confident87Confident128 Ų12878.9 Ų78.948%0.48339%0.394SS..Hα-helixtrans-77.1-34171-63.2-170.2-64.7-85.12.4112.5L47 G48 R49 A50 D51 Q55 C56L47-R53 HydrophobicContact CB-CG 4.44Å; L47-R53 WeakPolarHBondContact O-CD 3.41Å; L47-R53 VanDerWaalsContact O-CG 3.24Å; L47-R53 WeakPolarHBondContact O-CG 3.27Å; L47-R53 PolarHBondContact O-NH1 2.95Å; G48-R53 VanDerWaalsContact C-NH1 3.27Å; G48-R53 PolarHBondContact O-NH1 3.06Å; R49-R53 PolarHBondContact O-N 3.07Å; R49-R53 PolarHBondContact O-NH1 3.44Å; A50-R53 WeakPolarHBondContact O-CA 3.5Å; A50-R53 WeakPolarHBondContact O-CB 3.37Å; A50-R53 PolarHBondContact O-N 2.9Å; D51-R53 VanDerWaalsContact C-N 3.25Å; D51-R53 PolarHBondContact O-N 2.67Å; R53-Q55 PolarHBondContact O-N 2.86Å; R53-C56 CarbonylContact O-C 3.55Å; R53-C56 PolarHBondContact O-N 3.45Å
54K86.6Confident86.8Confident148 Ų14882.6 Ų82.664%0.64341%0.408SS*.Hα-helixtrans-60.4-34.6171.2-61.4173.7-169.2163.90111.5A50 D51 C56A50-K54 PolarHBondContact O-N 3.08Å; D51-K54 WeakPolarHBondContact O-CB 3.43Å; D51-K54 PolarHBondContact O-N 3.32Å; D51-K54 WeakPolarHBondContact OD1-CE 3.35Å; D51-K54 IonicContact OD1-NZ 2.67Å; D51-K54 PolarHBondContact OD1-NZ 3.11Å; K54-C56 PolarHBondContact O-N 3.42Å
55Q83.5Confident86.7Confident101 Ų10178.2 Ų78.247%0.47239%0.392SS..THydrogen-bonded Turntrans-77.43.4174.8-65.1167.630.300113.8D51 Q52 R53D51-Q55 VanDerWaalsContact O-CG 3.31Å; D51-Q55 WeakPolarHBondContact O-CG 3.38Å; D51-Q55 PolarHBondContact O-N 3.43Å; Q52-Q55 VanDerWaalsContact OE1-OE1 3.07Å; R53-Q55 PolarHBondContact O-N 2.86Å
56C86.8Confident86.6Confident12 Ų1276.4 Ų76.48%0.08139%0.385CS..  trans-133.266.4177.9-66.90000110.2L47 Q52 R53 K54 G58L47-C56 HydrophobicContact CD2-CB 4.47Å; Q52-C56 PolarHBondContact O-SG 3.38Å; R53-C56 CarbonylContact O-C 3.55Å; R53-C56 PolarHBondContact O-N 3.45Å; K54-C56 PolarHBondContact O-N 3.42Å; C56-G58 VanDerWaalsContact C-N 3.32Å; C56-G58 PolarHBondContact O-N 3.36Å
57P82.5Confident86.5Confident108 Ų10884 Ų8470%0.70141%0.413SS*.  trans-69.3-30.3-175.228.7-33.8000112.5E61P57-E61 WeakPolarHBondContact CG-OE1 3.39Å
58G88.4Confident86.3Confident27 Ų2784 Ų8428%0.27842%0.421SS..SBendtrans-111.7177.8178.500000114.9C56 M60 E61 T62C56-G58 VanDerWaalsContact C-N 3.32Å; C56-G58 PolarHBondContact O-N 3.36Å; G58-M60 VanDerWaalsContact C-N 3.32Å; G58-E61 WeakPolarHBondContact CA-OE2 3.31Å; G58-E61 PolarHBondContact N-OE2 3.45Å; G58-E61 VanDerWaalsContact N-OE2 3.07Å; G58-T62 WeakPolarHBondContact O-CB 3.43Å; G58-T62 PolarHBondContact O-N 3.36Å; G58-T62 PolarHBondContact O-OG1 3.37Å
59Q88.1Confident86.2Confident163 Ų16382 Ų8276%0.76240%0.401SS*.Hα-helixtrans-72-26.3176.1-63.1-172.214.100112.5L63Q59-L63 WeakPolarHBondContact O-CB 3.2Å; Q59-L63 WeakPolarHBondContact O-CG 3.35Å; Q59-L63 PolarHBondContact O-N 2.82Å
60M88.8Confident86Confident146 Ų14680.1 Ų80.172%0.71939%0.394SS*.Hα-helixtrans-72.5-53-175.6178.8162.5163.600111.1G58 T62 L63 E64G58-M60 VanDerWaalsContact C-N 3.32Å; M60-T62 VanDerWaalsContact C-N 3.27Å; M60-T62 PolarHBondContact O-N 3.31Å; M60-L63 PolarHBondContact O-N 2.62Å; M60-L63 VanDerWaalsContact O-N 3.07Å; M60-E64 WeakPolarHBondContact O-CB 3.38Å; M60-E64 PolarHBondContact O-N 3.22Å
61E89.9Confident85.6Confident71 Ų7184.2 Ų84.233%0.33241%0.405SS..Hα-helixtrans-61.8-39.5177.5-46.991.7142.600110.3P57 G58 L63 E64 R65P57-E61 WeakPolarHBondContact CG-OE1 3.39Å; G58-E61 WeakPolarHBondContact CA-OE2 3.31Å; G58-E61 PolarHBondContact N-OE2 3.45Å; G58-E61 VanDerWaalsContact N-OE2 3.07Å; E61-L63 PolarHBondContact O-N 2.72Å; E61-E64 PolarHBondContact O-N 2.88Å; E61-R65 VanDerWaalsContact O-CB 3.31Å; E61-R65 WeakPolarHBondContact O-CB 3.41Å; E61-R65 WeakPolarHBondContact O-CG 3.42Å; E61-R65 PolarHBondContact O-N 3.08Å
62T89.8Confident85Confident35 Ų3583.2 Ų83.222%0.21540%0.397CS..Hα-helixtrans-57.5-46.1172.7-60.50000111.8L47 G58 M60 L66L47-T62 HydrophobicContact CD1-CG2 3.9Å; L47-T62 HydrophobicContact CD2-CG2 4.43Å; G58-T62 WeakPolarHBondContact O-CB 3.43Å; G58-T62 PolarHBondContact O-N 3.36Å; G58-T62 PolarHBondContact O-OG1 3.37Å; M60-T62 VanDerWaalsContact C-N 3.27Å; M60-T62 PolarHBondContact O-N 3.31Å; T62-L66 HydrophobicContact CG2-CD1 4.06Å; T62-L66 WeakPolarHBondContact O-CB 3.38Å; T62-L66 WeakPolarHBondContact O-CD1 3.49Å; T62-L66 WeakPolarHBondContact O-CG 3.29Å; T62-L66 PolarHBondContact O-N 3.06Å; T62-L66 VanDerWaalsContact O-N 3.08Å
63L88.5Confident84.6Confident40 Ų4081.5 Ų81.521%0.20939%0.389CS..Hα-helixtrans-73-33.1-179.9-75.9171.2000112.8M1 F2 Q59 M60 E61 R67M1-L63 HydrophobicContact CB-CD2 4.03Å; M1-L63 HydrophobicContact SD-CD1 4.09Å; F2-L63 HydrophobicContact CB-CD2 4.12Å; F2-L63 HydrophobicContact CD1-CD2 3.84Å; F2-L63 HydrophobicContact CG-CD2 4.46Å; Q59-L63 WeakPolarHBondContact O-CB 3.2Å; Q59-L63 WeakPolarHBondContact O-CG 3.35Å; Q59-L63 PolarHBondContact O-N 2.82Å; M60-L63 PolarHBondContact O-N 2.62Å; M60-L63 VanDerWaalsContact O-N 3.07Å; E61-L63 PolarHBondContact O-N 2.72Å; L63-R67 WeakPolarHBondContact O-CG 3.38Å; L63-R67 PolarHBondContact O-N 3.4Å; L63-R67 VanDerWaalsContact O-N 3.08Å
64E87.7Confident84Confident129 Ų12981.2 Ų81.260%0.60339%0.394SS*.Hα-helixtrans-68.5-49.1175.4-176.4159.7-139.200111.3M60 E61 L66 R67 G68M60-E64 WeakPolarHBondContact O-CB 3.38Å; M60-E64 PolarHBondContact O-N 3.22Å; E61-E64 PolarHBondContact O-N 2.88Å; E64-L66 VanDerWaalsContact C-N 3.29Å; E64-L66 PolarHBondContact O-N 3.32Å; E64-R67 CarbonylContact O-C 3.59Å; E64-R67 WeakPolarHBondContact O-CA 3.49Å; E64-R67 WeakPolarHBondContact O-CB 3.22Å; E64-R67 PolarHBondContact O-N 3.3Å; E64-G68 PolarHBondContact O-N 3.09Å
65R86.6Confident83.3Confident72 Ų7283 Ų8327%0.27240%0.404SS..Hα-helixtrans-56.9-39.7172.1-79.2-71.2-168.891.6-7.5112.7V46 E61 R67 G68 V69V46-R65 HydrophobicContact CG1-CB 3.71Å; E61-R65 VanDerWaalsContact O-CB 3.31Å; E61-R65 WeakPolarHBondContact O-CB 3.41Å; E61-R65 WeakPolarHBondContact O-CG 3.42Å; E61-R65 PolarHBondContact O-N 3.08Å; R65-R67 VanDerWaalsContact C-N 3.27Å; R65-R67 PolarHBondContact O-N 2.82Å; R65-G68 PolarHBondContact O-N 3.18Å; R65-V69 PolarHBondContact O-N 3.21Å
66L87.4Confident83.3Confident2 Ų282.5 Ų82.51%0.0140%0.402CS..Hα-helixtrans-72.8-15.4174.7-70.4171.1000113.8F2 W6 V43 V46 L47 T62 E64 V69F2-L66 HydrophobicContact CB-CB 4.28Å; F2-L66 HydrophobicContact CD1-CD1 3.62Å; F2-L66 HydrophobicContact CD2-CB 4.46Å; F2-L66 HydrophobicContact CD2-CD1 4Å; F2-L66 HydrophobicContact CE1-CD1 3.66Å; F2-L66 HydrophobicContact CE2-CD1 4.04Å; F2-L66 HydrophobicContact CG-CB 4.28Å; F2-L66 HydrophobicContact CG-CD1 3.81Å; F2-L66 HydrophobicContact CZ-CD1 3.88Å; W6-L66 HydrophobicContact CH2-CD2 3.98Å; W6-L66 HydrophobicContact CZ2-CB 4.32Å; W6-L66 HydrophobicContact CZ2-CD2 4.22Å; W6-L66 WeakPolarHBondContact CZ2-O 3.43Å; V43-L66 HydrophobicContact CG2-CD2 4.15Å; V46-L66 HydrophobicContact CB-CD2 4.12Å; V46-L66 HydrophobicContact CG1-CD2 4.13Å; V46-L66 HydrophobicContact CG1-CG 4.48Å; L47-L66 HydrophobicContact CD1-CD1 4.01Å; L47-L66 HydrophobicContact CD1-CD2 4.19Å; L47-L66 HydrophobicContact CD1-CG 4.27Å; L47-L66 HydrophobicContact CG-CD2 4.49Å; T62-L66 HydrophobicContact CG2-CD1 4.06Å; T62-L66 WeakPolarHBondContact O-CB 3.38Å; T62-L66 WeakPolarHBondContact O-CD1 3.49Å; T62-L66 WeakPolarHBondContact O-CG 3.29Å; T62-L66 PolarHBondContact O-N 3.06Å; T62-L66 VanDerWaalsContact O-N 3.08Å; E64-L66 VanDerWaalsContact C-N 3.29Å; E64-L66 PolarHBondContact O-N 3.32Å; L66-V69 WeakPolarHBondContact O-CG2 3.46Å
67R86.1Confident83.3Confident160 Ų16084.2 Ų84.260%0.60441%0.408SS*.Hα-helixtrans-86.4-40.4169.4-77168.7166.9173.8-3.6111.6L63 E64 R65 V69L63-R67 WeakPolarHBondContact O-CG 3.38Å; L63-R67 PolarHBondContact O-N 3.4Å; L63-R67 VanDerWaalsContact O-N 3.08Å; E64-R67 CarbonylContact O-C 3.59Å; E64-R67 WeakPolarHBondContact O-CA 3.49Å; E64-R67 WeakPolarHBondContact O-CB 3.22Å; E64-R67 PolarHBondContact O-N 3.3Å; R65-R67 VanDerWaalsContact C-N 3.27Å; R65-R67 PolarHBondContact O-N 2.82Å; R67-V69 PolarHBondContact O-N 2.95Å; R67-V69 VanDerWaalsContact O-N 3.14Å
68G82.9Confident83.7Confident33 Ų3387.3 Ų87.334%0.3441%0.414SS..G310 helixtrans-71.59.2175.200000115.8E64 R65 R70E64-G68 PolarHBondContact O-N 3.09Å; R65-G68 PolarHBondContact O-N 3.18Å; G68-R70 PolarHBondContact O-N 2.98Å
69V81.8Confident83.8Confident1 Ų189.2 Ų89.21%0.00642%0.42CS..G310 helixtrans-45.7-32.7179.7149.70000115.1W6 L42 V46 R65 L66 R67 E71 H72 V73W6-V69 HydrophobicContact CZ2-CG2 4Å; L42-V69 HydrophobicContact CB-CG1 4.47Å; L42-V69 HydrophobicContact CD1-CG1 4.16Å; L42-V69 HydrophobicContact CD2-CG1 3.68Å; L42-V69 HydrophobicContact CG-CG1 4.3Å; V46-V69 HydrophobicContact CG2-CG2 3.64Å; R65-V69 PolarHBondContact O-N 3.21Å; L66-V69 WeakPolarHBondContact O-CG2 3.46Å; R67-V69 PolarHBondContact O-N 2.95Å; R67-V69 VanDerWaalsContact O-N 3.14Å; V69-E71 VanDerWaalsContact C-N 3.28Å; V69-E71 PolarHBondContact O-N 3.39Å; V69-H72 WeakPolarHBondContact O-CB 3.42Å; V69-H72 PolarHBondContact O-N 3.08Å; V69-V73 HydrophobicContact CG1-CG2 4.18Å
70R80.7Confident84.1Confident136 Ų13681.5 Ų81.551%0.51338%0.384SS..G310 helixtrans-56.6-38.3-167.6-165.4177.467.9-168.8-1.4113.6H14 P16 G68 V73 Q74H14-R70 WeakPolarHBondContact O-CA 3.24Å; H14-R70 WeakPolarHBondContact O-CB 3.13Å; P16-R70 HydrophobicContact CG-CG 4.02Å; G68-R70 PolarHBondContact O-N 2.98Å; R70-V73 PolarHBondContact O-N 3.24Å; R70-Q74 PolarHBondContact O-N 3.09Å; R70-Q74 VanDerWaalsContact O-N 3.15Å
71E75.6Confident84.3Confident134 Ų13475.9 Ų75.963%0.62636%0.357SS*.Hα-helixtrans-65.2-41.5179.7-67.2166.2151.800111.3V69 V73 Q74V69-E71 VanDerWaalsContact C-N 3.28Å; V69-E71 PolarHBondContact O-N 3.39Å; E71-V73 PolarHBondContact O-N 3.16Å; E71-Q74 PolarHBondContact O-N 2.97Å
72H71Confident84.5Confident64 Ų6475.4 Ų75.430%0.29637%0.365SS..Hα-helixtrans-70.54.6-179.9-62.565.3000114.2V69V69-H72 WeakPolarHBondContact O-CB 3.42Å; V69-H72 PolarHBondContact O-N 3.08Å
73V76.3Confident84.7Confident1 Ų175.6 Ų75.61%0.00636%0.363CS..Hα-helixtrans-122.6-31.9178.4-179.30000111.1L15 P16 T19 L42 V69 R70 E71 E75 E76 E77 F80L15-V73 HydrophobicContact CD2-CG1 3.97Å; L15-V73 HydrophobicContact CD2-CG2 4.21Å; P16-V73 HydrophobicContact CG-CG1 4.38Å; T19-V73 HydrophobicContact CG2-CG1 3.61Å; L42-V73 HydrophobicContact CD2-CG2 3.56Å; V69-V73 HydrophobicContact CG1-CG2 4.18Å; R70-V73 PolarHBondContact O-N 3.24Å; E71-V73 PolarHBondContact O-N 3.16Å; V73-E75 PolarHBondContact O-N 3.14Å; V73-E76 CarbonylContact O-C 3.55Å; V73-E76 PolarHBondContact O-N 3.39Å; V73-E77 PolarHBondContact O-N 3.08Å; V73-F80 HydrophobicContact CG1-CD1 3.96Å; V73-F80 HydrophobicContact CG1-CE1 4.25Å; V73-F80 HydrophobicContact CG1-CG 4.09Å
74Q75Confident84.9Confident123 Ų12373.8 Ų73.858%0.57535%0.354SS*.Hα-helixtrans-68.1-30.6-171.4-170.2170.2-37.500114P16 R70 E71P16-Q74 HydrophobicContact CG-CB 3.84Å; P16-Q74 HydrophobicContact CG-CG 4.19Å; R70-Q74 PolarHBondContact O-N 3.09Å; R70-Q74 VanDerWaalsContact O-N 3.15Å; E71-Q74 PolarHBondContact O-N 2.97Å
75E71.8Confident85.1Confident186 Ų18671 Ų7187%0.86935%0.348SS*.THydrogen-bonded Turntrans-84.4-11.4176.2-60.8-177.1146.900113.3V73V73-E75 PolarHBondContact O-N 3.14Å
76E83.8Confident85.5Confident90 Ų9071.7 Ų71.742%0.42136%0.364SS..  trans-138.436.7-163.5-94.5-158.7-12900112.6R45 V73 E78 T79 F80R45-E76 IonicContact CZ-OE2 2.71Å; R45-E76 VanDerWaalsContact NH1-CB 3.33Å; R45-E76 IonicContact NH1-OE2 3.17Å; R45-E76 PolarHBondContact NH1-OE2 3.13Å; R45-E76 IonicContact NH2-OE2 3.98Å; R45-E76 PolarHBondContact NH2-OE2 2.96Å; V73-E76 CarbonylContact O-C 3.55Å; V73-E76 PolarHBondContact O-N 3.39Å; E76-E78 PolarHBondContact O-N 3.02Å; E76-T79 WeakPolarHBondContact CB-OG1 3.24Å; E76-T79 PolarHBondContact O-N 2.71Å; E76-T79 PolarHBondContact O-OG1 3.07Å; E76-T79 VanDerWaalsContact O-OG1 3.07Å; E76-T79 PolarHBondContact OE2-OG1 2.99Å; E76-F80 WeakPolarHBondContact O-CB 3.45Å; E76-F80 PolarHBondContact O-N 2.82Å
77E87.6Confident85.7Confident47 Ų4772.6 Ų72.622%0.2237%0.369CS..Hα-helixtrans-57.8-46.6-174.7174.6157.9148.600113.6N18 T19 R22 V73 F80 I81N18-E77 VanDerWaalsContact C-OE1 3.32Å; N18-E77 WeakPolarHBondContact CB-OE1 3.31Å; N18-E77 VanDerWaalsContact CB-OE2 3.31Å; N18-E77 WeakPolarHBondContact CB-OE2 3.44Å; T19-E77 VanDerWaalsContact CA-CD 3.49Å; T19-E77 VanDerWaalsContact CA-OE2 3.28Å; T19-E77 WeakPolarHBondContact CA-OE2 3.28Å; T19-E77 WeakPolarHBondContact CB-OE2 3.46Å; T19-E77 HydrophobicContact CG2-CG 4.07Å; T19-E77 VanDerWaalsContact N-CD 3.3Å; T19-E77 PolarHBondContact N-OE1 2.92Å; T19-E77 PolarHBondContact N-OE2 3.07Å; T19-E77 PolarHBondContact OG1-OE2 2.86Å; R22-E77 WeakPolarHBondContact CG-OE1 3.35Å; V73-E77 PolarHBondContact O-N 3.08Å; E77-F80 PolarHBondContact O-N 2.75Å; E77-I81 WeakPolarHBondContact O-CG1 3.47Å; E77-I81 PolarHBondContact O-N 2.62Å
78E89.3Confident85.8Confident173 Ų17370.9 Ų70.981%0.80838%0.379SS*.Hα-helixtrans-68.8-42-177.7-62.5-166.9161.900112.3E76 F80 I81 A82E76-E78 PolarHBondContact O-N 3.02Å; E78-F80 VanDerWaalsContact C-N 3.29Å; E78-F80 PolarHBondContact O-N 2.73Å; E78-I81 PolarHBondContact O-N 3.23Å; E78-A82 WeakPolarHBondContact O-CB 3.43Å; E78-A82 PolarHBondContact O-N 3.44Å
79T91.8Very high86Confident68 Ų6872.2 Ų72.242%0.41738%0.378SS..Hα-helixtrans-65.9-35.6176.375.50000110.6R45 E76 E83R45-T79 PolarHBondContact NH2-OG1 3.03Å; E76-T79 WeakPolarHBondContact CB-OG1 3.24Å; E76-T79 PolarHBondContact O-N 2.71Å; E76-T79 PolarHBondContact O-OG1 3.07Å; E76-T79 VanDerWaalsContact O-OG1 3.07Å; E76-T79 PolarHBondContact OE2-OG1 2.99Å; T79-E83 VanDerWaalsContact O-CB 3.28Å; T79-E83 WeakPolarHBondContact O-CB 3.45Å; T79-E83 PolarHBondContact O-N 2.87Å
80F93.2Very high86.3Confident0 Ų074.6 Ų74.60%040%0.395CS..Hα-helixtrans-66.1-47176.6171.8-103.5000111.8L15 T19 V23 V38 V41 L42 V73 E76 E77 E78 A82 E83 V84L15-F80 HydrophobicContact CD2-CE1 4.11Å; L15-F80 HydrophobicContact CD2-CZ 4.04Å; T19-F80 HydrophobicContact CG2-CD1 3.39Å; T19-F80 HydrophobicContact CG2-CE1 3.56Å; V23-F80 HydrophobicContact CG2-CE1 4.01Å; V38-F80 HydrophobicContact CG1-CZ 4.18Å; V41-F80 HydrophobicContact CB-CD2 4.5Å; V41-F80 HydrophobicContact CB-CE2 4.04Å; V41-F80 HydrophobicContact CG1-CD2 3.54Å; V41-F80 HydrophobicContact CG1-CE2 3.53Å; L42-F80 HydrophobicContact CD2-CD2 4.33Å; L42-F80 HydrophobicContact CD2-CE2 3.38Å; L42-F80 HydrophobicContact CD2-CZ 3.7Å; L42-F80 HydrophobicContact CG-CE2 4.03Å; L42-F80 HydrophobicContact CG-CZ 4.22Å; V73-F80 HydrophobicContact CG1-CD1 3.96Å; V73-F80 HydrophobicContact CG1-CE1 4.25Å; V73-F80 HydrophobicContact CG1-CG 4.09Å; E76-F80 WeakPolarHBondContact O-CB 3.45Å; E76-F80 PolarHBondContact O-N 2.82Å; E77-F80 PolarHBondContact O-N 2.75Å; E78-F80 VanDerWaalsContact C-N 3.29Å; E78-F80 PolarHBondContact O-N 2.73Å; F80-A82 VanDerWaalsContact C-N 3.34Å; F80-A82 PolarHBondContact O-N 2.76Å; F80-E83 PolarHBondContact O-N 3.08Å; F80-V84 HydrophobicContact CD1-CG2 4.47Å; F80-V84 HydrophobicContact CD2-CG2 4.31Å; F80-V84 HydrophobicContact CE1-CG2 4.08Å; F80-V84 HydrophobicContact CE2-CG2 3.88Å; F80-V84 HydrophobicContact CZ-CG2 3.78Å; F80-V84 WeakPolarHBondContact O-CB 3.45Å; F80-V84 VanDerWaalsContact O-CG2 3.3Å; F80-V84 WeakPolarHBondContact O-CG2 3.41Å; F80-V84 PolarHBondContact O-N 3.3Å
81I94.3Very high86.4Confident29 Ų2970 Ų7015%0.14939%0.39CS..Hα-helixtrans-65.1-38.8177.2-66.5-61.8000111.1T19 R22 V23 L26 E77 E78 V84 C85T19-I81 HydrophobicContact CG2-CD1 4.26Å; R22-I81 HydrophobicContact CB-CD1 3.56Å; R22-I81 HydrophobicContact CB-CG1 3.88Å; R22-I81 HydrophobicContact CG-CG1 4.44Å; V23-I81 HydrophobicContact CG2-CD1 3.85Å; L26-I81 HydrophobicContact CD1-CG2 4.13Å; E77-I81 WeakPolarHBondContact O-CG1 3.47Å; E77-I81 PolarHBondContact O-N 2.62Å; E78-I81 PolarHBondContact O-N 3.23Å; I81-V84 PolarHBondContact O-N 3.02Å; I81-C85 WeakPolarHBondContact O-CB 3.3Å; I81-C85 PolarHBondContact O-N 2.87Å; I81-C85 PolarHBondContact O-SG 3.49Å; I81-C85 VanDerWaalsContact O-SG 3.36Å
82A93.6Very high86.9Confident61 Ų6170.9 Ų70.950%0.50439%0.392SS..Hα-helixtrans-62.4-44.2171.600000112.2E78 F80 C85 S86E78-A82 WeakPolarHBondContact O-CB 3.43Å; E78-A82 PolarHBondContact O-N 3.44Å; F80-A82 VanDerWaalsContact C-N 3.34Å; F80-A82 PolarHBondContact O-N 2.76Å; A82-C85 PolarHBondContact O-N 3.37Å; A82-S86 PolarHBondContact O-N 2.82Å
83E93.6Very high87.6Confident39 Ų3971.7 Ų71.718%0.18240%0.398CS..Hα-helixtrans-62.3-44.2177.2-167.1177.5-174.500111.1V41 R44 R45 T79 F80 C85 S86 V87V41-E83 HydrophobicContact CG1-CB 4.16Å; V41-E83 HydrophobicContact CG1-CG 3.91Å; V41-E83 WeakPolarHBondContact CG1-OE2 3.39Å; V41-E83 HydrophobicContact CG2-CB 4.39Å; V41-E83 HydrophobicContact CG2-CG 3.93Å; R44-E83 VanDerWaalsContact CD-OE1 3.28Å; R44-E83 WeakPolarHBondContact CD-OE1 3.25Å; R44-E83 IonicContact NE-OE1 2.63Å; R44-E83 PolarHBondContact NE-OE1 3.08Å; R45-E83 IonicContact CZ-OE2 2.75Å; R45-E83 IonicContact NE-OE2 2.61Å; R45-E83 PolarHBondContact NE-OE2 3.28Å; R45-E83 IonicContact NH2-OE2 2.97Å; R45-E83 PolarHBondContact NH2-OE2 2.82Å; T79-E83 VanDerWaalsContact O-CB 3.28Å; T79-E83 WeakPolarHBondContact O-CB 3.45Å; T79-E83 PolarHBondContact O-N 2.87Å; F80-E83 PolarHBondContact O-N 3.08Å; E83-C85 PolarHBondContact O-N 3.38Å; E83-S86 WeakPolarHBondContact O-CB 3.4Å; E83-S86 PolarHBondContact O-N 3.06Å; E83-S86 VanDerWaalsContact O-N 3.08Å; E83-S86 PolarHBondContact O-OG 3.43Å; E83-V87 WeakPolarHBondContact O-CG2 3.36Å; E83-V87 PolarHBondContact O-N 3.31Å
84V93.9Very high88Confident1 Ų174 Ų741%0.00641%0.41CS..Hα-helixtrans-58.7-45.1175167.70000111.5L26 V34 Q37 V38 V41 F80 I81 S86 V87L26-V84 HydrophobicContact CD1-CG1 4.41Å; V34-V84 HydrophobicContact CG1-CG1 4.36Å; Q37-V84 HydrophobicContact CB-CG1 4.07Å; Q37-V84 PolarHBondContact NE2-O 3.15Å; V38-V84 HydrophobicContact CG2-CG1 3.75Å; V38-V84 HydrophobicContact CG2-CG2 3.94Å; V41-V84 HydrophobicContact CB-CG2 3.98Å; V41-V84 HydrophobicContact CG1-CG2 4.3Å; V41-V84 HydrophobicContact CG2-CB 4.43Å; V41-V84 HydrophobicContact CG2-CG2 3.77Å; F80-V84 HydrophobicContact CD1-CG2 4.47Å; F80-V84 HydrophobicContact CD2-CG2 4.31Å; F80-V84 HydrophobicContact CE1-CG2 4.08Å; F80-V84 HydrophobicContact CE2-CG2 3.88Å; F80-V84 HydrophobicContact CZ-CG2 3.78Å; F80-V84 WeakPolarHBondContact O-CB 3.45Å; F80-V84 VanDerWaalsContact O-CG2 3.3Å; F80-V84 WeakPolarHBondContact O-CG2 3.41Å; F80-V84 PolarHBondContact O-N 3.3Å; I81-V84 PolarHBondContact O-N 3.02Å; V84-S86 VanDerWaalsContact C-N 3.3Å; V84-S86 PolarHBondContact O-N 2.86Å; V84-V87 PolarHBondContact O-N 2.88Å
85C91.9Very high88.5Confident72 Ų7274 Ų7449%0.48641%0.41SS..Hα-helixtrans-63.6-34.2174.8-73.80000112.6I81 A82 E83 V87I81-C85 WeakPolarHBondContact O-CB 3.3Å; I81-C85 PolarHBondContact O-N 2.87Å; I81-C85 PolarHBondContact O-SG 3.49Å; I81-C85 VanDerWaalsContact O-SG 3.36Å; A82-C85 PolarHBondContact O-N 3.37Å; E83-C85 PolarHBondContact O-N 3.38Å; C85-V87 PolarHBondContact O-N 3.21Å
86S93.1Very high89.3Confident85 Ų8570.2 Ų70.259%0.59439%0.391SS*.Hα-helixtrans-71.1-24.1-179.981.60000114.6A82 E83 V84 P88A82-S86 PolarHBondContact O-N 2.82Å; E83-S86 WeakPolarHBondContact O-CB 3.4Å; E83-S86 PolarHBondContact O-N 3.06Å; E83-S86 VanDerWaalsContact O-N 3.08Å; E83-S86 PolarHBondContact O-OG 3.43Å; V84-S86 VanDerWaalsContact C-N 3.3Å; V84-S86 PolarHBondContact O-N 2.86Å; S86-P88 VanDerWaalsContact O-CD 3.28Å; S86-P88 WeakPolarHBondContact O-CD 3.44Å
87V93.4Very high89.5Confident21 Ų2173 Ų7313%0.12740%0.397CS..SBendtrans-66.5117.8-175.1-171.50000111Q37 V40 V41 E83 V84 C85 L89Q37-V87 HydrophobicContact CB-CB 4.28Å; Q37-V87 HydrophobicContact CG-CB 4.21Å; Q37-V87 PolarHBondContact NE2-O 3.33Å; V40-V87 HydrophobicContact CG1-CG1 4.23Å; V41-V87 HydrophobicContact CG2-CG2 3.48Å; V41-V87 VanDerWaalsContact CG2-CG2 3.48Å; E83-V87 WeakPolarHBondContact O-CG2 3.36Å; E83-V87 PolarHBondContact O-N 3.31Å; V84-V87 PolarHBondContact O-N 2.88Å; C85-V87 PolarHBondContact O-N 3.21Å; V87-L89 HydrophobicContact CG1-CD2 4.3Å; V87-L89 HydrophobicContact CG1-CG 4.04Å; V87-L89 PolarHBondContact O-N 3.07Å
88P87.7Confident89.4Confident124 Ų12473.3 Ų73.381%0.80540%0.402SS*.  trans-79.575.6-17432.6-36.2000112.5S86S86-P88 VanDerWaalsContact O-CD 3.28Å; S86-P88 WeakPolarHBondContact O-CD 3.44Å
89L87.3Confident89.3Confident61 Ų6169.6 Ų69.632%0.31939%0.385SS..  trans-96.499.5172.1-63.4-165.1000112.4L36 Q37 V87L36-L89 HydrophobicContact CB-CD1 3.76Å; Q37-L89 HydrophobicContact CB-CD1 4.48Å; Q37-L89 HydrophobicContact CG-CB 3.95Å; Q37-L89 HydrophobicContact CG-CD1 3.72Å; Q37-L89 HydrophobicContact CG-CG 3.82Å; V87-L89 HydrophobicContact CG1-CD2 4.3Å; V87-L89 HydrophobicContact CG1-CG 4.04Å; V87-L89 PolarHBondContact O-N 3.07Å
90S87.8Confident89.2Confident52 Ų5273.3 Ų73.336%0.36440%0.396SS..  trans-72.1127169.5160.70000111.4K92 D93 L94S90-K92 VanDerWaalsContact C-N 3.26Å; S90-K92 PolarHBondContact O-N 2.89Å; S90-K92 PolarHBondContact OG-N 3.07Å; S90-D93 WeakPolarHBondContact CB-OD2 3.48Å; S90-D93 PolarHBondContact O-N 3.41Å; S90-D93 PolarHBondContact OG-OD2 3.13Å; S90-L94 PolarHBondContact O-N 3.38Å; S90-L94 VanDerWaalsContact O-N 3.09Å
91G83.1Confident89Confident40 Ų4077.5 Ų77.541%0.41242%0.415SS..Hα-helixtrans-59.6-34.9176.600000113.2D93 L94 E95G91-D93 PolarHBondContact O-N 3.26Å; G91-L94 PolarHBondContact O-N 2.87Å; G91-E95 WeakPolarHBondContact O-CG 3.33Å; G91-E95 PolarHBondContact O-N 3.39Å
92K84.8Confident88.6Confident152 Ų15276.6 Ų76.666%0.66141%0.41SS*.Hα-helixtrans-62.9-31.7176.4-63.8176.2-178.7171.90111.9S90 K96S90-K92 VanDerWaalsContact C-N 3.26Å; S90-K92 PolarHBondContact O-N 2.89Å; S90-K92 PolarHBondContact OG-N 3.07Å; K92-K96 WeakPolarHBondContact O-CD 3.27Å; K92-K96 WeakPolarHBondContact O-CE 3.4Å; K92-K96 WeakPolarHBondContact O-CG 3.44Å; K92-K96 PolarHBondContact O-N 3.2Å; K92-K96 VanDerWaalsContact O-N 3.13Å
93D86.4Confident88.3Confident81 Ų8175.1 Ų75.143%0.43340%0.401SS..Hα-helixtrans-87.8-30.3-176.8-63.1-69.8000111.8S90 G91 K96 R97S90-D93 WeakPolarHBondContact CB-OD2 3.48Å; S90-D93 PolarHBondContact O-N 3.41Å; S90-D93 PolarHBondContact OG-OD2 3.13Å; G91-D93 PolarHBondContact O-N 3.26Å; D93-K96 WeakPolarHBondContact OD1-CD 3.49Å; D93-K96 WeakPolarHBondContact OD1-CE 3.4Å; D93-K96 IonicContact OD1-NZ 2.59Å; D93-K96 PolarHBondContact OD1-NZ 2.96Å; D93-K96 IonicContact OD2-NZ 3.74Å; D93-R97 WeakPolarHBondContact O-CB 3.28Å; D93-R97 PolarHBondContact O-N 2.95Å
94L85Confident88.1Confident50 Ų5081.3 Ų81.326%0.26242%0.423SS..Hα-helixtrans-60.3-48.6163.1-17955.4000111.2L36 S90 G91 K96 R97 T98L36-L94 HydrophobicContact CD2-CD1 3.53Å; L36-L94 HydrophobicContact CD2-CD2 4.13Å; L36-L94 HydrophobicContact CD2-CG 4.49Å; S90-L94 PolarHBondContact O-N 3.38Å; S90-L94 VanDerWaalsContact O-N 3.09Å; G91-L94 PolarHBondContact O-N 2.87Å; L94-K96 PolarHBondContact O-N 3.14Å; L94-R97 WeakPolarHBondContact O-CB 3.38Å; L94-R97 PolarHBondContact O-N 2.93Å; L94-T98 PolarHBondContact O-N 3.39Å; L94-T98 PolarHBondContact O-OG1 3.07Å; L94-T98 VanDerWaalsContact O-OG1 3.14Å
95E84.6Confident87.8Confident123 Ų12384.5 Ų84.558%0.57544%0.435SS*.Hα-helixtrans-58.7-46.2176.9-75.2179.9151.400112.6G91 R97 T98 E99G91-E95 WeakPolarHBondContact O-CG 3.33Å; G91-E95 PolarHBondContact O-N 3.39Å; E95-R97 VanDerWaalsContact C-N 3.29Å; E95-R97 PolarHBondContact O-N 3.32Å; E95-T98 PolarHBondContact O-N 2.86Å; E95-E99 WeakPolarHBondContact O-CB 3.48Å; E95-E99 PolarHBondContact O-N 3.44Å
96K88.5Confident87.6Confident105 Ų10586 Ų8646%0.45743%0.43SS..Hα-helixtrans-59-38.3173.1-71.3166.5-152.1167.60112.1K92 D93 L94 K100K92-K96 WeakPolarHBondContact O-CD 3.27Å; K92-K96 WeakPolarHBondContact O-CE 3.4Å; K92-K96 WeakPolarHBondContact O-CG 3.44Å; K92-K96 PolarHBondContact O-N 3.2Å; K92-K96 VanDerWaalsContact O-N 3.13Å; D93-K96 WeakPolarHBondContact OD1-CD 3.49Å; D93-K96 WeakPolarHBondContact OD1-CE 3.4Å; D93-K96 IonicContact OD1-NZ 2.59Å; D93-K96 PolarHBondContact OD1-NZ 2.96Å; D93-K96 IonicContact OD2-NZ 3.74Å; L94-K96 PolarHBondContact O-N 3.14Å; K96-K100 WeakPolarHBondContact O-CB 3.32Å; K96-K100 VanDerWaalsContact O-CG 3.29Å; K96-K100 WeakPolarHBondContact O-CG 3.29Å; K96-K100 PolarHBondContact O-N 2.91Å
97R88.3Confident87.5Confident148 Ų14890 Ų9056%0.55844%0.437SS*.Hα-helixtrans-70-48179.9-175.268.6-165-152.61.7110.9D93 L94 E95 E99 K100 E101D93-R97 WeakPolarHBondContact O-CB 3.28Å; D93-R97 PolarHBondContact O-N 2.95Å; L94-R97 WeakPolarHBondContact O-CB 3.38Å; L94-R97 PolarHBondContact O-N 2.93Å; E95-R97 VanDerWaalsContact C-N 3.29Å; E95-R97 PolarHBondContact O-N 3.32Å; R97-E99 VanDerWaalsContact C-N 3.28Å; R97-E99 PolarHBondContact O-N 3.13Å; R97-K100 PolarHBondContact O-N 3.41Å; R97-E101 IonicContact CZ-OE1 2.84Å; R97-E101 IonicContact NE-OE1 3.68Å; R97-E101 PolarHBondContact NE-OE1 3.44Å; R97-E101 IonicContact NH2-OE1 2.7Å; R97-E101 PolarHBondContact NH2-OE1 3.31Å; R97-E101 PolarHBondContact O-N 3.43Å
98T85.4Confident87.4Confident54 Ų5494.7 Ų94.733%0.33146%0.461SS..Hα-helixtrans-59.4-38.3174.3-54.40000111.7L94 E95 E101 L102L94-T98 PolarHBondContact O-N 3.39Å; L94-T98 PolarHBondContact O-OG1 3.07Å; L94-T98 VanDerWaalsContact O-OG1 3.14Å; E95-T98 PolarHBondContact O-N 2.86Å; T98-E101 PolarHBondContact O-N 3.4Å; T98-L102 HydrophobicContact CG2-CD1 4.16Å; T98-L102 WeakPolarHBondContact O-CB 3.4Å; T98-L102 VanDerWaalsContact O-CG 3.32Å; T98-L102 WeakPolarHBondContact O-CG 3.37Å; T98-L102 PolarHBondContact O-N 2.88Å
99E87.6Confident87.4Confident95 Ų9594.8 Ų94.844%0.44445%0.449SS..Hα-helixtrans-66.9-42.1175.4-172.7158.6-107.600112.8E95 R97 E101 L102 G103 R117E95-E99 WeakPolarHBondContact O-CB 3.48Å; E95-E99 PolarHBondContact O-N 3.44Å; R97-E99 VanDerWaalsContact C-N 3.28Å; R97-E99 PolarHBondContact O-N 3.13Å; E99-E101 VanDerWaalsContact C-N 3.32Å; E99-E101 PolarHBondContact O-N 3.34Å; E99-L102 PolarHBondContact O-N 3.2Å; E99-G103 PolarHBondContact O-N 2.88Å; E99-R117 VanDerWaalsContact CD-NH2 3.27Å; E99-R117 IonicContact OE1-CZ 3.22Å; E99-R117 IonicContact OE1-NH1 3.93Å; E99-R117 PolarHBondContact OE1-NH1 2.73Å; E99-R117 IonicContact OE1-NH2 3.05Å; E99-R117 PolarHBondContact OE1-NH2 2.85Å; E99-R117 IonicContact OE2-NH2 2.84Å
100K90.3Very high87.3Confident147 Ų14797.2 Ų97.264%0.63947%0.469SS*.Hα-helixtrans-62.9-37.5173.7-75.5172.8179.7-177.30112.2K96 R97 G103 R104K96-K100 WeakPolarHBondContact O-CB 3.32Å; K96-K100 VanDerWaalsContact O-CG 3.29Å; K96-K100 WeakPolarHBondContact O-CG 3.29Å; K96-K100 PolarHBondContact O-N 2.91Å; R97-K100 PolarHBondContact O-N 3.41Å; K100-G103 CarbonylContact O-C 3.58Å; K100-G103 PolarHBondContact O-N 3.4Å; K100-R104 PolarHBondContact O-N 3.28Å
101E88Confident87.1Confident87 Ų87100.1 Ų100.141%0.40749%0.489SS..Hα-helixtrans-74.3-37.6178.1-75.2172.2175.600112.2R97 T98 E99 G103 R104 W105R97-E101 IonicContact CZ-OE1 2.84Å; R97-E101 IonicContact NE-OE1 3.68Å; R97-E101 PolarHBondContact NE-OE1 3.44Å; R97-E101 IonicContact NH2-OE1 2.7Å; R97-E101 PolarHBondContact NH2-OE1 3.31Å; R97-E101 PolarHBondContact O-N 3.43Å; T98-E101 PolarHBondContact O-N 3.4Å; E99-E101 VanDerWaalsContact C-N 3.32Å; E99-E101 PolarHBondContact O-N 3.34Å; E101-G103 VanDerWaalsContact C-N 3.28Å; E101-G103 PolarHBondContact O-N 2.92Å; E101-R104 PolarHBondContact O-N 3.42Å; E101-W105 VanDerWaalsContact O-CB 3.27Å; E101-W105 WeakPolarHBondContact O-CB 3.35Å; E101-W105 PolarHBondContact O-N 3.01Å
102L86.8Confident87Confident10 Ų10100.5 Ų100.55%0.05249%0.485CS..Hα-helixtrans-64.1-33.3167.5-72169.3000112.6T98 E99 R104 W105 R106 P116 R117T98-L102 HydrophobicContact CG2-CD1 4.16Å; T98-L102 WeakPolarHBondContact O-CB 3.4Å; T98-L102 VanDerWaalsContact O-CG 3.32Å; T98-L102 WeakPolarHBondContact O-CG 3.37Å; T98-L102 PolarHBondContact O-N 2.88Å; E99-L102 PolarHBondContact O-N 3.2Å; L102-R104 VanDerWaalsContact C-N 3.32Å; L102-W105 HydrophobicContact CD2-CE3 4.44Å; L102-R106 WeakPolarHBondContact O-CB 3.36Å; L102-R106 PolarHBondContact O-N 3.37Å; L102-P116 HydrophobicContact CD1-CG 3.9Å; L102-P116 VanDerWaalsContact CD2-CD 3.41Å; L102-P116 HydrophobicContact CD2-CG 3.74Å; L102-P116 HydrophobicContact CG-CG 4.31Å; L102-R117 HydrophobicContact CD1-CG 4.46Å
103G87.4Confident86.7Confident30 Ų30100 Ų10031%0.30950%0.495SS..Hα-helixtrans-71.6-20.9173.500000114.5E99 K100 E101 K107E99-G103 PolarHBondContact O-N 2.88Å; K100-G103 CarbonylContact O-C 3.58Å; K100-G103 PolarHBondContact O-N 3.4Å; E101-G103 VanDerWaalsContact C-N 3.28Å; E101-G103 PolarHBondContact O-N 2.92Å; G103-K107 WeakPolarHBondContact O-CD 3.23Å; G103-K107 WeakPolarHBondContact O-CE 3.34Å; G103-K107 WeakPolarHBondContact O-CG 3.36Å
104R89.6Confident86.3Confident169 Ų169100.6 Ų100.664%0.63849%0.494SS*.Hα-helixtrans-82.6-56.2167.3-73.9174.3173.3-881.6110.1K100 E101 L102 R106 K107 D108K100-R104 PolarHBondContact O-N 3.28Å; E101-R104 PolarHBondContact O-N 3.42Å; L102-R104 VanDerWaalsContact C-N 3.32Å; R104-R106 VanDerWaalsContact C-N 3.27Å; R104-R106 PolarHBondContact O-N 3.18Å; R104-R106 VanDerWaalsContact O-N 3.13Å; R104-K107 WeakPolarHBondContact O-CA 3.3Å; R104-K107 VanDerWaalsContact O-CB 3.29Å; R104-K107 WeakPolarHBondContact O-CB 3.45Å; R104-K107 PolarHBondContact O-N 3.02Å; R104-D108 PolarHBondContact O-N 3.44Å; R104-D108 VanDerWaalsContact O-OD2 3.1Å
105W87Confident85.6Confident68 Ų68101.1 Ų101.126%0.25850%0.497SS..Hα-helixtrans-56.2-34.9-177.1176.992.3000113.6E101 L102 K107 D108 K109 S112 F114E101-W105 VanDerWaalsContact O-CB 3.27Å; E101-W105 WeakPolarHBondContact O-CB 3.35Å; E101-W105 PolarHBondContact O-N 3.01Å; L102-W105 HydrophobicContact CD2-CE3 4.44Å; W105-K107 VanDerWaalsContact C-N 3.33Å; W105-K107 PolarHBondContact O-N 3.36Å; W105-D108 PolarHBondContact O-N 2.85Å; W105-K109 PolarHBondContact O-N 3.44Å; W105-S112 VanDerWaalsContact CH2-O 3.29Å; W105-S112 WeakPolarHBondContact CH2-O 3.38Å; W105-S112 VanDerWaalsContact CH2-OG 3.32Å; W105-S112 WeakPolarHBondContact CH2-OG 3.29Å; W105-S112 VanDerWaalsContact CZ2-OG 3.28Å; W105-S112 WeakPolarHBondContact CZ2-OG 3.4Å; W105-F114 HydrophobicContact CH2-CB 3.58Å; W105-F114 AromaticContact CH2-CD1 3.74Å; W105-F114 HydrophobicContact CH2-CD1 3.74Å; W105-F114 HydrophobicContact CH2-CG 4.15Å; W105-F114 WeakPolarHBondContact CH2-O 3.34Å; W105-F114 HydrophobicContact CZ2-CB 3.94Å; W105-F114 AromaticContact CZ2-CD1 3.72Å; W105-F114 HydrophobicContact CZ2-CD1 3.72Å; W105-F114 HydrophobicContact CZ2-CG 4.22Å; W105-F114 HydrophobicContact CZ3-CB 4.49Å; W105-F114 HydrophobicContact CZ3-CD1 4.2Å; W105-F114 WeakPolarHBondContact CZ3-O 3.45Å
106R87.6Confident84.9Confident103 Ų10396.9 Ų96.939%0.38948%0.481SS..Hα-helixtrans-71.9-17.9172.1-79.4-168.8-81.8-118.73.9115L102 R104 P110 D115L102-R106 WeakPolarHBondContact O-CB 3.36Å; L102-R106 PolarHBondContact O-N 3.37Å; R104-R106 VanDerWaalsContact C-N 3.27Å; R104-R106 PolarHBondContact O-N 3.18Å; R104-R106 VanDerWaalsContact O-N 3.13Å; R106-P110 WeakPolarHBondContact O-CA 3.49Å; R106-D115 IonicContact NH1-OD2 3.49Å; R106-D115 PolarHBondContact NH1-OD2 3.13Å
107K91.3Very high84Confident170 Ų17096.7 Ų96.774%0.73948%0.477SS*.Hα-helixtrans-85-40.4169.1-61.9174.5-178.7-169.70110.9G103 R104 W105 K109G103-K107 WeakPolarHBondContact O-CD 3.23Å; G103-K107 WeakPolarHBondContact O-CE 3.34Å; G103-K107 WeakPolarHBondContact O-CG 3.36Å; R104-K107 WeakPolarHBondContact O-CA 3.3Å; R104-K107 VanDerWaalsContact O-CB 3.29Å; R104-K107 WeakPolarHBondContact O-CB 3.45Å; R104-K107 PolarHBondContact O-N 3.02Å; W105-K107 VanDerWaalsContact C-N 3.33Å; W105-K107 PolarHBondContact O-N 3.36Å; K107-K109 VanDerWaalsContact C-N 3.34Å
108D90.7Very high82.8Confident119 Ų11992.1 Ų92.164%0.63648%0.476SS*.Hα-helixtrans-73.4-28.3-178.2-47.3-32.2000111.6R104 W105R104-D108 PolarHBondContact O-N 3.44Å; R104-D108 VanDerWaalsContact O-OD2 3.1Å; W105-D108 PolarHBondContact O-N 2.85Å
109K88.6Confident81.8Confident126 Ų12697 Ų9755%0.54849%0.488SS..  trans-135.775.9173.3-73-169.7172.3-177.40111.7W105 K107 S111 S112W105-K109 PolarHBondContact O-N 3.44Å; K107-K109 VanDerWaalsContact C-N 3.34Å; K109-S111 PolarHBondContact O-N 2.82Å; K109-S112 PolarHBondContact O-N 3.47Å; K109-S112 VanDerWaalsContact O-N 3.16Å
110P84.2Confident80.5Confident112 Ų11297.1 Ų97.173%0.72750%0.498SS*.THydrogen-bonded Turntrans-67.1-19.6-177.128.6-35.3000113.7R106 S112R106-P110 WeakPolarHBondContact O-CA 3.49Å; P110-S112 VanDerWaalsContact C-N 3.31Å
111S82.9Confident79.5Confident113 Ų11397 Ų9779%0.7950%0.495SS*.THydrogen-bonded Turntrans-81.2-1.8176.154.50000114.5K109K109-S111 PolarHBondContact O-N 2.82Å
112S82.5Confident78.8Confident48 Ų4895.4 Ų95.434%0.33650%0.502SS..  trans-105.2115.3-169.4-161.20000113.3W105 K109 P110 F114W105-S112 VanDerWaalsContact CH2-O 3.29Å; W105-S112 WeakPolarHBondContact CH2-O 3.38Å; W105-S112 VanDerWaalsContact CH2-OG 3.32Å; W105-S112 WeakPolarHBondContact CH2-OG 3.29Å; W105-S112 VanDerWaalsContact CZ2-OG 3.28Å; W105-S112 WeakPolarHBondContact CZ2-OG 3.4Å; K109-S112 PolarHBondContact O-N 3.47Å; K109-S112 VanDerWaalsContact O-N 3.16Å; P110-S112 VanDerWaalsContact C-N 3.31Å; S112-F114 PolarHBondContact O-N 2.95Å
113T78.9Confident78.2Confident142 Ų142102.1 Ų102.187%0.87153%0.528SS*.  trans-76.80.2-176.2-29.30000114.5D115T113-D115 PolarHBondContact O-N 2.76Å
114F76.6Confident77.6Confident93 Ų93106.1 Ų106.141%0.40853%0.534SS..  trans-66.4116.3-175.6161.7-85.3000111.6W105 S112 P116W105-F114 HydrophobicContact CH2-CB 3.58Å; W105-F114 AromaticContact CH2-CD1 3.74Å; W105-F114 HydrophobicContact CH2-CD1 3.74Å; W105-F114 HydrophobicContact CH2-CG 4.15Å; W105-F114 WeakPolarHBondContact CH2-O 3.34Å; W105-F114 HydrophobicContact CZ2-CB 3.94Å; W105-F114 AromaticContact CZ2-CD1 3.72Å; W105-F114 HydrophobicContact CZ2-CD1 3.72Å; W105-F114 HydrophobicContact CZ2-CG 4.22Å; W105-F114 HydrophobicContact CZ3-CB 4.49Å; W105-F114 HydrophobicContact CZ3-CD1 4.2Å; W105-F114 WeakPolarHBondContact CZ3-O 3.45Å; S112-F114 PolarHBondContact O-N 2.95Å; F114-P116 HydrophobicContact CE1-CB 4.35Å; F114-P116 HydrophobicContact CE1-CG 4.19Å; F114-P116 HydrophobicContact CZ-CB 4.1Å; F114-P116 HydrophobicContact CZ-CG 4.43Å
115D71.1Confident76.9Confident61 Ų61101.6 Ų101.633%0.32652%0.52SS..  trans-121111.4166.7-163.2-39.4000110R106 T113 R117 G118R106-D115 IonicContact NH1-OD2 3.49Å; R106-D115 PolarHBondContact NH1-OD2 3.13Å; T113-D115 PolarHBondContact O-N 2.76Å; D115-R117 PolarHBondContact O-N 3.22Å; D115-R117 WeakPolarHBondContact OD1-CB 3.42Å; D115-R117 VanDerWaalsContact OD1-CG 3.28Å; D115-R117 WeakPolarHBondContact OD1-CG 3.06Å; D115-R117 PolarHBondContact OD1-N 3.29Å; D115-G118 PolarHBondContact O-N 3.18Å
116P70.1Confident76.5Confident35 Ų35100.6 Ų100.623%0.22753%0.527CS..THydrogen-bonded Turntrans-69.4-12.4-179.731.6-36.2000112.7L102 F114 G118 R119L102-P116 HydrophobicContact CD1-CG 3.9Å; L102-P116 VanDerWaalsContact CD2-CD 3.41Å; L102-P116 HydrophobicContact CD2-CG 3.74Å; L102-P116 HydrophobicContact CG-CG 4.31Å; F114-P116 HydrophobicContact CE1-CB 4.35Å; F114-P116 HydrophobicContact CE1-CG 4.19Å; F114-P116 HydrophobicContact CZ-CB 4.1Å; F114-P116 HydrophobicContact CZ-CG 4.43Å; P116-G118 VanDerWaalsContact C-N 3.25Å; P116-G118 PolarHBondContact O-N 2.93Å; P116-R119 PolarHBondContact O-N 3.34Å
117R68.8Low76Confident100 Ų100102.7 Ų102.738%0.37754%0.535SS..THydrogen-bonded Turntrans-67.8-25.6175.3-63.4177.3154.8177.5-5.6112.8E99 L102 D115 R124E99-R117 VanDerWaalsContact CD-NH2 3.27Å; E99-R117 IonicContact OE1-CZ 3.22Å; E99-R117 IonicContact OE1-NH1 3.93Å; E99-R117 PolarHBondContact OE1-NH1 2.73Å; E99-R117 IonicContact OE1-NH2 3.05Å; E99-R117 PolarHBondContact OE1-NH2 2.85Å; E99-R117 IonicContact OE2-NH2 2.84Å; L102-R117 HydrophobicContact CD1-CG 4.46Å; D115-R117 PolarHBondContact O-N 3.22Å; D115-R117 WeakPolarHBondContact OD1-CB 3.42Å; D115-R117 VanDerWaalsContact OD1-CG 3.28Å; D115-R117 WeakPolarHBondContact OD1-CG 3.06Å; D115-R117 PolarHBondContact OD1-N 3.29Å; R117-R124 PolarHBondContact O-NH2 2.93Å
118G64Low75.6Confident52 Ų5296.1 Ų96.154%0.53651%0.512SS..THydrogen-bonded Turntrans-75.4-26.8174.200000113.3D115 P116 Y121D115-G118 PolarHBondContact O-N 3.18Å; P116-G118 VanDerWaalsContact C-N 3.25Å; P116-G118 PolarHBondContact O-N 2.93Å; G118-Y121 PolarHBondContact O-N 3.02Å
119R63.3Low75.2Confident157 Ų15797.8 Ų97.859%0.59251%0.509SS*.THydrogen-bonded Turntrans-63.7142.8173.5-62.2-166.1-69.9-171.10.9109.7P116 Y121P116-R119 PolarHBondContact O-N 3.34Å; R119-Y121 VanDerWaalsContact C-N 3.28Å; R119-Y121 PolarHBondContact O-N 3.18Å
120C61.1Low74.9Confident98 Ų9896.1 Ų96.166%0.66251%0.51SS*.THydrogen-bonded Turntrans59.728-176.4-53.90000115.3G122 Y123 R124C120-G122 PolarHBondContact O-N 2.8Å; C120-Y123 WeakPolarHBondContact O-CB 3.1Å; C120-Y123 PolarHBondContact O-N 3.38Å; C120-R124 PolarHBondContact O-N 2.88Å
121Y69.7Low74.8Confident144 Ų14497.4 Ų97.457%0.56550%0.5SS*.Hα-helixtrans-50.4-40.5173.4-178.8-99.5000113.2G118 R119 Y123 R124 M125G118-Y121 PolarHBondContact O-N 3.02Å; R119-Y121 VanDerWaalsContact C-N 3.28Å; R119-Y121 PolarHBondContact O-N 3.18Å; Y121-Y123 PolarHBondContact O-N 3.46Å; Y121-R124 WeakPolarHBondContact O-CB 3.2Å; Y121-R124 PolarHBondContact O-N 3.47Å; Y121-R124 VanDerWaalsContact O-N 3.15Å; Y121-M125 HydrophobicContact CD1-CG 3.97Å; Y121-M125 HydrophobicContact CD2-CE 4.49Å; Y121-M125 HydrophobicContact CE1-CG 3.54Å; Y121-M125 HydrophobicContact CE1-SD 4.19Å; Y121-M125 HydrophobicContact CE2-CE 3.84Å; Y121-M125 HydrophobicContact CE2-CG 4.26Å; Y121-M125 HydrophobicContact CE2-SD 4.25Å; Y121-M125 HydrophobicContact CG-CG 4.49Å; Y121-M125 WeakPolarHBondContact O-CG 3.35Å; Y121-M125 PolarHBondContact O-N 3.3Å
122G73Confident74.9Confident54 Ų5498.2 Ų98.256%0.55749%0.491SS*.Hα-helixtrans-59.2-42.3175.600000113.8C120 M125 A126C120-G122 PolarHBondContact O-N 2.8Å; G122-M125 PolarHBondContact O-N 3.34Å; G122-A126 WeakPolarHBondContact O-CB 3.47Å; G122-A126 PolarHBondContact O-N 2.67Å
123Y74.4Confident75.1Confident151 Ų151101.6 Ų101.659%0.59250%0.502SS*.Hα-helixtrans-63.9-44.5172.6168.7-95.4000111.1C120 Y121 M125 A126 W127C120-Y123 WeakPolarHBondContact O-CB 3.1Å; C120-Y123 PolarHBondContact O-N 3.38Å; Y121-Y123 PolarHBondContact O-N 3.46Å; Y123-M125 VanDerWaalsContact C-N 3.27Å; Y123-M125 PolarHBondContact O-N 2.84Å; Y123-A126 PolarHBondContact O-N 3.23Å; Y123-W127 HydrophobicContact CE1-CB 4.4Å; Y123-W127 VanDerWaalsContact O-CB 3.31Å; Y123-W127 WeakPolarHBondContact O-CB 3.19Å; Y123-W127 PolarHBondContact O-N 2.82Å
124R73.3Confident75.6Confident114 Ų114101 Ų10143%0.4349%0.487SS..Hα-helixtrans-57.6-40.9177.4-164.1-169.7-62-86.83.8111.5R117 C120 Y121 A128R117-R124 PolarHBondContact O-NH2 2.93Å; C120-R124 PolarHBondContact O-N 2.88Å; Y121-R124 WeakPolarHBondContact O-CB 3.2Å; Y121-R124 PolarHBondContact O-N 3.47Å; Y121-R124 VanDerWaalsContact O-N 3.15Å; R124-A128 WeakPolarHBondContact O-CB 3.28Å; R124-A128 PolarHBondContact O-N 3.05Å
125M76.6Confident76.2Confident73 Ų73100 Ų10036%0.3648%0.484SS..Hα-helixtrans-70.5-40.4176.1-68.3-61.1100.900113Y121 G122 Y123 R129Y121-M125 HydrophobicContact CD1-CG 3.97Å; Y121-M125 HydrophobicContact CD2-CE 4.49Å; Y121-M125 HydrophobicContact CE1-CG 3.54Å; Y121-M125 HydrophobicContact CE1-SD 4.19Å; Y121-M125 HydrophobicContact CE2-CE 3.84Å; Y121-M125 HydrophobicContact CE2-CG 4.26Å; Y121-M125 HydrophobicContact CE2-SD 4.25Å; Y121-M125 HydrophobicContact CG-CG 4.49Å; Y121-M125 WeakPolarHBondContact O-CG 3.35Å; Y121-M125 PolarHBondContact O-N 3.3Å; G122-M125 PolarHBondContact O-N 3.34Å; Y123-M125 VanDerWaalsContact C-N 3.27Å; Y123-M125 PolarHBondContact O-N 2.84Å; M125-R129 WeakPolarHBondContact O-CB 3.24Å; M125-R129 PolarHBondContact O-N 3.03Å
126A78.7Confident77Confident47 Ų47101.5 Ų101.539%0.38849%0.489SS..Hα-helixtrans-65.1-49176.100000111.5G122 Y123 A128 R129 T130G122-A126 WeakPolarHBondContact O-CB 3.47Å; G122-A126 PolarHBondContact O-N 2.67Å; Y123-A126 PolarHBondContact O-N 3.23Å; A126-A128 PolarHBondContact O-N 2.85Å; A126-R129 WeakPolarHBondContact O-CB 3.2Å; A126-R129 PolarHBondContact O-N 2.67Å; A126-T130 PolarHBondContact O-N 3.01Å; A126-T130 PolarHBondContact O-OG1 2.89Å
127W75.9Confident77.6Confident148 Ų148108.8 Ų108.856%0.56151%0.512SS*.Hα-helixtrans-59.9-46.4177.2-173.990.4000111.7Y123 R129 T130 R131Y123-W127 HydrophobicContact CE1-CB 4.4Å; Y123-W127 VanDerWaalsContact O-CB 3.31Å; Y123-W127 WeakPolarHBondContact O-CB 3.19Å; Y123-W127 PolarHBondContact O-N 2.82Å; W127-R129 VanDerWaalsContact C-N 3.31Å; W127-R129 PolarHBondContact O-N 3.13Å; W127-T130 PolarHBondContact O-N 2.71Å; W127-R131 HydrophobicContact CH2-CG 4.28Å; W127-R131 HydrophobicContact CZ3-CG 4.41Å; W127-R131 WeakPolarHBondContact O-CB 3.35Å; W127-R131 PolarHBondContact O-N 2.75Å
128A82.6Confident78.5Confident31 Ų31106.3 Ų106.326%0.25651%0.505SS..Hα-helixtrans-60.1-39.6175.600000112.4R124 A126 R131 Q132R124-A128 WeakPolarHBondContact O-CB 3.28Å; R124-A128 PolarHBondContact O-N 3.05Å; A126-A128 PolarHBondContact O-N 2.85Å; A128-R131 PolarHBondContact O-N 3.14Å; A128-Q132 WeakPolarHBondContact O-CB 3.34Å; A128-Q132 VanDerWaalsContact O-CG 3.31Å; A128-Q132 WeakPolarHBondContact O-CG 3.27Å; A128-Q132 PolarHBondContact O-N 3.47Å
129R83.7Confident79.6Confident155 Ų155108.1 Ų108.159%0.58550%0.499SS*.Hα-helixtrans-64.4-44.5175.2-174-173.6-61.4151.22.2112M125 A126 W127 R131 Q132 Q133M125-R129 WeakPolarHBondContact O-CB 3.24Å; M125-R129 PolarHBondContact O-N 3.03Å; A126-R129 WeakPolarHBondContact O-CB 3.2Å; A126-R129 PolarHBondContact O-N 2.67Å; W127-R129 VanDerWaalsContact C-N 3.31Å; W127-R129 PolarHBondContact O-N 3.13Å; R129-R131 VanDerWaalsContact C-N 3.33Å; R129-R131 PolarHBondContact O-N 2.98Å; R129-Q132 PolarHBondContact O-N 2.84Å; R129-Q133 WeakPolarHBondContact O-CG 3.28Å; R129-Q133 PolarHBondContact O-N 2.99Å
130T82.3Confident80.7Confident91 Ų91105.6 Ų105.656%0.55849%0.492SS*.Hα-helixtrans-64.1-39.8176.3-540000111.3A126 W127 Q133 K134A126-T130 PolarHBondContact O-N 3.01Å; A126-T130 PolarHBondContact O-OG1 2.89Å; W127-T130 PolarHBondContact O-N 2.71Å; T130-Q133 PolarHBondContact O-N 2.9Å; T130-K134 PolarHBondContact O-N 2.95Å
131R81.6Confident81.6Confident139 Ų139106.6 Ų106.653%0.52549%0.487SS..Hα-helixtrans-62.9-45175.4-145.2-73.9-173158.52.8111.1W127 A128 R129 K134 E135W127-R131 HydrophobicContact CH2-CG 4.28Å; W127-R131 HydrophobicContact CZ3-CG 4.41Å; W127-R131 WeakPolarHBondContact O-CB 3.35Å; W127-R131 PolarHBondContact O-N 2.75Å; A128-R131 PolarHBondContact O-N 3.14Å; R129-R131 VanDerWaalsContact C-N 3.33Å; R129-R131 PolarHBondContact O-N 2.98Å; R131-K134 PolarHBondContact O-N 3.4Å; R131-E135 IonicContact CZ-OE2 2.62Å; R131-E135 IonicContact NH1-OE1 3.13Å; R131-E135 IonicContact NH1-OE2 3.91Å; R131-E135 PolarHBondContact NH1-OE2 2.94Å; R131-E135 WeakPolarHBondContact O-CB 3.37Å; R131-E135 PolarHBondContact O-N 2.76Å
132Q85.6Confident82.1Confident130 Ų130107.7 Ų107.761%0.60749%0.49SS*.Hα-helixtrans-62.8-42.6173.7-76.8174.4-16.600112.3A128 R129 K134 E135 E136A128-Q132 WeakPolarHBondContact O-CB 3.34Å; A128-Q132 VanDerWaalsContact O-CG 3.31Å; A128-Q132 WeakPolarHBondContact O-CG 3.27Å; A128-Q132 PolarHBondContact O-N 3.47Å; R129-Q132 PolarHBondContact O-N 2.84Å; Q132-K134 VanDerWaalsContact C-N 3.34Å; Q132-K134 PolarHBondContact O-N 3.2Å; Q132-E135 PolarHBondContact O-N 3.45Å; Q132-E136 WeakPolarHBondContact O-CB 3.29Å; Q132-E136 PolarHBondContact O-N 2.84Å
133Q86.1Confident82.2Confident118 Ų118112.4 Ų112.455%0.55150%0.498SS*.Hα-helixtrans-65.6-34.2176.2-77.2-177.5-14.500113R129 T130 R137R129-Q133 WeakPolarHBondContact O-CG 3.28Å; R129-Q133 PolarHBondContact O-N 2.99Å; T130-Q133 PolarHBondContact O-N 2.9Å; Q133-R137 VanDerWaalsContact O-CB 3.29Å; Q133-R137 WeakPolarHBondContact O-CB 3.45Å; Q133-R137 PolarHBondContact O-N 3.33Å
134K89.4Confident81.9Confident129 Ų129109.9 Ų109.956%0.56150%0.498SS*.Hα-helixtrans-67.8-46.6172.1-172.6175.3-171.9-740110.8T130 R131 Q132 R137 E138T130-K134 PolarHBondContact O-N 2.95Å; R131-K134 PolarHBondContact O-N 3.4Å; Q132-K134 VanDerWaalsContact C-N 3.34Å; Q132-K134 PolarHBondContact O-N 3.2Å; K134-R137 WeakPolarHBondContact O-CB 3.17Å; K134-R137 PolarHBondContact O-N 3.19Å; K134-E138 IonicContact NZ-OE1 2.64Å; K134-E138 PolarHBondContact NZ-OE1 3.5Å; K134-E138 WeakPolarHBondContact O-CG 3.31Å; K134-E138 PolarHBondContact O-N 3.35Å
135E88.6Confident81.3Confident74 Ų74106.8 Ų106.835%0.34650%0.502SS..Hα-helixtrans-66.8-37.5-179.7-164.3167.2164.700112.2R131 Q132 E138 Q139R131-E135 IonicContact CZ-OE2 2.62Å; R131-E135 IonicContact NH1-OE1 3.13Å; R131-E135 IonicContact NH1-OE2 3.91Å; R131-E135 PolarHBondContact NH1-OE2 2.94Å; R131-E135 WeakPolarHBondContact O-CB 3.37Å; R131-E135 PolarHBondContact O-N 2.76Å; Q132-E135 PolarHBondContact O-N 3.45Å; E135-E138 PolarHBondContact O-N 3.4Å; E135-Q139 WeakPolarHBondContact O-CB 3.39Å; E135-Q139 VanDerWaalsContact O-CG 3.23Å; E135-Q139 WeakPolarHBondContact O-CG 3.19Å; E135-Q139 PolarHBondContact O-N 2.89Å
136E87.8Confident79.7Confident91 Ų91109 Ų10943%0.42552%0.515SS..Hα-helixtrans-67.9-36.5171.3-173.6-172.9167.600111.8Q132 K140Q132-E136 WeakPolarHBondContact O-CB 3.29Å; Q132-E136 PolarHBondContact O-N 2.84Å; E136-K140 HydrophobicContact CG-CD 4.36Å; E136-K140 WeakPolarHBondContact O-CB 3.31Å; E136-K140 VanDerWaalsContact O-CG 3.28Å; E136-K140 WeakPolarHBondContact O-CG 3.13Å; E136-K140 PolarHBondContact O-N 2.96Å; E136-K140 WeakPolarHBondContact OE1-CE 3.15Å; E136-K140 IonicContact OE1-NZ 2.67Å; E136-K140 PolarHBondContact OE1-NZ 3.39Å
137R83.7Confident78.4Confident188 Ų188115.2 Ų115.271%0.70954%0.541SS*.Hα-helixtrans-64-49.8172-175.8-168.7-63.8-159.3-1110.5Q133 K134 Q139 K140 E141Q133-R137 VanDerWaalsContact O-CB 3.29Å; Q133-R137 WeakPolarHBondContact O-CB 3.45Å; Q133-R137 PolarHBondContact O-N 3.33Å; K134-R137 WeakPolarHBondContact O-CB 3.17Å; K134-R137 PolarHBondContact O-N 3.19Å; R137-Q139 VanDerWaalsContact C-N 3.33Å; R137-Q139 PolarHBondContact O-N 3.24Å; R137-K140 CarbonylContact O-C 3.57Å; R137-K140 PolarHBondContact O-N 2.87Å; R137-E141 WeakPolarHBondContact O-CB 3.35Å; R137-E141 PolarHBondContact O-N 3.18Å
138E87.1Confident77.1Confident49 Ų49112.7 Ų112.723%0.22955%0.546CS..Hα-helixtrans-65.8-34.1178.9-66.3172.9-156.300112.3K134 E135 R142K134-E138 IonicContact NZ-OE1 2.64Å; K134-E138 PolarHBondContact NZ-OE1 3.5Å; K134-E138 WeakPolarHBondContact O-CG 3.31Å; K134-E138 PolarHBondContact O-N 3.35Å; E135-E138 PolarHBondContact O-N 3.4Å; E138-R142 WeakPolarHBondContact O-CB 3.28Å; E138-R142 VanDerWaalsContact O-CD 3.24Å; E138-R142 WeakPolarHBondContact O-CD 3.42Å; E138-R142 WeakPolarHBondContact O-CG 3.29Å; E138-R142 PolarHBondContact O-N 2.82Å; E138-R142 IonicContact OE2-CZ 3.21Å; E138-R142 IonicContact OE2-NH1 3.39Å; E138-R142 PolarHBondContact OE2-NH1 3.15Å; E138-R142 IonicContact OE2-NH2 2.96Å; E138-R142 PolarHBondContact OE2-NH2 3.06Å
139Q87.6Confident75.6Confident89 Ų89117 Ų11742%0.41657%0.569SS.*Hα-helixtrans-64.7-47.6171.3-78171.18.700110.6E135 R137 E141 R142 E143E135-Q139 WeakPolarHBondContact O-CB 3.39Å; E135-Q139 VanDerWaalsContact O-CG 3.23Å; E135-Q139 WeakPolarHBondContact O-CG 3.19Å; E135-Q139 PolarHBondContact O-N 2.89Å; R137-Q139 VanDerWaalsContact C-N 3.33Å; R137-Q139 PolarHBondContact O-N 3.24Å; Q139-E141 VanDerWaalsContact C-N 3.31Å; Q139-E141 PolarHBondContact O-N 3.02Å; Q139-R142 CarbonylContact O-C 3.52Å; Q139-R142 WeakPolarHBondContact O-CB 3.32Å; Q139-R142 PolarHBondContact O-N 3.01Å; Q139-E143 WeakPolarHBondContact O-CB 3.33Å; Q139-E143 VanDerWaalsContact O-CG 3.29Å; Q139-E143 WeakPolarHBondContact O-CG 3.43Å; Q139-E143 PolarHBondContact O-N 3.18Å
140K85.5Confident73.6Confident105 Ų105114.8 Ų114.846%0.45757%0.574SS.*Hα-helixtrans-60.5-38.9174.3-75.3171.9-173.3170.80112.5E136 R137 E143 T144E136-K140 HydrophobicContact CG-CD 4.36Å; E136-K140 WeakPolarHBondContact O-CB 3.31Å; E136-K140 VanDerWaalsContact O-CG 3.28Å; E136-K140 WeakPolarHBondContact O-CG 3.13Å; E136-K140 PolarHBondContact O-N 2.96Å; E136-K140 WeakPolarHBondContact OE1-CE 3.15Å; E136-K140 IonicContact OE1-NZ 2.67Å; E136-K140 PolarHBondContact OE1-NZ 3.39Å; R137-K140 CarbonylContact O-C 3.57Å; R137-K140 PolarHBondContact O-N 2.87Å; K140-E143 CarbonylContact O-C 3.6Å; K140-E143 PolarHBondContact O-N 3.31Å; K140-T144 WeakPolarHBondContact O-CB 3.46Å; K140-T144 VanDerWaalsContact O-CG2 3.3Å; K140-T144 WeakPolarHBondContact O-CG2 3.41Å; K140-T144 PolarHBondContact O-N 2.85Å; K140-T144 PolarHBondContact O-OG1 3.42Å
141E80.3Confident71.6Confident118 Ų118118.6 Ų118.655%0.55159%0.591SS**Hα-helixtrans-63-41.2175.7-172.7178.1171.900111.9R137 Q139R137-E141 WeakPolarHBondContact O-CB 3.35Å; R137-E141 PolarHBondContact O-N 3.18Å; Q139-E141 VanDerWaalsContact C-N 3.31Å; Q139-E141 PolarHBondContact O-N 3.02Å
142R80.1Confident69.7Low168 Ų168115.6 Ų115.663%0.63460%0.595SS**Hα-helixtrans-67.8-31.5172.5-67160.3-171.4132.36.4112.7E138 Q139E138-R142 WeakPolarHBondContact O-CB 3.28Å; E138-R142 VanDerWaalsContact O-CD 3.24Å; E138-R142 WeakPolarHBondContact O-CD 3.42Å; E138-R142 WeakPolarHBondContact O-CG 3.29Å; E138-R142 PolarHBondContact O-N 2.82Å; E138-R142 IonicContact OE2-CZ 3.21Å; E138-R142 IonicContact OE2-NH1 3.39Å; E138-R142 PolarHBondContact OE2-NH1 3.15Å; E138-R142 IonicContact OE2-NH2 2.96Å; E138-R142 PolarHBondContact OE2-NH2 3.06Å; Q139-R142 CarbonylContact O-C 3.52Å; Q139-R142 WeakPolarHBondContact O-CB 3.32Å; Q139-R142 PolarHBondContact O-N 3.01Å
143E75.4Confident67.9Low152 Ų152121.3 Ų121.371%0.7161%0.611SS**Hα-helixtrans-85.4-34.2-179.6-74173.2-176.800113.8Q139 K140 G145Q139-E143 WeakPolarHBondContact O-CB 3.33Å; Q139-E143 VanDerWaalsContact O-CG 3.29Å; Q139-E143 WeakPolarHBondContact O-CG 3.43Å; Q139-E143 PolarHBondContact O-N 3.18Å; K140-E143 CarbonylContact O-C 3.6Å; K140-E143 PolarHBondContact O-N 3.31Å; E143-G145 PolarHBondContact O-N 3.28Å
144T67.4Low65.7Low98 Ų98121 Ų12160%0.60162%0.623SS**THydrogen-bonded Turntrans-78.2-1.6-178.355.90000113.3K140 N146K140-T144 WeakPolarHBondContact O-CB 3.46Å; K140-T144 VanDerWaalsContact O-CG2 3.3Å; K140-T144 WeakPolarHBondContact O-CG2 3.41Å; K140-T144 PolarHBondContact O-N 2.85Å; K140-T144 PolarHBondContact O-OG1 3.42Å; T144-N146 VanDerWaalsContact C-N 3.31Å; T144-N146 PolarHBondContact O-N 2.83Å
145G61Low63.6Low49 Ų49119.6 Ų119.651%0.50564%0.635SS.*THydrogen-bonded Turntrans66.727161.100000115E143 L147E143-G145 PolarHBondContact O-N 3.28Å; G145-L147 PolarHBondContact O-N 3.19Å
146N44.2Very low61.2Low120 Ų120121.8 Ų121.864%0.64266%0.658SS**  trans-63.7106168.7-80.7-18.7000108.7T144 S148T144-N146 VanDerWaalsContact C-N 3.31Å; T144-N146 PolarHBondContact O-N 2.83Å; N146-S148 PolarHBondContact O-N 3.26Å
147L51.4Low59.1Low177 Ų177123.8 Ų123.893%0.92768%0.677SS**  trans-75.253.4178.9-70.5169.1000111.6G145G145-L147 PolarHBondContact O-N 3.19Å
148S48.3Very low56.9Low95 Ų95122.1 Ų122.166%0.66468%0.681SS**  trans-111.233.5171.162.10000111.5N146N146-S148 PolarHBondContact O-N 3.26Å
149V51.2Low54.7Low123 Ų123125.4 Ų125.475%0.74571%0.709SS**SBendtrans-59123.7151.4-179.50000105.8L151V149-L151 PolarHBondContact O-N 2.97Å
150P41.5Very low52.4Low107 Ų107128.7 Ų128.770%0.69573%0.729SS**  trans-57.8138.7178.224.3-33.6000109.1A152P150-A152 PolarHBondContact O-N 3.16Å
151L38.8Very low50.1Low172 Ų172128.9 Ų128.990%0.90174%0.743SS**  trans-7461.9-170.9-168.366.7000112.3V149 R153V149-L151 PolarHBondContact O-N 2.97Å; L151-R153 PolarHBondContact O-N 3.21Å
152A43.2Very low48.3Very low76 Ų76130.1 Ų130.163%0.62876%0.762SS**  trans-60.1120.4169.200000108.6P150 S154P150-A152 PolarHBondContact O-N 3.16Å; A152-S154 VanDerWaalsContact C-N 3.28Å; A152-S154 PolarHBondContact O-N 3.22Å
153R47.5Very low46.4Very low250 Ų250125.7 Ų125.794%0.94376%0.761SS**  trans-68.279.5-177-74.4-179.5162.8114.8-7111.8L151L151-R153 PolarHBondContact O-N 3.21Å
154S39.7Very low45.1Very low112 Ų112126.6 Ų126.678%0.78377%0.77SS**  trans-98.785.9171.8-69.50000110.5A152 S156A152-S154 VanDerWaalsContact C-N 3.28Å; A152-S154 PolarHBondContact O-N 3.22Å; S154-S156 PolarHBondContact O-N 2.96Å; S154-S156 VanDerWaalsContact O-N 3.14Å
155A45.2Very low43.9Very low99 Ų99130.5 Ų130.582%0.81879%0.786SS**  trans-72.6101.1172.300000110.4
156S37.4Very low43Very low119 Ų119136.5 Ų136.583%0.83280%0.801SS**  trans-152.3103.8161.2-82.30000111.3S154S154-S156 PolarHBondContact O-N 2.96Å; S154-S156 VanDerWaalsContact O-N 3.14Å
157T43.6Very low42.9Very low133 Ų133140.1 Ų140.182%0.81681%0.811SS**  trans-63.6126.816248.90000110
158L38.7Very low42.3Very low153 Ų153141.7 Ų141.780%0.80180%0.804SS**  trans164.187.8131.5-87.7167000110.5L160L158-L160 PolarHBondContact O-N 3.38Å
159S40.7Very low41.5Very low118 Ų118145.6 Ų145.683%0.82581%0.81SS**  trans-71.6118.1166.353.30000110.5
160L40Very low40.8Very low159 Ų159150.6 Ų150.683%0.83282%0.815SS**  trans-129.7127.8164-71.4176.9000109.7L158L158-L160 PolarHBondContact O-N 3.38Å
161S36.9Very low40.6Very low108 Ų108155.2 Ų155.276%0.75582%0.824SS**  trans-75.4147.8-166.1-50.80000113.5A163S161-A163 VanDerWaalsContact C-N 3.34Å; S161-A163 PolarHBondContact O-N 3.09Å
162P41.6Very low40.2Very low144 Ų144151 Ų15194%0.93582%0.823SS**SBendtrans-76.180179.631.8-36000112.2
163A41.7Very low39.6Very low76 Ų76151.4 Ų151.463%0.62883%0.834SS**  trans-139.9153.8167.300000110.5S161S161-A163 VanDerWaalsContact C-N 3.34Å; S161-A163 PolarHBondContact O-N 3.09Å
164L46.5Very low39.2Very low171 Ų171150.2 Ų150.290%0.89584%0.836SS**  trans71.248.6175.8-49.1-180000117.6
165L42.1Very low38.7Very low179 Ų179148.4 Ų148.494%0.93784%0.835SS**  trans-109.164.9158.4-77179.3000112.8
166H42.6Very low38.2Very low176 Ų176151.4 Ų151.482%0.81584%0.837SS**  trans-127.3114.8163.2-101.4-56.8000110.6
167K41.6Very low38.5Very low196 Ų196151.7 Ų151.785%0.85284%0.836SS**  trans69.9139.7-177.7-40168-178173.60111.3
168R40.1Very low37.8Very low209 Ų209148.4 Ų148.479%0.78983%0.829SS**  cis-155.3172.728.5-51.4171.3-163.8-152.14.9111.5
169F31.4Very low37.4Very low178 Ų178149.7 Ų149.778%0.78183%0.831SS**  trans62129.7161.5-65.2-68.2000117.1
170R36Very low36.8Very low228 Ų228155.8 Ų155.886%0.8684%0.836SS**  cis61.5104.543.4-85.8-164.2-175.4-133.14.6115.6
171K37.8Very low36.3Very low203 Ų203157.3 Ų157.388%0.88384%0.839SS**  trans70.1100134-167.3179-178.7178.10118.7
172G31.1Very low36Very low84 Ų84157.1 Ų157.187%0.86684%0.844SS**  trans100137.6135.100000117.1
173G30.6Very low35.4Very low85 Ų85153.4 Ų153.488%0.87683%0.832SS**  trans169.2115.717400000109.7
174K38.3Very low34.9Very low224 Ų224157.8 Ų157.897%0.97485%0.845SS**  trans-119.2122.5-178.1177.2-179.8178.2179.50108.1
175G29.9Very low34.4Very low74 Ų74159.3 Ų159.376%0.76384%0.844SS**  trans-176116.5179.800000114.1
176N33.9Very low33.8Very low162 Ų162156.8 Ų156.887%0.86684%0.836SS**  trans-128.7171.1155.4-120.211000104.8
177P42.8Very low33.2Very low125 Ų125153 Ų15381%0.81283%0.829SS**  cis-134.5-161.616.643-24.3000114.1
178G29.8Very low32.7Very low65 Ų65154.7 Ų154.767%0.6783%0.83SS**  trans13687.2175.100000109.9
179E29.4Very low32.1Very low179 Ų179153 Ų15384%0.83683%0.831SS**  69.8111.465.7-161.5-165.6167.300113.1
180W29.5Very low32.2Very low246 Ų246152.5 Ų152.593%0.93284%0.836SS**  trans-175.5150.6132.8-97.122.4000109.8
181E29.2Very low31.9Very low192 Ų192147 Ų14790%0.89783%0.832SS**  trans-97.5-172.4-174.4-68-164.111400113.8
182A30.5Very low31.5Very low104 Ų104146.2 Ų146.286%0.8683%0.834SS**  trans72.3129177.700000115.6
183G27.9Very low31.4Very low66 Ų66146 Ų14668%0.6883%0.832SS**  cis120.6116.1-4.300000112.9
184N31.4Very low31.4Very low168 Ų168147.1 Ų147.190%0.89883%0.832SS**  trans-167140.1156.3-104-34.9000110.4
185K35.8Very low31.1Very low202 Ų202146 Ų14688%0.87883%0.828SS**  trans-98.1137.3169.3-66.2177.7179.8177.10109
186V30.2Very low31.4Very low126 Ų126148.5 Ų148.576%0.76482%0.823SS**  trans-138.1108.9159.3-178.40000108.8
187S29.6Very low31.3Very low97 Ų97147.7 Ų147.768%0.67882%0.819SS**  trans-82.2145.2167.3-53.40000110.2
188R32Very low30.9Very low232 Ų232152.8 Ų152.888%0.87582%0.822SS**  trans-148.9141152.1-105.6170.7-170126.15.1109.2
189H28.1Very low31.2Very low172 Ų172160.5 Ų160.580%0.79683%0.831SS**  trans-97.5-165.9-178.4-70.9-109.6000110.6
190L32.3Very low31.2Very low169 Ų169159.4 Ų159.489%0.88583%0.831SS**  trans80.3104.8-173-47.6178.6000111.2
191S31Very low31.3Very low111 Ų111158.8 Ų158.878%0.77683%0.828SS**  cis85.6141.531.3-157.80000114.5
192M28.6Very low31.6Very low188 Ų188155.4 Ų155.493%0.92683%0.826SS**  trans64.6142.4-168.2-52-179.873.100114.2
193G29.3Very low31.7Very low80 Ų80158 Ų15883%0.82583%0.826SS**  cis155.798-7.200000111.7
194A29.1Very low31.8Very low107 Ų107158.7 Ų158.788%0.88483%0.825SS**  trans-148.4159.1176.700000110.6
195K33.5Very low31.8Very low202 Ų202159 Ų15988%0.87882%0.821SS**  trans-83.9163.6-167-72.9-179.2176.41780114.8
196D34.9Very low31.6Very low125 Ų125160.4 Ų160.467%0.66882%0.822SS**  trans-25.2144.5167.3-58.2-105.2000118.2W198D196-W198 PolarHBondContact OD1-NE1 3.48Å
197D31.6Very low31.6Very low146 Ų146162.8 Ų162.878%0.78182%0.822SS**  trans-144.9110.8151.9-152.4-18.6000111.4R199D197-R199 PolarHBondContact O-N 2.61Å
198W34.4Very low31.8Very low231 Ų231167.2 Ų167.288%0.87583%0.829SS**  trans-8764.9-164.8-8243.4000113.3D196D196-W198 PolarHBondContact OD1-NE1 3.48Å
199R37.7Very low31.6Very low228 Ų228161.6 Ų161.686%0.8683%0.826SS**  trans-132.813.2-178.6-73.3-163.1172.5-78.9-1.9118.1D197D197-R199 PolarHBondContact O-N 2.61Å
200N29.5Very low31.7Very low155 Ų155158.7 Ų158.783%0.82982%0.82SS**  trans-130.576.1-178.8-16820.2000115.2
201W29.8Very low31.5Very low233 Ų233159.3 Ų159.388%0.88382%0.818SS**  trans-144.828.1170.1-149.9-22.8000114.1
202S36Very low31.2Very low121 Ų121160.3 Ų160.385%0.84682%0.815SS**SBendtrans-106.6-10.4-175.8-61.80000115.3
203D32.9Very low31.1Very low160 Ų160158.3 Ų158.386%0.85681%0.813SS**SBendtrans-148.644.5-170.6-128.8-11.8000113.3
204A29.9Very low31Very low80 Ų80161.7 Ų161.766%0.66181%0.805SS**  trans-104.5116.9172.300000110.6Y206A204-Y206 PolarHBondContact O-N 2.92Å
205E32.4Very low30.9Very low174 Ų174163.4 Ų163.481%0.81379%0.794SS**  trans-69.8125.5-175.4-57.4-178.1130.200112.9K207E205-K207 PolarHBondContact O-N 2.94Å
206Y31.5Very low30.6Very low232 Ų232162.4 Ų162.491%0.9179%0.793SS**  trans-76.295.1163.8-101.6-85.8000110.7A204A204-Y206 PolarHBondContact O-N 2.92Å
207K28.8Very low30.2Very low176 Ų176163 Ų16377%0.76580%0.796SS**  trans-60138.5168.2-88.5178.6177169.70111E205 S209E205-K207 PolarHBondContact O-N 2.94Å; K207-S209 PolarHBondContact O-N 3.4Å
208K35.1Very low29.9Very low190 Ų190162.5 Ų162.583%0.82680%0.798SS**  trans-69.8108.9165.5176-174.7176.2-177.70109.6V210K208-V210 HydrophobicContact CG-CG2 4.21Å
209S26.8Very low29.6Very low114 Ų114156.8 Ų156.880%0.79779%0.789SS**  trans-96.8138.9157.244.80000109.5K207K207-S209 PolarHBondContact O-N 3.4Å
210V30.8Very low29.1Very low110 Ų110151.7 Ų151.767%0.66779%0.788SS**  trans-121.3121.3170.2174.10000106.6K208K208-V210 HydrophobicContact CG-CG2 4.21Å
211Q27.9Very low29.1Very low183 Ų183151.7 Ų151.786%0.85579%0.788SS**  trans-158.5103.4168.5-147159.9-0.400103.7
212D24.7Very low28.9Very low131 Ų131143.5 Ų143.570%0.70178%0.776SS**  cis67.978.947.2-149.613.7000111
213V27Very low28.5Very low146 Ų146147.2 Ų147.289%0.88578%0.78SS**  trans-134.8132.3162.11780000104.8
214K26Very low28.3Very low152 Ų152150.2 Ų150.266%0.66178%0.779SS**  trans-154.9158.1-167.4-167.9173.2-179.7-79.80108.8
215E27.3Very low28Very low142 Ų142152.5 Ų152.566%0.66479%0.785SS**  trans68.5137176.5-77.8135.2-130.800114.1
216E26.8Very low27.9Very low181 Ų181150.5 Ų150.585%0.84678%0.775SS**  cis-137.3152.90.3-55.4179.6135.800108.1
217D27.5Very low27.7Very low137 Ų137147.6 Ų147.673%0.73376%0.763SS**  cis101969.4-155.813000117.5V219D217-V219 VanDerWaalsContact OD1-CG2 3.22Å; D217-V219 WeakPolarHBondContact OD1-CG2 3.45Å
218V25.9Very low27.5Very low136 Ų136145.4 Ų145.482%0.82476%0.755SS**  trans-158.9129.2162-178.70000107
219V26.7Very low27Very low112 Ų112142.2 Ų142.268%0.67975%0.752SS**  cis9488.83.4-167.60000117.7D217D217-V219 VanDerWaalsContact OD1-CG2 3.22Å; D217-V219 WeakPolarHBondContact OD1-CG2 3.45Å
220S28.6Very low26.8Very low121 Ų121146.5 Ų146.585%0.84676%0.756SS**  trans-175.2157.1151.7-79.60000111.5
221D27.8Very low27.2Very low154 Ų154147 Ų14782%0.82476%0.762SS**  cis-167.1157.8-34.4-170.1-113.8000105.7
222G27.5Very low27Very low61 Ų61143 Ų14363%0.62976%0.76SS**  cis-143.9-113.81.100000111.1
223Q25.7Very low26.9Very low200 Ų200145.8 Ų145.894%0.93577%0.769SS**  cis-129.6171.6-0.1-156.2179.611.900109.8
224R29.3Very low26.8Very low222 Ų222147 Ų14784%0.83877%0.765SS**  trans-151.3147.5-146.4176.7-170.2-174.4-170.35.4113.9
225T23.3Very low26.7Very low128 Ų128145.2 Ų145.279%0.78576%0.763SS**  trans-133117.5155.139.90000108.5
226E30Very low26.7Very low132 Ų132147 Ų14762%0.61777%0.768SS**  73.3137.978.2-68.1-149.3137.100113.8
227R28Very low27.3Very low172 Ų172143 Ų14365%0.64976%0.758SS**  cis-165.1172.6-13.3-111.5-170.8-60.9102.57.6106.2
228E24.7Very low27.2Very low129 Ų129144.9 Ų144.960%0.60376%0.762SS**  cis-162.21778.1-139.5175122.300112.9
229T25Very low27.1Very low124 Ų124145.2 Ų145.276%0.76176%0.755SS**  trans64132.2152.547.40000124.9
230K22.7Very low27.1Very low203 Ų203144.1 Ų144.188%0.88375%0.745SS**  trans-93.1-170164.8-95.3-178.9-179.8-179.90110.6
231P38Very low27Very low120 Ų120146.7 Ų146.778%0.77974%0.741SS**  cis-134.3-174.2-34.335.6-17.5000113
232A23.8Very low26.9Very low100 Ų100144.5 Ų144.583%0.82674%0.738SS**  -179150.9129.900000113.1
233E23.9Very low28Very low190 Ų190147 Ų14789%0.88874%0.743SS**  trans-112.9178.4167-81-175.886.100110.8
234E23.4Very low28.7Very low172 Ų172143.3 Ų143.380%0.80474%0.736SS**  trans101.4143.6172.4-64.6-128.791.500117.7
235N24Very low28.6Very low113 Ų113138.3 Ų138.360%0.60473%0.731SS**  cis-169.3139-35.3-129-35.3000111
236K27.3Very low28.7Very low181 Ų181139.9 Ų139.979%0.78773%0.729SS**  trans61.6176.3153-76.5179.4177.7177.70119.2
237P39.7Very low28.5Very low97 Ų97139.9 Ų139.963%0.6373%0.733SS**  -139.5-167.4-55.143.3-27.1000114.2
238E25.9Very low28.4Very low175 Ų175139.1 Ų139.182%0.81874%0.737SS**  trans73.1152.4158.1-75168.3-150.700117.9
239E24.6Very low28.6Very low144 Ų144140.5 Ų140.567%0.67374%0.744SS**  cis-151.9167.65.5-141.7-157147.100113
240N25.6Very low28.6Very low88 Ų88140.7 Ų140.747%0.47175%0.745SS.*  trans71121.5146.7-87-38.4000125.6
241K27.3Very low28.9Very low176 Ų176137.1 Ų137.177%0.76574%0.739SS**  trans68.9127.3130.8-67.2166.3-177.5115.10122.5
242S25.3Very low28.3Very low108 Ų108140.3 Ų140.376%0.75574%0.741SS**  trans-102.2-171.6152.564.10000109.4
243P49.6Very low28.4Very low114 Ų114141.3 Ų141.374%0.7474%0.737SS**  cis-124-148.2-3.639-15.7000109.5
244P42.3Very low28.6Very low121 Ų121140.1 Ų140.179%0.78673%0.731SS**  cis-141.1-1718.645.4-24000118.5
245T27Very low28.8Very low117 Ų117138.7 Ų138.772%0.71873%0.725SS**  trans-86144.5-176.6-44.10000114.7
246E25.2Very low29Very low161 Ų161140.7 Ų140.775%0.75273%0.73SS**  trans-161.8144.5134.8-89.4-165.4109.100107.2
247N24.4Very low28.9Very low132 Ų132137.9 Ų137.971%0.70673%0.728SS**  cis99.3146.426.2-81.3-14.2000115.7
248Q27.6Very low28.4Very low157 Ų157141.5 Ų141.573%0.73474%0.737SS**  trans75.7156.8173.4-54.4174.558.200117.6
249E28Very low29.1Very low158 Ų158138.8 Ų138.874%0.73873%0.734SS**  cis-169.1179.9-40.1-164.9159.2168.300108.6
250T25.8Very low29.2Very low128 Ų128136 Ų13679%0.78573%0.731SS**  trans78.8160.4162.273.40000119.8
251V28.1Very low29.5Very low127 Ų127140.3 Ų140.377%0.7775%0.748SS**  -167.7139.5-55.1124.90000112.4
252K24.7Very low29.5Very low188 Ų188136.7 Ų136.782%0.81775%0.751SS**  trans66.6168.3157.6-90.8-168.2167-158.30123.5
253V26.1Very low29.6Very low120 Ų120135.2 Ų135.273%0.72775%0.753SS**  trans83.8120.6167.7-163.50000113.2
254E28.2Very low28.4Very low166 Ų166139 Ų13978%0.77676%0.761SS**  68.3144.163.7-84.4165.2146.500112.5
255E28.3Very low27.5Very low142 Ų142137.7 Ų137.766%0.66475%0.753SS**  cis-162.1171.28.2-149.2-166.1126.600110.8
256Q27.2Very low27.5Very low154 Ų154139.8 Ų139.872%0.7276%0.755SS**  trans65.9165.4158.2-60.3-171.516.700120.9
257T26.1Very low27.6Very low122 Ų122139.7 Ų139.775%0.74875%0.752SS**  cis-166.3160.3-37.1-75.80000108.4
258E29.8Very low27.8Very low173 Ų173139.1 Ų139.181%0.80875%0.746SS**  trans-70.5-179.7174.2-51.5-176.1148.800114.2
259P41Very low27.7Very low118 Ų118138.8 Ų138.877%0.76674%0.744SS**  -156.8169.587.143.2-24.9000118.8
260S26.7Very low27.8Very low85 Ų85135.6 Ų135.659%0.59474%0.739SS**  trans66.3115.3143.9-150.20000118.4
261E30.5Very low27.8Very low179 Ų179136.4 Ų136.484%0.83673%0.732SS**  63.1152.489.9-62.6168.5115.600115.9
262A27.8Very low27.9Very low100 Ų100137.2 Ų137.283%0.82673%0.727SS**  cis-164164.2-21.300000108.4
263G26.4Very low27.8Very low78 Ų78134.4 Ų134.480%0.80473%0.726SS**  trans-177.4134.8174.400000113.3
264Q26.3Very low27.9Very low192 Ų192132.1 Ų132.190%0.89773%0.727SS**  trans-115.8176.9179.7-70.2-173.8-92.100111.9
265C22.4Very low27.8Very low94 Ų94133.1 Ų133.164%0.63573%0.731SS**  trans90.7111.3156.1-76.30000119.2
266E28Very low27.8Very low162 Ų162131 Ų13176%0.75773%0.732SS**  80.4125.6121.1-70.7170149.100117.7
267K26.2Very low27.7Very low158 Ų158129.6 Ų129.669%0.68774%0.735SS**  71.4138.173.9-101.5-172.4170.3-1260111.2
268E28.6Very low27.7Very low121 Ų121129.4 Ų129.457%0.56573%0.733SS**  cis-1641644.4-155.8157-149.300110.7
269E25.7Very low27.6Very low150 Ų150128.4 Ų128.470%0.70173%0.732SS**  trans61.1165.6150.4-99.3170.8127.700118.4
270S28.9Very low26.9Very low91 Ų91127.5 Ų127.564%0.63673%0.728SS**  cis-140.6161.96.4-75.40000112.5
271K26Very low26.8Very low145 Ų145131.8 Ų131.863%0.6374%0.739SS**  14.5156.8120.5-37.1172.878-141.50118.7
272E30.1Very low26.7Very low144 Ų144131.7 Ų131.767%0.67374%0.736SS**  cis-158.6-178.922.8-150.6139.8-174.500114.7
273T23.4Very low26.6Very low128 Ų128131.5 Ų131.579%0.78572%0.724SS**  trans-63.4173.5174.448.90000114.3
274G27.4Very low26.8Very low73 Ų73136 Ų13675%0.75372%0.724SS**  cis-168.1-145.57.500000108.7
275E27.2Very low26.8Very low186 Ų186135.4 Ų135.487%0.86972%0.722SS**  cis-165.7-172.4-12.7-148.5178.9165.400108.2
276S28.8Very low27Very low98 Ų98136.8 Ų136.869%0.68573%0.732SS**  trans71.6127.5175.7-63.30000117.1
277T25.1Very low26.9Very low125 Ų125138 Ų13877%0.76774%0.738SS**  cis79.9140.543.474.10000113.5
278V26.3Very low26.9Very low118 Ų118135.1 Ų135.172%0.71574%0.738SS**  cis-160.4-170.7-3.2114.50000110.1
279I26.3Very low26.9Very low152 Ų152135.2 Ų135.278%0.77975%0.746SS**  trans120.7103.3162.4-63.4161.7000109.4
280S26.8Very low27Very low99 Ų99135.6 Ų135.669%0.69275%0.748SS**  69.3137.750.5-52.70000112.1
281E24.8Very low26.9Very low174 Ų174137.4 Ų137.481%0.81375%0.751SS**  cis-127.1166.622.7-72.2-177.311200111.4
282K27.8Very low27.1Very low178 Ų178138 Ų13877%0.77476%0.76SS**  cis73.2143.447-120.7-165.2169.9-160.10112.5
283T26.2Very low27.7Very low96 Ų96135.4 Ų135.459%0.58976%0.756SS**  cis-145.6179.111-42.80000112.1
284E31.1Very low27.9Very low173 Ų173137.7 Ų137.781%0.80876%0.758SS**  trans-65.9168167.4-50.4129.1124.800112.9
285E26.9Very low27.8Very low179 Ų179138.4 Ų138.484%0.83676%0.757SS**  trans-152.8141.9146.3-157.2167.6-150.600114.2
286S24.7Very low27.8Very low122 Ų122133.9 Ų133.985%0.85375%0.751SS**  trans-170.785.5155-79.60000109.6
287Q27.8Very low27.7Very low188 Ų188137.4 Ų137.488%0.87976%0.757SS**  trans-149.2-174.1164.1-122.7170.619.900112.1
288S26.1Very low27.7Very low98 Ų98139.2 Ų139.269%0.68576%0.757SS**  trans-119138.3-140.953.90000116.4
289V27.9Very low27.6Very low123 Ų123138.3 Ų138.375%0.74576%0.755SS**  trans76.1108.7141.5173.90000118.7
290E27.9Very low27.5Very low157 Ų157137.4 Ų137.473%0.73475%0.752SS**  trans57.9118.5137.2-63.4-168.673.600123.9
291N27.2Very low27.6Very low130 Ų130141.2 Ų141.270%0.69576%0.759SS**  6693.2124.1-58.9-33.1000121.5
292N28.9Very low27.7Very low156 Ų156139.4 Ų139.483%0.83476%0.755SS**  44.9153.5116.2-106.829.3000122.5
293P42.5Very low27.9Very low91 Ų91137.3 Ų137.359%0.59175%0.748SS**  cis-135.9-169.6-39.537.7-18.4000113.1
294E27.3Very low27.9Very low176 Ų176140.3 Ų140.382%0.82276%0.755SS**  trans34.5124.6148.7-72.3171.3117.600121.4
295A27Very low27.6Very low88 Ų88139.5 Ų139.573%0.72775%0.749SS**  59.796.376.500000112.7
296A26.7Very low27.5Very low91 Ų91138 Ų13875%0.75274%0.742SS**  89.9110.770.400000113.6
297E25.8Very low27.6Very low171 Ų171140.5 Ų140.580%0.79974%0.74SS**  trans162.3144.8135.2-85.4-68.578.300112.3
298E25Very low28.5Very low164 Ų164135.9 Ų135.977%0.76673%0.727SS**  trans42.7111.8152.8-60.1-149.7128.600124.4
299S25.1Very low28.3Very low98 Ų98136.1 Ų136.169%0.68573%0.727SS**  112.2150.3113.477.50000122.2
300N24.9Very low28.3Very low134 Ų134136.6 Ų136.672%0.71773%0.725SS**  trans72.798.1154.5-58-26.3000121.4
301E28.5Very low28.2Very low179 Ų179133.8 Ų133.884%0.83672%0.719SS**  51.5108111.4-73.7-164.1139.800121.4
302N27.3Very low28.1Very low136 Ų136135 Ų13573%0.72773%0.726SS**  111.5174.5116-138.459.2000120.5
303E30.6Very low28.4Very low134 Ų134135.1 Ų135.163%0.62672%0.721SS**  trans-79.5149.2-149.5-66.5163101.400117.2
304Q26.4Very low28.3Very low158 Ų158136.1 Ų136.174%0.73873%0.728SS**  trans48.3140.6131.5-59-178.929.800122.9
305K24.8Very low28.5Very low156 Ų156135 Ų13568%0.67872%0.722SS**  trans85.6132.6140.8-92.8-173.3166.1-132.80121.9
306E25Very low28.5Very low147 Ų147136.2 Ų136.269%0.68772%0.721SS**  trans66.1114.9144.7-70.4164-161.900118
307E27.1Very low28.5Very low175 Ų175139.3 Ų139.382%0.81872%0.724SS**  63.3150.884.1-90.2-105.8115.200114.6
308P46.1Very low28.6Very low92 Ų92140.1 Ų140.160%0.59773%0.728SS**  cis-138.5-170.8641.8-23.5000116
309C23Very low28.7Very low103 Ų103139.7 Ų139.770%0.69673%0.726SS**  trans75146.7149.6-77.60000120.1
310D26.8Very low28.9Very low132 Ų132142.2 Ų142.271%0.70673%0.727SS**  cis-154.5156.31.9-137.7-46.9000116.2
311T25.7Very low29Very low99 Ų99140.9 Ų140.961%0.60773%0.728SS**  trans46.7109.2154.32.20000123.1
312N25.9Very low28.9Very low156 Ų156141.2 Ų141.283%0.83473%0.729SS**  178.8164.595.9-95.4-69.6000115.6
313Q34Very low28.9Very low158 Ų158143.4 Ų143.474%0.73874%0.735SS**  trans-97.8-178.1-171.8-73.4-178.20.100114.2
314P41.9Very low28.8Very low112 Ų112142 Ų14273%0.72774%0.74SS**  cis-120.9164.5-3.122.81.4000114.7
315Q31.2Very low29Very low151 Ų151143.8 Ų143.871%0.70675%0.749SS**  70.7137.150.9-104-168.4-25.600114.1
316V25.8Very low29.2Very low115 Ų115140.6 Ų140.670%0.69775%0.752SS**  cis-146.8145.77.7-1760000107.8
317L27.3Very low29.3Very low156 Ų156139.8 Ų139.882%0.81776%0.756SS**  cis9682.33.2-149.3179.7000118.3
318E28Very low29.4Very low188 Ų188137.7 Ų137.788%0.87975%0.751SS**  trans-159.9-167.5156.4-136.2168.7-146.400114.8
319E28.2Very low28.7Very low155 Ų155138.5 Ų138.572%0.72475%0.754SS**  trans-118.3169-146.8-75.8-164.282.100118.9
320Q28.1Very low29.1Very low150 Ų150139.9 Ų139.970%0.70176%0.755SS**  trans43119.8143.5-69.4-176.454.500123.3
321S26.4Very low29.3Very low106 Ų106141.6 Ų141.674%0.74176%0.758SS**  72.8154.6127-60.20000123.3
322Q27.2Very low29.5Very low186 Ų186142.2 Ų142.287%0.86976%0.762SS**  trans74.1101165.5-69.3-177.9-24.400120.3
323E26.5Very low29.8Very low182 Ų182142.9 Ų142.985%0.8576%0.76SS**  42143112.3-156.7174.2142.800122.2
324S29.9Very low29.6Very low105 Ų105140.2 Ų140.273%0.73475%0.751SS**  trans100.5113.5157.4750000120.4
325E29.8Very low29.2Very low195 Ų195142.2 Ų142.291%0.91175%0.751SS**  trans49.2147.7143.1-55.3-153.6126.600125.5
326A28.4Very low29.2Very low90 Ų90144.3 Ų144.374%0.74476%0.757SS**  trans106.6101138.800000121.8
327V29Very low29.3Very low129 Ų129142.7 Ų142.778%0.78277%0.765SS**  92.5126.5121.6172.60000121.9
328D28.5Very low29.5Very low131 Ų131142.9 Ų142.970%0.70177%0.766SS**  trans71.5107.6152.3-72.1-11.4000126.3
329T31.9Very low29.6Very low110 Ų110143 Ų14368%0.67577%0.766SS**  trans65.412613265.80000119.9
330N30.3Very low29.6Very low132 Ų132141.1 Ų141.171%0.70677%0.765SS**  -157.4146.759.8-80.1-77.1000114.2
331E31.8Very low29.7Very low167 Ų167140.1 Ų140.178%0.7877%0.769SS**  trans24.8143.2133-54.5-166.9146.700121.3
332T30.2Very low29.9Very low113 Ų113139.9 Ų139.969%0.69377%0.767SS**  cis-160.1156.44.13.50000112.2
333E31.6Very low30.1Very low169 Ų169140 Ų14079%0.7977%0.768SS**  trans62.3150.6158.2-65.8-165.3160.700119.2
334N29.5Very low30.3Very low102 Ų102136.2 Ų136.255%0.54576%0.762SS.*  cis-145.8154.81.8-137.6-46.3000112.1
335Q33.9Very low30.3Very low155 Ų155139 Ų13972%0.72476%0.763SS**  trans-2.2134.4164.5-67.4164.170.100118.3
336K32.1Very low30.4Very low194 Ų194136.9 Ų136.984%0.84376%0.756SS**  -172.1136.451.6-137.5168.5-168.7177.20113.5
337G27.8Very low30.4Very low82 Ų82138 Ų13885%0.84575%0.754SS**  trans56.297.4144.600000120.7
338L31.6Very low30.5Very low160 Ų160138.8 Ų138.884%0.83875%0.754SS**  trans-131.6126.4161.4-134.9180000108.1
339Q29.8Very low30.6Very low191 Ų191140 Ų14089%0.89376%0.755SS**  trans-166170.4147-120.1176.2-6.700113.7
340T27.8Very low30.6Very low114 Ų114142.5 Ų142.570%0.69976%0.759SS**  trans-131.5178.8-162.746.90000111.5
341V30.1Very low30.5Very low129 Ų129141 Ų14178%0.78276%0.759SS**  trans83.1111.9159.7174.30000118.9
342S30.3Very low30.5Very low101 Ų101139.8 Ų139.871%0.70676%0.758SS**  trans6199.4140.5-57.60000123.8
343Q32.3Very low30.6Very low188 Ų188142.6 Ų142.688%0.87976%0.761SS**  36.495.5111.7-170-177.354.700118.9
344S29.1Very low30.6Very low104 Ų104141 Ų14173%0.72776%0.758SS**  -174.5-173.5129.540.50000110.2
345H30.6Very low30.6Very low162 Ų162143.3 Ų143.375%0.7577%0.768SS**  trans-124141.2-138.526.2-110.8000116.5
346I32.3Very low30.6Very low151 Ų151144.2 Ų144.277%0.77477%0.773SS**  trans88.2128.8143.5-69.7165.4000120.4
347T28.8Very low30.5Very low115 Ų115143.4 Ų143.471%0.70677%0.772SS**  trans59.7112162.350.10000123.1
348D30.7Very low30.7Very low145 Ų145144.2 Ų144.278%0.77577%0.765SS**  53.2119.2116.8-56.7-48.6000124.3
349E30.8Very low30.5Very low156 Ų156139.9 Ų139.973%0.72976%0.759SS**  trans62.4126.9130.8-70.4-123.492.200124.4
350Q32.4Very low30.5Very low163 Ų163137.8 Ų137.876%0.76275%0.754SS**  trans68.5105.3141.9-66-178.234.400120.6
351S27.3Very low30.5Very low101 Ų101138.1 Ų138.171%0.70676%0.756SS**  trans-82.7145.6149.158.80000111.1
352N32.1Very low30.6Very low141 Ų141139.4 Ų139.475%0.75475%0.753SS**  178.7155.9120.1-105.7-78.4000115.6
353K32.5Very low30.5Very low171 Ų171141 Ų14174%0.74375%0.752SS**  trans76.3100.3155.6-73.1166.3-176.8171.20121.2
354N30.3Very low30.1Very low137 Ų137136.9 Ų136.973%0.73374%0.744SS**  92.2136.6109.3-76.218.2000122.6
355I30.1Very low30Very low150 Ų150136.5 Ų136.577%0.76974%0.741SS**  trans90.2147.1148.3-70157.4000117.8
356E33.3Very low29.8Very low174 Ų174137.1 Ų137.181%0.81375%0.745SS**  trans-62.3167.5-179-63.1147.814000111.5
357E31.4Very low29.7Very low177 Ų177134.1 Ų134.183%0.82774%0.742SS**  -169.3159.554.4-151.7-17515500113.9
358S30.7Very low29.6Very low99 Ų99137.2 Ų137.269%0.69275%0.749SS**  trans46.7113.2149.664.10000123.1
359G27.8Very low29.8Very low69 Ų69137.8 Ų137.871%0.71175%0.752SS**  80.1160.7128.400000119.6
360D29.9Very low30.2Very low147 Ų147135.2 Ų135.279%0.78675%0.749SS**  cis-167.3155.9-14.4-123-35.6000110.1
361T28.6Very low29.8Very low121 Ų121136 Ų13674%0.74275%0.752SS**  trans59.1155.9163.251.10000119.8
362E30.7Very low29.7Very low156 Ų156139.3 Ų139.373%0.72976%0.757SS**  cis-170.1166.6-37.2-127-176.3165.600108.9
363I29.2Very low29.3Very low133 Ų133139 Ų13968%0.68275%0.754SS**  trans57.7108.5152.9-63.3162.1000116.9
364S24.7Very low29.1Very low103 Ų103139.8 Ų139.872%0.7276%0.761SS**  86.415655.7-1710000114.7
365S26.6Very low28.8Very low95 Ų95140.3 Ų140.366%0.66476%0.764SS**  trans64.5151.9170.253.80000118.7
366E26.8Very low28.5Very low175 Ų175139.7 Ų139.782%0.81877%0.767SS**  cis-169.4148.2-36.3-122.3165.9122.900109.8
367A28.8Very low28.4Very low88 Ų88135.7 Ų135.773%0.72776%0.758SS**  trans55-174.6146.100000121.4
368E27Very low28.5Very low181 Ų181136.1 Ų136.185%0.84676%0.76SS**  trans59.9103.8164.9-52.6-157.3148.100120.3
369N36Very low28.6Very low156 Ų156136.1 Ų136.183%0.83476%0.76SS**  trans-92.1127.4149.6167.357.8000109.3
370P37.4Very low28.7Very low102 Ų102140.3 Ų140.366%0.66276%0.761SS**  trans-127.5161.2153.337-26.2000113.8
371E25.5Very low28.7Very low180 Ų180139 Ų13984%0.84175%0.752SS**  trans-68.5147.7174.6-53.4163.7115.300111.2
372E25.4Very low28.6Very low170 Ų170139.3 Ų139.379%0.79475%0.749SS**  -173.2155.6108.3-103.9-152.9109.200115.7
373L23.6Very low28.5Very low134 Ų134140 Ų14070%0.70275%0.752SS**  trans-51.4148.5172.4-57.5153000114.4
374Q26.7Very low28.4Very low189 Ų189140.6 Ų140.688%0.88375%0.752SS**  -172.8148.7101-99.317252.100114.3
375N24Very low28.5Very low148 Ų148144.3 Ų144.379%0.79176%0.758SS**  trans-97.1146.6-179.4-68.8-61.2000112.1
376T25.1Very low28.4Very low136 Ų136143.9 Ų143.983%0.83476%0.755SS**  trans-166.2142.613936.10000108.8
377S30.4Very low28.5Very low90 Ų90142.1 Ų142.163%0.62975%0.751SS**  cis-163.6141.6-10.8-100.20000110.8
378Q33.8Very low28.5Very low187 Ų187146 Ų14687%0.87475%0.754SS**  trans61.4154.3149.9-68.3178.1-31.800118.4
379S32.2Very low29.5Very low98 Ų98141.7 Ų141.769%0.68574%0.742SS**  cis-162.1178.1-18.452.60000105.7
380H30.7Very low29.2Very low158 Ų158141.3 Ų141.373%0.73174%0.735SS**  cis-171.4147.924.3-159.7-93.3000106.1
381I29.6Very low28.7Very low119 Ų119141.7 Ų141.761%0.6174%0.736SS**  cis-162.7176.3-25.5-147149000109
382L27.2Very low28.9Very low127 Ų127139.3 Ų139.367%0.66572%0.723SS**  trans-19.4161158.5-55.4167.4000117.8
383E28.7Very low29.2Very low171 Ų171134.5 Ų134.580%0.79971%0.712SS**  cis-131.7140.229.3-73.4171.414200112.2
384E26.7Very low29.4Very low145 Ų145132.3 Ų132.368%0.67870%0.704SS**  53.2125.897.4-59.6-164.979.500115.6
385Q27.3Very low29.6Very low182 Ų182125.6 Ų125.685%0.8569%0.686SS**  cis88.9151.938.7-70.6-159.620.700116.2
386S24.8Very low29.7Very low86 Ų86121.6 Ų121.660%0.60167%0.667SS**  trans76.6136.7160.7-161.90000119.6
387N26.9Very low29.7Very low137 Ų137121.3 Ų121.373%0.73366%0.656SS**  178116104.4-84.1-37.8000114.9
388E28.8Very low29.5Very low169 Ų169123.3 Ų123.379%0.7966%0.655SS**  47.7159.4129.5-78.2-143.4101.600123.9
389P49.5Very low29Very low92 Ų92119.9 Ų119.960%0.59764%0.639SS**  cis-145.3179.8-37.839.5-21.8000115.9
390Q28.2Very low28.6Very low147 Ų147118.8 Ų118.869%0.68764%0.636SS**  trans126.5125.9154.5-73.2-164.119.300113.8
391T27.5Very low28.3Very low110 Ų110120.1 Ų120.168%0.67564%0.643SS**  cis-152.2143.5-7.237.50000112.3
392K30.7Very low28.3Very low131 Ų131120.3 Ų120.357%0.5765%0.645SS**  trans9.6151.5146.4-70.5-163.2175.5-175.90121.9E762 A763K392-E762 HydrophobicContact CD-CG 3.93Å; K392-E762 VanDerWaalsContact CE-CD 3.41Å; K392-E762 WeakPolarHBondContact CE-OE1 3.49Å; K392-E762 WeakPolarHBondContact CE-OE2 3.12Å; K392-E762 IonicContact NZ-OE1 2.71Å; K392-E762 IonicContact NZ-OE2 2.73Å; K392-E762 PolarHBondContact NZ-OE2 3.44Å; K392-A763 HydrophobicContact CD-CB 3.62Å
393A30.9Very low28.7Very low69 Ų69121.1 Ų121.157%0.5765%0.645SS**  cis-175171.2-10.400000111.5
394T28.4Very low29Very low87 Ų87119.7 Ų119.753%0.53464%0.643SS.*  trans28.3125.7148.154.90000118.9
395G29.8Very low29.1Very low49 Ų49119 Ų11951%0.50565%0.649SS.*  82.913063.600000110.1E766G395-E766 WeakPolarHBondContact O-CA 3.38Å; G395-E766 PolarHBondContact O-N 3.03Å
396T27.6Very low29.3Very low64 Ų64114.7 Ų114.739%0.39364%0.644SS.*  cis-138.5-103.413.2-46.40000110.3Q767 A768T396-Q767 HydrophobicContact CG2-CB 4.33Å; T396-Q767 HydrophobicContact CG2-CG 3.79Å; T396-Q767 PolarHBondContact OG1-OE1 3.2Å; T396-A768 HydrophobicContact CG2-CB 3.86Å
397H25.1Very low29.6Very low129 Ų129116.6 Ų116.660%0.59765%0.652SS**  trans-138.1-171.9172.4-34125.3000108.6Q767 A768H397-Q767 CarbonylContact O-C 3.56Å; H397-Q767 VanDerWaalsContact O-CA 3.24Å; H397-Q767 WeakPolarHBondContact O-CA 3.24Å; H397-A768 HydrophobicContact CB-CB 3.8Å; H397-A768 WeakPolarHBondContact O-CA 3.35Å; H397-A768 WeakPolarHBondContact O-CB 3.42Å; H397-A768 PolarHBondContact O-N 3.08Å
398E25.5Very low29.9Very low132 Ų132115.8 Ų115.862%0.61765%0.652SS**  trans-168.3158.3139.2-151137.4-137.400113.6Q767 A768E398-Q767 VanDerWaalsContact CD-C 3.48Å; E398-Q767 VanDerWaalsContact OE1-C 3.24Å; E398-Q767 VanDerWaalsContact OE1-O 3.08Å; E398-A768 PolarHBondContact OE1-N 3.01Å
399E22.8Very low30Very low116 Ų116116 Ų11654%0.54265%0.653SS.*  trans-55.2167.2147.1-82177.1151.200109.9P770E399-P770 VanDerWaalsContact CG-O 3.27Å; E399-P770 WeakPolarHBondContact CG-O 3.46Å; E399-P770 WeakPolarHBondContact OE1-CD 3.27Å
400A23.1Very low29.3Very low74 Ų74119.1 Ų119.161%0.61266%0.66SS**  cis-165173.9-25.700000105.3
401E25.6Very low29.5Very low187 Ų187118.8 Ų118.887%0.87466%0.663SS**  trans66.2147.7163.3-65.4176.4-16500116.5
402N30.3Very low29.9Very low122 Ų122122.9 Ų122.965%0.65267%0.674SS**  cis-151.5167.3-1.2-163.57.8000111.8
403E33.6Very low29.9Very low145 Ų145121.7 Ų121.768%0.67869%0.689SS**  trans69.792.6148.3-94161.3-139.500122.5
404N36.3Very low29.9Very low141 Ų141126.9 Ų126.975%0.75470%0.701SS**  58.3133.3115.5-57.9-34.2000120.8
405T28.6Very low30.1Very low131 Ų131128.8 Ų128.880%0.80471%0.707SS**  -166.8144.856.129.50000114.6
406A31.1Very low30Very low90 Ų90132.5 Ų132.574%0.74471%0.711SS**  trans61.2140.9143.900000123.2
407T32.2Very low30.3Very low126 Ų126139 Ų13977%0.77373%0.728SS**  cis-172.3156.5-14.733.10000111.1
408V31.7Very low30.5Very low121 Ų121142 Ų14273%0.73374%0.742SS**  trans69.8116.9168.2-1560000115.5
409E31.6Very low30.9Very low173 Ų173143.2 Ų143.281%0.80875%0.753SS**  cis82.7141.947.2-66176.4134.100114.7
410E34.3Very low31.3Very low158 Ų158145.1 Ų145.174%0.73877%0.773SS**  cis-144.9-166.37.3-135.8-131.2108.900114.2
411N32.6Very low31.7Very low139 Ų139149 Ų14974%0.74378%0.783SS**  trans-89.9175-145-73.6-64.1000121.6
412H35.4Very low31.9Very low196 Ų196144.3 Ų144.391%0.90778%0.777SS**  trans-97.7162.7164.5-79.5-119.3000112.2
413A32.3Very low32Very low107 Ų107147 Ų14788%0.88479%0.785SS**  trans-164.3169.6146.100000113.2
414E30.2Very low31.9Very low178 Ų178144.4 Ų144.483%0.83278%0.784SS**  trans-153.5171.8-172.9-162-165.7141.800111.3
415I32Very low31.6Very low126 Ų126146.3 Ų146.365%0.64679%0.787SS**  trans95.9108.5157.3-56.4177000120.5
416Q29.2Very low31.5Very low128 Ų128145.1 Ų145.160%0.59878%0.78SS**  trans39.7125.5134.3-56.8176.269.100124.8
417R33.2Very low31.3Very low201 Ų201149.2 Ų149.276%0.75878%0.784SS**  trans50125.4140.6-54.7-170.8-153.188.112.4121.5
418E29.5Very low31Very low190 Ų190147.5 Ų147.589%0.88878%0.777SS**  -168.9179.996.4-107.6-176.817500112.5
419N34.3Very low30.8Very low159 Ų159152 Ų15285%0.8578%0.781SS**  trans-109.3137-175-68.9-17.7000112.8
420T29.7Very low30.6Very low156 Ų156151.3 Ų151.396%0.95778%0.778SS**  trans-151.816014734.60000110.7
421N32.5Very low30.4Very low154 Ų154151.8 Ų151.882%0.82478%0.78SS**  trans-125.4137.7-176.2177.451.6000110.7
422A29.1Very low30.7Very low90 Ų90151 Ų15174%0.74478%0.783SS**  trans-163149.2166.700000111.3
423E32.3Very low30.2Very low177 Ų177145.9 Ų145.983%0.82778%0.775SS**  trans-83.2176.7175.8-60.3150.18600110.2
424S31Very low29.9Very low92 Ų92144.1 Ų144.164%0.64377%0.766SS**  cis-178158.836.757.70000112.4
425H30.7Very low29.7Very low180 Ų180142.9 Ų142.983%0.83377%0.771SS**  trans58.5162.4159.5-69.9-69.9000118.8
426T26.8Very low29.8Very low107 Ų107145.4 Ų145.466%0.65678%0.778SS**  cis-151.4173.42.9-13.70000111.3
427E27.4Very low30.1Very low175 Ų175145.3 Ų145.382%0.81879%0.788SS**  trans68.5160154.1-71.6165.3-135.300120.2
428S25.3Very low29.9Very low91 Ų91144.5 Ų144.564%0.63679%0.793SS**  cis-170.2163.4-34.3-164.20000111.2
429W26.3Very low29.7Very low214 Ų214140.3 Ų140.381%0.81179%0.791SS**  trans65.3156.8157.7-84.415.6000121.1
430E28.9Very low29.3Very low159 Ų159135.6 Ų135.674%0.74378%0.78SS**  cis-166.3171.2-42.2-124.8170.9-136.200110.1
431E29.3Very low29.2Very low168 Ų168134.4 Ų134.479%0.78577%0.772SS**  trans-85174.9177-107.5-150.5-17800113.5A433E431-A433 PolarHBondContact OE2-N 3.36Å
432P38.9Very low28.9Very low124 Ų124135.3 Ų135.381%0.80577%0.772SS**  -147.9136.2105.836.1-19.8000117.1
433A26Very low28.7Very low88 Ų88136.3 Ų136.373%0.72777%0.769SS**  trans26147.3136.400000121.9E431E431-A433 PolarHBondContact OE2-N 3.36Å
434G25.3Very low28.5Very low69 Ų69135.5 Ų135.571%0.71177%0.765SS**  cis127.797.92.500000113.2
435T26.9Very low28.4Very low152 Ų152136.8 Ų136.893%0.93377%0.765SS**  trans-158.9155.2167.2-270000112.2
436K33Very low29.5Very low180 Ų180132.7 Ų132.778%0.78375%0.754SS**  trans-128.5151.9-179.3-159-179.4-174.1178.10109.2
437P36.6Very low29.5Very low126 Ų126135.2 Ų135.282%0.81876%0.759SS**  -147.9-177.7110.638.1-21.6000114.5
438Q27.9Very low29.7Very low183 Ų183134.9 Ų134.986%0.85576%0.757SS**  trans-86.8151.1173.9-60.2162.3-73.900112.5
439A25.9Very low29.9Very low103 Ų103138.1 Ų138.185%0.85177%0.766SS**  trans-166.4161.9141.600000110.1
440G25.8Very low30.6Very low60 Ų60132.7 Ų132.762%0.61976%0.758SS**  trans-116-162.7169.600000111.9
441T28Very low30.8Very low130 Ų130132.4 Ų132.480%0.79876%0.761SS**  trans6010817546.60000115.5
442E24.9Very low30.8Very low173 Ų173131.1 Ų131.181%0.80876%0.76SS**  86.4120.178.5-84.1-172.6-173.700114.9
443T26.6Very low30.5Very low112 Ų112129.4 Ų129.469%0.68776%0.756SS**  trans63.3122.2144.7-32.70000118.3
444E27.5Very low30.5Very low160 Ų160131.5 Ų131.575%0.74876%0.76SS**  -172.5161.785.1-87.2-90.310700111.2
445N28.5Very low30.9Very low119 Ų119132.4 Ų132.464%0.63676%0.76SS**  cis-163.3-76.6-31.1169.9-5000112.2
446P53.3Low31.2Very low94 Ų94133.3 Ų133.361%0.6175%0.754SS**  trans-125.9175.3-156.739.4-19.3000114.8
447Q27.1Very low31.2Very low160 Ų160130 Ų13075%0.74875%0.749SS**  cis-141.5173.525-66.1172.6-6.600109.3
448Q31.1Very low31.2Very low167 Ų167129.5 Ų129.578%0.7874%0.743SS**  cis-163.5153.324.6-143.1157.756.500110.8
449L30.2Very low31.6Very low160 Ų160128.7 Ų128.784%0.83874%0.739SS**  trans-97.6-170.7163.4-70.4167000108.9
450P41.7Very low32.1Very low99 Ų99129.9 Ų129.964%0.64374%0.737SS**  cis-135.9177.3-9.813.714.7000115.9
451L32Very low32.3Very low153 Ų153138 Ų13880%0.80175%0.748SS**  trans45.6160.4135.7-56.6168.6000121.7
452D29.3Very low32.5Very low141 Ų141136 Ų13675%0.75474%0.74SS**  cis-163.7156.3-15.9-129-25.9000111.6
453A32.4Very low32.8Very low89 Ų89136.4 Ų136.474%0.73674%0.742SS**  trans51.7177.8156.700000119.7
454V27.2Very low33Very low131 Ų131136.4 Ų136.479%0.79474%0.742SS**  cis-149140.313.2176.70000111.4
455A33Very low32.9Very low88 Ų88135 Ų13573%0.72774%0.739SS**  trans25.3167.2145.700000124.4
456E32.3Very low33.1Very low172 Ų172136.1 Ų136.180%0.80474%0.744SS**  cis-166.31746.1-143.9-176.8169.300113.4
457V34.6Very low31.9Very low111 Ų111138.7 Ų138.767%0.67375%0.753SS**  trans68.9131.5153.8168.10000119.6
458T35Very low32.1Very low114 Ų114136.4 Ų136.470%0.69976%0.755SS**  cis-162.6152.9-9.727.20000114
459E38Very low32Very low166 Ų166137.7 Ų137.778%0.77676%0.761SS**  trans76.5110.8141.4-74.8-171.7160.500127
460T36.2Very low31.8Very low129 Ų129135.7 Ų135.779%0.79176%0.759SS**  trans78.2121.6136.466.30000123.7
461R30.4Very low31.4Very low229 Ų229138.8 Ų138.886%0.86477%0.765SS**  154.4127.696.6-165.7-170173.5156.41.4114.7
462S31.3Very low31.4Very low88 Ų88141.3 Ų141.362%0.61576%0.764SS**  trans49.3115.216056.60000120
463E30.8Very low31.3Very low183 Ų183140.2 Ų140.286%0.85576%0.758SS**  69.2134.176.3-76-175.3-167.200114.9
464T31.4Very low31.2Very low112 Ų112143.4 Ų143.469%0.68776%0.761SS**  cis-151.7-163.8-13.448.90000106.7
465N25.7Very low31.3Very low130 Ų130144.2 Ų144.270%0.69576%0.761SS**  cis-168.4161.51.4-125.46.1000105.7
466L31.4Very low31.9Very low142 Ų142145.2 Ų145.274%0.74376%0.761SS**  cis-164.5164.8-19.7-136.7-179.8000106.5
467D28.9Very low31.7Very low148 Ų148145.5 Ų145.579%0.79176%0.759SS**  trans-125.8177-178.6-84.9-63.6000113.2
468S30.6Very low31.4Very low113 Ų113146 Ų14679%0.7976%0.762SS**  trans-149.7157.1168.5-60.70000108.3
469E28.9Very low31Very low193 Ų193147.2 Ų147.290%0.90277%0.765SS**  cis-161.5139.323.1-161.3177.4132.100110.1
470C26.7Very low30.6Very low119 Ų119145.9 Ų145.980%0.80477%0.768SS**  trans-163.9133.5167.7-155.20000116.5
471H33.8Very low30.1Very low164 Ų164142.6 Ų142.676%0.75976%0.76SS**  trans24130.4155.9-76.5-49000126.7
472R31.3Very low30Very low206 Ų206140 Ų14078%0.77776%0.758SS**  trans90123.8130.5-78.4-174.4179-97.39.3124
473D27.9Very low29.8Very low117 Ų117142.8 Ų142.863%0.62676%0.761SS**  trans66.2116.4131.4-58.9-36.8000124.2
474L30.2Very low29.6Very low156 Ų156142.3 Ų142.382%0.81776%0.759SS**  trans78117.7145.9-62.1170.1000123.4
475D29.7Very low29.6Very low148 Ų148144.9 Ų144.979%0.79176%0.763SS**  trans33.7153.3134.6-91.5-51.3000122.8
476P44.1Very low29.8Very low110 Ų110146.6 Ų146.671%0.71477%0.767SS**  cis-148.7170.824.344.2-23.9000120.3
477K28.6Very low29.5Very low178 Ų178144.2 Ų144.277%0.77476%0.758SS**  trans48.7132.1137.6-75.8-175.5175.9177.80126.3
478T28Very low29.7Very low120 Ų120143.6 Ų143.674%0.73675%0.753SS**  trans67.3110.9135.954.70000123.9
479D28Very low29.7Very low141 Ų141144.4 Ų144.475%0.75475%0.754SS**  62.4118.1108.5-163.114.5000121.5
480T28.5Very low29.8Very low137 Ų137143.3 Ų143.384%0.8475%0.749SS**  175.7146.2123.4260000115.1
481G25.4Very low30Very low60 Ų60144.2 Ų144.262%0.61975%0.751SS**  100.1108.2128.500000122.7
482Q28.3Very low29.6Very low175 Ų175140 Ų14082%0.81875%0.751SS**  trans64159.5141.8-73.1152.4-105.400119.1
483E27.8Very low29.3Very low147 Ų147141 Ų14169%0.68776%0.755SS**  cis-146.3-157.911.5-146.8138-120.800114.6
484Q26.8Very low29.1Very low172 Ų172140.4 Ų140.480%0.80476%0.759SS**  trans-99.5170.8-158.6-56.8148.83800114.4
485E30.4Very low29Very low166 Ų166140.3 Ų140.378%0.77675%0.754SS**  cis-128.1-101.5-10.9-171.3-158.589.400113.1V487E485-V487 PolarHBondContact OE1-N 3.32Å
486E29.9Very low29Very low167 Ų167138.1 Ų138.178%0.7875%0.75SS**  cis-153.4139.9-0-153.2-157.812700114.8
487V26.5Very low28.2Very low92 Ų92138.5 Ų138.556%0.55875%0.751SS**  trans57.696.4151.41680000122.9E485E485-V487 PolarHBondContact OE1-N 3.32Å
488I32.6Very low28.2Very low134 Ų134138.7 Ų138.769%0.68776%0.755SS**  29120.2117.5-41.3159.4000119.5
489T29.6Very low28.2Very low131 Ų131138.2 Ų138.280%0.80476%0.756SS**  -173.2136.692.7280000108.5
490E32.3Very low28.2Very low170 Ų170140.3 Ų140.379%0.79476%0.759SS**  cis99.5154.740.6-135.8-146149.400114.6
491T29.8Very low28.3Very low138 Ų138140 Ų14085%0.84776%0.757SS**  trans73.9134.5-168.775.70000116.9
492G26.7Very low28.6Very low75 Ų75145.3 Ų145.377%0.77377%0.765SS**  cis176.5136-13.700000116.6
493R25Very low28.7Very low226 Ų226143.7 Ų143.785%0.85377%0.767SS**  trans61.586.6145-160.7175.3-61.7-166.91.8120.9
494C24Very low29.1Very low105 Ų105145.2 Ų145.271%0.70978%0.775SS**  44.4162.9107.3-53.40000123.8
495H27.1Very low29.3Very low154 Ų154146.2 Ų146.271%0.71378%0.779SS**  trans89.7116.9164.1-46.8-59.9000114.9
496S29.4Very low29.3Very low103 Ų103143.5 Ų143.572%0.7277%0.774SS**  80.6141.266.3-63.50000112.1
497T27.3Very low29.6Very low118 Ų118142.7 Ų142.772%0.72477%0.77SS**  cis-163.3-167.6-5.115.90000107.6
498E28.8Very low29.7Very low182 Ų182143.5 Ų143.585%0.8578%0.776SS**  trans76.8148.8159.2-53.2-168.6135.200116.8
499S28.8Very low29.7Very low110 Ų110144.6 Ų144.677%0.76978%0.778SS**  cis-159.5177.3-17.148.20000111.8
500F26.9Very low29.8Very low184 Ų184143.5 Ų143.581%0.80777%0.771SS**  trans-50.7154.2174.6-83.1-113.9000115.1
501V30.1Very low29.8Very low132 Ų132143.6 Ų143.680%0.877%0.771SS**  -177.9143.5101.3150.70000110.5
502E32.2Very low30Very low170 Ų170142.5 Ų142.579%0.79477%0.765SS**  trans-82153.2173.1-63.7160101.500112.1
503T31.3Very low30.8Very low141 Ų141146.6 Ų146.687%0.86576%0.764SS**  trans-160.2142.8136.8-4.90000111.6
504E35Very low31.7Very low179 Ų179141.6 Ų141.684%0.83676%0.758SS**  trans-82.6154.1172.1-54176.5113.300111.1
505Q31.8Very low32Very low194 Ų194144.3 Ų144.391%0.90777%0.766SS**  trans-163.3153.7134.2-114.5155.855.200114.3
506T30.6Very low32.7Very low109 Ų109143.1 Ų143.167%0.66977%0.769SS**  trans-81.7-174.3167.855.10000109.4
507E35.5Very low33.1Very low149 Ų149146.5 Ų146.570%0.69678%0.778SS**  cis-166.6140.112.6-141.8138.7-16900110.6
508T29.9Very low34Very low110 Ų110145.1 Ų145.168%0.67578%0.779SS**  trans48.7166.1140.858.90000125.6
509H31.8Very low34.3Very low156 Ų156145.7 Ų145.772%0.72278%0.782SS**  trans78.2113162.6-70.1-67.4000118.4
510T31.9Very low35.3Very low108 Ų108147.6 Ų147.666%0.66378%0.783SS**  65.9141.791.266.10000113.8
511E31.8Very low35.7Very low172 Ų172145.8 Ų145.880%0.80479%0.787SS**  cis-161.6-159.937.8-138.8138.8-93.600114.2
512T34.5Very low35.8Very low115 Ų115143.3 Ų143.371%0.70678%0.78SS**  trans-77.3174.9178.744.80000114.2
513E42.7Very low36.1Very low161 Ų161141.7 Ų141.775%0.75278%0.782SS**  cis-163.7170.5-3.9-123.4179.5150.500112.4
514T44.3Very low36.5Very low121 Ų121143.2 Ų143.274%0.74278%0.779SS**  trans36.6138.1152.661.10000124.7
515N30.5Very low36.5Very low162 Ų162140.8 Ų140.887%0.86677%0.772SS**  trans-160.4166.6133.6-137-39.9000114.1
516V42.5Very low37Very low130 Ų130137.8 Ų137.879%0.78876%0.758SS**  trans-146.9143.4-172.3173.50000112.2
517L36.5Very low37Very low173 Ų173141 Ų14191%0.90677%0.77SS**  trans-170.2165.4153.5-110.3162.4000113.6
518A47.5Very low36.8Very low89 Ų89140.7 Ų140.774%0.73677%0.766SS**  trans-160.1166.3-175.400000113.5
519E34.2Very low36.6Very low195 Ų195141.6 Ų141.691%0.91177%0.772SS**  trans-152.9176.2171.4-132.4178.6158.300114.3
520N48.9Very low36.4Very low150 Ų150139.8 Ų139.880%0.80277%0.772SS**  trans-145.7-171.3-150.8-80.8-67.6000118
521V36.9Very low36.4Very low146 Ų146141.8 Ų141.889%0.88577%0.773SS**  trans88.3143.5162.5-174.10000116.3
522A30.6Very low36.1Very low80 Ų80139.3 Ų139.366%0.66177%0.771SS**  cis-148.9171.6-3.100000109.6
523V40.3Very low36.1Very low136 Ų136140.8 Ų140.882%0.82477%0.769SS**  cis104.2143.88-178.20000116.9
524Q38.4Very low35.3Very low173 Ų173141 Ų14181%0.80877%0.771SS**  trans81.3144.2179.1-70-153.5-5900119.3
525D36.1Very low34.6Very low128 Ų128143.4 Ų143.468%0.68477%0.773SS**  cis-159.3-176.1-17-129.6-44.5000114.7
526E42.2Very low34.8Very low131 Ų131143 Ų14361%0.61277%0.771SS**  trans-78.2169.6-165-52.7-166.7129.100121.9K528E526-K528 VanDerWaalsContact OE1-CE 3.28Å; E526-K528 WeakPolarHBondContact OE1-CE 3.41Å; E526-K528 IonicContact OE1-NZ 3.7Å; E526-K528 PolarHBondContact OE1-NZ 3.27Å; E526-K528 WeakPolarHBondContact OE2-CE 3.46Å; E526-K528 IonicContact OE2-NZ 3.94Å; E526-K528 PolarHBondContact OE2-NZ 3.46Å
527L29.4Very low34.3Very low176 Ų176141 Ų14192%0.92176%0.763SS**  trans-162.5164.9132-105.1166.8000113.4
528K32.4Very low34Very low143 Ų143141.4 Ų141.462%0.62276%0.76SS**  trans-129.5-175.9-163.3-76.9150174.1161.80113.3E526E526-K528 VanDerWaalsContact OE1-CE 3.28Å; E526-K528 WeakPolarHBondContact OE1-CE 3.41Å; E526-K528 IonicContact OE1-NZ 3.7Å; E526-K528 PolarHBondContact OE1-NZ 3.27Å; E526-K528 WeakPolarHBondContact OE2-CE 3.46Å; E526-K528 IonicContact OE2-NZ 3.94Å; E526-K528 PolarHBondContact OE2-NZ 3.46Å
529T25.1Very low33.5Very low129 Ų129143.3 Ų143.379%0.79176%0.763SS**  cis-168.8-167.435.5-32.20000112.4
530T26.7Very low34.7Very low118 Ų118139.6 Ų139.672%0.72476%0.756SS**  trans68.9108.8170.847.70000118.5
531Q32.6Very low33.5Very low149 Ų149138.3 Ų138.370%0.69676%0.758SS**  75.5135.685.3-79.3-173.2-4100114.3E533Q531-E533 PolarHBondContact NE2-OE1 2.82Å
532T24.9Very low33.1Very low121 Ų121137.8 Ų137.874%0.74276%0.755SS**  cis-136.9119.127.2-57.30000109.6
533E35.8Very low34.1Very low145 Ų145138.5 Ų138.568%0.67875%0.754SS**  60.9113.689-65.8168.6-169.100116.6Q531Q531-E533 PolarHBondContact NE2-OE1 2.82Å
534Q25.5Very low33.5Very low167 Ų167140.1 Ų140.178%0.7875%0.752SS**  -161.6108110-172.2160.72000112.4
535E30Very low32.9Very low171 Ų171137.3 Ų137.380%0.79975%0.751SS**  trans49.8151.2142.8-60.1177.8125.900123.9
536D33.4Very low32.4Very low152 Ų152136 Ų13681%0.81375%0.749SS**  trans-150.8169.2-175.8-17616.8000108.9
537S32.3Very low31.7Very low89 Ų89137.1 Ų137.162%0.62276%0.758SS**  trans84134.1159.581.50000121.3
538Q29.8Very low31.6Very low182 Ų182136.2 Ų136.285%0.8575%0.749SS**  trans72.4102.9144.3-67.7171.610.900121.2
539T37.6Very low31.5Very low129 Ų129137.8 Ų137.879%0.79176%0.758SS**  trans-43.9168.4158.751.10000117.4
540P59.3Low31.6Very low117 Ų117135.4 Ų135.476%0.7676%0.759SS**  cis-139.4158.6-28.836.5-19.6000115
541S23.7Very low31.9Very low123 Ų123138.9 Ų138.986%0.8677%0.767SS**  trans-163.1148.5166.453.60000117.2
542T29.3Very low31.8Very low134 Ų134137.5 Ų137.582%0.82277%0.774SS**  trans-88.9-166.916950000111.4
543P51.3Low32Very low96 Ų96139.2 Ų139.262%0.62378%0.779SS**  cis-137.2-172.7-11.133.6-10.4000116.2
544E28Very low31.8Very low169 Ų169135.7 Ų135.779%0.7977%0.774SS**  trans49.7135.1141.5-78.5177112.200125.8
545S25.6Very low32Very low114 Ų114133.5 Ų133.580%0.79777%0.773SS**  -168.9130.8124.6-170.50000108.4
546T26.3Very low32Very low102 Ų102131.3 Ų131.363%0.62677%0.771SS**  cis108.912217.3-61.50000113.1
547L26.8Very low31.8Very low153 Ų153130.1 Ų130.180%0.80177%0.769SS**  trans155.9140.1164.6-89.5167.4000107.3
548Q26.6Very low31.9Very low157 Ų157131.4 Ų131.473%0.73477%0.773SS**  cis-150-177.70-162.5160.72.800110.9
549E31.1Very low32.1Very low176 Ų176131.3 Ų131.382%0.82277%0.773SS**  trans-73157-167.4-57.7136.7120.200116.4
550G28Very low32.1Very low79 Ų79133.3 Ų133.381%0.81477%0.773SS**  trans-176.3139.1169.500000113
551E31.7Very low31.3Very low191 Ų191136.4 Ų136.489%0.89378%0.777SS**  trans-99-177.9-175.2-66174.184.300113.5
552S31.9Very low31.6Very low120 Ų120138.6 Ų138.684%0.83978%0.778SS**  trans77.9145.9165.574.90000118.4
553D28.9Very low31.8Very low158 Ų158141.2 Ų141.285%0.84578%0.78SS**  cis-165.7179.7-28.3-158.1-7.9000108.9
554A30.5Very low30.9Very low70 Ų70140.8 Ų140.858%0.57979%0.785SS**  trans72.6101.8149.300000121.4
555T30.1Very low30.8Very low121 Ų121138.6 Ų138.674%0.74278%0.783SS**  43.8116.6125.256.30000120.7
556T29.2Very low30.8Very low126 Ų126138.4 Ų138.477%0.77378%0.777SS**  88.3154.751.663.20000116.8
557V30.5Very low30.8Very low127 Ų127141.2 Ų141.277%0.7779%0.789SS**  trans111.5106.9167.9-179.70000112.9
558V33.5Very low31.1Very low116 Ų116137.1 Ų137.170%0.70378%0.783SS**  cis87.6133.739.6-176.20000109.1
559E34.4Very low32Very low180 Ų180136.4 Ų136.484%0.84179%0.792SS**  cis-147.1-169.239.3-68.9170.3165.800111.5
560E37.8Very low31.7Very low170 Ų170131.7 Ų131.779%0.79479%0.791SS**  -169167.4-56.1-166.7166.3-172.200108.3
561E42.1Very low31.9Very low183 Ų183136.8 Ų136.886%0.85579%0.793SS**  trans-82.9158.8166.8-71.9-175.1103.700111.7
562I30.7Very low31.9Very low169 Ų169135.1 Ų135.187%0.86779%0.786SS**  trans-149130.91678.2172.5000113.9
563E33Very low31.9Very low188 Ų188136.8 Ų136.888%0.87978%0.783SS**  trans-109.8169.8155.7-89.6-154.2144.500110.2
564A31.8Very low31.8Very low88 Ų88132.7 Ų132.773%0.72778%0.779SS**  trans99.4114.514900000121.4
565V26.8Very low31.8Very low122 Ų122137.9 Ų137.974%0.73979%0.791SS**  86.497.3118.9173.90000121.3
566T25.1Very low31.8Very low111 Ų111137.8 Ų137.868%0.68179%0.79SS**  trans63.5150.4130.9660000125.2
567D27.6Very low31.6Very low161 Ų161137.2 Ų137.286%0.86179%0.786SS**  trans66.2142.1164.7-60.9-39.2000116.8
568G32Very low31.7Very low67 Ų67136.3 Ų136.369%0.69178%0.781SS**  cis117.2167.718.400000109.8
569P45.2Very low32.3Very low141 Ų141136.4 Ų136.492%0.91678%0.784SS**  cis-119.7-151.7-16.142.7-26.6000110.2
570G26.2Very low32Very low77 Ų77132.9 Ų132.979%0.79477%0.774SS**  trans147.3152.6157.800000116.3
571Q30.1Very low31.7Very low187 Ų187132.7 Ų132.787%0.87477%0.773SS**  trans-148.1157.7-173-146.7172.8-13.200111.3
572E32.1Very low31Very low156 Ų156128.1 Ų128.173%0.72977%0.767SS**  trans82.9112.9160.9-61.5-162.1154.500123.2
573I32.2Very low30.8Very low154 Ų154128.5 Ų128.579%0.7977%0.765SS**  75.7116.4128-55.8165.8000121.7
574G27.2Very low30.4Very low73 Ų73124.3 Ų124.375%0.75376%0.756SS**  trans97.1141.5141.300000118
575E29.6Very low30.2Very low178 Ų178127.8 Ų127.883%0.83276%0.757SS**  cis-164.1161.4-13-149.3-164.313800109.8
576V30.2Very low30.3Very low119 Ų119129 Ų12972%0.72176%0.755SS**  trans65.5129.6163.6174.50000117.3
577V26.6Very low30.4Very low114 Ų114129.8 Ų129.869%0.69176%0.764SS**  cis-161.2127-6.6128.30000104.5
578V31.4Very low30.4Very low109 Ų109127.9 Ų127.966%0.66176%0.757SS**  64.6140.868.7176.40000111.3V580V578-V580 HydrophobicContact CG1-CB 4.33Å; V578-V580 HydrophobicContact CG1-CG2 4.25Å; V578-V580 HydrophobicContact CG2-CG2 4.49Å
579P46.4Very low30.2Very low118 Ų118130.7 Ų130.777%0.76677%0.765SS**  cis-120.1168.116.326.9-4000115.5
580V28.9Very low29.6Very low105 Ų105130.2 Ų130.264%0.63676%0.755SS**  cis92.3139.911-1780000116.6V578V578-V580 HydrophobicContact CG1-CB 4.33Å; V578-V580 HydrophobicContact CG1-CG2 4.25Å; V578-V580 HydrophobicContact CG2-CG2 4.49Å
581H30.2Very low30.6Very low167 Ų167131.6 Ų131.677%0.77375%0.749SS**  trans69.5132.6-178.1-75.927.4000115.4
582A28.5Very low30.7Very low87 Ų87133.3 Ų133.372%0.71975%0.748SS**  cis81.497.817.800000116.7
583Q26Very low30.6Very low177 Ų177131.1 Ų131.183%0.82774%0.742SS**  trans-168.4130.8153.8-102160.83400105.4
584S23.5Very low30.5Very low99 Ų99127.3 Ų127.369%0.69273%0.729SS**  91.2117.566.1-650000113.4
585Q28.6Very low30.7Very low162 Ų162132.1 Ų132.176%0.75773%0.731SS**  trans64.6133.3155.7-74.2171.8-86.800121.8
586E29.6Very low31Very low147 Ų147131.2 Ų131.269%0.68773%0.727SS**  trans65.993136-68.3163.2-144.300121
587C26.2Very low31.1Very low128 Ų128132.1 Ų132.187%0.86573%0.727SS**  -147.7124.2111.8-87.80000105.9
588V28.6Very low31.3Very low121 Ų121134.7 Ų134.773%0.73373%0.731SS**  60.283.951.2-169.70000112.4
589C26.9Very low31.2Very low125 Ų125137.2 Ų137.285%0.84574%0.74SS**  -174.3104.9123.9-101.90000111.5
590N33.3Very low30.1Very low131 Ų131139.7 Ų139.770%0.70174%0.741SS**  trans-81.6154.6159.8-145.111.8000108
591P46Very low30.2Very low106 Ų106140.7 Ų140.769%0.68874%0.743SS**  -149.217184.635.1-15.9000114
592R33.2Very low30.2Very low223 Ų223140.5 Ų140.584%0.84274%0.742SS**  cis-172.8158-10.5-105.7168.5169.5161-3.3105.3
593N28.6Very low31.7Very low111 Ų111141.6 Ų141.659%0.59474%0.742SS**  cis-164138-21.7-119.452.8000106
594S30.5Very low31.9Very low74 Ų74139.4 Ų139.452%0.51774%0.736SS.*  67.8111.8106.6-59.10000116
595E32.5Very low32.6Very low174 Ų174142.7 Ų142.781%0.81374%0.74SS**  80159.578-70.7155.5133.100112.5
596E34.6Very low32.7Very low159 Ų159144.6 Ų144.674%0.74375%0.749SS**  cis156.7122.8-31.2175.9173.113200107
597L32.8Very low32.9Very low137 Ų137142.1 Ų142.172%0.71775%0.754SS**  trans57-177.6168.3-67.4169.8000115.3
598Q30.6Very low33.1Very low168 Ų168141.2 Ų141.279%0.78576%0.755SS**  cis-145.7-166.61.9-148.4157.540.300112.8
599I28.8Very low33.1Very low162 Ų162144.5 Ų144.583%0.83176%0.763SS**  trans-79156.4-176.8-64157.7000111.5
600H25Very low33.3Very low171 Ų171144.1 Ų144.179%0.79276%0.761SS**  trans-111.1132.7179.7175.310.2000111.6
601D30.6Very low33.2Very low126 Ų126141.7 Ų141.767%0.67476%0.76SS**  trans-151.2136.4159.2-136-31.1000114
602Q30.1Very low33.6Very low162 Ų162142.4 Ų142.476%0.75776%0.764SS**  trans18.9152.2170.7-73.1163.990.600126.9
603P60.1Low34.7Very low110 Ų110137.1 Ų137.171%0.71476%0.759SS**  trans-122.3-156.9-178.945.8-32.5000116.4
604N30.5Very low35.7Very low131 Ų131136.1 Ų136.170%0.70176%0.759SS**  trans91.3152.8175.6-69.322.2000116.4
605E36.7Very low35.8Very low168 Ų168140.5 Ų140.579%0.78577%0.771SS**  cis-163.8154.6-2.4-124171.197.300111.4
606E31.8Very low35.6Very low202 Ų202141 Ų14194%0.94477%0.773SS**  trans-165.8163.8145.3-124.7-167.7156.200116.1
607A34Very low35.3Very low95 Ų95136.7 Ų136.779%0.78577%0.771SS**  trans-73.3157.7-156.100000122
608A29.7Very low35.1Very low109 Ų109139.3 Ų139.390%0.90178%0.78SS**  trans-168.6162.3134.900000113.1
609E28.5Very low34.8Very low191 Ų191138.9 Ų138.989%0.89378%0.781SS**  trans-113.7154.9-157.7-172.3179.1174.400115.9
610S30.7Very low34.5Very low116 Ų116138.1 Ų138.181%0.81178%0.778SS**  trans77.1136.7163.9172.70000119.9
611A32Very low34.5Very low81 Ų81134.3 Ų134.367%0.66977%0.767SS**  cis176.2169.2-14.300000109.3
612P54.3Low34.3Very low120 Ų120135.7 Ų135.778%0.77977%0.769SS**  cis-127.7-132.4-31.829.8-4.1000112.1
613P56.2Low34.2Very low112 Ų112133 Ų13373%0.72776%0.76SS**  -123.7-159.6-112.546.6-27.3000112.8
614P50.3Low32.8Very low91 Ų91135 Ų13559%0.59176%0.76SS**  cis-136.4-176.2-2.645.5-27.8000116.5
615E33.1Very low32.7Very low165 Ų165134.5 Ų134.577%0.77176%0.757SS**  trans38154.6134.6-69.4150.8-139.700122
616E28.5Very low32.5Very low185 Ų185134.8 Ų134.886%0.86476%0.758SS**  cis-170.6174.9-17.9-113.5-177.6-165.500108
617G27.5Very low32.4Very low68 Ų68132.1 Ų132.170%0.70175%0.751SS**  trans94.9145.3171.600000114.8
618E27.7Very low32.3Very low193 Ų193137.3 Ų137.390%0.90276%0.759SS**  cis74.1157.935.2-64.9-152.3128.700115.9
619I25.1Very low32.4Very low159 Ų159135.9 Ų135.982%0.81574%0.742SS**  trans79.8109.6179.1-56.4177.5000112.3
620L23.3Very low32.6Very low145 Ų145134.9 Ų134.976%0.75974%0.743SS**  91.5128.959.7-16489.1000111.8
621T24Very low33.1Very low91 Ų91136 Ų13656%0.55874%0.735SS**  trans45.1134.9154.750.70000121.6
622Q26.3Very low33Very low156 Ų156140.2 Ų140.273%0.72974%0.739SS**  trans70.3159.7138.3-70.9173.4-87.800115.7
623D28.1Very low32.1Very low104 Ų104141.4 Ų141.456%0.55673%0.734SS**  cis-154.6163.7-10.8-122.5-22.1000109.6
624E31Very low30.6Very low153 Ų153141.8 Ų141.872%0.71573%0.734SS**  trans60.4164.2148.4-65.6-174.6127.100118.5
625N28.1Very low29.6Very low120 Ų120142.1 Ų142.164%0.64274%0.739SS**  cis-158.9-173.7-29-100-17000107.3
626E32.5Very low29.5Very low174 Ų174139.7 Ų139.781%0.81374%0.74SS**  trans71.699.2162.4-45.7-164.7156.700114.5
627D28.8Very low29.5Very low146 Ų146135.6 Ų135.678%0.78173%0.732SS**  78.8107.271.4-83.5-59.4000114.3
628E33Very low29.8Very low204 Ų204139.1 Ų139.195%0.95373%0.734SS**  -139133.4123.1-156.5169.5-163.600108
629S31.3Very low29.9Very low80 Ų80135 Ų13556%0.55972%0.722SS**  trans-128.2148.8-172.563.90000111.6
630D33.3Very low30Very low170 Ų170135.6 Ų135.691%0.90972%0.722SS**  trans-128140.3170.1-147-20.8000109.9
631Q40.8Very low30.1Very low139 Ų139134.8 Ų134.865%0.6572%0.723SS**  trans-133.6151.7-158.5-60.7-176.5800113.7
632K30.1Very low31.3Very low169 Ų169135.9 Ų135.974%0.73573%0.731SS**  -171.5119125-103.8159.5176.3-71.20111.6
633Q34.4Very low31.2Very low145 Ų145137.4 Ų137.468%0.67874%0.739SS**  72.313797.1-70.3-176.4-22.300113.7
634T26.1Very low31.2Very low121 Ų121140.3 Ų140.374%0.74275%0.749SS**  cis-14315045.551.40000116.7
635S28.2Very low31.1Very low97 Ų97137.2 Ų137.268%0.67874%0.744SS**  trans51.3101.5149.156.20000119.1
636S31.1Very low31.1Very low114 Ų114136.2 Ų136.280%0.79775%0.752SS**  77.5136.779.272.20000114.5
637S29.6Very low30.9Very low99 Ų99133.2 Ų133.269%0.69276%0.757SS**  cis-153146.417.956.90000114.1
638D32.3Very low30.7Very low142 Ų142129.6 Ų129.676%0.75976%0.755SS**  27.4144.1125.7-55-84.2000120.4
639V30.1Very low30.5Very low106 Ų106124.8 Ų124.864%0.64275%0.75SS**  cis-164.4163.118.591.50000114.6
640Q27.9Very low30.3Very low172 Ų172127 Ų12780%0.80476%0.759SS**  trans67.4117.8157.4-75.7158.212.700123.5
641T24.3Very low30Very low129 Ų129125.9 Ų125.979%0.79175%0.749SS**  trans-104.3-165.8135.958.70000108
642P48.9Very low29.4Very low113 Ų113127.7 Ų127.773%0.73476%0.755SS**  cis-130.1-179.3-19.640.3-24.1000113.7
643E25.9Very low29.3Very low188 Ų188123 Ų12388%0.87975%0.747SS**  trans163.7168.8153.7-98.1-178-16800108.9
644E28Very low29.1Very low165 Ų165125 Ų12577%0.77176%0.757SS**  -148.3166.4-56.1-148.9-156.6116.500109.4
645S29Very low29.4Very low88 Ų88123.1 Ų123.162%0.61575%0.748SS**  trans29112.8156.870.50000122.8
646A28.1Very low29.4Very low99 Ų99124.5 Ų124.582%0.81875%0.753SS**  54.6139.612100000124.1
647A27Very low29.4Very low111 Ų111126.4 Ų126.492%0.91775%0.749SS**  trans67.4148.1167.900000117.4
648G25.5Very low29.4Very low70 Ų70127.4 Ų127.472%0.72275%0.746SS**  cis153.7122.3-10.500000113.3
649A28.6Very low29.3Very low103 Ų103126.2 Ų126.285%0.85174%0.744SS**  trans69.8156.3174.300000115.2
650V26.9Very low29.4Very low126 Ų126128.5 Ų128.576%0.76475%0.748SS**  cis-162.2152.3-13115.70000111.2
651E28Very low29.6Very low147 Ų147127.8 Ų127.869%0.68774%0.744SS**  trans69.2150.2159.4-98.6-171.2-139.600124.7
652K27Very low30.1Very low178 Ų178125.5 Ų125.577%0.77473%0.734SS**  trans68.3158.3155.3-76.2-167.3179.273.70120.3
653A29Very low29.2Very low69 Ų69129 Ų12957%0.5774%0.74SS**  cis178.1151.7-35.700000108.4
654E29Very low29.4Very low189 Ų189124.6 Ų124.688%0.88374%0.736SS**  trans63.8153.4169.9-69.1-179.298.900115.7
655S32.3Very low29.4Very low81 Ų81120.2 Ų120.257%0.56674%0.736SS**  cis-168.8-178.4-18.5530000108.9
656T29.5Very low29.6Very low125 Ų125124.1 Ų124.177%0.76774%0.744SS**  trans64.5166.516054.60000118.7
657E30.5Very low29.8Very low155 Ų155125.9 Ų125.972%0.72474%0.739SS**  cis-164158.2-44.8-155.1-170.6113.600109.2
658N29.7Very low30Very low119 Ų119129.2 Ų129.264%0.63673%0.733SS**  trans31.2112.2151.8-79.8-30.7000123.4
659V30.9Very low30.1Very low117 Ų117131.3 Ų131.371%0.70973%0.732SS**  62.5106.8103.5171.70000120
660Q31.6Very low30Very low155 Ų155132.3 Ų132.372%0.72473%0.727SS**  105.9139.2120.2-176.2170-31.200124.2
661E31.7Very low30.2Very low156 Ų156133.8 Ų133.873%0.72973%0.73SS**  trans68155.2158.1-83.9-167.175.200121.8
662S34.3Very low30.3Very low81 Ų81130.1 Ų130.157%0.56672%0.72SS**  cis-166.4-178.2-22480000112.8
663Q31.4Very low31.7Very low187 Ų187128 Ų12887%0.87473%0.725SS**  trans83.1149167.9-57.1-172-2.500119.3
664A29.9Very low31.7Very low95 Ų95132 Ų13279%0.78573%0.732SS**  cis-171.2156.9-21.700000113.5
665G27.3Very low32.3Very low74 Ų74128.3 Ų128.376%0.76373%0.726SS**  trans86.2150.8158.700000118.6
666E33Very low32.5Very low170 Ų170129.8 Ų129.879%0.79473%0.732SS**  cis-160.3167.5-6.7-66.7-166.2140.100112
667N33.3Very low32.6Very low135 Ų135130.3 Ų130.372%0.72273%0.73SS**  trans77144.5160.8-61.6-68.9000119.7
668K31.3Very low32.6Very low182 Ų182127.7 Ų127.779%0.79173%0.725SS**  cis-174.4159.9-17-168.6-173.1175.1-176.60111.5
669V28.1Very low32.7Very low113 Ų113128.8 Ų128.869%0.68573%0.731SS**  trans89.6102.1163.4-172.40000117.4
670T26.6Very low32.8Very low124 Ų124127.7 Ų127.776%0.76173%0.729SS**  67139.297.7-12.60000115.3
671I29.8Very low32.8Very low158 Ų158127 Ų12781%0.8173%0.73SS**  cis-145.8156.329-42.2173.1000112.6
672S30.6Very low32.9Very low70 Ų70124 Ų12449%0.4972%0.722SS.*  trans-71.1-169.8168.3-36.40000113.9E674S672-E674 WeakPolarHBondContact CB-OE2 3.5Å; S672-E674 PolarHBondContact OG-OE2 3.5Å
673P55.1Low32.9Very low134 Ų134127.7 Ų127.787%0.8773%0.731SS**  cis-101.2-168.936.636.6-30000115.6
674E30.5Very low32.9Very low153 Ų153125.1 Ų125.172%0.71572%0.721SS**  trans-151.3152.9-153.9-80.5155.154.100114.5S672S672-E674 WeakPolarHBondContact CB-OE2 3.5Å; S672-E674 PolarHBondContact OG-OE2 3.5Å
675S40.5Very low32.8Very low110 Ų110129.9 Ų129.977%0.76973%0.728SS**  trans81161.1148.786.20000119.4
676T36.3Very low32.9Very low113 Ų113132.4 Ų132.469%0.69372%0.723SS**  cis-143176.48.832.80000108.4
677N33.4Very low32.8Very low135 Ų135132.3 Ų132.372%0.72272%0.72SS**  cis-166.6177.2-11.1-105.4-4.7000107.1
678T30.1Very low32.5Very low101 Ų101132 Ų13262%0.6272%0.723SS**  cis-158.2140.4-2.112.10000109.2
679D31.2Very low32.5Very low141 Ų141131.4 Ų131.475%0.75472%0.723SS**  trans47.1147135.9-72-54.3000124.3
680S33.1Very low32.6Very low95 Ų95135.2 Ų135.266%0.66473%0.733SS**  cis-168.3138.6-18.4-123.60000114.4
681N32.2Very low32.8Very low139 Ų139136.9 Ų136.974%0.74374%0.738SS**  trans72.3146.5130.7-150.618.2000125
682T32.5Very low32.8Very low94 Ų94133.5 Ų133.558%0.57773%0.733SS**  trans77.597.6148.226.50000124.3
683Q34.8Very low32.8Very low159 Ų159138.8 Ų138.874%0.74375%0.747SS**  73.7122.4112.8-74-168.7-14.600125.4
684I31.2Very low31.5Very low132 Ų132138.1 Ų138.168%0.67774%0.736SS**  57.4117.5127.5-44.7162.3000119.7
685Q29.2Very low31.6Very low196 Ų196138.2 Ų138.292%0.91674%0.741SS**  -169179.7111-98.9-17042.400113.1
686D28.8Very low32.1Very low126 Ų126137.5 Ų137.567%0.67473%0.734SS**  trans-139.8164.8-141.6-171.920.1000112.8
687K31.4Very low31.8Very low168 Ų168139.8 Ų139.873%0.7374%0.736SS**  trans71.9125.8157.5-81.3169-173.6171.40124.4
688V26.8Very low31.7Very low129 Ų129140 Ų14078%0.78274%0.737SS**  96.9140.8121.8165.80000121.6
689H31.1Very low31.7Very low169 Ų169141.6 Ų141.678%0.78274%0.742SS**  trans-58.6156.4174.8-51.8-87.8000115.6
690Q30.2Very low31.7Very low194 Ų194142 Ų14291%0.90774%0.744SS**  -174.1170.296-97.4-168.60.500113.9
691D29.7Very low31.5Very low159 Ų159140.2 Ų140.285%0.8574%0.74SS**  trans-74.1172.5-177.5-72-90.7000115.8
692A30.2Very low31.4Very low86 Ų86139 Ų13971%0.71174%0.742SS**  trans99.695.7142.700000120.9
693K30.9Very low31.2Very low182 Ų182142.7 Ų142.779%0.79175%0.753SS**  78154.1115.6-86.2-166.2171.3-162.90123.5
694D27.6Very low31.1Very low120 Ų120142 Ų14264%0.64275%0.75SS**  trans68.5108157.9-57.3-16.5000116.6
695L31.8Very low31.3Very low155 Ų155142.6 Ų142.681%0.81275%0.75SS**  75.1149.187.7-94.691.1000114.3
696P51.5Low31.2Very low95 Ų95139 Ų13962%0.61774%0.742SS**  cis-142.9-159.3-27.537.7-16.2000113.7
697E29.8Very low31.3Very low160 Ų160138.7 Ų138.775%0.74875%0.749SS**  trans91.9133.6138.4-96.3-175.415000123.6
698L32.1Very low31.1Very low139 Ų139134.9 Ų134.973%0.72875%0.749SS**  trans70.2147.2148.6-61.5172.1000120.1
699D30.5Very low31.2Very low136 Ų136139.4 Ų139.473%0.72775%0.752SS**  cis-167.8168.1-25.7-155.4-5000109.6
700D30.6Very low31.2Very low150 Ų150142 Ų14280%0.80276%0.755SS**  trans51.4147.5154.9-13820.7000120.2
701G27.9Very low31.1Very low56 Ų56137.8 Ų137.858%0.57775%0.747SS**  cis-175.9140.42.300000115.2
702S30.3Very low31.1Very low114 Ų114134.8 Ų134.880%0.79774%0.738SS**  trans30.8125.9141.9-52.10000123.8
703Q28.7Very low31.2Very low171 Ų171141.7 Ų141.780%0.79975%0.746SS**  trans145.8118.3134.2-77.7-158.3-85.700111.6
704E32.3Very low31.2Very low146 Ų146137.2 Ų137.268%0.68274%0.737SS**  68.2128.975-71.9-143.5118.200114.4
705Q35.9Very low31.4Very low143 Ų143137.6 Ų137.667%0.66875%0.749SS**  cis-153162.63.3-101.4175.426.400108.8
706T28Very low31.4Very low122 Ų122134.2 Ų134.275%0.74874%0.744SS**  179.1149.282.336.40000115
707S30.1Very low30.4Very low118 Ų118137 Ų13783%0.82575%0.754SS**  trans90.4150.5147.584.50000123.1
708A27.9Very low30.2Very low89 Ų89139.2 Ų139.274%0.73676%0.757SS**  trans82.865155.700000123.8
709R28.1Very low30.4Very low224 Ų224137.8 Ų137.885%0.84576%0.757SS**  53.6112.7129-67.9-176.6174.7-136.2-0.9123.4
710R31.3Very low30.3Very low224 Ų224139.8 Ų139.885%0.84577%0.767SS**  61.4118115.4-68.1-177.9179.5-150.7-0.7120.8
711S28Very low30.5Very low105 Ų105142.6 Ų142.673%0.73477%0.766SS**  90.9141.480.6-156.50000112.8
712S30Very low30.7Very low95 Ų95149.8 Ų149.866%0.66478%0.781SS**  cis-159.8158.622.1-29.50000113.7
713R33Very low30.9Very low231 Ų231149.3 Ų149.387%0.87278%0.778SS**  30.5157.1120.9-58.3178.378.6169.510.2121.6
714S30.7Very low31.1Very low88 Ų88147.3 Ų147.362%0.61578%0.783SS**  cis175.3143.1-24.457.90000111.1
715S31Very low31.1Very low128 Ų128143.8 Ų143.890%0.89579%0.786SS**  trans62.6162.6157-154.30000119.8
716A31.3Very low30.9Very low84 Ų84142 Ų14269%0.69479%0.789SS**  trans-96.5165.8175.100000112.5
717D30.1Very low31.1Very low154 Ų154147.5 Ų147.582%0.82480%0.796SS**  -170.1-173.5109-128-45.3000114.9
718Y27.4Very low31.1Very low207 Ų207145.7 Ų145.781%0.81280%0.797SS**  trans-76.3150.2-158.2-104.2-111.1000120.8
719C35.6Very low31.2Very low108 Ų108146.9 Ų146.973%0.7380%0.799SS**  trans0.9152.1154.2-57.30000123.1
720L28.6Very low32Very low178 Ų178146.1 Ų146.193%0.93280%0.802SS**  -147.9162.5121.7-115.1175000113.6
721R34.5Very low32Very low210 Ų210141.7 Ų141.779%0.79280%0.8SS**  trans-120.1145.4-169.2-179.8-156.4-67.5-161.8-2.1110.6
722K31.5Very low32.4Very low206 Ų206143 Ų14390%0.89680%0.804SS**  trans-154.8156.7140.4-117.3161.3-172.6174.50114
723S35.8Very low32.7Very low104 Ų104149.7 Ų149.773%0.72781%0.814SS**  trans-138.7154.4-176.5-44.10000108.4
724S31.6Very low32.7Very low129 Ų129149.1 Ų149.190%0.90281%0.812SS**  trans-153.1151.8155.1-1640000110
725G32.5Very low32.8Very low73 Ų73153.5 Ų153.575%0.75383%0.828SS**  trans-144.6164.8174.300000109.8
726S32Very low33Very low105 Ų105150.9 Ų150.973%0.73481%0.809SS**  trans-151.1139.6179.6-1690000112.2
727R31.9Very low33Very low237 Ų237154.7 Ų154.789%0.89481%0.813SS**  trans15.4127.4145.6-52.9166.6-177.9176.5-0.8116.4
728G29.6Very low33Very low81 Ų81155.2 Ų155.284%0.83582%0.816SS**  cis106.5112.414.700000111.7
729S31.6Very low33.4Very low113 Ų113152 Ų15279%0.7981%0.812SS**  trans-154.4156.3175.2-174.60000111.3
730K45Very low33.2Very low208 Ų208156.8 Ų156.890%0.90482%0.821SS**  trans-125.6125.6170.1-67.6178.7-179.9177.30108.4
731V31.3Very low33.5Very low131 Ų131153.6 Ų153.679%0.79481%0.813SS**  trans-136.8134.8167.81800000109.9
732T36.4Very low33.5Very low133 Ų133146.9 Ų146.982%0.81681%0.809SS**  trans-109.4128.2176.751.40000111
733R35Very low34Very low235 Ų235143.3 Ų143.389%0.88781%0.807SS**  trans-159.8121.1155.6-99.7158.5-165.3-141.42.3105.5
734R33.2Very low33.8Very low220 Ų220146.1 Ų146.183%0.8381%0.808SS**  48.8100.169.5-80-158.1176.6-143.82.2112.7
735L32.9Very low34Very low180 Ų180150.1 Ų150.194%0.94281%0.81SS**  trans-115.2124.5133-69.8176.3000106.9
736S35.7Very low34Very low72 Ų72152 Ų15250%0.50381%0.806SS.*  trans-94.3-177.2160.640.80000108.4
737E31.4Very low33.8Very low165 Ų165154.3 Ų154.377%0.77181%0.81SS**  trans63.9104.3174.7-64.3126.1115.400115.1
738D30.2Very low33.9Very low165 Ų165150.8 Ų150.888%0.88280%0.804SS**  -129.6147.799.6-154-6.3000109.8
739L34.5Very low34Very low139 Ų139151.5 Ų151.573%0.72880%0.796SS**  trans-107.6120.4177.2-83.8162000107.7
740F32.1Very low34Very low209 Ų209153.8 Ų153.892%0.91780%0.795SS**  trans-163.7117.6135.9-106.8-65.1000112.4
741S35Very low33.1Very low111 Ų111152.5 Ų152.578%0.77679%0.789SS**PPolyproline II helixtrans-63.1140162.4-58.50000109.8
742G33.6Very low32.9Very low68 Ų68151.1 Ų151.170%0.70179%0.786SS**PPolyproline II helixtrans-62137.5175.800000111.7
743P42.7Very low32.6Very low131 Ų131149.1 Ų149.185%0.85178%0.782SS**PPolyproline II helixtrans-73135.3-176.128.6-34.7000112.2
744E32.2Very low32.3Very low164 Ų164143.8 Ų143.877%0.76678%0.781SS**PPolyproline II helixtrans-65.3154.6165.7-54.3-176.5127.900111.3
745K35.7Very low32.1Very low213 Ų213142 Ų14293%0.92678%0.782SS**  trans-139.2127.1134.4-76.6-154.7174.1-174.90110.4
746T32.4Very low33.4Very low111 Ų111137.9 Ų137.968%0.68177%0.766SS**  trans-92157.6-179.143.90000111.9
747N28.1Very low33Very low154 Ų154142.1 Ų142.182%0.82478%0.778SS**  trans-166135.3155.4-95.2-23000106.5
748Q32.9Very low32.9Very low164 Ų164141.5 Ų141.577%0.76678%0.779SS**  cis-164.6145.6-14.6-169.6176.529.900107.4
749S31Very low33Very low95 Ų95140.9 Ų140.966%0.66477%0.771SS**  trans55.8126.5170.240.80000117.9
750Q31.7Very low33.8Very low162 Ų162138.8 Ų138.876%0.75777%0.766SS**  57.4134.971.9-71.3-177.1-29.700113.6
751F26.5Very low34Very low181 Ų181136.5 Ų136.579%0.79476%0.756SS**  cis-135.4179.613.2-113.5-76.2000112.6
752S28.5Very low34Very low102 Ų102136 Ų13671%0.71374%0.741SS**  trans-99.5144-175.354.10000114.8
753A29.5Very low34.2Very low91 Ų91135.8 Ų135.875%0.75273%0.732SS**  trans-177149135.900000114.1
754S28.1Very low33.8Very low123 Ų123136.7 Ų136.786%0.8672%0.723SS**  trans61.2139.6151.342.90000123.7
755Q29.9Very low34.1Very low181 Ų181132.6 Ų132.685%0.84671%0.712SS**  trans-77.2-179.7161.4-87.8-177.3-77.500112.4
756P59.6Low34.1Very low94 Ų94126.4 Ų126.461%0.6169%0.687SS**  cis-139.5-156.6-36.738.6-18.6000113.1
757E27.8Very low34.4Very low161 Ų161126.8 Ų126.875%0.75268%0.681SS**  trans95.5134.9147.9-89.3-179.998.300125.2
758L29.8Very low34.6Very low153 Ų153121.1 Ų121.180%0.80166%0.655SS**  trans74.1169.3148.6-63.9172000123.9
759Q31.1Very low34.7Very low152 Ų152117.4 Ų117.471%0.7164%0.643SS**  trans-117.7-155-160.2-38.9176.1-9.300112.6
760P52Low35.7Very low94 Ų94117.1 Ų117.161%0.6164%0.639SS**  cis-140.2-166.6-24.233.3-10.2000116.3
761K35.4Very low35.7Very low162 Ų162112.6 Ų112.670%0.70464%0.636SS**  trans78168.2156.3-72-173.1173.6-77.20120.6
762E35.3Very low36Very low101 Ų101110.6 Ų110.647%0.47264%0.638SS.*  cis-177.6176.5-31.1-95.1173.8-175.300109.1K392K392-E762 HydrophobicContact CD-CG 3.93Å; K392-E762 VanDerWaalsContact CE-CD 3.41Å; K392-E762 WeakPolarHBondContact CE-OE1 3.49Å; K392-E762 WeakPolarHBondContact CE-OE2 3.12Å; K392-E762 IonicContact NZ-OE1 2.71Å; K392-E762 IonicContact NZ-OE2 2.73Å; K392-E762 PolarHBondContact NZ-OE2 3.44Å
763A37.6Very low36.3Very low62 Ų62111 Ų11151%0.51264%0.636SS.*  cis-175.4-170-28.200000110.9K392K392-A763 HydrophobicContact CD-CB 3.62Å
764K35.3Very low36.6Very low151 Ų151114 Ų11466%0.65764%0.64SS**  trans80.9156.8171.6-93.7-170.2166.3-71.60118.9E766K764-E766 IonicContact NZ-OE1 3.8Å; K764-E766 PolarHBondContact NZ-OE1 3.12Å; K764-E766 IonicContact NZ-OE2 3.37Å; K764-E766 PolarHBondContact NZ-OE2 3.02Å
765S37Very low36.8Very low77 Ų77116 Ų11654%0.53864%0.641SS.*  cis-175.3149.4240.40000115.7
766E36.4Very low37Very low84 Ų84111.7 Ų111.739%0.39364%0.636SS.*  trans48.6157.4130.9-61.5116.8-117.600123G395 K764G395-E766 WeakPolarHBondContact O-CA 3.38Å; G395-E766 PolarHBondContact O-N 3.03Å; K764-E766 IonicContact NZ-OE1 3.8Å; K764-E766 PolarHBondContact NZ-OE1 3.12Å; K764-E766 IonicContact NZ-OE2 3.37Å; K764-E766 PolarHBondContact NZ-OE2 3.02Å
767Q37.9Very low35.6Very low119 Ų119110.9 Ų110.956%0.55665%0.645SS**  cis166.9140.9-13.2170.5172.2-75.100113T396 H397 E398T396-Q767 HydrophobicContact CG2-CB 4.33Å; T396-Q767 HydrophobicContact CG2-CG 3.79Å; T396-Q767 PolarHBondContact OG1-OE1 3.2Å; H397-Q767 CarbonylContact O-C 3.56Å; H397-Q767 VanDerWaalsContact O-CA 3.24Å; H397-Q767 WeakPolarHBondContact O-CA 3.24Å; E398-Q767 VanDerWaalsContact CD-C 3.48Å; E398-Q767 VanDerWaalsContact OE1-C 3.24Å; E398-Q767 VanDerWaalsContact OE1-O 3.08Å
768A32.8Very low35.8Very low34 Ų34110.8 Ų110.828%0.28164%0.644SS.*  cis-179.5154.8-13.300000117.4T396 H397 E398T396-A768 HydrophobicContact CG2-CB 3.86Å; H397-A768 HydrophobicContact CB-CB 3.8Å; H397-A768 WeakPolarHBondContact O-CA 3.35Å; H397-A768 WeakPolarHBondContact O-CB 3.42Å; H397-A768 PolarHBondContact O-N 3.08Å; E398-A768 PolarHBondContact OE1-N 3.01Å
769V34.6Very low35.8Very low87 Ų87111.8 Ų111.853%0.52764%0.638SS.*  trans167.9-148.9161.11690000121.5
770P52.7Low35.8Very low89 Ų89110.8 Ų110.858%0.57863%0.633SS**  trans-86.5-158.9-153.5-9.929000122E399E399-P770 VanDerWaalsContact CG-O 3.27Å; E399-P770 WeakPolarHBondContact CG-O 3.46Å; E399-P770 WeakPolarHBondContact OE1-CD 3.27Å
771G31.8Very low34.9Very low66 Ų66112.6 Ų112.668%0.6863%0.633SS**  cis164.9158.4-17.900000119.7
772V33.9Very low34.6Very low140 Ų140113 Ų11385%0.84864%0.638SS**  trans95.9113.9149.4179.50000125.8
773T34.3Very low34.4Very low110 Ų110116.6 Ų116.668%0.67565%0.654SS**  trans44.1125.3145.966.20000129.3
774D35.3Very low35Very low154 Ų154118.9 Ų118.982%0.82466%0.664SS**  71.8135.4118.1-50.5-25.9000129.1
775D33.1Very low34.9Very low164 Ų164118 Ų11888%0.87767%0.667SS**  trans97.7149.1140-142.9-139.7000125.8
776A33.9Very low34.6Very low91 Ų91118.8 Ų118.875%0.75268%0.678SS**  trans-40.3167.8-167.800000124.9
777G28.9Very low34.5Very low77 Ų77118.2 Ų118.279%0.79468%0.683SS**  trans157.785.6148.700000121.9
778E33.2Very low34.6Very low159 Ų159121.4 Ų121.474%0.74370%0.695SS**  trans43133.8144.7-73.2-155.911800127.1
779R29.3Very low34.8Very low175 Ų175130.1 Ų130.166%0.6672%0.721SS**  trans77.7129.4130.9-75.1175.4-175.4-95.5-3.3125.5
780Q32Very low34.8Very low131 Ų131135.5 Ų135.561%0.61274%0.737SS**  trans63.2148.5132.6-65.8177.4-101.300119.8
781E31.8Very low33.9Very low132 Ų132134.7 Ų134.762%0.61775%0.746SS**  cis-164.2162-10.5-123.7-176.2117.800113.3
782Q30Very low34.3Very low171 Ų171138.6 Ų138.680%0.79975%0.75SS**  trans68.7159.7150.4-68.2-174.829.700123.5
783Q31.3Very low34.3Very low175 Ų175141 Ų14182%0.81875%0.749SS**  trans-99.7-169.5-172.6-86.4-112.11.300111.1
784P50.3Low34.6Very low111 Ų111147.5 Ų147.572%0.72176%0.762SS**  cis-147175.515.244.7-24.2000120.7
785D31.8Very low34.6Very low132 Ų132148.9 Ų148.971%0.70676%0.76SS**  trans33.1135.8145.5-171.833.5000123.4S787D785-S787 PolarHBondContact OD1-N 2.8Å
786A30.6Very low34.5Very low94 Ų94148 Ų14878%0.77776%0.755SS**  trans-168.999133.400000116.3
787S35.1Very low34.3Very low72 Ų72153.1 Ų153.150%0.50376%0.76SS.*  43.4124.2127.9-88.40000124.9D785D785-S787 PolarHBondContact OD1-N 2.8Å
788K39.7Very low34.4Very low186 Ų186153.3 Ų153.381%0.80976%0.762SS**  trans85132.9130-60.7165.3-175.7112.90123.1
789R36.6Very low34.2Very low216 Ų216155 Ų15582%0.81577%0.77SS**  127.8113112.2-128.9-177.2179.7-165.40119.5
790F34.5Very low34.5Very low200 Ų200154.5 Ų154.588%0.87778%0.775SS**  trans58.7141.9136.9-86.9-124.9000123.4
791G34.4Very low34.9Very low73 Ų73154.1 Ų154.175%0.75378%0.784SS**  trans146.6100.6143.600000117
792L39.6Very low35Very low148 Ų148156.5 Ų156.578%0.77579%0.792SS**  trans-101.6155172-81.182.3000113.4
793F34.3Very low35.2Very low189 Ų189158.1 Ų158.183%0.82980%0.797SS**  trans66.2107159.4-63.3-60.9000121.4
794R40Very low35.2Very low247 Ų247153.9 Ų153.993%0.93279%0.792SS**  -154.1129.6124.6-96.2165.9-160.8-125.12.9106.7
795K36.4Very low34.6Very low184 Ų184157.5 Ų157.580%0.880%0.796SS**  cis99.9112.326.4-169.8169.7-177.8173.10113.4
796L29.9Very low34.8Very low146 Ų146157.4 Ų157.476%0.76480%0.802SS**  trans77.6113.2164.6-10272.3000121.1
797K30.8Very low35.2Very low198 Ų198162.8 Ų162.886%0.86181%0.809SS**  70.168.4121.9-156-177.2-178.2-176.80119.9
798G30.7Very low35.3Very low81 Ų81169.4 Ų169.484%0.83583%0.828SS**  73.3116.7112.300000120.3
799E29.3Very low35.7Very low194 Ų194169.9 Ų169.991%0.90783%0.83SS**  trans-143.9159.8159.6-144.4171-168.800110.5
800Q35.9Very low36.1Very low164 Ų164165.6 Ų165.677%0.76683%0.83SS**  trans-141.2101-169.6-95.4-85.7-16.800112.1
801P39.9Very low36.4Very low124 Ų124165.5 Ų165.581%0.80583%0.83SS**  trans-81.6141.1170.931.9-31.9000111.7
802K33.5Very low36.6Very low181 Ų181170.7 Ų170.779%0.78784%0.836SS**  trans-113.8128.5-173.4-78.8179.2177.4170.80113.3
803K34.7Very low36.9Very low205 Ų205172.6 Ų172.689%0.89184%0.842SS**  trans71.3143.1166.7-50.9169.2179.3178.90112.8
804A32Very low37.4Very low86 Ų86169.7 Ų169.771%0.71184%0.839SS**  cis-155.8-171.910.800000110.1
805K37Very low37.6Very low188 Ų188163.2 Ų163.282%0.81783%0.829SS**  cis-158.332.60-148.5176.5-170.6-176.40115.1
806P36.4Very low38Very low129 Ų129164.1 Ų164.184%0.83883%0.833SS**PPolyproline II helixtrans-61.4145.6-166.628.4-36.2000113.6
807K38Very low38.9Very low208 Ų208164.4 Ų164.490%0.90483%0.833SS**PPolyproline II helixtrans-74.3155.7-177.2-67.4178.6-178.9174.40111.7K809K807-K809 PolarHBondContact O-N 2.75Å
808K38.5Very low39.2Very low210 Ų210161.9 Ų161.991%0.91383%0.828SS**PPolyproline II helixtrans-60.6129.2178.5-57.8172.1-177.3173.70110.9
809K46.2Very low40Very low196 Ų196163 Ų16385%0.85282%0.819SS**PPolyproline II helixtrans-81.3148.9152.7-71.8-169.2175.9-172.50108.9K807K807-K809 PolarHBondContact O-N 2.75Å
810P45.2Very low40.5Very low126 Ų126159.7 Ų159.782%0.81880%0.803SS**PPolyproline II helixtrans-68.2155.5-178.428.5-35000111.9
811K41.8Very low40.5Very low198 Ų198158 Ų15886%0.86180%0.8SS**PPolyproline II helixtrans-77.5135.8169-66.6-177.2177.1-175.60109Q813K811-Q813 PolarHBondContact O-N 2.91Å
812M38.7Very low40.4Very low182 Ų182160.6 Ų160.690%0.89780%0.799SS**PPolyproline II helixtrans-55.9135.6163.6-69.8136.667.600109.4
813Q44.6Very low40.8Very low189 Ų189156.1 Ų156.188%0.88379%0.79SS**PPolyproline II helixtrans-75.1129.2170.2-63.7-172.614.900108.4K811K811-Q813 PolarHBondContact O-N 2.91Å
814V46.3Very low41.1Very low128 Ų128153.9 Ų153.978%0.77679%0.788SS**PPolyproline II helixtrans-72.9128.2166.5179.50000107.1K816V814-K816 PolarHBondContact O-N 3.1Å
815P44.5Very low41.2Very low110 Ų110156.4 Ų156.471%0.71479%0.794SS**PPolyproline II helixtrans-55.6126174.2-25.635000110.5I817P815-I817 PolarHBondContact O-N 3.46Å; P815-I817 VanDerWaalsContact O-N 3.08Å
816K44.4Very low41.1Very low203 Ų203155.2 Ų155.288%0.88379%0.793SS**  trans-72.5101.4170.9-69.9-179.3-179.3177.20107.8V814 L818V814-K816 PolarHBondContact O-N 3.1Å; K816-L818 PolarHBondContact O-N 2.82Å
817I47.8Very low41.1Very low152 Ų152154.6 Ų154.678%0.77979%0.789SS**  trans-64.9106165.2-58.6176.2000106.4P815 V819P815-I817 PolarHBondContact O-N 3.46Å; P815-I817 VanDerWaalsContact O-N 3.08Å; I817-V819 HydrophobicContact CG2-CG2 4.28Å; I817-V819 PolarHBondContact O-N 2.63Å; I817-V819 VanDerWaalsContact O-N 3.12Å
818L37.6Very low41.3Very low145 Ų145149.2 Ų149.276%0.75978%0.784SS**  trans-76.594.4173.1-169.979.1000107.5K816 Q820K816-L818 PolarHBondContact O-N 2.82Å; L818-Q820 PolarHBondContact O-N 3.24Å; L818-Q820 VanDerWaalsContact O-N 3.09Å
819V47Very low41.3Very low105 Ų105146.9 Ų146.964%0.63678%0.781SS**  trans-71.5102.7165.2-175.10000106.2I817 D821I817-V819 HydrophobicContact CG2-CG2 4.28Å; I817-V819 PolarHBondContact O-N 2.63Å; I817-V819 VanDerWaalsContact O-N 3.12Å; V819-D821 WeakPolarHBondContact CG1-OD1 3.42Å; V819-D821 PolarHBondContact O-N 2.59Å
820Q40.2Very low40.6Very low124 Ų124146.5 Ų146.558%0.57978%0.783SS**  trans-87.993.1174.8-175.2170.1-6.100107.7L818 F822L818-Q820 PolarHBondContact O-N 3.24Å; L818-Q820 VanDerWaalsContact O-N 3.09Å; Q820-F822 HydrophobicContact CB-CD2 4.49Å; Q820-F822 HydrophobicContact CB-CE2 4.13Å; Q820-F822 HydrophobicContact CG-CD2 4.09Å; Q820-F822 HydrophobicContact CG-CE2 3.63Å; Q820-F822 HydrophobicContact CG-CZ 3.95Å; Q820-F822 VanDerWaalsContact O-CD2 3.27Å; Q820-F822 WeakPolarHBondContact O-CD2 3.09Å; Q820-F822 PolarHBondContact O-N 2.86Å
821D36.1Very low40.5Very low129 Ų129145.9 Ų145.969%0.6978%0.778SS**  trans-67.298179.8-67.7-46000110.1V819 S823V819-D821 WeakPolarHBondContact CG1-OD1 3.42Å; V819-D821 PolarHBondContact O-N 2.59Å; D821-S823 PolarHBondContact O-N 3.49Å
822F38.8Very low40.2Very low179 Ų179141.1 Ų141.179%0.78578%0.776SS**  trans-78.767.5174.2-77.7-82.3000111.2Q820Q820-F822 HydrophobicContact CB-CD2 4.49Å; Q820-F822 HydrophobicContact CB-CE2 4.13Å; Q820-F822 HydrophobicContact CG-CD2 4.09Å; Q820-F822 HydrophobicContact CG-CE2 3.63Å; Q820-F822 HydrophobicContact CG-CZ 3.95Å; Q820-F822 VanDerWaalsContact O-CD2 3.27Å; Q820-F822 WeakPolarHBondContact O-CD2 3.09Å; Q820-F822 PolarHBondContact O-N 2.86Å
823S41.2Very low40.4Very low86 Ų86138.4 Ų138.460%0.60177%0.769SS**  trans-140.884171.361.50000110.6D821D821-S823 PolarHBondContact O-N 3.49Å
824D40.3Very low40.4Very low159 Ų159138 Ų13885%0.8577%0.768SS**  trans-178.474.3146.1-92.6-17.7000110.7
825V34.1Very low40.3Very low138 Ų138140.5 Ų140.584%0.83677%0.771SS**  trans-137.485.4157.9-174.80000107.9
826M36.5Very low40.2Very low163 Ų163141.2 Ų141.280%0.80377%0.769SS**  trans-91134.1160.9-70.4-80.980.600108.5
827P35.2Very low40.5Very low116 Ų116135.3 Ų135.375%0.75376%0.758SS**  trans-64.9136.5167.829.6-32.9000108.6D829P827-D829 PolarHBondContact O-N 3.37Å
828A41.8Very low40.6Very low96 Ų96133.1 Ų133.179%0.79374%0.744SS**  trans-75.5115.3175.100000109.9
829D39Very low41.3Very low160 Ų160133.8 Ų133.886%0.85674%0.743SS**  trans-166.9157.5139.7-99.9-31.6000111.3P827P827-D829 PolarHBondContact O-N 3.37Å
830E31.1Very low41.5Very low189 Ų189137.8 Ų137.888%0.88375%0.752SS**SBendtrans68.9148.2-175.8-62.2-141.8123.200118.1
831P42.7Very low42.5Very low112 Ų112133.7 Ų133.773%0.72773%0.734SS**  trans-97.8137.4-153.236-34.4000115.5
832A35.8Very low44.3Very low98 Ų98131.4 Ų131.481%0.8173%0.728SS**  trans-67.913716900000112.2
833V43.9Very low45.9Very low125 Ų125127.7 Ų127.776%0.75873%0.725SS**  trans-134.9117167.6177.70000109.1
834Q43.2Very low47.5Very low181 Ų181134.1 Ų134.185%0.84674%0.736SS**SBendtrans89.339158.6-154.5163.789.800119.7
835E45.1Very low49.3Very low180 Ų180129.2 Ų129.284%0.84171%0.708SS**  trans-113.4-20.8162.3-65-150.4134.800115.6A837 E838E835-A837 PolarHBondContact O-N 2.84Å; E835-E838 PolarHBondContact O-N 2.91Å
836D43.5Very low51.5Low126 Ų126129.7 Ų129.767%0.67469%0.694SS**THydrogen-bonded Turntrans-60.2-6.9-171.4-53.2-80.4000117.1
837A48.7Very low53.6Low79 Ų79130 Ų13065%0.65369%0.686SS**THydrogen-bonded Turntrans-86.6-19-172.100000114.7E835E835-A837 PolarHBondContact O-N 2.84Å
838E50.2Low56.1Low105 Ų105130.4 Ų130.449%0.49167%0.673SS.*SBendtrans-95.7-24.7-175.7-72.9-94.911600113.3E835 L841 R849E835-E838 PolarHBondContact O-N 2.91Å; E838-L841 WeakPolarHBondContact O-CB 3.47Å; E838-L841 WeakPolarHBondContact O-CG 3.4Å; E838-L841 PolarHBondContact O-N 3.43Å; E838-R849 IonicContact OE1-CZ 3.5Å; E838-R849 IonicContact OE1-NH1 3.5Å; E838-R849 PolarHBondContact OE1-NH1 2.8Å
839E53Low58.1Low159 Ų159130.4 Ų130.474%0.74365%0.652SS**THydrogen-bonded Turntrans-73.4-37-168.4-162175.9-138.300113.3L841E839-L841 PolarHBondContact O-N 2.84Å; E839-L841 VanDerWaalsContact O-N 3.1Å
840K52.1Low60.4Low190 Ų190131.9 Ų131.983%0.82665%0.646SS**THydrogen-bonded Turntrans-76.59-179.6-68.5167.3-176.8160.30114S842K840-S842 PolarHBondContact O-N 3.21Å
841L59.7Low63.1Low37 Ų37129.4 Ų129.419%0.19463%0.629CS.*  trans-84113.6-178.5-62.3177.1000112.4E838 E839 E845E838-L841 WeakPolarHBondContact O-CB 3.47Å; E838-L841 WeakPolarHBondContact O-CG 3.4Å; E838-L841 PolarHBondContact O-N 3.43Å; E839-L841 PolarHBondContact O-N 2.84Å; E839-L841 VanDerWaalsContact O-N 3.1Å; L841-E845 HydrophobicContact CD2-CG 4.25Å
842S75.1Confident65.2Low82 Ų82127.6 Ų127.657%0.57361%0.611SS**  trans-45.4141.8171.2179.10000112.4K840 R844 E845 R846K840-S842 PolarHBondContact O-N 3.21Å; S842-R844 PolarHBondContact O-N 3.1Å; S842-E845 WeakPolarHBondContact O-CA 3.32Å; S842-E845 WeakPolarHBondContact O-CB 3.47Å; S842-E845 PolarHBondContact O-N 3.04Å; S842-R846 PolarHBondContact O-N 2.99Å
843S71.6Confident67.4Low101 Ų101127.8 Ų127.871%0.70660%0.595SS**Hα-helixtrans-49.2-33.6178.4178.80000113.7R847S843-R847 WeakPolarHBondContact O-CB 3.48Å; S843-R847 PolarHBondContact O-N 3.31Å
844R74.9Confident69.6Low220 Ų220127.2 Ų127.283%0.8358%0.584SS**Hα-helixtrans-65.3-39.5174.4-176.8175.1176.8172.1-2.2112.8S842 R848S842-R844 PolarHBondContact O-N 3.1Å; R844-R848 PolarHBondContact O-N 3.44Å; R844-R848 VanDerWaalsContact O-N 3.11Å
845E78.2Confident71.8Confident56 Ų56127.5 Ų127.526%0.26258%0.577SS.*Hα-helixtrans-79.3-38.8179.3-172.155.9-149.900111.4L841 S842 R847 R848 R849L841-E845 HydrophobicContact CD2-CG 4.25Å; S842-E845 WeakPolarHBondContact O-CA 3.32Å; S842-E845 WeakPolarHBondContact O-CB 3.47Å; S842-E845 PolarHBondContact O-N 3.04Å; E845-R847 VanDerWaalsContact C-N 3.25Å; E845-R847 PolarHBondContact O-N 3.17Å; E845-R848 CarbonylContact O-C 3.48Å; E845-R848 WeakPolarHBondContact O-CA 3.49Å; E845-R848 VanDerWaalsContact O-CB 3.31Å; E845-R848 WeakPolarHBondContact O-CB 3.42Å; E845-R848 PolarHBondContact O-N 3.27Å; E845-R848 IonicContact OE1-NH1 3.3Å; E845-R848 WeakPolarHBondContact OE2-CD 3.4Å; E845-R848 IonicContact OE2-NH1 2.62Å; E845-R849 PolarHBondContact O-N 3.47Å
846R80.1Confident73.9Confident148 Ų148125.9 Ų125.956%0.55857%0.567SS**Hα-helixtrans-56.8-40.9169.6-164.4179.7-69-166.6-1.5111.2S842 R848 R850S842-R846 PolarHBondContact O-N 2.99Å; R846-R848 VanDerWaalsContact C-N 3.32Å; R846-R848 PolarHBondContact O-N 3.37Å; R846-R850 PolarHBondContact O-N 3.26Å; R846-R850 VanDerWaalsContact O-N 3.16Å
847R80.8Confident76.1Confident169 Ų169126 Ų12664%0.63856%0.564SS**Hα-helixtrans-71.6-21173.6-164.2173.6-168.9-179.25.4113.8S843 E845 R851S843-R847 WeakPolarHBondContact O-CB 3.48Å; S843-R847 PolarHBondContact O-N 3.31Å; E845-R847 VanDerWaalsContact C-N 3.25Å; E845-R847 PolarHBondContact O-N 3.17Å; R847-R851 WeakPolarHBondContact O-CD 3.45Å; R847-R851 WeakPolarHBondContact O-CG 3.4Å
848R87.9Confident78.1Confident125 Ų125127.8 Ų127.847%0.47256%0.557SS.*Hα-helixtrans-77.7-54.7171.7-176.7-167.5171.8-172-5.7110.6R844 E845 R846 R850 R851 E852R844-R848 PolarHBondContact O-N 3.44Å; R844-R848 VanDerWaalsContact O-N 3.11Å; E845-R848 CarbonylContact O-C 3.48Å; E845-R848 WeakPolarHBondContact O-CA 3.49Å; E845-R848 VanDerWaalsContact O-CB 3.31Å; E845-R848 WeakPolarHBondContact O-CB 3.42Å; E845-R848 PolarHBondContact O-N 3.27Å; E845-R848 IonicContact OE1-NH1 3.3Å; E845-R848 WeakPolarHBondContact OE2-CD 3.4Å; E845-R848 IonicContact OE2-NH1 2.62Å; R846-R848 VanDerWaalsContact C-N 3.32Å; R846-R848 PolarHBondContact O-N 3.37Å; R848-R850 VanDerWaalsContact C-N 3.27Å; R848-R850 PolarHBondContact O-N 2.98Å; R848-R851 WeakPolarHBondContact O-CA 3.41Å; R848-R851 WeakPolarHBondContact O-CB 3.45Å; R848-R851 PolarHBondContact O-N 3.44Å; R848-E852 WeakPolarHBondContact CG-OE1 3.29Å; R848-E852 IonicContact CZ-OE1 3.46Å; R848-E852 IonicContact NE-OE1 2.76Å; R848-E852 PolarHBondContact NE-OE1 2.64Å; R848-E852 IonicContact NH2-OE1 2.75Å; R848-E852 PolarHBondContact NH2-OE1 2.73Å; R848-E852 PolarHBondContact O-N 2.7Å
849R82.5Confident80Confident96 Ų96128.5 Ų128.536%0.36256%0.56SS.*Hα-helixtrans-51.4-45.3177.3-73.4-166.2179.4-165.4-0.4111.7E838 E845 R851 E852 Q853E838-R849 IonicContact OE1-CZ 3.5Å; E838-R849 IonicContact OE1-NH1 3.5Å; E838-R849 PolarHBondContact OE1-NH1 2.8Å; E845-R849 PolarHBondContact O-N 3.47Å; R849-R851 VanDerWaalsContact C-N 3.3Å; R849-R851 PolarHBondContact O-N 3.47Å; R849-E852 CarbonylContact O-C 3.42Å; R849-E852 PolarHBondContact O-N 3.47Å; R849-Q853 WeakPolarHBondContact O-CG 3.36Å; R849-Q853 PolarHBondContact O-N 3.02Å
850R87.8Confident81.8Confident192 Ų192125.7 Ų125.773%0.72555%0.547SS*.Hα-helixtrans-57.1-37.4175.9-170.6172.1179.81712.2114R846 R848 E854R846-R850 PolarHBondContact O-N 3.26Å; R846-R850 VanDerWaalsContact O-N 3.16Å; R848-R850 VanDerWaalsContact C-N 3.27Å; R848-R850 PolarHBondContact O-N 2.98Å; R850-E854 WeakPolarHBondContact O-CB 3.33Å; R850-E854 PolarHBondContact O-N 3.2Å
851R88.4Confident83.6Confident137 Ų137122 Ų12252%0.51753%0.533SS..Hα-helixtrans-76.4-27.6176-70.4168169.3169-5.9112.8R847 R848 R849 R855R847-R851 WeakPolarHBondContact O-CD 3.45Å; R847-R851 WeakPolarHBondContact O-CG 3.4Å; R848-R851 WeakPolarHBondContact O-CA 3.41Å; R848-R851 WeakPolarHBondContact O-CB 3.45Å; R848-R851 PolarHBondContact O-N 3.44Å; R849-R851 VanDerWaalsContact C-N 3.3Å; R849-R851 PolarHBondContact O-N 3.47Å; R851-R855 WeakPolarHBondContact O-CB 3.48Å; R851-R855 WeakPolarHBondContact O-CD 3.32Å; R851-R855 WeakPolarHBondContact O-CG 3.42Å; R851-R855 PolarHBondContact O-N 3.46Å
852E86.8Confident85.2Confident74 Ų74126.4 Ų126.435%0.34655%0.55SS.*Hα-helixtrans-79.3-33.8175.5-68-179.8-173.400111.2R848 R849 R855 K856R848-E852 WeakPolarHBondContact CG-OE1 3.29Å; R848-E852 IonicContact CZ-OE1 3.46Å; R848-E852 IonicContact NE-OE1 2.76Å; R848-E852 PolarHBondContact NE-OE1 2.64Å; R848-E852 IonicContact NH2-OE1 2.75Å; R848-E852 PolarHBondContact NH2-OE1 2.73Å; R848-E852 PolarHBondContact O-N 2.7Å; R849-E852 CarbonylContact O-C 3.42Å; R849-E852 PolarHBondContact O-N 3.47Å; E852-R855 PolarHBondContact O-N 2.84Å; E852-K856 VanDerWaalsContact O-CG 3.32Å; E852-K856 WeakPolarHBondContact O-CG 3.38Å; E852-K856 PolarHBondContact O-N 3.31Å
853Q82.5Confident85.8Confident101 Ų101127.6 Ų127.647%0.47255%0.55SS..Hα-helixtrans-62.3-53.8166.3-74.4165.1-4000111.1R849 R855 K856 E857R849-Q853 WeakPolarHBondContact O-CG 3.36Å; R849-Q853 PolarHBondContact O-N 3.02Å; Q853-R855 PolarHBondContact O-N 3.37Å; Q853-R855 VanDerWaalsContact O-N 3.12Å; Q853-K856 WeakPolarHBondContact O-CA 3.26Å; Q853-K856 PolarHBondContact O-N 3.43Å; Q853-E857 WeakPolarHBondContact O-CG 3.34Å; Q853-E857 PolarHBondContact O-N 3.03Å
854E89.3Confident86.7Confident113 Ų113129 Ų12953%0.52854%0.543SS..Hα-helixtrans-53.8-35.8176.8-172.5-165.4159.100112.3R850 K858R850-E854 WeakPolarHBondContact O-CB 3.33Å; R850-E854 PolarHBondContact O-N 3.2Å; E854-K858 WeakPolarHBondContact O-CB 3.39Å; E854-K858 PolarHBondContact O-N 3.12Å
855R90.3Very high87.5Confident187 Ų187124.8 Ų124.871%0.70653%0.531SS*.Hα-helixtrans-69.5-45.3173.8-77.5170.9177.4-160.8-2112.7R851 E852 Q853 K858 E859R851-R855 WeakPolarHBondContact O-CB 3.48Å; R851-R855 WeakPolarHBondContact O-CD 3.32Å; R851-R855 WeakPolarHBondContact O-CG 3.42Å; R851-R855 PolarHBondContact O-N 3.46Å; E852-R855 PolarHBondContact O-N 2.84Å; Q853-R855 PolarHBondContact O-N 3.37Å; Q853-R855 VanDerWaalsContact O-N 3.12Å; R855-K858 PolarHBondContact O-N 2.94Å; R855-E859 WeakPolarHBondContact O-CB 3.38Å; R855-E859 PolarHBondContact O-N 3.43Å
856K88.9Confident88.2Confident147 Ų147128.8 Ų128.864%0.63955%0.547SS*.Hα-helixtrans-63.8-47.4178.2-75.4173.3178.8-177.80111.5E852 Q853 K858 E859 E860E852-K856 VanDerWaalsContact O-CG 3.32Å; E852-K856 WeakPolarHBondContact O-CG 3.38Å; E852-K856 PolarHBondContact O-N 3.31Å; Q853-K856 WeakPolarHBondContact O-CA 3.26Å; Q853-K856 PolarHBondContact O-N 3.43Å; K856-K858 VanDerWaalsContact C-N 3.31Å; K856-K858 PolarHBondContact O-N 2.81Å; K856-E859 WeakPolarHBondContact O-CB 3.29Å; K856-E859 PolarHBondContact O-N 2.84Å; K856-E860 PolarHBondContact O-N 3.19Å
857E88.7Confident88.6Confident128 Ų128129.2 Ų129.260%0.59855%0.553SS**Hα-helixtrans-55.8-45.8175.3-70.5169.1-18000111.3Q853 E859 E860 E861Q853-E857 WeakPolarHBondContact O-CG 3.34Å; Q853-E857 PolarHBondContact O-N 3.03Å; E857-E859 PolarHBondContact O-N 3.29Å; E857-E860 PolarHBondContact O-N 2.97Å; E857-E861 WeakPolarHBondContact O-CB 3.39Å; E857-E861 PolarHBondContact O-N 3.46Å
858K92Very high89Confident117 Ų117127.3 Ų127.351%0.50955%0.552SS.*Hα-helixtrans-71.9-13178.1-166.2168.4-162.9156.80114.3E854 R855 K856 K862E854-K858 WeakPolarHBondContact O-CB 3.39Å; E854-K858 PolarHBondContact O-N 3.12Å; R855-K858 PolarHBondContact O-N 2.94Å; K856-K858 VanDerWaalsContact C-N 3.31Å; K856-K858 PolarHBondContact O-N 2.81Å; K858-K862 WeakPolarHBondContact O-CD 3.42Å; K858-K862 VanDerWaalsContact O-CE 3.29Å; K858-K862 WeakPolarHBondContact O-CE 3.33Å; K858-K862 VanDerWaalsContact O-CG 3.27Å; K858-K862 WeakPolarHBondContact O-CG 3.49Å
859E89.7Confident89Confident120 Ų120127.3 Ų127.356%0.56156%0.555SS**Hα-helixtrans-91.2-40.7171.5-169.1144.8-111.200110.7R855 K856 E857 K862 L863R855-E859 WeakPolarHBondContact O-CB 3.38Å; R855-E859 PolarHBondContact O-N 3.43Å; K856-E859 WeakPolarHBondContact O-CB 3.29Å; K856-E859 PolarHBondContact O-N 2.84Å; E857-E859 PolarHBondContact O-N 3.29Å; E859-K862 WeakPolarHBondContact O-CB 3.17Å; E859-K862 PolarHBondContact O-N 2.92Å; E859-L863 WeakPolarHBondContact O-CG 3.43Å; E859-L863 PolarHBondContact O-N 3.23Å
860E89.9Confident89.2Confident99 Ų99128.4 Ų128.446%0.46356%0.564SS.*Hα-helixtrans-62.8-39.8171.8-158.5-163.9137.900112.1K856 E857 K862 L863 K864K856-E860 PolarHBondContact O-N 3.19Å; E857-E860 PolarHBondContact O-N 2.97Å; E860-K862 VanDerWaalsContact C-N 3.34Å; E860-K862 PolarHBondContact O-N 3.5Å; E860-L863 PolarHBondContact O-N 2.82Å; E860-K864 HydrophobicContact CG-CD 4.43Å; E860-K864 WeakPolarHBondContact O-CB 3.31Å; E860-K864 WeakPolarHBondContact O-CG 3.4Å; E860-K864 PolarHBondContact O-N 3.39Å; E860-K864 WeakPolarHBondContact OE1-CE 3.4Å; E860-K864 IonicContact OE1-NZ 3.36Å; E860-K864 PolarHBondContact OE1-NZ 3.17Å
861E90.4Very high88.7Confident113 Ų113124 Ų12453%0.52855%0.552SS.*Hα-helixtrans-58.7-44.2173.1-166.4-148.8147.900111.2E857 L863 K864 K865E857-E861 WeakPolarHBondContact O-CB 3.39Å; E857-E861 PolarHBondContact O-N 3.46Å; E861-L863 PolarHBondContact O-N 3.19Å; E861-K864 PolarHBondContact O-N 2.84Å; E861-K865 VanDerWaalsContact O-CB 3.29Å; E861-K865 WeakPolarHBondContact O-CB 3.49Å; E861-K865 PolarHBondContact O-N 3.47Å
862K93.1Very high88.4Confident130 Ų130121.5 Ų121.557%0.56555%0.546SS*.Hα-helixtrans-64.4-39.8175.4-68.2166.9-168.4166.60111.7K858 E859 E860 K865 K866K858-K862 WeakPolarHBondContact O-CD 3.42Å; K858-K862 VanDerWaalsContact O-CE 3.29Å; K858-K862 WeakPolarHBondContact O-CE 3.33Å; K858-K862 VanDerWaalsContact O-CG 3.27Å; K858-K862 WeakPolarHBondContact O-CG 3.49Å; E859-K862 WeakPolarHBondContact O-CB 3.17Å; E859-K862 PolarHBondContact O-N 2.92Å; E860-K862 VanDerWaalsContact C-N 3.34Å; E860-K862 PolarHBondContact O-N 3.5Å; K862-K865 PolarHBondContact O-N 2.89Å; K862-K866 WeakPolarHBondContact O-CB 3.45Å; K862-K866 PolarHBondContact O-N 3.2Å
863L88.3Confident88Confident107 Ų107126.3 Ų126.356%0.5656%0.561SS**Hα-helixtrans-67.2-43.2177.6-71.5170.5000111.5E859 E860 E861 K866 K867E859-L863 WeakPolarHBondContact O-CG 3.43Å; E859-L863 PolarHBondContact O-N 3.23Å; E860-L863 PolarHBondContact O-N 2.82Å; E861-L863 PolarHBondContact O-N 3.19Å; L863-K866 PolarHBondContact O-N 2.92Å; L863-K867 WeakPolarHBondContact O-CB 3.47Å; L863-K867 PolarHBondContact O-N 3.3Å
864K89.9Confident87.6Confident129 Ų129127 Ų12756%0.56156%0.564SS**Hα-helixtrans-56.9-50.6171.5-79.2165.5164165.60111E860 E861 K866 K867 E868E860-K864 HydrophobicContact CG-CD 4.43Å; E860-K864 WeakPolarHBondContact O-CB 3.31Å; E860-K864 WeakPolarHBondContact O-CG 3.4Å; E860-K864 PolarHBondContact O-N 3.39Å; E860-K864 WeakPolarHBondContact OE1-CE 3.4Å; E860-K864 IonicContact OE1-NZ 3.36Å; E860-K864 PolarHBondContact OE1-NZ 3.17Å; E861-K864 PolarHBondContact O-N 2.84Å; K864-K866 VanDerWaalsContact C-N 3.33Å; K864-K866 PolarHBondContact O-N 3.11Å; K864-K867 PolarHBondContact O-N 3.37Å; K864-E868 WeakPolarHBondContact O-CB 3.49Å; K864-E868 PolarHBondContact O-N 2.84Å
865K91.9Very high86.9Confident133 Ų133130.2 Ų130.258%0.57857%0.571SS**Hα-helixtrans-65.3-30.6178.1-163.8165.5-165.7156.60113.7E861 K862 K869E861-K865 VanDerWaalsContact O-CB 3.29Å; E861-K865 WeakPolarHBondContact O-CB 3.49Å; E861-K865 PolarHBondContact O-N 3.47Å; K862-K865 PolarHBondContact O-N 2.89Å; K865-K869 VanDerWaalsContact O-CB 3.32Å; K865-K869 WeakPolarHBondContact O-CB 3.21Å; K865-K869 PolarHBondContact O-N 2.94Å
866K92.8Very high85.8Confident139 Ų139129.8 Ų129.860%0.60457%0.57SS**Hα-helixtrans-67.1-49.9170.6-175.9-172.9173.4-168.80110.6K862 L863 K864 E868 K869 E870K862-K866 WeakPolarHBondContact O-CB 3.45Å; K862-K866 PolarHBondContact O-N 3.2Å; L863-K866 PolarHBondContact O-N 2.92Å; K864-K866 VanDerWaalsContact C-N 3.33Å; K864-K866 PolarHBondContact O-N 3.11Å; K866-E868 PolarHBondContact O-N 2.93Å; K866-K869 PolarHBondContact O-N 2.62Å; K866-E870 WeakPolarHBondContact O-CB 3.16Å; K866-E870 PolarHBondContact O-N 3.49Å
867K89.3Confident84.8Confident158 Ų158129.4 Ų129.469%0.68757%0.568SS**Hα-helixtrans-63.8-38.4180-171.6175.7-177.8177.80112.4L863 K864 E870 Q871L863-K867 WeakPolarHBondContact O-CB 3.47Å; L863-K867 PolarHBondContact O-N 3.3Å; K864-K867 PolarHBondContact O-N 3.37Å; K867-E870 PolarHBondContact O-N 2.76Å; K867-Q871 WeakPolarHBondContact O-CB 3.37Å; K867-Q871 PolarHBondContact O-N 2.93Å
868E89.1Confident82.9Confident129 Ų129128.5 Ų128.560%0.60357%0.574SS**Hα-helixtrans-60.8-51.1172.6179.8-179.4-146.500111.6K864 K866 E870 Q871 E872K864-E868 WeakPolarHBondContact O-CB 3.49Å; K864-E868 PolarHBondContact O-N 2.84Å; K866-E868 PolarHBondContact O-N 2.93Å; E868-E870 PolarHBondContact O-N 3.31Å; E868-Q871 PolarHBondContact O-N 3.02Å; E868-E872 PolarHBondContact O-N 3.03Å
869K88.1Confident81Confident125 Ų125131.5 Ų131.554%0.54359%0.589SS.*Hα-helixtrans-63.7-28.4176.9-174.8172.5-177.2173.50113.2K865 K866 R873K865-K869 VanDerWaalsContact O-CB 3.32Å; K865-K869 WeakPolarHBondContact O-CB 3.21Å; K865-K869 PolarHBondContact O-N 2.94Å; K866-K869 PolarHBondContact O-N 2.62Å; K869-R873 WeakPolarHBondContact O-CD 3.29Å; K869-R873 VanDerWaalsContact O-CG 3.26Å; K869-R873 WeakPolarHBondContact O-CG 3.47Å; K869-R873 PolarHBondContact O-N 2.79Å; K869-R873 VanDerWaalsContact O-N 3.11Å
870E85.1Confident79Confident119 Ų119132.1 Ų132.156%0.55660%0.601SS**Hα-helixtrans-73.2-45.1173.7-173.7157.6-146.800111.4K866 K867 E868 E872 R873 E874K866-E870 WeakPolarHBondContact O-CB 3.16Å; K866-E870 PolarHBondContact O-N 3.49Å; K867-E870 PolarHBondContact O-N 2.76Å; E868-E870 PolarHBondContact O-N 3.31Å; E870-E872 VanDerWaalsContact C-N 3.32Å; E870-E872 PolarHBondContact O-N 2.93Å; E870-R873 WeakPolarHBondContact O-CB 3.33Å; E870-R873 PolarHBondContact O-N 3.11Å; E870-E874 PolarHBondContact O-N 3Å
871Q77.8Confident76.6Confident99 Ų99138 Ų13846%0.46362%0.619SS.*Hα-helixtrans-64.3-34.6172.8-165.5-17770.100112.3K867 E868 E874 R875K867-Q871 WeakPolarHBondContact O-CB 3.37Å; K867-Q871 PolarHBondContact O-N 2.93Å; E868-Q871 PolarHBondContact O-N 3.02Å; Q871-E874 PolarHBondContact O-N 3.47Å; Q871-R875 WeakPolarHBondContact O-CG 3.47Å; Q871-R875 PolarHBondContact O-N 3Å; Q871-R875 VanDerWaalsContact OE1-CZ 3.26Å
872E82.8Confident74.6Confident85 Ų85136 Ų13640%0.39763%0.629SS.*Hα-helixtrans-67.2-39173.2-163.6-162.6-176.400111.9E868 E870 E874 R875 R876E868-E872 PolarHBondContact O-N 3.03Å; E870-E872 VanDerWaalsContact C-N 3.32Å; E870-E872 PolarHBondContact O-N 2.93Å; E872-E874 VanDerWaalsContact C-N 3.32Å; E872-R875 PolarHBondContact O-N 3.5Å; E872-R876 VanDerWaalsContact O-CG 3.29Å; E872-R876 WeakPolarHBondContact O-CG 3.27Å; E872-R876 PolarHBondContact O-N 3.03Å; E872-R876 IonicContact OE1-CZ 3.53Å; E872-R876 IonicContact OE1-NE 2.65Å; E872-R876 PolarHBondContact OE1-NE 3.25Å; E872-R876 IonicContact OE1-NH1 2.66Å; E872-R876 IonicContact OE1-NH2 2.76Å; E872-R876 PolarHBondContact OE1-NH2 3.16Å
873R77.4Confident72.3Confident175 Ų175139 Ų13966%0.6664%0.642SS**Hα-helixtrans-63.7-38.8172.3-78.7167.4161.9-162.3-8.4111.9K869 E870 R876 K877K869-R873 WeakPolarHBondContact O-CD 3.29Å; K869-R873 VanDerWaalsContact O-CG 3.26Å; K869-R873 WeakPolarHBondContact O-CG 3.47Å; K869-R873 PolarHBondContact O-N 2.79Å; K869-R873 VanDerWaalsContact O-N 3.11Å; E870-R873 WeakPolarHBondContact O-CB 3.33Å; E870-R873 PolarHBondContact O-N 3.11Å; R873-R876 PolarHBondContact O-N 3.19Å; R873-R876 VanDerWaalsContact O-N 3.17Å; R873-K877 PolarHBondContact O-N 3.32Å
874E75.1Confident70.3Confident116 Ų116139.6 Ų139.654%0.54266%0.655SS.*Hα-helixtrans-64.5-46.5176.1-176.8144.9-100.400112.4E870 Q871 E872 R876 K877E870-E874 PolarHBondContact O-N 3Å; Q871-E874 PolarHBondContact O-N 3.47Å; E872-E874 VanDerWaalsContact C-N 3.32Å; E874-R876 PolarHBondContact O-N 3.06Å; E874-K877 HydrophobicContact CG-CD 4.48Å; E874-K877 PolarHBondContact O-N 3.35Å; E874-K877 VanDerWaalsContact O-N 3.1Å; E874-K877 IonicContact OE1-NZ 3.16Å; E874-K877 PolarHBondContact OE1-NZ 3.46Å
875R73.6Confident67.6Low179 Ų179143 Ų14368%0.67567%0.67SS**THydrogen-bonded Turntrans-59.4-14171.7-72.9179.8178.5115.35.2114.3Q871 E872Q871-R875 WeakPolarHBondContact O-CG 3.47Å; Q871-R875 PolarHBondContact O-N 3Å; Q871-R875 VanDerWaalsContact OE1-CZ 3.26Å; E872-R875 PolarHBondContact O-N 3.5Å
876R68.2Low65.3Low179 Ų179146.1 Ų146.168%0.67569%0.687SS**THydrogen-bonded Turntrans-104.15179.3-70.4174.8-180-159.21.7114E872 R873 E874 P878E872-R876 VanDerWaalsContact O-CG 3.29Å; E872-R876 WeakPolarHBondContact O-CG 3.27Å; E872-R876 PolarHBondContact O-N 3.03Å; E872-R876 IonicContact OE1-CZ 3.53Å; E872-R876 IonicContact OE1-NE 2.65Å; E872-R876 PolarHBondContact OE1-NE 3.25Å; E872-R876 IonicContact OE1-NH1 2.66Å; E872-R876 IonicContact OE1-NH2 2.76Å; E872-R876 PolarHBondContact OE1-NH2 3.16Å; R873-R876 PolarHBondContact O-N 3.19Å; R873-R876 VanDerWaalsContact O-N 3.17Å; E874-R876 PolarHBondContact O-N 3.06Å; R876-P878 WeakPolarHBondContact O-CD 3.28Å
877K66.9Low62.5Low139 Ų139142.9 Ų142.960%0.60469%0.693SS**SBendtrans-73.7116.2170.4-66.3171-176.7166.50109.2R873 E874R873-K877 PolarHBondContact O-N 3.32Å; E874-K877 HydrophobicContact CG-CD 4.48Å; E874-K877 PolarHBondContact O-N 3.35Å; E874-K877 VanDerWaalsContact O-N 3.1Å; E874-K877 IonicContact OE1-NZ 3.16Å; E874-K877 PolarHBondContact OE1-NZ 3.46Å
878P49.3Very low59.8Low109 Ų109145 Ų14571%0.70871%0.705SS**  trans-69.1136176.428.6-33.8000110.6R876 T880R876-P878 WeakPolarHBondContact O-CD 3.28Å; P878-T880 PolarHBondContact O-N 3Å
879Q52.1Low57.5Low180 Ų180148.6 Ų148.684%0.84172%0.719SS**  trans-77.285.4-179.7-171.6-179.79.900110.8R881Q879-R881 PolarHBondContact O-N 2.66Å
880T48.3Very low54.9Low133 Ų133151.9 Ų151.982%0.81674%0.736SS**  trans-71.965.8174.643.60000112P878 G882P878-T880 PolarHBondContact O-N 3Å; T880-G882 PolarHBondContact O-N 2.65Å
881R39Very low52.8Low222 Ų222155.4 Ų155.484%0.83875%0.749SS**  trans-65.3102.9170.5-176.6176.7-177.1169.51.5108.7Q879Q879-R881 PolarHBondContact O-N 2.66Å
882G48.8Very low50.5Low70 Ų70157.1 Ų157.172%0.72277%0.766SS**  trans-58.8141.2-172.200000114.2T880T880-G882 PolarHBondContact O-N 2.65Å
883K45Very low48.2Very low194 Ų194157.3 Ų157.384%0.84378%0.777SS**  trans-132.4102155.3-90.2-174.8172.7-178.30107.8F885K883-F885 PolarHBondContact O-N 3Å
884S45.5Very low46.1Very low120 Ų120156.1 Ų156.184%0.83978%0.784SS**  trans-63.8124.9157.641.50000107.9
885F33.7Very low44Very low200 Ų200157.7 Ų157.788%0.87780%0.796SS**  trans-132.4128.8162.5-128.8-93.6000109.4K883K883-F885 PolarHBondContact O-N 3Å
886Q44.3Very low42.1Very low199 Ų199155.3 Ų155.393%0.9380%0.801SS**  trans-11698.1-169.6-174.7173.7-2.400106.2
887G32.3Very low40.5Very low71 Ų71151 Ų15173%0.73280%0.804SS**  trans-125.8142.5-173.900000111.1
888Q33.3Very low38.9Very low201 Ų201151.6 Ų151.694%0.93981%0.814SS**  trans-76.3164.1-160.5-70171.6-102.200115.3
889K41.5Very low38.9Very low206 Ų206152 Ų15290%0.89682%0.817SS**  trans-77.6145.4164.6-54.7168.6-179.3173.30109.9
890E32.2Very low38Very low193 Ų193147 Ų14790%0.90281%0.806SS**  trans-144.8162.5145.9-164.6138.3-138.700109.7
891K41.1Very low37.5Very low193 Ų193149.8 Ų149.884%0.83981%0.806SS**  trans-144.8113.9-173-85.9-168.6167.7-160.10112.3
892V30.9Very low37.1Very low135 Ų135145.1 Ų145.182%0.81880%0.803SS**  trans-155.8118.2151.9-160.20000104.1
893S33.2Very low36.3Very low89 Ų89148.1 Ų148.162%0.62280%0.802SS**  cis78.6141.146.6-69.50000114.4
894D33.5Very low35.8Very low151 Ų151143 Ų14381%0.80779%0.791SS**  cis-170.5150.4-20.1-87.1-38.6000104.3
895D32.2Very low35.2Very low149 Ų149144.7 Ų144.780%0.79779%0.786SS**  cis-158.4-162.71.917530.5000107.1
896V33.5Very low35.3Very low129 Ų129142 Ų14278%0.78278%0.779SS**  trans83.7119.6170.6-170.50000114.4
897A34.3Very low34.7Very low88 Ų88138.5 Ų138.573%0.72777%0.771SS**  cis-144.8170.34.700000113.6
898N32.8Very low34.7Very low152 Ų152146 Ų14681%0.81378%0.778SS**  trans-127169.4169-106.7-64.7000108.6
899P50.3Low35Very low118 Ų118144.4 Ų144.477%0.76678%0.775SS**  cis-124.9-174.420.443.6-26.4000113.1
900A32.8Very low34.7Very low74 Ų74140.4 Ų140.461%0.61277%0.773SS**  cis-160.3151.825.200000116.8
901K36.2Very low35.1Very low191 Ų191138.1 Ų138.183%0.8377%0.772SS**  trans63.194.5143.4-70.9175.1-178.5179.90120
902T32.1Very low34.7Very low124 Ų124134.2 Ų134.276%0.76177%0.769SS**  -6.9155.2114.848.70000118.2
903D30.6Very low34.8Very low134 Ų134138.1 Ų138.172%0.71777%0.771SS**  cis-154.7179.917.9-138-56.9000114.6
904S35.9Very low35Very low87 Ų87138.7 Ų138.761%0.60878%0.78SS**  trans-61174.4167.461.20000114
905Q32.4Very low35.1Very low155 Ų155140.7 Ų140.772%0.72479%0.785SS**  cis-157.4154.935.3-69.4-173.5-10.700115.3
906I36Very low35.5Very low143 Ų143138.4 Ų138.473%0.73378%0.781SS**  trans30.4122131-49.8166.9000119.6
907T32.2Very low35.6Very low125 Ų125142.8 Ų142.877%0.76779%0.785SS**  trans-156.5117137.6-4.50000117.2
908R32.5Very low35.7Very low230 Ų230151.9 Ų151.987%0.86881%0.808SS**  trans29.5128.4139.9-65.7-177.6164.8105.71.2122.6
909N39.3Very low35.8Very low167 Ų167151.9 Ų151.989%0.89381%0.808SS**  trans-59.4151163-52-7.2000114.8
910S35.4Very low35.1Very low122 Ų122153.7 Ų153.785%0.85381%0.81SS**  trans-149.8145.8144.261.70000111.3
911V39.3Very low35.2Very low145 Ų145158.1 Ų158.188%0.87982%0.822SS**  trans-107.3141.6-178.6174.40000109.8
912S32.6Very low35.1Very low110 Ų110156.2 Ų156.277%0.76982%0.821SS**  trans-152.3106.9168.6-1740000107.3
913Y33.6Very low35.3Very low218 Ų218158.2 Ų158.286%0.85583%0.825SS**  70.790.979.9-157.6-68.9000112.2
914A37.8Very low35.6Very low100 Ų100159.8 Ų159.883%0.82683%0.832SS**  trans-166.288.3163.900000109.5
915E34.1Very low35.6Very low193 Ų193165 Ų16590%0.90285%0.848SS**  trans-122.591.2170.5-173.8172.3-14600107.6
916S41.9Very low35.9Very low101 Ų101165.8 Ų165.871%0.70686%0.857SS**  trans-154.8124.7177.4-73.20000108.2
917Y34.8Very low35.8Very low221 Ų221167.7 Ų167.787%0.86787%0.868SS**  trans60.293.7-172-52.8-87.4000112.1
918F36.5Very low36.2Very low280 Ų280171.5 Ų171.5100%1.22888%0.877SS**  -150.4065.7-98.7-85.8000113.7

Retrieved 918 of 918 residues in 177.5 ms (Link to these results)

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