A0A5K4FEA2_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FEA2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 208 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
1M75.2Confident89.4Confident183 Ų18377.1 Ų77.190%0.90139%0.386SS*.  0146.60-71.7172176.700108.1
2N85.7Confident89.7Confident50 Ų5073.5 Ų73.527%0.26737%0.369SS..  trans-68.3142.8179.4-169.5-4.3000111.4L4 C5 K112 C113N2-L4 PolarHBondContact O-N 3.28Å; N2-L4 PolarHBondContact OD1-N 2.9Å; N2-C5 WeakPolarHBondContact O-CB 3.43Å; N2-C5 PolarHBondContact O-N 3.4Å; N2-C5 VanDerWaalsContact O-N 3.11Å; N2-K112 VanDerWaalsContact CB-O 3.31Å; N2-K112 WeakPolarHBondContact CB-O 3.34Å; N2-K112 PolarHBondContact ND2-O 3.33Å; N2-C113 WeakPolarHBondContact CB-O 3.33Å; N2-C113 PolarHBondContact N-O 3.22Å
3E87.5Confident89.9Confident116 Ų11670.4 Ų70.454%0.54235%0.354SS..THydrogen-bonded Turntrans-68.8-21.4175.8-63.9-161.7144.400112.6C5 K10 H11E3-C5 PolarHBondContact O-N 3.23Å; E3-K10 IonicContact OE1-NZ 2.69Å; E3-K10 PolarHBondContact OE1-NZ 3.2Å; E3-H11 PolarHBondContact O-NE2 3.11Å
4L89.5Confident90.1Very high130 Ų13073.6 Ų73.668%0.68136%0.361SS*.THydrogen-bonded Turntrans-74-10.1172.8-67.3161.6000113.2N2N2-L4 PolarHBondContact O-N 3.28Å; N2-L4 PolarHBondContact OD1-N 2.9Å
5C93.3Very high90.2Very high4 Ų469.5 Ų69.53%0.02734%0.344CS..  trans-69.2125.9177.9-176.30000110.4N2 E3 F7 H8 H11 C113N2-C5 WeakPolarHBondContact O-CB 3.43Å; N2-C5 PolarHBondContact O-N 3.4Å; N2-C5 VanDerWaalsContact O-N 3.11Å; E3-C5 PolarHBondContact O-N 3.23Å; C5-F7 PolarHBondContact O-N 2.92Å; C5-H8 HydrophobicContact CB-CB 4.33Å; C5-H8 VanDerWaalsContact O-CB 3.25Å; C5-H8 WeakPolarHBondContact O-CB 3.43Å; C5-H8 PolarHBondContact O-N 2.9Å; C5-H11 PolarHBondContact O-CD2 3.2Å; C5-H11 VanDerWaalsContact O-CD2 3.24Å; C5-C113 VanDerWaalsContact CA-SG 3.6Å; C5-C113 HydrophobicContact CB-CB 3.77Å; C5-C113 WeakPolarHBondContact CB-SG 3.49Å; C5-C113 WeakPolarHBondContact SG-CB 3.35Å; C5-C113 CovalentContact SG-SG 2.03Å; C5-C113 PolarHBondContact SG-SG 3.19Å
6P92.7Very high90.2Very high13 Ų1368.1 Ų68.18%0.08434%0.337CS..THydrogen-bonded Turntrans-63.1-24.8176.825.1-33.8000113.3H8 I63 I109P6-H8 VanDerWaalsContact C-N 3.27Å; P6-H8 PolarHBondContact O-N 2.86Å; P6-I63 VanDerWaalsContact CA-CD1 3.44Å; P6-I63 HydrophobicContact CB-CD1 3.57Å; P6-I63 VanDerWaalsContact O-CD1 3.3Å; P6-I63 WeakPolarHBondContact O-CD1 3.07Å; P6-I109 HydrophobicContact CG-CB 4.44Å; P6-I109 HydrophobicContact CG-CG1 4.1Å; P6-I109 HydrophobicContact CG-CG2 3.68Å
7F92.7Very high90.4Very high61 Ų6165.5 Ų65.527%0.26832%0.324SS..THydrogen-bonded Turntrans-87.49.5177-53.9-41.4000113.8C5 L65 Y68 L71 L72 I109C5-F7 PolarHBondContact O-N 2.92Å; F7-L65 HydrophobicContact CD1-CD2 3.63Å; F7-L65 HydrophobicContact CE1-CD2 4.17Å; F7-Y68 AromaticContact CE1-CD1 3.94Å; F7-Y68 HydrophobicContact CE1-CD1 3.94Å; F7-Y68 AromaticContact CE1-CD2 3.91Å; F7-Y68 HydrophobicContact CE1-CD2 3.91Å; F7-Y68 HydrophobicContact CE1-CE1 4.45Å; F7-Y68 HydrophobicContact CE1-CE2 4.43Å; F7-Y68 AromaticContact CE1-CG 3.63Å; F7-Y68 HydrophobicContact CE1-CG 3.63Å; F7-Y68 AromaticContact CZ-CD1 3.98Å; F7-Y68 HydrophobicContact CZ-CD1 3.98Å; F7-Y68 HydrophobicContact CZ-CG 4.04Å; F7-L71 HydrophobicContact CE2-CD2 4.46Å; F7-L71 HydrophobicContact CZ-CD2 4.2Å; F7-L72 HydrophobicContact CZ-CD2 4.45Å; F7-I109 HydrophobicContact CD2-CG2 3.93Å; F7-I109 HydrophobicContact CE2-CG2 3.46Å; F7-I109 VanDerWaalsContact CE2-CG2 3.46Å; F7-I109 HydrophobicContact CZ-CG2 4.07Å
8H92.8Very high90.5Very high30 Ų3067.7 Ų67.714%0.13933%0.333CS..  trans-65.2132.9174.7-168-86.7000109.9C5 P6 K10 H11C5-H8 HydrophobicContact CB-CB 4.33Å; C5-H8 VanDerWaalsContact O-CB 3.25Å; C5-H8 WeakPolarHBondContact O-CB 3.43Å; C5-H8 PolarHBondContact O-N 2.9Å; P6-H8 VanDerWaalsContact C-N 3.27Å; P6-H8 PolarHBondContact O-N 2.86Å; H8-K10 WeakPolarHBondContact ND1-CB 3.44Å; H8-K10 PolarHBondContact ND1-N 3.14Å; H8-K10 PolarHBondContact O-N 2.78Å; H8-H11 PolarHBondContact O-N 3.03Å
9P90.5Very high90.5Very high88 Ų8871.1 Ų71.157%0.57135%0.348SS*.THydrogen-bonded Turntrans-55.7-23.3-176.2-28.834.8000115.2H11P9-H11 PolarHBondContact O-N 3.11Å
10K90.3Very high90.6Very high122 Ų12268.1 Ų68.153%0.5333%0.334SS..THydrogen-bonded Turntrans-65.9-22.5174.8-70.4178-177.7178.10113.3E3 H8 R61E3-K10 IonicContact OE1-NZ 2.69Å; E3-K10 PolarHBondContact OE1-NZ 3.2Å; H8-K10 WeakPolarHBondContact ND1-CB 3.44Å; H8-K10 PolarHBondContact ND1-N 3.14Å; H8-K10 PolarHBondContact O-N 2.78Å; K10-R61 WeakPolarHBondContact O-CD 3.27Å; K10-R61 WeakPolarHBondContact O-CG 3.35Å; K10-R61 PolarHBondContact O-NE 3.33Å
11H92.9Very high90.8Very high51 Ų5166 Ų6624%0.23632%0.323CS..THydrogen-bonded Turntrans-98.6-12.7-174.4-56.6-45.3000113.9E3 C5 H8 P9 I13 T62 I63E3-H11 PolarHBondContact O-NE2 3.11Å; C5-H11 PolarHBondContact O-CD2 3.2Å; C5-H11 VanDerWaalsContact O-CD2 3.24Å; H8-H11 PolarHBondContact O-N 3.03Å; P9-H11 PolarHBondContact O-N 3.11Å; H11-I13 PolarHBondContact O-N 3.07Å; H11-T62 PolarHBondContact O-N 3.08Å; H11-I63 HydrophobicContact CB-CB 4.07Å; H11-I63 HydrophobicContact CB-CD1 3.75Å; H11-I63 HydrophobicContact CB-CG1 3.97Å; H11-I63 WeakPolarHBondContact O-CA 3.29Å; H11-I63 WeakPolarHBondContact O-CB 3.42Å; H11-I63 PolarHBondContact O-N 3.32Å
12D93.2Very high91.8Very high34 Ų3459.8 Ų59.818%0.18229%0.293CS..BIsolated β-bridgetrans-72.9109.2-179.3176.57.3000111.6Y14 A15 R61 I63 L65D12-Y14 PolarHBondContact O-N 2.76Å; D12-Y14 PolarHBondContact OD1-N 3.18Å; D12-A15 HydrophobicContact CB-CB 4.17Å; D12-A15 VanDerWaalsContact O-CB 3.27Å; D12-A15 WeakPolarHBondContact O-CB 3.09Å; D12-A15 PolarHBondContact O-N 3.34Å; D12-A15 VanDerWaalsContact O-N 3.12Å; D12-R61 WeakPolarHBondContact O-CD 3.02Å; D12-I63 WeakPolarHBondContact CA-O 3.02Å; D12-L65 HydrophobicContact CB-CD1 4.48Å
13I92.9Very high92.3Very high33 Ų3362.5 Ų62.517%0.16930%0.303CS..THydrogen-bonded Turntrans-58.2-32.2-178.763175.6000113H11 Y57 S58 R61 I63 C64H11-I13 PolarHBondContact O-N 3.07Å; I13-Y57 VanDerWaalsContact O-CA 3.28Å; I13-Y57 WeakPolarHBondContact O-CA 3.44Å; I13-S58 PolarHBondContact O-N 3.18Å; I13-R61 HydrophobicContact CB-CB 4.48Å; I13-R61 HydrophobicContact CG2-CB 3.85Å; I13-R61 WeakPolarHBondContact CG2-O 2.99Å; I13-I63 PolarHBondContact N-O 3.18Å; I13-C64 HydrophobicContact CD1-CB 3.65Å; I13-C64 HydrophobicContact CG1-CB 4.23Å
14Y92.6Very high92.6Very high115 Ų11560.9 Ų60.945%0.45130%0.296SS..THydrogen-bonded Turntrans-94.89.4-177.5-70.2-65.1000113.3D12 I16 H17 E18D12-Y14 PolarHBondContact O-N 2.76Å; D12-Y14 PolarHBondContact OD1-N 3.18Å; Y14-I16 PolarHBondContact O-N 2.96Å; Y14-I16 VanDerWaalsContact O-N 3.14Å; Y14-H17 HydrophobicContact CD1-CB 4.22Å; Y14-H17 WeakPolarHBondContact O-CB 3.34Å; Y14-H17 PolarHBondContact O-N 2.65Å; Y14-H17 VanDerWaalsContact O-N 3.08Å; Y14-E18 PolarHBondContact O-N 3.43Å
15A91.5Very high92.8Very high13 Ų1357.2 Ų57.211%0.10728%0.282CS..Hα-helixtrans-56.9-32.4177.200000113.3D12 Q19D12-A15 HydrophobicContact CB-CB 4.17Å; D12-A15 VanDerWaalsContact O-CB 3.27Å; D12-A15 WeakPolarHBondContact O-CB 3.09Å; D12-A15 PolarHBondContact O-N 3.34Å; D12-A15 VanDerWaalsContact O-N 3.12Å; A15-Q19 WeakPolarHBondContact O-CG 3.47Å; A15-Q19 PolarHBondContact O-N 2.99Å; A15-Q19 VanDerWaalsContact O-N 3.14Å
16I89.9Confident92.7Very high47 Ų4762.2 Ų62.224%0.24131%0.308CS..Hα-helixtrans-75.1-41.8177.3-63.7161000110.6Y14 E18 Q19 M20 N55 R61Y14-I16 PolarHBondContact O-N 2.96Å; Y14-I16 VanDerWaalsContact O-N 3.14Å; I16-E18 VanDerWaalsContact C-N 3.29Å; I16-E18 PolarHBondContact O-N 3.47Å; I16-Q19 PolarHBondContact O-N 3.25Å; I16-M20 HydrophobicContact CG2-CE 4.25Å; I16-M20 WeakPolarHBondContact O-CG 3.16Å; I16-M20 PolarHBondContact O-N 2.85Å; I16-M20 VanDerWaalsContact O-N 3.07Å; I16-N55 WeakPolarHBondContact CG2-O 3.43Å; I16-R61 VanDerWaalsContact CD1-NH1 3.32Å
17H93Very high92.8Very high24 Ų2468.4 Ų68.411%0.11133%0.331CS..Hα-helixtrans-51.4-50.3172.3-174.6122000111.3Y14 Q19 M20 F44 D45 I48 A56Y14-H17 HydrophobicContact CD1-CB 4.22Å; Y14-H17 WeakPolarHBondContact O-CB 3.34Å; Y14-H17 PolarHBondContact O-N 2.65Å; Y14-H17 VanDerWaalsContact O-N 3.08Å; H17-Q19 PolarHBondContact O-N 3.28Å; H17-M20 WeakPolarHBondContact O-CB 3.28Å; H17-M20 PolarHBondContact O-N 3.16Å; H17-F44 AromaticContact NE2-CE1 3.78Å; H17-D45 IonicContact CD2-OD1 3.84Å; H17-D45 IonicContact CE1-OD1 3.54Å; H17-D45 IonicContact NE2-OD1 2.74Å; H17-D45 PolarHBondContact NE2-OD1 3.43Å; H17-I48 WeakPolarHBondContact ND1-CG2 3.48Å; H17-A56 WeakPolarHBondContact CB-O 3.28Å; H17-A56 PolarHBondContact N-O 3.11Å
18E92.2Very high93Very high105 Ų10566.9 Ų66.949%0.49133%0.326SS..Hα-helixtrans-67.8-35.8-178.5-165.458.9-154.700112.3Y14 I16 M20 K21Y14-E18 PolarHBondContact O-N 3.43Å; I16-E18 VanDerWaalsContact C-N 3.29Å; I16-E18 PolarHBondContact O-N 3.47Å; E18-M20 PolarHBondContact O-N 3.47Å; E18-K21 VanDerWaalsContact O-CB 3.27Å; E18-K21 WeakPolarHBondContact O-CB 2.88Å; E18-K21 PolarHBondContact O-N 3.26Å; E18-K21 VanDerWaalsContact O-N 3.08Å; E18-K21 IonicContact OE1-NZ 2.69Å; E18-K21 WeakPolarHBondContact OE2-CE 3.15Å; E18-K21 IonicContact OE2-NZ 3.62Å; E18-K21 PolarHBondContact OE2-NZ 2.98Å
19Q91.6Very high93.2Very high131 Ų13166.5 Ų66.561%0.61232%0.323SS*.Hα-helixtrans-64.1-27.7173.9-76170.212.600113.3A15 I16 H17 K21 Q32A15-Q19 WeakPolarHBondContact O-CG 3.47Å; A15-Q19 PolarHBondContact O-N 2.99Å; A15-Q19 VanDerWaalsContact O-N 3.14Å; I16-Q19 PolarHBondContact O-N 3.25Å; H17-Q19 PolarHBondContact O-N 3.28Å; Q19-K21 PolarHBondContact O-N 3.5Å; Q19-Q32 PolarHBondContact O-OE1 3.12Å
20M92.2Very high93.5Very high12 Ų1264.9 Ų64.96%0.05931%0.308CS..THydrogen-bonded Turntrans-77.2-9.6175.8-68.2-174.9-71.200113.4I16 H17 E18 Q32 M33 I48I16-M20 HydrophobicContact CG2-CE 4.25Å; I16-M20 WeakPolarHBondContact O-CG 3.16Å; I16-M20 PolarHBondContact O-N 2.85Å; I16-M20 VanDerWaalsContact O-N 3.07Å; H17-M20 WeakPolarHBondContact O-CB 3.28Å; H17-M20 PolarHBondContact O-N 3.16Å; E18-M20 PolarHBondContact O-N 3.47Å; M20-Q32 PolarHBondContact O-N 3.21Å; M20-M33 HydrophobicContact CG-CE 4.31Å; M20-M33 HydrophobicContact SD-CB 3.96Å; M20-M33 HydrophobicContact SD-CE 3.18Å; M20-M33 WeakPolarHBondContact SD-CE 3.18Å; M20-M33 HydrophobicContact SD-CG 4.49Å; M20-M33 HydrophobicContact SD-SD 3.85Å; M20-I48 HydrophobicContact CE-CD1 4.24Å; M20-I48 HydrophobicContact CE-CG2 3.96Å; M20-I48 HydrophobicContact SD-CD1 4.48Å
21K95Very high93.8Very high25 Ų2559.1 Ų59.111%0.10928%0.283CS..EExtended strand (participates in β ladder)trans-88.1120.4-176.4-167.9-179.1-66.9169.60110.1E18 Q19 W29 E41 F44 D45E18-K21 VanDerWaalsContact O-CB 3.27Å; E18-K21 WeakPolarHBondContact O-CB 2.88Å; E18-K21 PolarHBondContact O-N 3.26Å; E18-K21 VanDerWaalsContact O-N 3.08Å; E18-K21 IonicContact OE1-NZ 2.69Å; E18-K21 WeakPolarHBondContact OE2-CE 3.15Å; E18-K21 IonicContact OE2-NZ 3.62Å; E18-K21 PolarHBondContact OE2-NZ 2.98Å; Q19-K21 PolarHBondContact O-N 3.5Å; K21-W29 HydrophobicContact CD-CE3 3.98Å; K21-W29 HydrophobicContact CD-CZ3 3.73Å; K21-W29 HydrophobicContact CG-CE3 3.92Å; K21-W29 HydrophobicContact CG-CZ3 4.12Å; K21-E41 HydrophobicContact CD-CG 4.37Å; K21-E41 IonicContact NZ-OE1 3.78Å; K21-E41 PolarHBondContact NZ-OE1 3.34Å; K21-F44 HydrophobicContact CB-CE1 3.8Å; K21-F44 HydrophobicContact CB-CZ 3.7Å; K21-F44 HydrophobicContact CD-CD1 4.46Å; K21-F44 HydrophobicContact CD-CE1 4.2Å; K21-F44 VanDerWaalsContact CE-CE1 3.49Å; K21-F44 HydrophobicContact CG-CD1 4.17Å; K21-F44 HydrophobicContact CG-CE1 3.76Å; K21-F44 HydrophobicContact CG-CZ 3.96Å; K21-D45 IonicContact NZ-OD1 2.74Å
22N95.8Very high93.9Very high51 Ų5162.4 Ų62.427%0.27330%0.298SS..EExtended strand (participates in β ladder)trans-113.4103.9171.5-176.131.9000109.8I24 W29 E30 Q32N22-I24 PolarHBondContact O-N 2.99Å; N22-W29 WeakPolarHBondContact O-CA 3.29Å; N22-E30 HydrophobicContact CB-CB 4.07Å; N22-E30 WeakPolarHBondContact CB-O 3.43Å; N22-E30 PolarHBondContact N-O 3.14Å; N22-E30 PolarHBondContact ND2-OE2 3.14Å; N22-E30 PolarHBondContact O-N 3.38Å; N22-Q32 HydrophobicContact CB-CG 3.82Å
23K95.8Very high93.9Very high108 Ų10864.4 Ų64.447%0.4731%0.308SS..EExtended strand (participates in β ladder)trans-85.1103.1174.2-170.3-173.6-177.5-174.50109.7S25 D26 W29K23-S25 WeakPolarHBondContact CE-O 3.39Å; K23-S25 WeakPolarHBondContact CG-O 3.47Å; K23-D26 WeakPolarHBondContact CE-OD1 3.49Å; K23-D26 IonicContact NZ-OD1 2.99Å; K23-D26 PolarHBondContact NZ-OD1 3.16Å; K23-W29 HydrophobicContact CB-CE3 3.8Å; K23-W29 HydrophobicContact CB-CH2 4.19Å; K23-W29 HydrophobicContact CB-CZ3 3.6Å; K23-W29 HydrophobicContact CD-CH2 3.43Å; K23-W29 VanDerWaalsContact CD-CH2 3.43Å; K23-W29 HydrophobicContact CD-CZ2 3.83Å; K23-W29 HydrophobicContact CD-CZ3 3.79Å; K23-W29 HydrophobicContact CG-CD2 4.19Å; K23-W29 HydrophobicContact CG-CE3 3.87Å; K23-W29 HydrophobicContact CG-CH2 3.69Å; K23-W29 HydrophobicContact CG-CZ2 3.95Å; K23-W29 HydrophobicContact CG-CZ3 3.61Å
24I94.8Very high94Very high81 Ų8165.6 Ų65.642%0.41532%0.318SS..EExtended strand (participates in β ladder)trans-82.8-42.9177.1-61.4170.7000110.3N22 D28 E30N22-I24 PolarHBondContact O-N 2.99Å; I24-D28 HydrophobicContact CB-CB 4.19Å; I24-D28 WeakPolarHBondContact CG2-OD2 3.31Å; I24-D28 PolarHBondContact N-O 3.08Å; I24-E30 HydrophobicContact CD1-CB 4.14Å
25S93.9Very high94.1Very high54 Ų5462.1 Ų62.138%0.37832%0.317SS..EExtended strand (participates in β ladder)trans-148.9179.217381.20000110.3K23 Y27 D28K23-S25 WeakPolarHBondContact CE-O 3.39Å; K23-S25 WeakPolarHBondContact CG-O 3.47Å; S25-Y27 PolarHBondContact O-N 2.95Å; S25-Y27 PolarHBondContact OG-N 3.44Å; S25-D28 PolarHBondContact N-O 3.07Å; S25-D28 PolarHBondContact O-N 2.74Å; S25-D28 WeakPolarHBondContact OG-CB 3.3Å
26D90.7Very high94.4Very high108 Ų10866.5 Ų66.558%0.57833%0.334SS*.THydrogen-bonded Turntrans-59.4-27.2178.1-67.8-33.5000113.5K23 W29K23-D26 WeakPolarHBondContact CE-OD1 3.49Å; K23-D26 IonicContact NZ-OD1 2.99Å; K23-D26 PolarHBondContact NZ-OD1 3.16Å; D26-W29 PolarHBondContact O-NE1 3.21Å; D26-W29 VanDerWaalsContact O-NE1 3.08Å
27Y94.6Very high94.7Very high143 Ų14371.2 Ų71.256%0.56135%0.348SS*.THydrogen-bonded Turntrans-113.618.3-178-58.2-68.5000113.3S25 Y39S25-Y27 PolarHBondContact O-N 2.95Å; S25-Y27 PolarHBondContact OG-N 3.44Å; Y27-Y39 CarbonylContact C-O 3.28Å; Y27-Y39 VanDerWaalsContact C-O 3.28Å; Y27-Y39 WeakPolarHBondContact CA-O 3.29Å; Y27-Y39 HydrophobicContact CD1-CD1 4.23Å; Y27-Y39 AromaticContact CD1-CE1 3.46Å; Y27-Y39 HydrophobicContact CD1-CE1 3.46Å; Y27-Y39 VanDerWaalsContact CD1-CE1 3.46Å; Y27-Y39 AromaticContact CD1-CE2 3.92Å; Y27-Y39 HydrophobicContact CD1-CE2 3.92Å; Y27-Y39 AromaticContact CD1-CZ 3.27Å; Y27-Y39 VanDerWaalsContact CD1-OH 3.25Å; Y27-Y39 WeakPolarHBondContact CD1-OH 3.27Å; Y27-Y39 HydrophobicContact CE1-CE1 4.05Å; Y27-Y39 AromaticContact CE1-CZ 3.95Å; Y27-Y39 HydrophobicContact CG-CE1 4.29Å; Y27-Y39 AromaticContact CG-CE2 3.91Å; Y27-Y39 HydrophobicContact CG-CE2 3.91Å; Y27-Y39 AromaticContact CG-CZ 3.7Å; Y27-Y39 WeakPolarHBondContact O-CA 3.19Å
28D96.6Very high95Very high30 Ų3072 Ų7216%0.1635%0.352CS..EExtended strand (participates in β ladder)trans-146.8100.9-169.1-169.78.9000110.8I24 S25 R37I24-D28 HydrophobicContact CB-CB 4.19Å; I24-D28 WeakPolarHBondContact CG2-OD2 3.31Å; I24-D28 PolarHBondContact N-O 3.08Å; S25-D28 PolarHBondContact N-O 3.07Å; S25-D28 PolarHBondContact O-N 2.74Å; S25-D28 WeakPolarHBondContact OG-CB 3.3Å; D28-R37 IonicContact OD1-CZ 3.64Å; D28-R37 IonicContact OD1-NE 2.73Å; D28-R37 PolarHBondContact OD1-NE 3.24Å; D28-R37 IonicContact OD1-NH2 2.58Å; D28-R37 PolarHBondContact OD1-NH2 2.86Å; D28-R37 IonicContact OD2-CZ 2.92Å; D28-R37 IonicContact OD2-NH2 3.34Å; D28-R37 PolarHBondContact OD2-NH2 2.79Å
29W97.4Very high95.2Very high21 Ų2174.1 Ų74.18%0.0836%0.356CS..EExtended strand (participates in β ladder)trans-121.9123.7-173.7-5882.6000108.6K21 N22 K23 D26 R37 F38 E41 F44K21-W29 HydrophobicContact CD-CE3 3.98Å; K21-W29 HydrophobicContact CD-CZ3 3.73Å; K21-W29 HydrophobicContact CG-CE3 3.92Å; K21-W29 HydrophobicContact CG-CZ3 4.12Å; N22-W29 WeakPolarHBondContact O-CA 3.29Å; K23-W29 HydrophobicContact CB-CE3 3.8Å; K23-W29 HydrophobicContact CB-CH2 4.19Å; K23-W29 HydrophobicContact CB-CZ3 3.6Å; K23-W29 HydrophobicContact CD-CH2 3.43Å; K23-W29 VanDerWaalsContact CD-CH2 3.43Å; K23-W29 HydrophobicContact CD-CZ2 3.83Å; K23-W29 HydrophobicContact CD-CZ3 3.79Å; K23-W29 HydrophobicContact CG-CD2 4.19Å; K23-W29 HydrophobicContact CG-CE3 3.87Å; K23-W29 HydrophobicContact CG-CH2 3.69Å; K23-W29 HydrophobicContact CG-CZ2 3.95Å; K23-W29 HydrophobicContact CG-CZ3 3.61Å; D26-W29 PolarHBondContact O-NE1 3.21Å; D26-W29 VanDerWaalsContact O-NE1 3.08Å; W29-R37 CarbonylContact O-C 3.6Å; W29-R37 VanDerWaalsContact O-CA 3.23Å; W29-R37 WeakPolarHBondContact O-CA 3.33Å; W29-F38 HydrophobicContact CB-CB 4.28Å; W29-F38 PolarHBondContact N-O 3.07Å; W29-F38 PolarHBondContact O-N 3.17Å; W29-E41 HydrophobicContact CD2-CB 4.12Å; W29-E41 HydrophobicContact CE3-CB 4.27Å; W29-E41 HydrophobicContact CE3-CG 4.34Å; W29-E41 HydrophobicContact CH2-CB 3.85Å; W29-E41 HydrophobicContact CH2-CG 4.04Å; W29-E41 HydrophobicContact CZ2-CB 3.74Å; W29-E41 HydrophobicContact CZ2-CG 4.45Å; W29-E41 HydrophobicContact CZ3-CB 4.14Å; W29-E41 HydrophobicContact CZ3-CG 4.02Å; W29-F44 HydrophobicContact CB-CB 4.26Å
30E97.4Very high95.3Very high55 Ų5570.4 Ų70.426%0.25734%0.343SS..EExtended strand (participates in β ladder)trans-113.7137.9-178.8178-171-179.100111N22 I24 K36 R37N22-E30 HydrophobicContact CB-CB 4.07Å; N22-E30 WeakPolarHBondContact CB-O 3.43Å; N22-E30 PolarHBondContact N-O 3.14Å; N22-E30 PolarHBondContact ND2-OE2 3.14Å; N22-E30 PolarHBondContact O-N 3.38Å; I24-E30 HydrophobicContact CD1-CB 4.14Å; E30-K36 CarbonylContact C-O 3.19Å; E30-K36 WeakPolarHBondContact CA-O 3.5Å; E30-R37 HydrophobicContact CB-CG 4.19Å; E30-R37 HydrophobicContact CG-CG 4.26Å
31C96.5Very high95.4Very high0 Ų073 Ų730%036%0.355CS..EExtended strand (participates in β ladder)trans-83.3110168.7179.80000110.9M33 C34 G35 K36 F38 F44C31-M33 PolarHBondContact O-N 2.93Å; C31-M33 VanDerWaalsContact O-N 3.13Å; C31-C34 PolarHBondContact O-N 3.43Å; C31-G35 VanDerWaalsContact O-CA 3.29Å; C31-G35 WeakPolarHBondContact O-CA 3.4Å; C31-G35 PolarHBondContact O-N 3.36Å; C31-K36 PolarHBondContact N-O 2.69Å; C31-F38 HydrophobicContact CB-CE2 4.3Å; C31-F44 HydrophobicContact CB-CD2 4.3Å; C31-F44 HydrophobicContact CB-CE2 3.83Å
32Q94.8Very high95.3Very high120 Ų12076.8 Ų76.856%0.56138%0.376SS*.THydrogen-bonded Turntrans-64.9-16.7178.7-62.9-170.9-1.900113.4Q19 M20 N22Q19-Q32 PolarHBondContact O-OE1 3.12Å; M20-Q32 PolarHBondContact O-N 3.21Å; N22-Q32 HydrophobicContact CB-CG 3.82Å
33M92.4Very high95.3Very high77 Ų7777.2 Ų77.238%0.37938%0.381SS..THydrogen-bonded Turntrans-79-35.4178.2-172.4170.5-78.600113.2M20 C31 H52 N55M20-M33 HydrophobicContact CG-CE 4.31Å; M20-M33 HydrophobicContact SD-CB 3.96Å; M20-M33 HydrophobicContact SD-CE 3.18Å; M20-M33 WeakPolarHBondContact SD-CE 3.18Å; M20-M33 HydrophobicContact SD-CG 4.49Å; M20-M33 HydrophobicContact SD-SD 3.85Å; C31-M33 PolarHBondContact O-N 2.93Å; C31-M33 VanDerWaalsContact O-N 3.13Å; M33-H52 HydrophobicContact SD-CB 3.98Å; M33-H52 VanDerWaalsContact SD-CG 3.59Å; M33-H52 PolarHBondContact SD-ND1 3.33Å; M33-N55 HydrophobicContact CE-CB 3.57Å; M33-N55 HydrophobicContact SD-CB 4.11Å
34C94.9Very high95.3Very high58 Ų5872.1 Ų72.139%0.39236%0.358SS..THydrogen-bonded Turntrans-129.5-5.7-175.371.20000115.5C31 K36 H47C31-C34 PolarHBondContact O-N 3.43Å; C34-K36 VanDerWaalsContact C-N 3.3Å; C34-K36 PolarHBondContact O-N 2.93Å; C34-H47 PolarHBondContact SG-NE2 3.27Å; C34-H47 VanDerWaalsContact SG-NE2 3.43Å
35G95.4Very high95.3Very high41 Ų4170.7 Ų70.742%0.42335%0.352SS..  trans76.16.9-178.900000115.2C31C31-G35 VanDerWaalsContact O-CA 3.29Å; C31-G35 WeakPolarHBondContact O-CA 3.4Å; C31-G35 PolarHBondContact O-N 3.36Å
36K97.3Very high95.4Very high105 Ų10572.6 Ų72.646%0.45736%0.357SS..  trans-72.3143.4176.7-73.3-170.4179.1-164.10111.3E30 C31 C34 F38E30-K36 CarbonylContact C-O 3.19Å; E30-K36 WeakPolarHBondContact CA-O 3.5Å; C31-K36 PolarHBondContact N-O 2.69Å; C34-K36 VanDerWaalsContact C-N 3.3Å; C34-K36 PolarHBondContact O-N 2.93Å; K36-F38 HydrophobicContact CB-CE2 3.77Å; K36-F38 HydrophobicContact CB-CZ 3.79Å; K36-F38 WeakPolarHBondContact O-CE2 3.35Å
37R97.5Very high95.7Very high147 Ų14768.2 Ų68.256%0.55533%0.333SS*.EExtended strand (participates in β ladder)trans-112.8148.7-179.1-58.5177.376.7159.58111.5D28 W29 E30D28-R37 IonicContact OD1-CZ 3.64Å; D28-R37 IonicContact OD1-NE 2.73Å; D28-R37 PolarHBondContact OD1-NE 3.24Å; D28-R37 IonicContact OD1-NH2 2.58Å; D28-R37 PolarHBondContact OD1-NH2 2.86Å; D28-R37 IonicContact OD2-CZ 2.92Å; D28-R37 IonicContact OD2-NH2 3.34Å; D28-R37 PolarHBondContact OD2-NH2 2.79Å; W29-R37 CarbonylContact O-C 3.6Å; W29-R37 VanDerWaalsContact O-CA 3.23Å; W29-R37 WeakPolarHBondContact O-CA 3.33Å; E30-R37 HydrophobicContact CB-CG 4.19Å; E30-R37 HydrophobicContact CG-CG 4.26Å
38F97.8Very high95.7Very high41 Ų4161.4 Ų61.418%0.1831%0.306CS..EExtended strand (participates in β ladder)trans-138.8149.2-173.1-58.3-85000110.3W29 C31 K36 F44 H47W29-F38 HydrophobicContact CB-CB 4.28Å; W29-F38 PolarHBondContact N-O 3.07Å; W29-F38 PolarHBondContact O-N 3.17Å; C31-F38 HydrophobicContact CB-CE2 4.3Å; K36-F38 HydrophobicContact CB-CE2 3.77Å; K36-F38 HydrophobicContact CB-CZ 3.79Å; K36-F38 WeakPolarHBondContact O-CE2 3.35Å; F38-F44 HydrophobicContact CB-CB 4.06Å; F38-F44 HydrophobicContact CD2-CB 3.89Å; F38-F44 AromaticContact CD2-CD2 3.88Å; F38-F44 HydrophobicContact CD2-CD2 3.88Å; F38-F44 HydrophobicContact CD2-CG 4.39Å; F38-F44 HydrophobicContact CE2-CD2 4.2Å; F38-F44 HydrophobicContact CG-CB 4Å; F38-H47 HydrophobicContact CD1-CB 4.43Å; F38-H47 HydrophobicContact CE1-CB 3.53Å; F38-H47 AromaticContact CE1-CG 3.84Å; F38-H47 HydrophobicContact CE2-CB 4.11Å; F38-H47 AromaticContact CE2-CD2 3.53Å; F38-H47 AromaticContact CE2-CG 3.85Å; F38-H47 HydrophobicContact CZ-CB 3.35Å; F38-H47 AromaticContact CZ-CD2 3.31Å; F38-H47 WeakPolarHBondContact CZ-CD2 3.47Å; F38-H47 AromaticContact CZ-CG 3.15Å; F38-H47 AromaticContact CZ-ND1 3.75Å; F38-H47 AromaticContact CZ-NE2 3.95Å
39Y96.3Very high95.4Very high148 Ų14861.9 Ų61.958%0.5832%0.318SS*.SBendtrans-80.9-29.3-178.9-170.5-100.5000112.7Y27Y27-Y39 CarbonylContact C-O 3.28Å; Y27-Y39 VanDerWaalsContact C-O 3.28Å; Y27-Y39 WeakPolarHBondContact CA-O 3.29Å; Y27-Y39 HydrophobicContact CD1-CD1 4.23Å; Y27-Y39 AromaticContact CD1-CE1 3.46Å; Y27-Y39 HydrophobicContact CD1-CE1 3.46Å; Y27-Y39 VanDerWaalsContact CD1-CE1 3.46Å; Y27-Y39 AromaticContact CD1-CE2 3.92Å; Y27-Y39 HydrophobicContact CD1-CE2 3.92Å; Y27-Y39 AromaticContact CD1-CZ 3.27Å; Y27-Y39 VanDerWaalsContact CD1-OH 3.25Å; Y27-Y39 WeakPolarHBondContact CD1-OH 3.27Å; Y27-Y39 HydrophobicContact CE1-CE1 4.05Å; Y27-Y39 AromaticContact CE1-CZ 3.95Å; Y27-Y39 HydrophobicContact CG-CE1 4.29Å; Y27-Y39 AromaticContact CG-CE2 3.91Å; Y27-Y39 HydrophobicContact CG-CE2 3.91Å; Y27-Y39 AromaticContact CG-CZ 3.7Å; Y27-Y39 WeakPolarHBondContact O-CA 3.19Å
40T94.6Very high95.3Very high54 Ų5466.9 Ų66.933%0.33135%0.346SS..SBendtrans-133.1151.517969.60000111.6N42 T43 F44T40-N42 VanDerWaalsContact C-N 3.27Å; T40-N42 PolarHBondContact O-N 3.17Å; T40-T43 PolarHBondContact N-OG1 3.2Å; T40-T43 PolarHBondContact O-N 3.28Å; T40-T43 VanDerWaalsContact O-N 3.11Å; T40-T43 PolarHBondContact O-OG1 3.39Å; T40-T43 WeakPolarHBondContact OG1-CG2 3.25Å; T40-T43 PolarHBondContact OG1-N 3.14Å; T40-T43 PolarHBondContact OG1-OG1 3.11Å; T40-F44 PolarHBondContact O-N 3.36Å; T40-F44 VanDerWaalsContact O-N 3.13Å
41E94.1Very high95.1Very high67 Ų6772.8 Ų72.831%0.31337%0.366SS..Hα-helixtrans-53.7-44.2174.8-171.9174.3-157.400111.7K21 W29 T43 F44 D45K21-E41 HydrophobicContact CD-CG 4.37Å; K21-E41 IonicContact NZ-OE1 3.78Å; K21-E41 PolarHBondContact NZ-OE1 3.34Å; W29-E41 HydrophobicContact CD2-CB 4.12Å; W29-E41 HydrophobicContact CE3-CB 4.27Å; W29-E41 HydrophobicContact CE3-CG 4.34Å; W29-E41 HydrophobicContact CH2-CB 3.85Å; W29-E41 HydrophobicContact CH2-CG 4.04Å; W29-E41 HydrophobicContact CZ2-CB 3.74Å; W29-E41 HydrophobicContact CZ2-CG 4.45Å; W29-E41 HydrophobicContact CZ3-CB 4.14Å; W29-E41 HydrophobicContact CZ3-CG 4.02Å; E41-T43 PolarHBondContact O-N 2.99Å; E41-F44 CarbonylContact O-C 3.33Å; E41-F44 WeakPolarHBondContact O-CA 3.32Å; E41-F44 VanDerWaalsContact O-CB 3.28Å; E41-F44 WeakPolarHBondContact O-CB 3.46Å; E41-F44 PolarHBondContact O-N 3.26Å; E41-D45 PolarHBondContact O-N 3.02Å
42N93.6Very high95Very high104 Ų10474.2 Ų74.256%0.55637%0.373SS*.Hα-helixtrans-57.9-45.2177.5-177.151.9000112.3T40 F44 D45 L46T40-N42 VanDerWaalsContact C-N 3.27Å; T40-N42 PolarHBondContact O-N 3.17Å; N42-F44 VanDerWaalsContact C-N 3.27Å; N42-F44 PolarHBondContact O-N 2.93Å; N42-D45 PolarHBondContact O-N 3.23Å; N42-L46 WeakPolarHBondContact O-CD1 3.41Å; N42-L46 PolarHBondContact O-N 3.47Å; N42-L46 VanDerWaalsContact OD1-CD1 3.29Å; N42-L46 WeakPolarHBondContact OD1-CD1 3.27Å
43T95.5Very high94.8Very high60 Ų6074.2 Ų74.237%0.36837%0.373SS..Hα-helixtrans-66.3-30.3177.654.90000113.2T40 E41 H47T40-T43 PolarHBondContact N-OG1 3.2Å; T40-T43 PolarHBondContact O-N 3.28Å; T40-T43 VanDerWaalsContact O-N 3.11Å; T40-T43 PolarHBondContact O-OG1 3.39Å; T40-T43 WeakPolarHBondContact OG1-CG2 3.25Å; T40-T43 PolarHBondContact OG1-N 3.14Å; T40-T43 PolarHBondContact OG1-OG1 3.11Å; E41-T43 PolarHBondContact O-N 2.99Å; T43-H47 PolarHBondContact O-N 3.43Å; T43-H47 VanDerWaalsContact O-N 3.16Å
44F96.3Very high94.7Very high0 Ų076.1 Ų76.10%039%0.389CS..Hα-helixtrans-66.8-46.3170.3163.8-84.4000111.2H17 K21 W29 C31 F38 T40 E41 N42 L46 H47 I48H17-F44 AromaticContact NE2-CE1 3.78Å; K21-F44 HydrophobicContact CB-CE1 3.8Å; K21-F44 HydrophobicContact CB-CZ 3.7Å; K21-F44 HydrophobicContact CD-CD1 4.46Å; K21-F44 HydrophobicContact CD-CE1 4.2Å; K21-F44 VanDerWaalsContact CE-CE1 3.49Å; K21-F44 HydrophobicContact CG-CD1 4.17Å; K21-F44 HydrophobicContact CG-CE1 3.76Å; K21-F44 HydrophobicContact CG-CZ 3.96Å; W29-F44 HydrophobicContact CB-CB 4.26Å; C31-F44 HydrophobicContact CB-CD2 4.3Å; C31-F44 HydrophobicContact CB-CE2 3.83Å; F38-F44 HydrophobicContact CB-CB 4.06Å; F38-F44 HydrophobicContact CD2-CB 3.89Å; F38-F44 AromaticContact CD2-CD2 3.88Å; F38-F44 HydrophobicContact CD2-CD2 3.88Å; F38-F44 HydrophobicContact CD2-CG 4.39Å; F38-F44 HydrophobicContact CE2-CD2 4.2Å; F38-F44 HydrophobicContact CG-CB 4Å; T40-F44 PolarHBondContact O-N 3.36Å; T40-F44 VanDerWaalsContact O-N 3.13Å; E41-F44 CarbonylContact O-C 3.33Å; E41-F44 WeakPolarHBondContact O-CA 3.32Å; E41-F44 VanDerWaalsContact O-CB 3.28Å; E41-F44 WeakPolarHBondContact O-CB 3.46Å; E41-F44 PolarHBondContact O-N 3.26Å; N42-F44 VanDerWaalsContact C-N 3.27Å; N42-F44 PolarHBondContact O-N 2.93Å; F44-L46 PolarHBondContact O-N 3.39Å; F44-H47 WeakPolarHBondContact O-CA 3.31Å; F44-H47 VanDerWaalsContact O-CB 3.29Å; F44-H47 WeakPolarHBondContact O-CB 3.39Å; F44-H47 PolarHBondContact O-N 3.27Å; F44-I48 HydrophobicContact CD1-CG1 4.31Å; F44-I48 HydrophobicContact CE1-CD1 4.45Å; F44-I48 HydrophobicContact CE1-CG1 3.74Å; F44-I48 HydrophobicContact CE2-CD1 4.08Å; F44-I48 HydrophobicContact CE2-CG1 4.14Å; F44-I48 HydrophobicContact CZ-CD1 3.85Å; F44-I48 HydrophobicContact CZ-CG1 3.64Å; F44-I48 PolarHBondContact O-N 3.12Å
45D94.3Very high94.3Very high52 Ų5277 Ų7728%0.27839%0.39SS..Hα-helixtrans-62.5-43.2-179.8-68.5-27.1000111.3H17 K21 E41 N42 H47 I48 G49H17-D45 IonicContact CD2-OD1 3.84Å; H17-D45 IonicContact CE1-OD1 3.54Å; H17-D45 IonicContact NE2-OD1 2.74Å; H17-D45 PolarHBondContact NE2-OD1 3.43Å; K21-D45 IonicContact NZ-OD1 2.74Å; E41-D45 PolarHBondContact O-N 3.02Å; N42-D45 PolarHBondContact O-N 3.23Å; D45-H47 VanDerWaalsContact C-N 3.25Å; D45-H47 PolarHBondContact O-N 2.96Å; D45-I48 PolarHBondContact O-N 3.48Å; D45-G49 PolarHBondContact O-N 3.37Å
46L95.1Very high93.8Very high93 Ų9375.3 Ų75.349%0.48737%0.372SS..Hα-helixtrans-58.3-38.4171.3-88.387.6000111.8N42 F44 N50N42-L46 WeakPolarHBondContact O-CD1 3.41Å; N42-L46 PolarHBondContact O-N 3.47Å; N42-L46 VanDerWaalsContact OD1-CD1 3.29Å; N42-L46 WeakPolarHBondContact OD1-CD1 3.27Å; F44-L46 PolarHBondContact O-N 3.39Å; L46-N50 WeakPolarHBondContact O-CB 3.35Å; L46-N50 PolarHBondContact O-N 3.4Å; L46-N50 VanDerWaalsContact O-N 3.14Å; L46-N50 PolarHBondContact O-ND2 2.74Å
47H96.4Very high93.3Very high17 Ų1775.5 Ų75.58%0.07937%0.37CS..Hα-helixtrans-65.3-45.8177.8162.368000111.9C34 F38 T43 F44 D45 G49 N50 R51 H52C34-H47 PolarHBondContact SG-NE2 3.27Å; C34-H47 VanDerWaalsContact SG-NE2 3.43Å; F38-H47 HydrophobicContact CD1-CB 4.43Å; F38-H47 HydrophobicContact CE1-CB 3.53Å; F38-H47 AromaticContact CE1-CG 3.84Å; F38-H47 HydrophobicContact CE2-CB 4.11Å; F38-H47 AromaticContact CE2-CD2 3.53Å; F38-H47 AromaticContact CE2-CG 3.85Å; F38-H47 HydrophobicContact CZ-CB 3.35Å; F38-H47 AromaticContact CZ-CD2 3.31Å; F38-H47 WeakPolarHBondContact CZ-CD2 3.47Å; F38-H47 AromaticContact CZ-CG 3.15Å; F38-H47 AromaticContact CZ-ND1 3.75Å; F38-H47 AromaticContact CZ-NE2 3.95Å; T43-H47 PolarHBondContact O-N 3.43Å; T43-H47 VanDerWaalsContact O-N 3.16Å; F44-H47 WeakPolarHBondContact O-CA 3.31Å; F44-H47 VanDerWaalsContact O-CB 3.29Å; F44-H47 WeakPolarHBondContact O-CB 3.39Å; F44-H47 PolarHBondContact O-N 3.27Å; D45-H47 VanDerWaalsContact C-N 3.25Å; D45-H47 PolarHBondContact O-N 2.96Å; H47-G49 VanDerWaalsContact C-N 3.33Å; H47-G49 PolarHBondContact O-N 3.33Å; H47-N50 PolarHBondContact O-N 3.35Å; H47-N50 VanDerWaalsContact O-N 3.16Å; H47-R51 WeakPolarHBondContact O-CB 3.22Å; H47-R51 PolarHBondContact O-N 3.13Å; H47-H52 AromaticContact CE1-CD2 3.96Å; H47-H52 AromaticContact CE1-NE2 3.87Å; H47-H52 AromaticContact NE2-CD2 3.5Å; H47-H52 PolarHBondContact NE2-CD2 2.93Å; H47-H52 AromaticContact NE2-NE2 3.56Å
48I95Very high92.6Very high0 Ų069.5 Ų69.50%035%0.351CS..Hα-helixtrans-58.7-48177.3-62.6-59.4000110H17 M20 F44 D45 N50 R51 H52 E53 A56H17-I48 WeakPolarHBondContact ND1-CG2 3.48Å; M20-I48 HydrophobicContact CE-CD1 4.24Å; M20-I48 HydrophobicContact CE-CG2 3.96Å; M20-I48 HydrophobicContact SD-CD1 4.48Å; F44-I48 HydrophobicContact CD1-CG1 4.31Å; F44-I48 HydrophobicContact CE1-CD1 4.45Å; F44-I48 HydrophobicContact CE1-CG1 3.74Å; F44-I48 HydrophobicContact CE2-CD1 4.08Å; F44-I48 HydrophobicContact CE2-CG1 4.14Å; F44-I48 HydrophobicContact CZ-CD1 3.85Å; F44-I48 HydrophobicContact CZ-CG1 3.64Å; F44-I48 PolarHBondContact O-N 3.12Å; D45-I48 PolarHBondContact O-N 3.48Å; I48-N50 PolarHBondContact O-N 2.84Å; I48-R51 PolarHBondContact O-N 2.92Å; I48-H52 HydrophobicContact CD1-CB 4.38Å; I48-H52 HydrophobicContact CG2-CB 4.31Å; I48-H52 CarbonylContact O-C 3.54Å; I48-H52 WeakPolarHBondContact O-CA 3.49Å; I48-H52 PolarHBondContact O-N 3.14Å; I48-E53 PolarHBondContact O-N 2.75Å; I48-A56 HydrophobicContact CG2-CB 3.59Å
49G91.9Very high91.8Very high39 Ų3973.9 Ų73.940%0.40238%0.382SS..Hα-helixtrans-60.5-27.1177.700000114.5D45 H47D45-G49 PolarHBondContact O-N 3.37Å; H47-G49 VanDerWaalsContact C-N 3.33Å; H47-G49 PolarHBondContact O-N 3.33Å
50N94Very high91.1Very high126 Ų12671.7 Ų71.767%0.67439%0.388SS*.Hα-helixtrans-96.1-25.4-178.7-74.2-51.7000114.6L46 H47 I48L46-N50 WeakPolarHBondContact O-CB 3.35Å; L46-N50 PolarHBondContact O-N 3.4Å; L46-N50 VanDerWaalsContact O-N 3.14Å; L46-N50 PolarHBondContact O-ND2 2.74Å; H47-N50 PolarHBondContact O-N 3.35Å; H47-N50 VanDerWaalsContact O-N 3.16Å; I48-N50 PolarHBondContact O-N 2.84Å
51R94.3Very high90.6Very high180 Ų18071.6 Ų71.668%0.67938%0.382SS*.Hα-helixtrans-120.5-23.5-170.4-65.3-62.4-172.2144.7-3.2113.9H47 I48H47-R51 WeakPolarHBondContact O-CB 3.22Å; H47-R51 PolarHBondContact O-N 3.13Å; I48-R51 PolarHBondContact O-N 2.92Å
52H93.7Very high90.3Very high30 Ų3073.9 Ų73.914%0.13940%0.4CS..SBendtrans-133.223.2-173.3-60.7-56.1000111.6M33 H47 I48 T54 N55 A56M33-H52 HydrophobicContact SD-CB 3.98Å; M33-H52 VanDerWaalsContact SD-CG 3.59Å; M33-H52 PolarHBondContact SD-ND1 3.33Å; H47-H52 AromaticContact CE1-CD2 3.96Å; H47-H52 AromaticContact CE1-NE2 3.87Å; H47-H52 AromaticContact NE2-CD2 3.5Å; H47-H52 PolarHBondContact NE2-CD2 2.93Å; H47-H52 AromaticContact NE2-NE2 3.56Å; I48-H52 HydrophobicContact CD1-CB 4.38Å; I48-H52 HydrophobicContact CG2-CB 4.31Å; I48-H52 CarbonylContact O-C 3.54Å; I48-H52 WeakPolarHBondContact O-CA 3.49Å; I48-H52 PolarHBondContact O-N 3.14Å; H52-T54 PolarHBondContact O-N 2.93Å; H52-N55 CarbonylContact O-C 3.49Å; H52-N55 WeakPolarHBondContact O-CA 3.46Å; H52-N55 PolarHBondContact O-N 3.45Å; H52-A56 PolarHBondContact O-N 3.18Å
53E90.7Very high90.2Very high119 Ų11970.2 Ų70.256%0.55638%0.38SS*.Hα-helixtrans-49.9-45.5-178.4-171.2-176.1179.900112I48 N55 A56 Y57I48-E53 PolarHBondContact O-N 2.75Å; E53-N55 PolarHBondContact O-N 3.29Å; E53-N55 VanDerWaalsContact O-N 3.11Å; E53-A56 WeakPolarHBondContact O-CB 3.46Å; E53-A56 PolarHBondContact O-N 3.34Å; E53-A56 VanDerWaalsContact O-N 3.11Å; E53-Y57 HydrophobicContact CG-CE1 4.43Å; E53-Y57 WeakPolarHBondContact O-CD1 3.4Å; E53-Y57 WeakPolarHBondContact O-CE1 3.29Å
54T89.1Confident90.1Very high117 Ų11769.2 Ų69.272%0.71838%0.375SS*.Hα-helixtrans-61-22.5179.752.90000114.1H52H52-T54 PolarHBondContact O-N 2.93Å
55N87.4Confident89.9Confident76 Ų7672.3 Ų72.341%0.40639%0.391SS..Hα-helixtrans-111.3-5.6-178.4-61.855.9000111.9I16 M33 H52 E53 Y57I16-N55 WeakPolarHBondContact CG2-O 3.43Å; M33-N55 HydrophobicContact CE-CB 3.57Å; M33-N55 HydrophobicContact SD-CB 4.11Å; H52-N55 CarbonylContact O-C 3.49Å; H52-N55 WeakPolarHBondContact O-CA 3.46Å; H52-N55 PolarHBondContact O-N 3.45Å; E53-N55 PolarHBondContact O-N 3.29Å; E53-N55 VanDerWaalsContact O-N 3.11Å; N55-Y57 VanDerWaalsContact C-N 3.34Å
56A85Confident89.7Confident6 Ų673.6 Ų73.65%0.0541%0.405CS..Hα-helixtrans-70.7-32.3-175.400000112H17 I48 H52 E53H17-A56 WeakPolarHBondContact CB-O 3.28Å; H17-A56 PolarHBondContact N-O 3.11Å; I48-A56 HydrophobicContact CG2-CB 3.59Å; H52-A56 PolarHBondContact O-N 3.18Å; E53-A56 WeakPolarHBondContact O-CB 3.46Å; E53-A56 PolarHBondContact O-N 3.34Å; E53-A56 VanDerWaalsContact O-N 3.11Å
57Y86.9Confident89.6Confident109 Ų10973 Ų7343%0.42741%0.409SS..SBendtrans-131.3159.7-177.364.4-85.5000112.3I13 E53 N55I13-Y57 VanDerWaalsContact O-CA 3.28Å; I13-Y57 WeakPolarHBondContact O-CA 3.44Å; E53-Y57 HydrophobicContact CG-CE1 4.43Å; E53-Y57 WeakPolarHBondContact O-CD1 3.4Å; E53-Y57 WeakPolarHBondContact O-CE1 3.29Å; N55-Y57 VanDerWaalsContact C-N 3.34Å
58S82.7Confident89.5Confident22 Ų2274.1 Ų74.115%0.15441%0.412CS..  trans-108.8124.5173-176.50000111I13 S60 R61I13-S58 PolarHBondContact O-N 3.18Å; S58-S60 PolarHBondContact O-N 3.06Å; S58-S60 PolarHBondContact OG-N 3.13Å; S58-S60 PolarHBondContact OG-OG 3.36Å; S58-R61 PolarHBondContact O-N 2.84Å
59T80.1Confident89.4Confident133 Ų13375.7 Ų75.782%0.81642%0.423SS*.THydrogen-bonded Turntrans-66.4-19.3173.3-41.60000112.8R61T59-R61 VanDerWaalsContact C-N 3.27Å
60S82.4Confident89.3Confident102 Ų10276.9 Ų76.971%0.71342%0.423SS*.THydrogen-bonded Turntrans-76.7-15.4175.966.60000113.6S58S58-S60 PolarHBondContact O-N 3.06Å; S58-S60 PolarHBondContact OG-N 3.13Å; S58-S60 PolarHBondContact OG-OG 3.36Å
61R83.9Confident89.3Confident52 Ų5271.1 Ų71.120%0.19639%0.393CS..  trans-98149.7178.7-60.4-167.8-170.4104.72.5109.1K10 D12 I13 I16 S58 T59K10-R61 WeakPolarHBondContact O-CD 3.27Å; K10-R61 WeakPolarHBondContact O-CG 3.35Å; K10-R61 PolarHBondContact O-NE 3.33Å; D12-R61 WeakPolarHBondContact O-CD 3.02Å; I13-R61 HydrophobicContact CB-CB 4.48Å; I13-R61 HydrophobicContact CG2-CB 3.85Å; I13-R61 WeakPolarHBondContact CG2-O 2.99Å; I16-R61 VanDerWaalsContact CD1-NH1 3.32Å; S58-R61 PolarHBondContact O-N 2.84Å; T59-R61 VanDerWaalsContact C-N 3.27Å
62T87.2Confident89.1Confident115 Ų11565.4 Ų65.471%0.70638%0.375SS*.  trans-121.4-9.9-165.753.40000113.9H11H11-T62 PolarHBondContact O-N 3.08Å
63I93.2Very high89Confident26 Ų2664.9 Ų64.913%0.13337%0.372CS..BIsolated β-bridgetrans-115.8122.4-169.1-59.9-176.8000111.1P6 H11 D12 I13 Y68P6-I63 VanDerWaalsContact CA-CD1 3.44Å; P6-I63 HydrophobicContact CB-CD1 3.57Å; P6-I63 VanDerWaalsContact O-CD1 3.3Å; P6-I63 WeakPolarHBondContact O-CD1 3.07Å; H11-I63 HydrophobicContact CB-CB 4.07Å; H11-I63 HydrophobicContact CB-CD1 3.75Å; H11-I63 HydrophobicContact CB-CG1 3.97Å; H11-I63 WeakPolarHBondContact O-CA 3.29Å; H11-I63 WeakPolarHBondContact O-CB 3.42Å; H11-I63 PolarHBondContact O-N 3.32Å; D12-I63 WeakPolarHBondContact CA-O 3.02Å; I13-I63 PolarHBondContact N-O 3.18Å; I63-Y68 HydrophobicContact CG2-CD2 4.4Å; I63-Y68 HydrophobicContact CG2-CE2 3.65Å
64C93.2Very high88.9Confident40 Ų4061 Ų6127%0.2736%0.358SS..  trans-93.8116.6165.2-176.20000108.9I13 S66 S67I13-C64 HydrophobicContact CD1-CB 3.65Å; I13-C64 HydrophobicContact CG1-CB 4.23Å; C64-S66 PolarHBondContact O-N 3.04Å; C64-S66 VanDerWaalsContact O-N 3.14Å; C64-S67 PolarHBondContact O-N 3.45Å; C64-S67 PolarHBondContact O-OG 3.39Å
65L92Very high88.6Confident64 Ų6456.9 Ų56.934%0.33533%0.333SS..G310 helixtrans-60.2-26.2-179.1-69.3173.5000113.2F7 D12 S67 Y68F7-L65 HydrophobicContact CD1-CD2 3.63Å; F7-L65 HydrophobicContact CE1-CD2 4.17Å; D12-L65 HydrophobicContact CB-CD1 4.48Å; L65-S67 PolarHBondContact O-N 3.05Å; L65-Y68 PolarHBondContact O-N 3.48Å
66S90.1Very high88.5Confident80 Ų8053.8 Ų53.856%0.55932%0.317SS*.G310 helixtrans-60.2-24.7176-174.80000113.3C64 Y68 C69C64-S66 PolarHBondContact O-N 3.04Å; C64-S66 VanDerWaalsContact O-N 3.14Å; S66-Y68 PolarHBondContact O-N 2.69Å; S66-C69 WeakPolarHBondContact O-CB 3.47Å; S66-C69 PolarHBondContact O-N 2.73Å; S66-C69 VanDerWaalsContact O-N 3.17Å
67S92.5Very high88.5Confident81 Ų8157.4 Ų57.457%0.56634%0.336SS*.G310 helixtrans-69.1-16.9176.168.20000112.9C64 L65C64-S67 PolarHBondContact O-N 3.45Å; C64-S67 PolarHBondContact O-OG 3.39Å; L65-S67 PolarHBondContact O-N 3.05Å
68Y94.1Very high88.1Confident40 Ų4057.7 Ų57.716%0.15734%0.339CS..G310 helixtrans-98.910.7175.9-60.8-90.6000112.4F7 I63 L65 S66 P70 L71 L72 I109F7-Y68 AromaticContact CE1-CD1 3.94Å; F7-Y68 HydrophobicContact CE1-CD1 3.94Å; F7-Y68 AromaticContact CE1-CD2 3.91Å; F7-Y68 HydrophobicContact CE1-CD2 3.91Å; F7-Y68 HydrophobicContact CE1-CE1 4.45Å; F7-Y68 HydrophobicContact CE1-CE2 4.43Å; F7-Y68 AromaticContact CE1-CG 3.63Å; F7-Y68 HydrophobicContact CE1-CG 3.63Å; F7-Y68 AromaticContact CZ-CD1 3.98Å; F7-Y68 HydrophobicContact CZ-CD1 3.98Å; F7-Y68 HydrophobicContact CZ-CG 4.04Å; I63-Y68 HydrophobicContact CG2-CD2 4.4Å; I63-Y68 HydrophobicContact CG2-CE2 3.65Å; L65-Y68 PolarHBondContact O-N 3.48Å; S66-Y68 PolarHBondContact O-N 2.69Å; Y68-P70 VanDerWaalsContact C-CD 3.44Å; Y68-P70 VanDerWaalsContact C-N 3.33Å; Y68-L71 WeakPolarHBondContact O-CA 3.06Å; Y68-L71 WeakPolarHBondContact O-CB 3.31Å; Y68-L71 PolarHBondContact O-N 2.06Å; Y68-L72 WeakPolarHBondContact O-CG 3.43Å; Y68-L72 PolarHBondContact O-N 3.2Å; Y68-I109 HydrophobicContact CD1-CD1 3.74Å; Y68-I109 HydrophobicContact CE1-CD1 3.53Å
69C92.4Very high87.5Confident33 Ų3360.1 Ų60.122%0.22335%0.354CS..Hα-helixtrans-56.8-35.1-179.7-93.20000115.7S66 L71 L72 R73 C74S66-C69 WeakPolarHBondContact O-CB 3.47Å; S66-C69 PolarHBondContact O-N 2.73Å; S66-C69 VanDerWaalsContact O-N 3.17Å; C69-L71 VanDerWaalsContact C-N 3.27Å; C69-L71 PolarHBondContact O-N 2.03Å; C69-L72 CarbonylContact O-C 3.59Å; C69-L72 PolarHBondContact O-N 3.4Å; C69-R73 PolarHBondContact O-N 2.93Å; C69-C74 WeakPolarHBondContact CA-SG 3.26Å; C69-C74 HydrophobicContact CB-CB 3.56Å; C69-C74 WeakPolarHBondContact CB-SG 3.48Å; C69-C74 PolarHBondContact O-N 3.1Å; C69-C74 VanDerWaalsContact O-N 3.1Å; C69-C74 WeakPolarHBondContact SG-CB 3.1Å; C69-C74 CovalentContact SG-SG 2.06Å; C69-C74 PolarHBondContact SG-SG 2.88Å
70P90.3Very high86.9Confident63 Ų6360.2 Ų60.241%0.40935%0.35SS..Hα-helixtrans-62.8-33172-24.535.1000113.2Y68 I102 Y142Y68-P70 VanDerWaalsContact C-CD 3.44Å; Y68-P70 VanDerWaalsContact C-N 3.33Å; P70-I102 HydrophobicContact CB-CD1 4.11Å; P70-Y142 WeakPolarHBondContact O-CE2 3.23Å; P70-Y142 PolarHBondContact O-OH 2.94Å
71L93.3Very high86.2Confident6 Ų660.5 Ų60.53%0.03135%0.347CS..Hα-helixtrans-77.2-38.5175.6-178.5160.3000111.3F7 Y68 C69 R73 I102 C106 I109 L137F7-L71 HydrophobicContact CE2-CD2 4.46Å; F7-L71 HydrophobicContact CZ-CD2 4.2Å; Y68-L71 WeakPolarHBondContact O-CA 3.06Å; Y68-L71 WeakPolarHBondContact O-CB 3.31Å; Y68-L71 PolarHBondContact O-N 2.06Å; C69-L71 VanDerWaalsContact C-N 3.27Å; C69-L71 PolarHBondContact O-N 2.03Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-R73 PolarHBondContact O-N 2.61Å; L71-I102 HydrophobicContact CB-CG2 4.43Å; L71-C106 HydrophobicContact CD1-CB 3.8Å; L71-C106 HydrophobicContact CG-CB 4.05Å; L71-I109 HydrophobicContact CD1-CD1 3.49Å; L71-I109 VanDerWaalsContact CD1-CD1 3.49Å; L71-L137 HydrophobicContact CG-CD1 4.19Å
72L91.7Very high85Confident59 Ų5962.2 Ų62.231%0.30936%0.36SS..Hα-helixtrans-84.80.6-178.8-61.6175.4000113.5F7 Y68 C69 C74 L77F7-L72 HydrophobicContact CZ-CD2 4.45Å; Y68-L72 WeakPolarHBondContact O-CG 3.43Å; Y68-L72 PolarHBondContact O-N 3.2Å; C69-L72 CarbonylContact O-C 3.59Å; C69-L72 PolarHBondContact O-N 3.4Å; L72-C74 VanDerWaalsContact C-N 3.27Å; L72-C74 PolarHBondContact O-N 3.31Å; L72-L77 WeakPolarHBondContact O-CD1 3.46Å
73R90.2Very high83.5Confident19 Ų1967.3 Ų67.37%0.07237%0.368CS..THydrogen-bonded Turntrans56.538.5178.4-54.5167.658.3-150.7-7.8112.7C69 L71 S75 V76 L77 L137 Y142 I144C69-R73 PolarHBondContact O-N 2.93Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-R73 PolarHBondContact O-N 2.61Å; R73-S75 PolarHBondContact O-N 3.41Å; R73-V76 HydrophobicContact CB-CB 4.44Å; R73-V76 PolarHBondContact O-N 3.32Å; R73-L77 HydrophobicContact CB-CG 4.44Å; R73-L77 PolarHBondContact O-N 3.47Å; R73-L137 HydrophobicContact CG-CD2 4.28Å; R73-Y142 HydrophobicContact CB-CE2 4.28Å; R73-Y142 HydrophobicContact CG-CD2 3.84Å; R73-Y142 HydrophobicContact CG-CE2 3.53Å; R73-Y142 PolarHBondContact NE-O 3.27Å; R73-Y142 PolarHBondContact NH2-O 3.01Å; R73-I144 PolarHBondContact NH2-O 2.62Å
74C89Confident81.9Confident39 Ų3967.6 Ų67.626%0.26438%0.377SS..Hα-helixtrans-53.6-41.6-175.9-66.50000112.4C69 L72 V76 L77 K78C69-C74 WeakPolarHBondContact CA-SG 3.26Å; C69-C74 HydrophobicContact CB-CB 3.56Å; C69-C74 WeakPolarHBondContact CB-SG 3.48Å; C69-C74 PolarHBondContact O-N 3.1Å; C69-C74 VanDerWaalsContact O-N 3.1Å; C69-C74 WeakPolarHBondContact SG-CB 3.1Å; C69-C74 CovalentContact SG-SG 2.06Å; C69-C74 PolarHBondContact SG-SG 2.88Å; L72-C74 VanDerWaalsContact C-N 3.27Å; L72-C74 PolarHBondContact O-N 3.31Å; C74-V76 PolarHBondContact O-N 2.89Å; C74-L77 PolarHBondContact O-N 2.94Å; C74-K78 PolarHBondContact O-N 3.22Å
75S83.3Confident80.5Confident29 Ų2976.5 Ų76.520%0.20341%0.406CS..Hα-helixtrans-63.6-28.3-17958.30000113.8R73 D82R73-S75 PolarHBondContact O-N 3.41Å; S75-D82 VanDerWaalsContact CB-OD2 3.26Å; S75-D82 WeakPolarHBondContact CB-OD2 3.34Å
76V85.2Confident79.6Confident12 Ų1279.2 Ų79.27%0.07342%0.417CS..Hα-helixtrans-89.7-42.7-179.9-176.70000110.7R73 C74 Y142 W143 L145R73-V76 HydrophobicContact CB-CB 4.44Å; R73-V76 PolarHBondContact O-N 3.32Å; C74-V76 PolarHBondContact O-N 2.89Å; V76-Y142 HydrophobicContact CG2-CD1 4.09Å; V76-Y142 HydrophobicContact CG2-CE1 3.79Å; V76-W143 HydrophobicContact CG2-CE3 3.71Å; V76-W143 HydrophobicContact CG2-CZ3 4.15Å; V76-L145 HydrophobicContact CG1-CD1 4.28Å; V76-L145 VanDerWaalsContact O-CD1 3.27Å; V76-L145 WeakPolarHBondContact O-CD1 3.4Å
77L84.2Confident79Confident82 Ų8277.6 Ų77.643%0.42940%0.404SS..Hα-helixtrans-78-28.7-176.6-64.5177.9000113.4L72 R73 C74 L145 P146L72-L77 WeakPolarHBondContact O-CD1 3.46Å; R73-L77 HydrophobicContact CB-CG 4.44Å; R73-L77 PolarHBondContact O-N 3.47Å; C74-L77 PolarHBondContact O-N 2.94Å; L77-L145 HydrophobicContact CD2-CD1 3.95Å; L77-P146 VanDerWaalsContact CD2-CD 3.49Å; L77-P146 HydrophobicContact CD2-CG 3.7Å
78K79Confident78.5Confident115 Ų11580.6 Ų80.650%0.541%0.407SS..  trans-130.273.3177.7-73.8-164176.3-172.30111C74 D80 V81 D82C74-K78 PolarHBondContact O-N 3.22Å; K78-D80 WeakPolarHBondContact CA-OD1 3.43Å; K78-D80 WeakPolarHBondContact CB-OD1 3.35Å; K78-D80 PolarHBondContact O-N 2.89Å; K78-V81 HydrophobicContact CB-CB 4.34Å; K78-V81 HydrophobicContact CB-CG2 4.09Å; K78-V81 HydrophobicContact CD-CG2 4.08Å; K78-V81 PolarHBondContact O-N 3.23Å; K78-V81 VanDerWaalsContact O-N 3.16Å; K78-D82 PolarHBondContact O-N 2.95Å
79P70Confident78.1Confident72 Ų7286.1 Ų86.147%0.46843%0.428SS..THydrogen-bonded Turntrans-70.4-9.6179.231.4-36.9000113.3D82P79-D82 CarbonylContact C-O 3.51Å
80D68.7Low77.8Confident136 Ų13687.7 Ų87.773%0.72743%0.434SS*.THydrogen-bonded Turntrans-74.4-27.3172.460.9-46000112.5K78K78-D80 WeakPolarHBondContact CA-OD1 3.43Å; K78-D80 WeakPolarHBondContact CB-OD1 3.35Å; K78-D80 PolarHBondContact O-N 2.89Å
81V66.3Low77.6Confident107 Ų10788 Ų8865%0.64843%0.43SS*.THydrogen-bonded Turntrans-92.1-37.9-178.6-177.30000111.7K78K78-V81 HydrophobicContact CB-CB 4.34Å; K78-V81 HydrophobicContact CB-CG2 4.09Å; K78-V81 HydrophobicContact CD-CG2 4.08Å; K78-V81 PolarHBondContact O-N 3.23Å; K78-V81 VanDerWaalsContact O-N 3.16Å
82D58.4Low77.5Confident89 Ų8990.9 Ų90.948%0.47646%0.455SS..THydrogen-bonded Turntrans-115.3129.1178.8-155.95.6000107.9S75 K78 P79 G84S75-D82 VanDerWaalsContact CB-OD2 3.26Å; S75-D82 WeakPolarHBondContact CB-OD2 3.34Å; K78-D82 PolarHBondContact O-N 2.95Å; P79-D82 CarbonylContact C-O 3.51Å; D82-G84 VanDerWaalsContact C-N 3.25Å; D82-G84 WeakPolarHBondContact O-CA 3.1Å; D82-G84 PolarHBondContact O-N 3.44Å
83Y57.2Low77.4Confident222 Ų22294.7 Ų94.787%0.87148%0.475SS*.THydrogen-bonded Turntrans-53.777.5-168.9-80.7-100.5000113.2Y85Y83-Y85 PolarHBondContact O-N 3.14Å
84G59.6Low77.4Confident31 Ų3195.1 Ų95.132%0.3248%0.48SS..G310 helixtrans-78.319.7-163.600000115.7D82 Q86D82-G84 VanDerWaalsContact C-N 3.25Å; D82-G84 WeakPolarHBondContact O-CA 3.1Å; D82-G84 PolarHBondContact O-N 3.44Å; G84-Q86 VanDerWaalsContact C-N 3.27Å; G84-Q86 PolarHBondContact O-N 3.09Å
85Y62.9Low77.6Confident227 Ų22797 Ų9789%0.8949%0.487SS*.G310 helixtrans-80.4-8.2179.5-155.1-97.6000112.9Y83Y83-Y85 PolarHBondContact O-N 3.14Å
86Q74.1Confident78Confident121 Ų12199.7 Ų99.757%0.56551%0.505SS*.G310 helixtrans-101.41.7-174.9-66.4-170.8-19.100115.5G84 F88 W89 D90G84-Q86 VanDerWaalsContact C-N 3.27Å; G84-Q86 PolarHBondContact O-N 3.09Å; Q86-F88 PolarHBondContact O-N 3.41Å; Q86-W89 PolarHBondContact O-N 3.48Å; Q86-D90 PolarHBondContact O-N 2.05Å
87V77.1Confident78.4Confident47 Ų47106.7 Ų106.729%0.28553%0.534SS..Hα-helixtrans-48.6-37.6-177.7174.20000113.3E91 W143V87-E91 WeakPolarHBondContact O-CB 3.28Å; V87-E91 PolarHBondContact O-N 2.97Å; V87-W143 HydrophobicContact CB-CE3 4.44Å; V87-W143 HydrophobicContact CG1-CB 4.05Å; V87-W143 HydrophobicContact CG1-CD2 4.27Å; V87-W143 HydrophobicContact CG1-CE3 3.83Å; V87-W143 HydrophobicContact CG1-CG 4.38Å; V87-W143 HydrophobicContact CG2-CE3 4.42Å
88F82.1Confident78.5Confident144 Ų144105.7 Ų105.763%0.63253%0.534SS*.Hα-helixtrans-61.7-45.3176.8174-96.7000113.2Q86 A92Q86-F88 PolarHBondContact O-N 3.41Å; F88-A92 WeakPolarHBondContact O-CB 3.1Å; F88-A92 PolarHBondContact O-N 3.03Å
89W85.5Confident79.1Confident156 Ų156101.2 Ų101.259%0.59151%0.514SS*.Hα-helixtrans-76.3-35.6-178.9-62.4111.7000111.4Q86 E91 A92 L93Q86-W89 PolarHBondContact O-N 3.48Å; W89-E91 VanDerWaalsContact C-N 3.28Å; W89-E91 PolarHBondContact O-N 3.29Å; W89-A92 PolarHBondContact O-N 2.84Å; W89-L93 HydrophobicContact CE3-CD1 4.25Å; W89-L93 WeakPolarHBondContact O-CB 3.48Å; W89-L93 WeakPolarHBondContact O-CD1 3.41Å; W89-L93 PolarHBondContact O-N 3.29Å
90D86.2Confident80.2Confident66 Ų66104.2 Ų104.235%0.35352%0.522SS..Hα-helixtrans-65.2-36.2177.8-58.8-34000111.4Q86 C94 W143Q86-D90 PolarHBondContact O-N 2.05Å; D90-C94 WeakPolarHBondContact O-CA 3.19Å; D90-C94 WeakPolarHBondContact O-CB 3.23Å; D90-C94 PolarHBondContact O-N 3.41Å; D90-W143 HydrophobicContact CB-CH2 3.19Å; D90-W143 HydrophobicContact CB-CZ2 3.51Å; D90-W143 HydrophobicContact CB-CZ3 3.76Å
91E86.3Confident81.3Confident69 Ų69101 Ų10132%0.32252%0.515SS..Hα-helixtrans-69.1-45.2170.4174.462.6160.500112V87 W89 L93 C94 W143V87-E91 WeakPolarHBondContact O-CB 3.28Å; V87-E91 PolarHBondContact O-N 2.97Å; W89-E91 VanDerWaalsContact C-N 3.28Å; W89-E91 PolarHBondContact O-N 3.29Å; E91-L93 PolarHBondContact O-N 3.15Å; E91-C94 WeakPolarHBondContact O-CB 3.39Å; E91-C94 PolarHBondContact O-N 3.11Å; E91-W143 HydrophobicContact CB-CD2 4.44Å; E91-W143 HydrophobicContact CB-CG 4.12Å; E91-W143 PolarHBondContact OE2-NE1 3.48Å
92A89.5Confident82.6Confident67 Ų6797.9 Ų97.955%0.55449%0.494SS*.Hα-helixtrans-67.7-31.3-177.900000114F88 W89F88-A92 WeakPolarHBondContact O-CB 3.1Å; F88-A92 PolarHBondContact O-N 3.03Å; W89-A92 PolarHBondContact O-N 2.84Å
93L90.7Very high84.3Confident139 Ų13995.5 Ų95.573%0.72848%0.484SS*.THydrogen-bonded Turntrans-10013.4178.1-80.180.4000112.7W89 E91 D95W89-L93 HydrophobicContact CE3-CD1 4.25Å; W89-L93 WeakPolarHBondContact O-CB 3.48Å; W89-L93 WeakPolarHBondContact O-CD1 3.41Å; W89-L93 PolarHBondContact O-N 3.29Å; E91-L93 PolarHBondContact O-N 3.15Å; L93-D95 PolarHBondContact O-N 3.41Å
94C91.2Very high86Confident27 Ų2792.4 Ų92.418%0.18248%0.475CS..  trans-62.6132.6-176.8165.80000112.4D90 E91 F99 C139D90-C94 WeakPolarHBondContact O-CA 3.19Å; D90-C94 WeakPolarHBondContact O-CB 3.23Å; D90-C94 PolarHBondContact O-N 3.41Å; E91-C94 WeakPolarHBondContact O-CB 3.39Å; E91-C94 PolarHBondContact O-N 3.11Å; C94-F99 VanDerWaalsContact SG-CE2 3.5Å; C94-C139 HydrophobicContact CB-CB 4.35Å; C94-C139 WeakPolarHBondContact CB-SG 3.48Å; C94-C139 WeakPolarHBondContact SG-CA 3.48Å; C94-C139 WeakPolarHBondContact SG-CB 3.19Å; C94-C139 CovalentContact SG-SG 2.02Å; C94-C139 PolarHBondContact SG-SG 3.13Å
95D92.5Very high87.7Confident78 Ų7895.2 Ų95.242%0.41748%0.48SS..  trans-100.7116.8172178.414.6000109.9L93 K97 S98L93-D95 PolarHBondContact O-N 3.41Å; D95-K97 PolarHBondContact O-N 2.78Å; D95-K97 VanDerWaalsContact O-N 3.11Å; D95-K97 WeakPolarHBondContact OD1-CB 3.21Å; D95-K97 PolarHBondContact OD1-N 3.07Å; D95-K97 VanDerWaalsContact OD1-N 3.07Å; D95-S98 PolarHBondContact O-N 3.29Å; D95-S98 VanDerWaalsContact O-N 3.12Å; D95-S98 PolarHBondContact O-OG 2.83Å
96P91.7Very high89.3Confident87 Ų8784.6 Ų84.657%0.56544%0.439SS*.Hα-helixtrans-60-26.3178.924.4-34.7000112.9S98 F99 E100P96-S98 VanDerWaalsContact C-N 3.34Å; P96-S98 PolarHBondContact O-N 3.44Å; P96-F99 PolarHBondContact O-N 3.11Å; P96-E100 PolarHBondContact O-N 3.33Å
97K92.3Very high90.3Very high158 Ų15881.1 Ų81.169%0.68742%0.423SS*.Hα-helixtrans-69.8-30.2179.4-62179-178.1175.50112.6D95 F99 E100D95-K97 PolarHBondContact O-N 2.78Å; D95-K97 VanDerWaalsContact O-N 3.11Å; D95-K97 WeakPolarHBondContact OD1-CB 3.21Å; D95-K97 PolarHBondContact OD1-N 3.07Å; D95-K97 VanDerWaalsContact OD1-N 3.07Å; K97-F99 PolarHBondContact O-N 2.96Å; K97-E100 PolarHBondContact O-N 2.82Å
98S88.1Confident91.1Very high62 Ų6282.5 Ų82.543%0.43443%0.429SS..Hα-helixtrans-68.4-28.2177.666.20000112D95 P96D95-S98 PolarHBondContact O-N 3.29Å; D95-S98 VanDerWaalsContact O-N 3.12Å; D95-S98 PolarHBondContact O-OG 2.83Å; P96-S98 VanDerWaalsContact C-N 3.34Å; P96-S98 PolarHBondContact O-N 3.44Å
99F91.4Very high91.7Very high20 Ų2076.1 Ų76.19%0.08840%0.401CS..Hα-helixtrans-78.9-23.3178.2-78-78000113.7C94 P96 K97 A101 I102 S103 Y142C94-F99 VanDerWaalsContact SG-CE2 3.5Å; P96-F99 PolarHBondContact O-N 3.11Å; K97-F99 PolarHBondContact O-N 2.96Å; F99-A101 VanDerWaalsContact C-N 3.32Å; F99-A101 PolarHBondContact O-N 2.92Å; F99-I102 PolarHBondContact O-N 3.06Å; F99-S103 WeakPolarHBondContact O-CB 3.46Å; F99-S103 PolarHBondContact O-N 3.5Å; F99-Y142 HydrophobicContact CD1-CD2 4.28Å; F99-Y142 HydrophobicContact CE1-CD1 4.11Å; F99-Y142 AromaticContact CE1-CD2 3.39Å; F99-Y142 HydrophobicContact CE1-CD2 3.39Å; F99-Y142 AromaticContact CE1-CE2 3.88Å; F99-Y142 HydrophobicContact CE1-CE2 3.88Å; F99-Y142 AromaticContact CE1-CG 3.49Å; F99-Y142 HydrophobicContact CE1-CG 3.49Å; F99-Y142 VanDerWaalsContact CE1-CG 3.49Å; F99-Y142 HydrophobicContact CZ-CD1 4.02Å; F99-Y142 HydrophobicContact CZ-CD2 4.14Å; F99-Y142 AromaticContact CZ-CG 3.78Å; F99-Y142 HydrophobicContact CZ-CG 3.78Å
100E92.2Very high92Very high136 Ų13669.2 Ų69.264%0.63638%0.376SS*.Hα-helixtrans-58.6-43.2179.2-171.9-176.8170.500111.9P96 K97 K104P96-E100 PolarHBondContact O-N 3.33Å; K97-E100 PolarHBondContact O-N 2.82Å; E100-K104 VanDerWaalsContact O-CB 3.22Å; E100-K104 WeakPolarHBondContact O-CB 3.4Å; E100-K104 PolarHBondContact O-N 3.07Å
101A92.5Very high92.3Very high69 Ų6969.4 Ų69.457%0.5738%0.376SS*.Hα-helixtrans-65.1-44.1179.500000112.1F99 Q105F99-A101 VanDerWaalsContact C-N 3.32Å; F99-A101 PolarHBondContact O-N 2.92Å; A101-Q105 WeakPolarHBondContact O-CB 3.4Å; A101-Q105 PolarHBondContact O-N 2.75Å
102I93.2Very high92.6Very high41 Ų4170.4 Ų70.421%0.2138%0.38CS..Hα-helixtrans-71.8-41.8-178-60.7168.3000110.4P70 L71 F99 Q105 C106 L137P70-I102 HydrophobicContact CB-CD1 4.11Å; L71-I102 HydrophobicContact CB-CG2 4.43Å; F99-I102 PolarHBondContact O-N 3.06Å; I102-Q105 WeakPolarHBondContact O-CB 3.22Å; I102-Q105 PolarHBondContact O-N 2.93Å; I102-C106 PolarHBondContact O-N 3.08Å; I102-L137 HydrophobicContact CG2-CD1 4.16Å; I102-L137 HydrophobicContact CG2-CD2 4.15Å
103S93.4Very high92.8Very high39 Ų3967.9 Ų67.927%0.27336%0.358SS..Hα-helixtrans-59.5-50174175.70000110.9F99 Q105 C106 E107F99-S103 WeakPolarHBondContact O-CB 3.46Å; F99-S103 PolarHBondContact O-N 3.5Å; S103-Q105 VanDerWaalsContact C-N 3.3Å; S103-Q105 PolarHBondContact O-N 2.85Å; S103-C106 WeakPolarHBondContact O-CA 3.49Å; S103-C106 VanDerWaalsContact O-CB 3.28Å; S103-C106 WeakPolarHBondContact O-CB 3.15Å; S103-C106 PolarHBondContact O-N 3.21Å; S103-E107 PolarHBondContact O-N 2.87Å; S103-E107 VanDerWaalsContact O-N 3.11Å
104K94.6Very high92.8Very high156 Ų15662.3 Ų62.368%0.67833%0.329SS*.Hα-helixtrans-61.6-37176.5-173.6176.5-177.2175.20112.9E100 C106 E107 D108E100-K104 VanDerWaalsContact O-CB 3.22Å; E100-K104 WeakPolarHBondContact O-CB 3.4Å; E100-K104 PolarHBondContact O-N 3.07Å; K104-C106 VanDerWaalsContact C-N 3.31Å; K104-E107 PolarHBondContact O-N 3.47Å; K104-D108 PolarHBondContact O-N 3.3Å; K104-D108 VanDerWaalsContact O-N 3.15Å
105Q95.2Very high92.4Very high90 Ų9064.6 Ų64.642%0.42134%0.343SS..Hα-helixtrans-63.9-38.3174.3-174.8-177.94.500111.4A101 I102 S103 D108 I109A101-Q105 WeakPolarHBondContact O-CB 3.4Å; A101-Q105 PolarHBondContact O-N 2.75Å; I102-Q105 WeakPolarHBondContact O-CB 3.22Å; I102-Q105 PolarHBondContact O-N 2.93Å; S103-Q105 VanDerWaalsContact C-N 3.3Å; S103-Q105 PolarHBondContact O-N 2.85Å; Q105-D108 PolarHBondContact O-N 3.4Å; Q105-I109 HydrophobicContact CG-CD1 3.91Å; Q105-I109 WeakPolarHBondContact O-CD1 3.37Å; Q105-I109 VanDerWaalsContact O-CG1 3.27Å; Q105-I109 WeakPolarHBondContact O-CG1 3.42Å; Q105-I109 PolarHBondContact O-N 2.98Å
106C95.9Very high91.8Very high5 Ų565.7 Ų65.73%0.03436%0.357CS..Hα-helixtrans-61.3-45.8174.8-170.50000112.1L71 I102 S103 K104 D108 I109 L110 C134 L137L71-C106 HydrophobicContact CD1-CB 3.8Å; L71-C106 HydrophobicContact CG-CB 4.05Å; I102-C106 PolarHBondContact O-N 3.08Å; S103-C106 WeakPolarHBondContact O-CA 3.49Å; S103-C106 VanDerWaalsContact O-CB 3.28Å; S103-C106 WeakPolarHBondContact O-CB 3.15Å; S103-C106 PolarHBondContact O-N 3.21Å; K104-C106 VanDerWaalsContact C-N 3.31Å; C106-D108 VanDerWaalsContact C-N 3.34Å; C106-D108 PolarHBondContact O-N 3.02Å; C106-I109 PolarHBondContact O-N 2.69Å; C106-L110 WeakPolarHBondContact O-CB 3.41Å; C106-L110 PolarHBondContact O-N 2.85Å; C106-C134 HydrophobicContact CB-CB 3.77Å; C106-C134 WeakPolarHBondContact CB-SG 3.47Å; C106-C134 WeakPolarHBondContact SG-CA 3.48Å; C106-C134 WeakPolarHBondContact SG-CB 3.39Å; C106-C134 CovalentContact SG-SG 2.05Å; C106-C134 PolarHBondContact SG-SG 3.16Å; C106-L137 HydrophobicContact CB-CD1 3.4Å
107E94Very high91Very high48 Ų4863 Ų6322%0.22435%0.345CS..Hα-helixtrans-56.3-47.3175.1-64.2-52.2130.700112.6S103 K104 I109 L110 N111 Q130 C134S103-E107 PolarHBondContact O-N 2.87Å; S103-E107 VanDerWaalsContact O-N 3.11Å; K104-E107 PolarHBondContact O-N 3.47Å; E107-I109 VanDerWaalsContact C-N 3.33Å; E107-I109 PolarHBondContact O-N 2.81Å; E107-L110 PolarHBondContact O-N 2.97Å; E107-N111 PolarHBondContact O-N 2.72Å; E107-N111 PolarHBondContact O-ND2 2.83Å; E107-Q130 VanDerWaalsContact CD-OE1 3.31Å; E107-Q130 PolarHBondContact OE1-NE2 3.04Å; E107-Q130 PolarHBondContact OE1-OE1 3Å; E107-Q130 VanDerWaalsContact OE1-OE1 3.05Å; E107-Q130 PolarHBondContact OE2-NE2 3.39Å; E107-Q130 PolarHBondContact OE2-OE1 3.46Å; E107-C134 WeakPolarHBondContact OE1-CB 3.14Å
108D94.3Very high90.2Very high75 Ų7563.6 Ų63.640%0.40136%0.356SS..Hα-helixtrans-62.2-42.3179.6179.457000111.5K104 Q105 C106 N111 K112K104-D108 PolarHBondContact O-N 3.3Å; K104-D108 VanDerWaalsContact O-N 3.15Å; Q105-D108 PolarHBondContact O-N 3.4Å; C106-D108 VanDerWaalsContact C-N 3.34Å; C106-D108 PolarHBondContact O-N 3.02Å; D108-N111 PolarHBondContact O-N 3.45Å; D108-K112 WeakPolarHBondContact O-CG 3.22Å; D108-K112 PolarHBondContact O-N 3.23Å; D108-K112 VanDerWaalsContact O-N 3.09Å; D108-K112 IonicContact OD1-NZ 3.8Å; D108-K112 VanDerWaalsContact OD2-CE 3.31Å; D108-K112 WeakPolarHBondContact OD2-CE 3.23Å; D108-K112 IonicContact OD2-NZ 2.65Å; D108-K112 PolarHBondContact OD2-NZ 3.5Å
109I94.3Very high90Very high10 Ų1066.1 Ų66.15%0.05136%0.364CS..Hα-helixtrans-65.5-43.2176.2-68.8164.6000110.9P6 F7 Y68 L71 Q105 C106 E107 N111 K112 C113P6-I109 HydrophobicContact CG-CB 4.44Å; P6-I109 HydrophobicContact CG-CG1 4.1Å; P6-I109 HydrophobicContact CG-CG2 3.68Å; F7-I109 HydrophobicContact CD2-CG2 3.93Å; F7-I109 HydrophobicContact CE2-CG2 3.46Å; F7-I109 VanDerWaalsContact CE2-CG2 3.46Å; F7-I109 HydrophobicContact CZ-CG2 4.07Å; Y68-I109 HydrophobicContact CD1-CD1 3.74Å; Y68-I109 HydrophobicContact CE1-CD1 3.53Å; L71-I109 HydrophobicContact CD1-CD1 3.49Å; L71-I109 VanDerWaalsContact CD1-CD1 3.49Å; Q105-I109 HydrophobicContact CG-CD1 3.91Å; Q105-I109 WeakPolarHBondContact O-CD1 3.37Å; Q105-I109 VanDerWaalsContact O-CG1 3.27Å; Q105-I109 WeakPolarHBondContact O-CG1 3.42Å; Q105-I109 PolarHBondContact O-N 2.98Å; C106-I109 PolarHBondContact O-N 2.69Å; E107-I109 VanDerWaalsContact C-N 3.33Å; E107-I109 PolarHBondContact O-N 2.81Å; I109-N111 VanDerWaalsContact C-N 3.31Å; I109-N111 PolarHBondContact O-N 2.99Å; I109-K112 WeakPolarHBondContact O-CB 3.49Å; I109-K112 PolarHBondContact O-N 2.92Å; I109-K112 VanDerWaalsContact O-N 3.14Å; I109-C113 PolarHBondContact O-N 2.84Å; I109-C113 PolarHBondContact O-SG 3.45Å
110L92.6Very high89.8Confident12 Ų1269 Ų696%0.06339%0.387CS..Hα-helixtrans-60.6-42.4178.5-173.664.8000111.1C106 E107 K112 C113 I114 R126 L129 Q130C106-L110 WeakPolarHBondContact O-CB 3.41Å; C106-L110 PolarHBondContact O-N 2.85Å; E107-L110 PolarHBondContact O-N 2.97Å; L110-K112 VanDerWaalsContact C-N 3.33Å; L110-K112 PolarHBondContact O-N 3.05Å; L110-C113 PolarHBondContact O-N 2.84Å; L110-I114 PolarHBondContact O-N 3.06Å; L110-R126 HydrophobicContact CD2-CG 4.02Å; L110-R126 HydrophobicContact CG-CG 4.2Å; L110-L129 HydrophobicContact CD1-CB 3.67Å; L110-L129 HydrophobicContact CD1-CD1 4.04Å; L110-Q130 HydrophobicContact CD2-CB 3.87Å
111N92Very high89.6Confident69 Ų6966.6 Ų66.637%0.36939%0.385SS..Hα-helixtrans-63.1-36.3175.4-69.4-32.8000112.9E107 D108 I109 I114 P115 R126E107-N111 PolarHBondContact O-N 2.72Å; E107-N111 PolarHBondContact O-ND2 2.83Å; D108-N111 PolarHBondContact O-N 3.45Å; I109-N111 VanDerWaalsContact C-N 3.31Å; I109-N111 PolarHBondContact O-N 2.99Å; N111-I114 CarbonylContact O-C 3.43Å; N111-P115 WeakPolarHBondContact O-CA 3.35Å; N111-R126 PolarHBondContact OD1-NH2 3.06Å
112K92.8Very high89.3Confident90 Ų9064.6 Ų64.639%0.39137%0.367SS..Hα-helixtrans-68.4-39174.4-72.6166.5178.8165.90111.8N2 D108 I109 L110N2-K112 VanDerWaalsContact CB-O 3.31Å; N2-K112 WeakPolarHBondContact CB-O 3.34Å; N2-K112 PolarHBondContact ND2-O 3.33Å; D108-K112 WeakPolarHBondContact O-CG 3.22Å; D108-K112 PolarHBondContact O-N 3.23Å; D108-K112 VanDerWaalsContact O-N 3.09Å; D108-K112 IonicContact OD1-NZ 3.8Å; D108-K112 VanDerWaalsContact OD2-CE 3.31Å; D108-K112 WeakPolarHBondContact OD2-CE 3.23Å; D108-K112 IonicContact OD2-NZ 2.65Å; D108-K112 PolarHBondContact OD2-NZ 3.5Å; I109-K112 WeakPolarHBondContact O-CB 3.49Å; I109-K112 PolarHBondContact O-N 2.92Å; I109-K112 VanDerWaalsContact O-N 3.14Å; L110-K112 VanDerWaalsContact C-N 3.33Å; L110-K112 PolarHBondContact O-N 3.05Å
113C93.2Very high89.1Confident15 Ų1565.5 Ų65.510%0.10137%0.374CS..Hα-helixtrans-78-41.8-175.3-65.10000113.7N2 C5 I109 L110N2-C113 WeakPolarHBondContact CB-O 3.33Å; N2-C113 PolarHBondContact N-O 3.22Å; C5-C113 VanDerWaalsContact CA-SG 3.6Å; C5-C113 HydrophobicContact CB-CB 3.77Å; C5-C113 WeakPolarHBondContact CB-SG 3.49Å; C5-C113 WeakPolarHBondContact SG-CB 3.35Å; C5-C113 CovalentContact SG-SG 2.03Å; C5-C113 PolarHBondContact SG-SG 3.19Å; I109-C113 PolarHBondContact O-N 2.84Å; I109-C113 PolarHBondContact O-SG 3.45Å; L110-C113 PolarHBondContact O-N 2.84Å
114I90.5Very high89Confident22 Ų2269.6 Ų69.611%0.11339%0.389CS..SBendtrans-128.485.3178.3-52.7176.4000106.9L110 N111 L125 R126 L129L110-I114 PolarHBondContact O-N 3.06Å; N111-I114 CarbonylContact O-C 3.43Å; I114-L125 HydrophobicContact CD1-CB 4.36Å; I114-L125 HydrophobicContact CD1-CD2 3.72Å; I114-L125 HydrophobicContact CD1-CG 3.67Å; I114-R126 HydrophobicContact CG2-CB 4.16Å; I114-L129 HydrophobicContact CD1-CD1 3.47Å; I114-L129 VanDerWaalsContact CD1-CD1 3.47Å
115P84.4Confident88.9Confident74 Ų7466.3 Ų66.348%0.48138%0.379SS..  trans-59.4144.117326.1-33000109N111 G117N111-P115 WeakPolarHBondContact O-CA 3.35Å; P115-G117 PolarHBondContact O-N 3.04Å
116S79.1Confident88.7Confident101 Ų10165 Ų6571%0.70637%0.37SS*.  trans-56.7100.7174.6-85.80000109.8
117G75.2Confident88.5Confident30 Ų3070.7 Ų70.731%0.30940%0.396SS..  trans-95.1166.7171.300000111P115 D119P115-G117 PolarHBondContact O-N 3.04Å; G117-D119 PolarHBondContact O-N 2.76Å
118N74.5Confident88.4Confident172 Ų17273.4 Ų73.492%0.9241%0.411SS*.SBendtrans-77.9-3.9174.7-70.2-6.6000112.8
119D84.7Confident88.3Confident115 Ų11572.4 Ų72.462%0.61541%0.406SS*.  trans-85.1126.7-174.8-58.1-38.1000111.2G117 S121 S122 T123G117-D119 PolarHBondContact O-N 2.76Å; D119-S121 PolarHBondContact O-N 2.78Å; D119-S122 WeakPolarHBondContact O-CB 2.86Å; D119-S122 PolarHBondContact O-N 3.24Å; D119-S122 PolarHBondContact O-OG 3.13Å; D119-T123 PolarHBondContact O-N 3.41Å
120S88Confident88.2Confident81 Ų8173.4 Ų73.457%0.56641%0.41SS*.Hα-helixtrans-57.3-33.4179.457.90000113.5T123 Q124S120-T123 WeakPolarHBondContact CA-OG1 3.18Å; S120-T123 PolarHBondContact O-N 3.06Å; S120-T123 PolarHBondContact O-OG1 3.22Å; S120-Q124 WeakPolarHBondContact O-CB 3.38Å; S120-Q124 VanDerWaalsContact O-CG 3.28Å; S120-Q124 WeakPolarHBondContact O-CG 3.4Å; S120-Q124 PolarHBondContact O-N 3.26Å
121S87.3Confident88.2Confident85 Ų8576.5 Ų76.559%0.59443%0.43SS*.Hα-helixtrans-67.9-36.8176.3-52.50000112.2D119 L125D119-S121 PolarHBondContact O-N 2.78Å; S121-L125 WeakPolarHBondContact O-CB 3.14Å; S121-L125 PolarHBondContact O-N 3.24Å
122S86.1Confident88.1Confident27 Ų2777 Ų7719%0.18944%0.435CS..Hα-helixtrans-68.4-38.6177.774.40000111.5D119 R126D119-S122 WeakPolarHBondContact O-CB 2.86Å; D119-S122 PolarHBondContact O-N 3.24Å; D119-S122 PolarHBondContact O-OG 3.13Å; S122-R126 VanDerWaalsContact O-CB 3.29Å; S122-R126 WeakPolarHBondContact O-CB 2.94Å; S122-R126 PolarHBondContact O-N 3.49Å
123T88.8Confident88.1Confident59 Ų5975.7 Ų75.736%0.36243%0.432SS..Hα-helixtrans-70.6-41.3178.458.50000111.8D119 S120 R126 Q127D119-T123 PolarHBondContact O-N 3.41Å; S120-T123 WeakPolarHBondContact CA-OG1 3.18Å; S120-T123 PolarHBondContact O-N 3.06Å; S120-T123 PolarHBondContact O-OG1 3.22Å; T123-R126 PolarHBondContact O-N 2.63Å; T123-Q127 WeakPolarHBondContact O-CB 3.25Å; T123-Q127 VanDerWaalsContact O-CG 3.32Å; T123-Q127 WeakPolarHBondContact O-CG 3.48Å; T123-Q127 PolarHBondContact O-N 2.02Å
124Q92.1Very high88.2Confident125 Ų12575.1 Ų75.158%0.58443%0.428SS*.Hα-helixtrans-61.6-47173.9-75.8176.7-12.300112.3S120 R126 Q127 L128S120-Q124 WeakPolarHBondContact O-CB 3.38Å; S120-Q124 VanDerWaalsContact O-CG 3.28Å; S120-Q124 WeakPolarHBondContact O-CG 3.4Å; S120-Q124 PolarHBondContact O-N 3.26Å; Q124-R126 VanDerWaalsContact C-N 3.33Å; Q124-R126 PolarHBondContact O-N 3.4Å; Q124-Q127 PolarHBondContact O-N 3Å; Q124-L128 WeakPolarHBondContact O-CB 3.43Å; Q124-L128 PolarHBondContact O-N 3.03Å
125L91Very high88.3Confident88 Ų8877.6 Ų77.646%0.46144%0.442SS..Hα-helixtrans-63.1-41177.8-179.462000111.5I114 S121 L128 L129I114-L125 HydrophobicContact CD1-CB 4.36Å; I114-L125 HydrophobicContact CD1-CD2 3.72Å; I114-L125 HydrophobicContact CD1-CG 3.67Å; S121-L125 WeakPolarHBondContact O-CB 3.14Å; S121-L125 PolarHBondContact O-N 3.24Å; L125-L128 PolarHBondContact O-N 3Å; L125-L129 HydrophobicContact CD1-CD1 4.19Å; L125-L129 HydrophobicContact CD1-CG 4.41Å; L125-L129 HydrophobicContact CG-CD1 4.12Å; L125-L129 WeakPolarHBondContact O-CG 3.34Å; L125-L129 PolarHBondContact O-N 2.99Å
126R91.1Very high88.7Confident63 Ų6375.7 Ų75.724%0.23843%0.426CS..Hα-helixtrans-61-46.9175.3-174.5175.6178.7-79.3-5.8111.2L110 N111 I114 S122 T123 Q124 L128 L129 Q130L110-R126 HydrophobicContact CD2-CG 4.02Å; L110-R126 HydrophobicContact CG-CG 4.2Å; N111-R126 PolarHBondContact OD1-NH2 3.06Å; I114-R126 HydrophobicContact CG2-CB 4.16Å; S122-R126 VanDerWaalsContact O-CB 3.29Å; S122-R126 WeakPolarHBondContact O-CB 2.94Å; S122-R126 PolarHBondContact O-N 3.49Å; T123-R126 PolarHBondContact O-N 2.63Å; Q124-R126 VanDerWaalsContact C-N 3.33Å; Q124-R126 PolarHBondContact O-N 3.4Å; R126-L128 VanDerWaalsContact C-N 3.34Å; R126-L128 PolarHBondContact O-N 2.58Å; R126-L129 PolarHBondContact O-N 3.23Å; R126-Q130 WeakPolarHBondContact O-CB 3.27Å; R126-Q130 PolarHBondContact O-N 3.38Å
127Q92.6Very high89.4Confident124 Ų12471 Ų7158%0.57939%0.394SS*.Hα-helixtrans-62.5-39.8177.6-75.6175.2-20.700112.6T123 Q124 Q130 T131T123-Q127 WeakPolarHBondContact O-CB 3.25Å; T123-Q127 VanDerWaalsContact O-CG 3.32Å; T123-Q127 WeakPolarHBondContact O-CG 3.48Å; T123-Q127 PolarHBondContact O-N 2.02Å; Q124-Q127 PolarHBondContact O-N 3Å; Q127-Q130 WeakPolarHBondContact O-CB 3.32Å; Q127-T131 WeakPolarHBondContact O-CB 3.46Å; Q127-T131 PolarHBondContact O-N 3.38Å; Q127-T131 PolarHBondContact O-OG1 3.39Å
128L92Very high90.2Very high104 Ų10471.4 Ų71.455%0.54539%0.391SS..Hα-helixtrans-61.3-52.5175.5178.264.2000110.9Q124 L125 R126 Q130 T131 T132Q124-L128 WeakPolarHBondContact O-CB 3.43Å; Q124-L128 PolarHBondContact O-N 3.03Å; L125-L128 PolarHBondContact O-N 3Å; R126-L128 VanDerWaalsContact C-N 3.34Å; R126-L128 PolarHBondContact O-N 2.58Å; L128-Q130 VanDerWaalsContact C-N 3.33Å; L128-Q130 PolarHBondContact O-N 3.17Å; L128-T131 PolarHBondContact O-N 2.96Å; L128-T132 VanDerWaalsContact O-CB 3.32Å; L128-T132 WeakPolarHBondContact O-CB 3.48Å; L128-T132 PolarHBondContact O-N 3.03Å; L128-T132 PolarHBondContact O-OG1 2.93Å; L128-T132 VanDerWaalsContact O-OG1 3.04Å
129L91.1Very high91Very high55 Ų5564.3 Ų64.329%0.28836%0.355SS..Hα-helixtrans-64.2-39.1-179.7-72.2168.1000112.2L110 I114 L125 R126 T131 L133L110-L129 HydrophobicContact CD1-CB 3.67Å; L110-L129 HydrophobicContact CD1-CD1 4.04Å; I114-L129 HydrophobicContact CD1-CD1 3.47Å; I114-L129 VanDerWaalsContact CD1-CD1 3.47Å; L125-L129 HydrophobicContact CD1-CD1 4.19Å; L125-L129 HydrophobicContact CD1-CG 4.41Å; L125-L129 HydrophobicContact CG-CD1 4.12Å; L125-L129 WeakPolarHBondContact O-CG 3.34Å; L125-L129 PolarHBondContact O-N 2.99Å; R126-L129 PolarHBondContact O-N 3.23Å; L129-T131 PolarHBondContact O-N 2.89Å; L129-L133 HydrophobicContact CB-CD1 4.47Å; L129-L133 HydrophobicContact CD2-CD1 3.73Å; L129-L133 HydrophobicContact CD2-CG 4.5Å; L129-L133 WeakPolarHBondContact O-CA 3.37Å; L129-L133 VanDerWaalsContact O-CB 3.22Å; L129-L133 WeakPolarHBondContact O-CB 3.29Å; L129-L133 PolarHBondContact O-N 3.24Å
130Q93.4Very high91.3Very high31 Ų3165.3 Ų65.315%0.14536%0.361CS..Hα-helixtrans-53.9-53.7172.8178.462.430.400111.3E107 L110 R126 Q127 L128 C134 D135E107-Q130 VanDerWaalsContact CD-OE1 3.31Å; E107-Q130 PolarHBondContact OE1-NE2 3.04Å; E107-Q130 PolarHBondContact OE1-OE1 3Å; E107-Q130 VanDerWaalsContact OE1-OE1 3.05Å; E107-Q130 PolarHBondContact OE2-NE2 3.39Å; E107-Q130 PolarHBondContact OE2-OE1 3.46Å; L110-Q130 HydrophobicContact CD2-CB 3.87Å; R126-Q130 WeakPolarHBondContact O-CB 3.27Å; R126-Q130 PolarHBondContact O-N 3.38Å; Q127-Q130 WeakPolarHBondContact O-CB 3.32Å; L128-Q130 VanDerWaalsContact C-N 3.33Å; L128-Q130 PolarHBondContact O-N 3.17Å; Q130-C134 PolarHBondContact O-N 3.02Å; Q130-D135 PolarHBondContact NE2-OD1 3.21Å; Q130-D135 PolarHBondContact O-N 2.74Å
131T91.9Very high91.4Very high76 Ų7668 Ų6847%0.46636%0.358SS..Hα-helixtrans-71-35.4-174.4-48.80000112.1Q127 L128 L129 Q136Q127-T131 WeakPolarHBondContact O-CB 3.46Å; Q127-T131 PolarHBondContact O-N 3.38Å; Q127-T131 PolarHBondContact O-OG1 3.39Å; L128-T131 PolarHBondContact O-N 2.96Å; L129-T131 PolarHBondContact O-N 2.89Å; T131-Q136 PolarHBondContact O-NE2 3Å; T131-Q136 VanDerWaalsContact O-NE2 3.13Å
132T90.5Very high91.5Very high79 Ų7964.7 Ų64.749%0.48533%0.333SS..Hα-helixtrans-86.4-27.8-176.4-57.30000113.4L128 Q136L128-T132 VanDerWaalsContact O-CB 3.32Å; L128-T132 WeakPolarHBondContact O-CB 3.48Å; L128-T132 PolarHBondContact O-N 3.03Å; L128-T132 PolarHBondContact O-OG1 2.93Å; L128-T132 VanDerWaalsContact O-OG1 3.04Å; T132-Q136 WeakPolarHBondContact O-CG 3.11Å
133L92.1Very high91.6Very high64 Ų6465.6 Ų65.634%0.33533%0.332SS..THydrogen-bonded Turntrans-110.1-66.5-177.8-58.4174.6000111.5L129 Q136L129-L133 HydrophobicContact CB-CD1 4.47Å; L129-L133 HydrophobicContact CD2-CD1 3.73Å; L129-L133 HydrophobicContact CD2-CG 4.5Å; L129-L133 WeakPolarHBondContact O-CA 3.37Å; L129-L133 VanDerWaalsContact O-CB 3.22Å; L129-L133 WeakPolarHBondContact O-CB 3.29Å; L129-L133 PolarHBondContact O-N 3.24Å; L133-Q136 WeakPolarHBondContact O-CB 3.46Å; L133-Q136 PolarHBondContact O-N 3.31Å
134C94.5Very high91.4Very high2 Ų267.7 Ų67.71%0.01434%0.34CS..G310 helixtrans-71.1-38.8-168.2-55.80000112.9C106 E107 Q130 Q136 L137C106-C134 HydrophobicContact CB-CB 3.77Å; C106-C134 WeakPolarHBondContact CB-SG 3.47Å; C106-C134 WeakPolarHBondContact SG-CA 3.48Å; C106-C134 WeakPolarHBondContact SG-CB 3.39Å; C106-C134 CovalentContact SG-SG 2.05Å; C106-C134 PolarHBondContact SG-SG 3.16Å; E107-C134 WeakPolarHBondContact OE1-CB 3.14Å; Q130-C134 PolarHBondContact O-N 3.02Å; C134-Q136 PolarHBondContact O-N 3.48Å; C134-L137 WeakPolarHBondContact O-CB 3.41Å; C134-L137 PolarHBondContact O-N 3.21Å
135D93.1Very high90.8Very high74 Ų7465.8 Ų65.840%0.39633%0.333SS..G310 helixtrans-67.9-19176.9-68.4-0.5000112.7Q130 L137 S138Q130-D135 PolarHBondContact NE2-OD1 3.21Å; Q130-D135 PolarHBondContact O-N 2.74Å; D135-L137 VanDerWaalsContact C-N 3.26Å; D135-S138 PolarHBondContact O-OG 3.14Å
136Q92.5Very high90Very high34 Ų3464.8 Ų64.816%0.15933%0.332CS..G310 helixtrans-78.7-9.6174-53.4-57-53.200112.5T131 T132 L133 C134 S138 R141 Y142T131-Q136 PolarHBondContact O-NE2 3Å; T131-Q136 VanDerWaalsContact O-NE2 3.13Å; T132-Q136 WeakPolarHBondContact O-CG 3.11Å; L133-Q136 WeakPolarHBondContact O-CB 3.46Å; L133-Q136 PolarHBondContact O-N 3.31Å; C134-Q136 PolarHBondContact O-N 3.48Å; Q136-S138 PolarHBondContact O-N 3.38Å; Q136-R141 CarbonylContact O-C 3.57Å; Q136-Y142 VanDerWaalsContact O-CA 3.23Å; Q136-Y142 WeakPolarHBondContact O-CA 3.32Å; Q136-Y142 PolarHBondContact O-N 2.91Å
137L93.8Very high88.9Confident4 Ų469.2 Ų69.22%0.02136%0.361CS..  trans-85.556.2179.2-58.8168.9000110.8L71 R73 I102 C106 C134 D135 Y142L71-L137 HydrophobicContact CG-CD1 4.19Å; R73-L137 HydrophobicContact CG-CD2 4.28Å; I102-L137 HydrophobicContact CG2-CD1 4.16Å; I102-L137 HydrophobicContact CG2-CD2 4.15Å; C106-L137 HydrophobicContact CB-CD1 3.4Å; C134-L137 WeakPolarHBondContact O-CB 3.41Å; C134-L137 PolarHBondContact O-N 3.21Å; D135-L137 VanDerWaalsContact C-N 3.26Å; L137-Y142 HydrophobicContact CD2-CD2 3.99Å; L137-Y142 HydrophobicContact CD2-CE2 4Å
138S93.2Very high87.4Confident37 Ų3766.3 Ų66.326%0.25935%0.354SS..SBendtrans-135.7152.8175.553.90000109.2D135 Q136 D140 R141 Y142D135-S138 PolarHBondContact O-OG 3.14Å; Q136-S138 PolarHBondContact O-N 3.38Å; S138-D140 VanDerWaalsContact C-N 3.32Å; S138-D140 PolarHBondContact O-N 3.12Å; S138-R141 PolarHBondContact O-N 2.67Å; S138-Y142 VanDerWaalsContact O-CB 3.22Å; S138-Y142 WeakPolarHBondContact O-CB 3.49Å; S138-Y142 PolarHBondContact O-N 2.73Å
139C91.8Very high85.2Confident23 Ų2370.1 Ų70.116%0.15537%0.369CS..Hα-helixtrans-43.9-57.4-179.2-160.70000112.1C94 R141C94-C139 HydrophobicContact CB-CB 4.35Å; C94-C139 WeakPolarHBondContact CB-SG 3.48Å; C94-C139 WeakPolarHBondContact SG-CA 3.48Å; C94-C139 WeakPolarHBondContact SG-CB 3.19Å; C94-C139 CovalentContact SG-SG 2.02Å; C94-C139 PolarHBondContact SG-SG 3.13Å; C139-R141 VanDerWaalsContact C-N 3.25Å; C139-R141 PolarHBondContact O-N 3.13Å; C139-R141 VanDerWaalsContact O-N 3.13Å
140D89.6Confident83.4Confident137 Ų13773.1 Ų73.173%0.73338%0.384SS*.Hα-helixtrans-67.1-19.6-174.5-48-60.6000114.7S138S138-D140 VanDerWaalsContact C-N 3.32Å; S138-D140 PolarHBondContact O-N 3.12Å
141R89.9Confident81.6Confident136 Ų13680.7 Ų80.751%0.51342%0.419SS..Hα-helixtrans-116.3-18.2-173.5-61.4-174-176.9-79.9-1.7113.6Q136 S138 C139 W143 I144Q136-R141 CarbonylContact O-C 3.57Å; S138-R141 PolarHBondContact O-N 2.67Å; C139-R141 VanDerWaalsContact C-N 3.25Å; C139-R141 PolarHBondContact O-N 3.13Å; C139-R141 VanDerWaalsContact O-N 3.13Å; R141-W143 PolarHBondContact O-N 3.43Å; R141-W143 VanDerWaalsContact O-N 3.13Å; R141-I144 WeakPolarHBondContact O-CG2 3.47Å; R141-I144 PolarHBondContact O-N 2.92Å; R141-I144 VanDerWaalsContact O-N 3.14Å
142Y90.7Very high79.8Confident16 Ų1680.6 Ų80.66%0.06342%0.418CS..Hα-helixtrans-60.5-31.6-173.2-177.4-95.6000112.4P70 R73 V76 F99 Q136 L137 S138P70-Y142 WeakPolarHBondContact O-CE2 3.23Å; P70-Y142 PolarHBondContact O-OH 2.94Å; R73-Y142 HydrophobicContact CB-CE2 4.28Å; R73-Y142 HydrophobicContact CG-CD2 3.84Å; R73-Y142 HydrophobicContact CG-CE2 3.53Å; R73-Y142 PolarHBondContact NE-O 3.27Å; R73-Y142 PolarHBondContact NH2-O 3.01Å; V76-Y142 HydrophobicContact CG2-CD1 4.09Å; V76-Y142 HydrophobicContact CG2-CE1 3.79Å; F99-Y142 HydrophobicContact CD1-CD2 4.28Å; F99-Y142 HydrophobicContact CE1-CD1 4.11Å; F99-Y142 AromaticContact CE1-CD2 3.39Å; F99-Y142 HydrophobicContact CE1-CD2 3.39Å; F99-Y142 AromaticContact CE1-CE2 3.88Å; F99-Y142 HydrophobicContact CE1-CE2 3.88Å; F99-Y142 AromaticContact CE1-CG 3.49Å; F99-Y142 HydrophobicContact CE1-CG 3.49Å; F99-Y142 VanDerWaalsContact CE1-CG 3.49Å; F99-Y142 HydrophobicContact CZ-CD1 4.02Å; F99-Y142 HydrophobicContact CZ-CD2 4.14Å; F99-Y142 AromaticContact CZ-CG 3.78Å; F99-Y142 HydrophobicContact CZ-CG 3.78Å; Q136-Y142 VanDerWaalsContact O-CA 3.23Å; Q136-Y142 WeakPolarHBondContact O-CA 3.32Å; Q136-Y142 PolarHBondContact O-N 2.91Å; L137-Y142 HydrophobicContact CD2-CD2 3.99Å; L137-Y142 HydrophobicContact CD2-CE2 4Å; S138-Y142 VanDerWaalsContact O-CB 3.22Å; S138-Y142 WeakPolarHBondContact O-CB 3.49Å; S138-Y142 PolarHBondContact O-N 2.73Å
143W87.7Confident78.5Confident46 Ų4679.3 Ų79.317%0.17441%0.413CS..THydrogen-bonded Turntrans-94.1-3.1-176.7-43.194.5000114.1V76 V87 D90 E91 R141 L145V76-W143 HydrophobicContact CG2-CE3 3.71Å; V76-W143 HydrophobicContact CG2-CZ3 4.15Å; V87-W143 HydrophobicContact CB-CE3 4.44Å; V87-W143 HydrophobicContact CG1-CB 4.05Å; V87-W143 HydrophobicContact CG1-CD2 4.27Å; V87-W143 HydrophobicContact CG1-CE3 3.83Å; V87-W143 HydrophobicContact CG1-CG 4.38Å; V87-W143 HydrophobicContact CG2-CE3 4.42Å; D90-W143 HydrophobicContact CB-CH2 3.19Å; D90-W143 HydrophobicContact CB-CZ2 3.51Å; D90-W143 HydrophobicContact CB-CZ3 3.76Å; E91-W143 HydrophobicContact CB-CD2 4.44Å; E91-W143 HydrophobicContact CB-CG 4.12Å; E91-W143 PolarHBondContact OE2-NE1 3.48Å; R141-W143 PolarHBondContact O-N 3.43Å; R141-W143 VanDerWaalsContact O-N 3.13Å; W143-L145 PolarHBondContact O-N 2.86Å; W143-L145 VanDerWaalsContact O-N 3.12Å
144I84.8Confident77.8Confident104 Ų10481.8 Ų81.853%0.53343%0.431SS..  trans-74.5106.5-178.7-161.668.4000110.1R73 R141R73-I144 PolarHBondContact NH2-O 2.62Å; R141-I144 WeakPolarHBondContact O-CG2 3.47Å; R141-I144 PolarHBondContact O-N 2.92Å; R141-I144 VanDerWaalsContact O-N 3.14Å
145L79.1Confident77.2Confident84 Ų8487.8 Ų87.844%0.4446%0.462SS..  trans-62.8127.3175.2-161.170.7000108.1V76 L77 W143 D147V76-L145 HydrophobicContact CG1-CD1 4.28Å; V76-L145 VanDerWaalsContact O-CD1 3.27Å; V76-L145 WeakPolarHBondContact O-CD1 3.4Å; L77-L145 HydrophobicContact CD2-CD1 3.95Å; W143-L145 PolarHBondContact O-N 2.86Å; W143-L145 VanDerWaalsContact O-N 3.12Å; L145-D147 PolarHBondContact O-N 3.5Å
146P73.9Confident76.9Confident67 Ų6789.7 Ų89.744%0.43547%0.468SS..  trans-57.1146169.625.7-32.5000107.8L77 S148L77-P146 VanDerWaalsContact CD2-CD 3.49Å; L77-P146 HydrophobicContact CD2-CG 3.7Å; P146-S148 PolarHBondContact O-N 2.88Å
147D68.4Low76.6Confident157 Ų15795 Ų9584%0.8449%0.491SS*.  trans-62.178.7171.4-72.1-32.2000108.7L145 H149L145-D147 PolarHBondContact O-N 3.5Å; D147-H149 PolarHBondContact O-N 2.8Å
148S61.7Low76.5Confident63 Ų6398.7 Ų98.744%0.44151%0.513SS..  trans-71.6115.4166.754.30000104.1P146 I150P146-S148 PolarHBondContact O-N 2.88Å; S148-I150 PolarHBondContact O-N 3.02Å; S148-I150 VanDerWaalsContact OG-CD1 3.23Å; S148-I150 WeakPolarHBondContact OG-CD1 3.46Å; S148-I150 WeakPolarHBondContact OG-CG1 3.28Å
149H46.5Very low76.6Confident184 Ų184101.5 Ų101.585%0.85253%0.525SS*.  trans-64.165167.3-72.2-83000109.1D147 Q151D147-H149 PolarHBondContact O-N 2.8Å; H149-Q151 VanDerWaalsContact C-N 3.33Å; H149-Q151 PolarHBondContact O-N 3.01Å
150I53.3Low76.8Confident117 Ų117103.9 Ų103.960%0.654%0.539SS*.  trans-72.599168.4-64.6167.4000104.5S148 T152S148-I150 PolarHBondContact O-N 3.02Å; S148-I150 VanDerWaalsContact OG-CD1 3.23Å; S148-I150 WeakPolarHBondContact OG-CD1 3.46Å; S148-I150 WeakPolarHBondContact OG-CG1 3.28Å; I150-T152 HydrophobicContact CG2-CG2 4.33Å; I150-T152 PolarHBondContact O-N 2.67Å
151Q53.7Low77.1Confident190 Ų19099.8 Ų99.889%0.88852%0.524SS*.  trans-61.525.2-179.1-90.9-174.3-20.700114.9H149 S153H149-Q151 VanDerWaalsContact C-N 3.33Å; H149-Q151 PolarHBondContact O-N 3.01Å; Q151-S153 VanDerWaalsContact C-N 3.26Å; Q151-S153 PolarHBondContact O-N 3.15Å
152T55.2Low77.4Confident74 Ų7497.3 Ų97.345%0.45452%0.524SS..  trans-78.590.1159.861.30000106.5I150 V154I150-T152 HydrophobicContact CG2-CG2 4.33Å; I150-T152 PolarHBondContact O-N 2.67Å; T152-V154 PolarHBondContact O-N 3.24Å; T152-V154 VanDerWaalsContact O-N 3.15Å
153S64Low77.6Confident53 Ų53101.6 Ų101.637%0.37155%0.547SS..  trans-53.4127.9-173.9760000108.9Q151 L155 E156 K157Q151-S153 VanDerWaalsContact C-N 3.26Å; Q151-S153 PolarHBondContact O-N 3.15Å; S153-L155 PolarHBondContact O-N 3.36Å; S153-E156 WeakPolarHBondContact O-CB 3.3Å; S153-E156 PolarHBondContact O-N 3.43Å; S153-E156 WeakPolarHBondContact OG-CB 3.45Å; S153-E156 PolarHBondContact OG-N 3.04Å; S153-K157 PolarHBondContact O-N 3.02Å
154V75.7Confident78.1Confident116 Ų116104.8 Ų104.870%0.70357%0.567SS**Hα-helixtrans-48.9-32.6170.5179.50000109.7T152 E156 K157 V158T152-V154 PolarHBondContact O-N 3.24Å; T152-V154 VanDerWaalsContact O-N 3.15Å; V154-E156 PolarHBondContact O-N 3.43Å; V154-K157 PolarHBondContact O-N 3.39Å; V154-V158 HydrophobicContact CG1-CG2 4.09Å; V154-V158 WeakPolarHBondContact O-CB 3.4Å; V154-V158 WeakPolarHBondContact O-CG2 3.32Å; V154-V158 PolarHBondContact O-N 2.84Å
155L82.4Confident78.7Confident128 Ų128103.6 Ų103.667%0.6757%0.565SS**Hα-helixtrans-55.5-44.7172.7-174.5148.1000113.6S153 V158 L159S153-L155 PolarHBondContact O-N 3.36Å; L155-V158 PolarHBondContact O-N 3Å; L155-L159 WeakPolarHBondContact O-CB 3.4Å; L155-L159 PolarHBondContact O-N 3.47Å
156E86.2Confident79.5Confident113 Ų113101.6 Ų101.653%0.52856%0.56SS.*Hα-helixtrans-61.2-49.9177.9-174.2-179.2175.800110.5S153 V154 V158 L159 T160S153-E156 WeakPolarHBondContact O-CB 3.3Å; S153-E156 PolarHBondContact O-N 3.43Å; S153-E156 WeakPolarHBondContact OG-CB 3.45Å; S153-E156 PolarHBondContact OG-N 3.04Å; V154-E156 PolarHBondContact O-N 3.43Å; E156-V158 PolarHBondContact O-N 3.27Å; E156-L159 PolarHBondContact O-N 3.22Å; E156-T160 PolarHBondContact O-N 3.34Å; E156-T160 PolarHBondContact O-OG1 2.96Å
157K86.6Confident80.6Confident145 Ų145100.3 Ų100.363%0.6356%0.559SS**Hα-helixtrans-62.3-42.8179-64.3-170.8-179.9-177.10112.1S153 V154 T160 A161S153-K157 PolarHBondContact O-N 3.02Å; V154-K157 PolarHBondContact O-N 3.39Å; K157-T160 PolarHBondContact O-N 3.5Å; K157-A161 WeakPolarHBondContact O-CB 3.47Å; K157-A161 PolarHBondContact O-N 2.84Å
158V93.1Very high82Confident82 Ų8297.4 Ų97.450%0.49754%0.543SS..Hα-helixtrans-63.3-44.2176.6170.20000110.6V154 L155 E156 A161 V162V154-V158 HydrophobicContact CG1-CG2 4.09Å; V154-V158 WeakPolarHBondContact O-CB 3.4Å; V154-V158 WeakPolarHBondContact O-CG2 3.32Å; V154-V158 PolarHBondContact O-N 2.84Å; L155-V158 PolarHBondContact O-N 3Å; E156-V158 PolarHBondContact O-N 3.27Å; V158-A161 PolarHBondContact O-N 3.47Å; V158-V162 HydrophobicContact CG1-CG2 4.33Å; V158-V162 VanDerWaalsContact O-CG2 3.29Å; V158-V162 WeakPolarHBondContact O-CG2 3.19Å; V158-V162 PolarHBondContact O-N 2.91Å
159L95.1Very high83.6Confident97 Ų97100.4 Ų100.451%0.50855%0.553SS.*Hα-helixtrans-62.4-45.7178.6-176.368.8000111.2L155 E156 A161 V162 I163L155-L159 WeakPolarHBondContact O-CB 3.4Å; L155-L159 PolarHBondContact O-N 3.47Å; E156-L159 PolarHBondContact O-N 3.22Å; L159-A161 VanDerWaalsContact C-N 3.33Å; L159-A161 PolarHBondContact O-N 3.43Å; L159-V162 PolarHBondContact O-N 2.82Å; L159-I163 HydrophobicContact CD1-CD1 4.24Å; L159-I163 HydrophobicContact CG-CD1 3.9Å; L159-I163 VanDerWaalsContact O-CG1 3.27Å; L159-I163 WeakPolarHBondContact O-CG1 3.21Å; L159-I163 PolarHBondContact O-N 2.91Å
160T94.6Very high86Confident72 Ų7296.9 Ų96.944%0.44254%0.54SS..Hα-helixtrans-59.8-44176.2-40.70000111.2E156 K157 I163 L164E156-T160 PolarHBondContact O-N 3.34Å; E156-T160 PolarHBondContact O-OG1 2.96Å; K157-T160 PolarHBondContact O-N 3.5Å; T160-I163 PolarHBondContact O-N 3.42Å; T160-L164 HydrophobicContact CG2-CD1 4.31Å; T160-L164 VanDerWaalsContact O-CG 3.3Å; T160-L164 WeakPolarHBondContact O-CG 3.29Å; T160-L164 PolarHBondContact O-N 2.91Å
161A95.7Very high88Confident52 Ų5298 Ų9843%0.4354%0.537SS..Hα-helixtrans-63.8-42.3177.900000112.8K157 V158 L159 L164 T165K157-A161 WeakPolarHBondContact O-CB 3.47Å; K157-A161 PolarHBondContact O-N 2.84Å; V158-A161 PolarHBondContact O-N 3.47Å; L159-A161 VanDerWaalsContact C-N 3.33Å; L159-A161 PolarHBondContact O-N 3.43Å; A161-L164 PolarHBondContact O-N 3.36Å; A161-T165 WeakPolarHBondContact O-CB 3.46Å; A161-T165 VanDerWaalsContact O-CG2 3.32Å; A161-T165 WeakPolarHBondContact O-CG2 3.41Å; A161-T165 PolarHBondContact O-N 2.82Å; A161-T165 PolarHBondContact O-OG1 3.01Å
162V96.5Very high90Very high83 Ų8395.9 Ų95.950%0.50352%0.522SS..Hα-helixtrans-63.8-42.3176.7171.30000111.4V158 L159 T165 A166V158-V162 HydrophobicContact CG1-CG2 4.33Å; V158-V162 VanDerWaalsContact O-CG2 3.29Å; V158-V162 WeakPolarHBondContact O-CG2 3.19Å; V158-V162 PolarHBondContact O-N 2.91Å; L159-V162 PolarHBondContact O-N 2.82Å; V162-T165 WeakPolarHBondContact CA-OG1 3.26Å; V162-T165 PolarHBondContact O-OG1 2.97Å; V162-A166 VanDerWaalsContact O-CB 3.25Å; V162-A166 WeakPolarHBondContact O-CB 3.46Å; V162-A166 PolarHBondContact O-N 2.85Å
163I96.5Very high91.9Very high107 Ų10795.3 Ų95.355%0.54952%0.521SS..Hα-helixtrans-63.6-45177.8-68.8166.7000110.9L159 T160 G167L159-I163 HydrophobicContact CD1-CD1 4.24Å; L159-I163 HydrophobicContact CG-CD1 3.9Å; L159-I163 VanDerWaalsContact O-CG1 3.27Å; L159-I163 WeakPolarHBondContact O-CG1 3.21Å; L159-I163 PolarHBondContact O-N 2.91Å; T160-I163 PolarHBondContact O-N 3.42Å; I163-G167 PolarHBondContact O-N 3.38Å
164L97Very high93.4Very high113 Ų11396.1 Ų96.159%0.59252%0.524SS*.Hα-helixtrans-64.5-45.2179.4-70.7173.8000112.1T160 A161 G167 L168T160-L164 HydrophobicContact CG2-CD1 4.31Å; T160-L164 VanDerWaalsContact O-CG 3.3Å; T160-L164 WeakPolarHBondContact O-CG 3.29Å; T160-L164 PolarHBondContact O-N 2.91Å; A161-L164 PolarHBondContact O-N 3.36Å; L164-G167 PolarHBondContact O-N 2.88Å; L164-L168 WeakPolarHBondContact O-CG 3.29Å; L164-L168 PolarHBondContact O-N 3.38Å
165T96.9Very high94.2Very high79 Ų7994 Ų9449%0.48551%0.508SS..Hα-helixtrans-64.7-43.8177.8500000112.1A161 V162 G167 L168 L169A161-T165 WeakPolarHBondContact O-CB 3.46Å; A161-T165 VanDerWaalsContact O-CG2 3.32Å; A161-T165 WeakPolarHBondContact O-CG2 3.41Å; A161-T165 PolarHBondContact O-N 2.82Å; A161-T165 PolarHBondContact O-OG1 3.01Å; V162-T165 WeakPolarHBondContact CA-OG1 3.26Å; V162-T165 PolarHBondContact O-OG1 2.97Å; T165-G167 PolarHBondContact O-N 3.11Å; T165-L168 PolarHBondContact O-N 3.42Å; T165-L169 WeakPolarHBondContact O-CG 3.27Å; T165-L169 PolarHBondContact O-N 2.93Å
166A96.8Very high94.8Very high42 Ų4294.7 Ų94.735%0.34751%0.505SS..Hα-helixtrans-61.6-43.3174.600000111.8V162 L168 L169 I170V162-A166 VanDerWaalsContact O-CB 3.25Å; V162-A166 WeakPolarHBondContact O-CB 3.46Å; V162-A166 PolarHBondContact O-N 2.85Å; A166-L168 VanDerWaalsContact C-N 3.34Å; A166-L168 PolarHBondContact O-N 3.47Å; A166-L169 PolarHBondContact O-N 3.22Å; A166-I170 VanDerWaalsContact O-CG1 3.29Å; A166-I170 WeakPolarHBondContact O-CG1 3.39Å; A166-I170 PolarHBondContact O-N 3.36Å
167G97Very high95Very high40 Ų4095.2 Ų95.241%0.41251%0.51SS..Hα-helixtrans-58.7-42.7175.600000112.8I163 L164 T165 I170 Y171I163-G167 PolarHBondContact O-N 3.38Å; L164-G167 PolarHBondContact O-N 2.88Å; T165-G167 PolarHBondContact O-N 3.11Å; G167-I170 PolarHBondContact O-N 3.5Å; G167-Y171 WeakPolarHBondContact O-CB 3.35Å; G167-Y171 PolarHBondContact O-N 3.44Å
168L97Very high95.1Very high95 Ų9596.9 Ų96.950%0.49751%0.512SS..Hα-helixtrans-64.8-44.6175.1-72173.2000112.1L164 T165 A166 I170 Y171 Y172L164-L168 WeakPolarHBondContact O-CG 3.29Å; L164-L168 PolarHBondContact O-N 3.38Å; T165-L168 PolarHBondContact O-N 3.42Å; A166-L168 VanDerWaalsContact C-N 3.34Å; A166-L168 PolarHBondContact O-N 3.47Å; L168-I170 VanDerWaalsContact C-N 3.33Å; L168-I170 PolarHBondContact O-N 3.23Å; L168-Y171 WeakPolarHBondContact O-CB 3.39Å; L168-Y171 PolarHBondContact O-N 3.49Å; L168-Y172 HydrophobicContact CB-CD2 4.46Å; L168-Y172 HydrophobicContact CB-CE2 4.37Å; L168-Y172 HydrophobicContact CD2-CE2 4.37Å; L168-Y172 WeakPolarHBondContact O-CD2 3.06Å; L168-Y172 PolarHBondContact O-N 3.31Å
169L96.5Very high94.8Very high126 Ų12697.2 Ų97.266%0.6651%0.51SS*.Hα-helixtrans-61.1-42.7177.7-70.5175.1000111.9T165 A166 Y172 S173T165-L169 WeakPolarHBondContact O-CG 3.27Å; T165-L169 PolarHBondContact O-N 2.93Å; A166-L169 PolarHBondContact O-N 3.22Å; L169-Y172 PolarHBondContact O-N 3.26Å; L169-S173 WeakPolarHBondContact O-CB 3.25Å; L169-S173 PolarHBondContact O-N 3.49Å; L169-S173 PolarHBondContact O-OG 2.96Å
170I96.1Very high94.4Very high111 Ų11194.9 Ų94.957%0.56950%0.502SS*.Hα-helixtrans-61.3-48.8175.3-67.6166.3000109.7A166 G167 L168 Y172 S173 V174A166-I170 VanDerWaalsContact O-CG1 3.29Å; A166-I170 WeakPolarHBondContact O-CG1 3.39Å; A166-I170 PolarHBondContact O-N 3.36Å; G167-I170 PolarHBondContact O-N 3.5Å; L168-I170 VanDerWaalsContact C-N 3.33Å; L168-I170 PolarHBondContact O-N 3.23Å; I170-Y172 PolarHBondContact O-N 2.91Å; I170-S173 PolarHBondContact O-N 2.97Å; I170-S173 PolarHBondContact O-OG 2.94Å; I170-V174 WeakPolarHBondContact O-CG2 3.46Å; I170-V174 PolarHBondContact O-N 2.96Å
171Y96.1Very high93.5Very high139 Ų13993.9 Ų93.955%0.54550%0.498SS..Hα-helixtrans-55.6-49.4178.3174.8-103.3000112.6G167 L168 S173 V174 I175G167-Y171 WeakPolarHBondContact O-CB 3.35Å; G167-Y171 PolarHBondContact O-N 3.44Å; L168-Y171 WeakPolarHBondContact O-CB 3.39Å; L168-Y171 PolarHBondContact O-N 3.49Å; Y171-S173 PolarHBondContact O-N 2.96Å; Y171-V174 PolarHBondContact O-N 3.43Å; Y171-I175 HydrophobicContact CD1-CD1 3.94Å; Y171-I175 HydrophobicContact CD2-CD1 4.41Å; Y171-I175 HydrophobicContact CE1-CD1 3.36Å; Y171-I175 HydrophobicContact CE2-CD1 3.89Å; Y171-I175 HydrophobicContact CG-CD1 4.44Å; Y171-I175 PolarHBondContact O-N 2.94Å; Y171-I175 VanDerWaalsContact O-N 3.11Å
172Y96.1Very high92.2Very high147 Ų14794.4 Ų94.458%0.57650%0.499SS*.Hα-helixtrans-67.5-35.8179-73.7-65.7000112.9L168 L169 I170 V174 I175 F176L168-Y172 HydrophobicContact CB-CD2 4.46Å; L168-Y172 HydrophobicContact CB-CE2 4.37Å; L168-Y172 HydrophobicContact CD2-CE2 4.37Å; L168-Y172 WeakPolarHBondContact O-CD2 3.06Å; L168-Y172 PolarHBondContact O-N 3.31Å; L169-Y172 PolarHBondContact O-N 3.26Å; I170-Y172 PolarHBondContact O-N 2.91Å; Y172-V174 PolarHBondContact O-N 3.32Å; Y172-I175 PolarHBondContact O-N 3Å; Y172-F176 WeakPolarHBondContact O-CB 3.38Å; Y172-F176 PolarHBondContact O-N 2.87Å
173S94.4Very high90.7Very high62 Ų6296.6 Ų96.643%0.43450%0.502SS..Hα-helixtrans-64.3-39.4175.873.80000112.2L169 I170 Y171 F176 M177L169-S173 WeakPolarHBondContact O-CB 3.25Å; L169-S173 PolarHBondContact O-N 3.49Å; L169-S173 PolarHBondContact O-OG 2.96Å; I170-S173 PolarHBondContact O-N 2.97Å; I170-S173 PolarHBondContact O-OG 2.94Å; Y171-S173 PolarHBondContact O-N 2.96Å; S173-F176 PolarHBondContact O-N 2.72Å; S173-M177 WeakPolarHBondContact O-CB 3.34Å; S173-M177 VanDerWaalsContact O-CG 3.23Å; S173-M177 WeakPolarHBondContact O-CG 3.37Å; S173-M177 PolarHBondContact O-N 3.34Å
174V94.3Very high88.9Confident69 Ų6995 Ų9542%0.41850%0.499SS..Hα-helixtrans-66.4-42.6176.2173.10000111.1I170 Y171 Y172 M177 R178I170-V174 WeakPolarHBondContact O-CG2 3.46Å; I170-V174 PolarHBondContact O-N 2.96Å; Y171-V174 PolarHBondContact O-N 3.43Å; Y172-V174 PolarHBondContact O-N 3.32Å; V174-M177 PolarHBondContact O-N 3.2Å; V174-R178 WeakPolarHBondContact O-CG 3.12Å; V174-R178 PolarHBondContact O-N 2.98Å
175I93.3Very high86.9Confident72 Ų7298.7 Ų98.737%0.36951%0.505SS..Hα-helixtrans-61.1-47174.4-70.7174.8000110.4Y171 Y172 M177 R178 L179Y171-I175 HydrophobicContact CD1-CD1 3.94Å; Y171-I175 HydrophobicContact CD2-CD1 4.41Å; Y171-I175 HydrophobicContact CE1-CD1 3.36Å; Y171-I175 HydrophobicContact CE2-CD1 3.89Å; Y171-I175 HydrophobicContact CG-CD1 4.44Å; Y171-I175 PolarHBondContact O-N 2.94Å; Y171-I175 VanDerWaalsContact O-N 3.11Å; Y172-I175 PolarHBondContact O-N 3Å; I175-M177 VanDerWaalsContact C-N 3.31Å; I175-M177 PolarHBondContact O-N 3.42Å; I175-R178 PolarHBondContact O-N 3.09Å; I175-L179 VanDerWaalsContact O-CB 3.26Å; I175-L179 WeakPolarHBondContact O-CB 3.27Å; I175-L179 PolarHBondContact O-N 3.44Å
176F94.1Very high84.9Confident142 Ų142100.8 Ų100.862%0.62351%0.513SS*.Hα-helixtrans-59.7-41.5178.5-177.3-98.2000111.9Y172 S173 L179 S180Y172-F176 WeakPolarHBondContact O-CB 3.38Å; Y172-F176 PolarHBondContact O-N 2.87Å; S173-F176 PolarHBondContact O-N 2.72Å; F176-L179 PolarHBondContact O-N 2.75Å; F176-S180 VanDerWaalsContact O-CB 3.25Å; F176-S180 WeakPolarHBondContact O-CB 3.41Å; F176-S180 PolarHBondContact O-N 3.5Å; F176-S180 PolarHBondContact O-OG 3.42Å
177M91.4Very high82.6Confident125 Ų125107.7 Ų107.762%0.61653%0.53SS*.Hα-helixtrans-67.4-38.4176.3-70.8-64.6-75.800112.9S173 V174 I175 S180 S181S173-M177 WeakPolarHBondContact O-CB 3.34Å; S173-M177 VanDerWaalsContact O-CG 3.23Å; S173-M177 WeakPolarHBondContact O-CG 3.37Å; S173-M177 PolarHBondContact O-N 3.34Å; V174-M177 PolarHBondContact O-N 3.2Å; I175-M177 VanDerWaalsContact C-N 3.31Å; I175-M177 PolarHBondContact O-N 3.42Å; M177-S180 WeakPolarHBondContact CA-OG 3.42Å; M177-S180 PolarHBondContact O-OG 3Å; M177-S180 VanDerWaalsContact O-OG 3.1Å; M177-S181 VanDerWaalsContact O-CB 3.27Å; M177-S181 WeakPolarHBondContact O-CB 3.39Å; M177-S181 PolarHBondContact O-N 2.94Å; M177-S181 PolarHBondContact O-OG 2.92Å
178R88.9Confident80.4Confident180 Ų180111.2 Ų111.268%0.67954%0.538SS*.Hα-helixtrans-68.5-39.1174.2-75.8-173.7179.8-169.51.8112.1V174 I175 S181 S182V174-R178 WeakPolarHBondContact O-CG 3.12Å; V174-R178 PolarHBondContact O-N 2.98Å; I175-R178 PolarHBondContact O-N 3.09Å; R178-S181 WeakPolarHBondContact CA-OG 3.26Å; R178-S181 PolarHBondContact O-OG 3.05Å; R178-S182 WeakPolarHBondContact O-CB 3.25Å; R178-S182 PolarHBondContact O-N 3.5Å; R178-S182 PolarHBondContact O-OG 3.24Å
179L86.8Confident78.1Confident88 Ų88111.2 Ų111.246%0.46155%0.546SS..Hα-helixtrans-70.1-45.5178.6-173.261000110.9I175 F176 S181 S182 F183I175-L179 VanDerWaalsContact O-CB 3.26Å; I175-L179 WeakPolarHBondContact O-CB 3.27Å; I175-L179 PolarHBondContact O-N 3.44Å; F176-L179 PolarHBondContact O-N 2.75Å; L179-S181 PolarHBondContact O-N 3.1Å; L179-S182 PolarHBondContact O-N 2.75Å; L179-F183 HydrophobicContact CD1-CD2 3.86Å; L179-F183 HydrophobicContact CD1-CE2 3.34Å; L179-F183 HydrophobicContact CD1-CZ 4.11Å; L179-F183 HydrophobicContact CD2-CE2 3.94Å; L179-F183 HydrophobicContact CG-CD2 3.7Å; L179-F183 HydrophobicContact CG-CE2 3.39Å; L179-F183 WeakPolarHBondContact O-CD2 3.46Å; L179-F183 PolarHBondContact O-N 3.08Å
180S85.5Confident75.9Confident48 Ų48109.3 Ų109.334%0.33654%0.543SS..Hα-helixtrans-65.1-38.717766.10000112.5F176 M177 F183 C184F176-S180 VanDerWaalsContact O-CB 3.25Å; F176-S180 WeakPolarHBondContact O-CB 3.41Å; F176-S180 PolarHBondContact O-N 3.5Å; F176-S180 PolarHBondContact O-OG 3.42Å; M177-S180 WeakPolarHBondContact CA-OG 3.42Å; M177-S180 PolarHBondContact O-OG 3Å; M177-S180 VanDerWaalsContact O-OG 3.1Å; S180-F183 PolarHBondContact O-N 2.83Å; S180-C184 VanDerWaalsContact O-CB 3.26Å; S180-C184 WeakPolarHBondContact O-CB 3.23Å; S180-C184 PolarHBondContact O-N 2.99Å
181S77.2Confident73.4Confident52 Ų52110.6 Ų110.636%0.36455%0.551SS.*Hα-helixtrans-67.9-34173.157.10000112.6M177 R178 L179 C184 R185M177-S181 VanDerWaalsContact O-CB 3.27Å; M177-S181 WeakPolarHBondContact O-CB 3.39Å; M177-S181 PolarHBondContact O-N 2.94Å; M177-S181 PolarHBondContact O-OG 2.92Å; R178-S181 WeakPolarHBondContact CA-OG 3.26Å; R178-S181 PolarHBondContact O-OG 3.05Å; L179-S181 PolarHBondContact O-N 3.1Å; S181-C184 PolarHBondContact O-N 3.36Å; S181-R185 WeakPolarHBondContact O-CG 3.39Å; S181-R185 PolarHBondContact O-N 3.34Å
182S68.6Low70.8Confident63 Ų63108.6 Ų108.644%0.44156%0.557SS.*Hα-helixtrans-68.8-42.4173.5-58.40000112R178 L179 C184 R185 L186R178-S182 WeakPolarHBondContact O-CB 3.25Å; R178-S182 PolarHBondContact O-N 3.5Å; R178-S182 PolarHBondContact O-OG 3.24Å; L179-S182 PolarHBondContact O-N 2.75Å; S182-C184 VanDerWaalsContact C-N 3.34Å; S182-R185 PolarHBondContact O-N 3.4Å; S182-L186 PolarHBondContact O-N 3.45Å; S182-L186 VanDerWaalsContact O-N 3.09Å
183F64.1Low68.1Low129 Ų129107.8 Ų107.857%0.56657%0.567SS**Hα-helixtrans-65.5-35.3172.4-78.4-63000112.6L179 S180 L186 R187L179-F183 HydrophobicContact CD1-CD2 3.86Å; L179-F183 HydrophobicContact CD1-CE2 3.34Å; L179-F183 HydrophobicContact CD1-CZ 4.11Å; L179-F183 HydrophobicContact CD2-CE2 3.94Å; L179-F183 HydrophobicContact CG-CD2 3.7Å; L179-F183 HydrophobicContact CG-CE2 3.39Å; L179-F183 WeakPolarHBondContact O-CD2 3.46Å; L179-F183 PolarHBondContact O-N 3.08Å; S180-F183 PolarHBondContact O-N 2.83Å; F183-L186 PolarHBondContact O-N 3.21Å; F183-R187 PolarHBondContact O-N 3Å; F183-R187 VanDerWaalsContact O-N 3.08Å
184C58.3Low65.4Low74 Ų74110.1 Ų110.150%0.558%0.581SS.*Hα-helixtrans-69.5-37.4175.5-155.80000111.5S180 S181 S182 R187 I188S180-C184 VanDerWaalsContact O-CB 3.26Å; S180-C184 WeakPolarHBondContact O-CB 3.23Å; S180-C184 PolarHBondContact O-N 2.99Å; S181-C184 PolarHBondContact O-N 3.36Å; S182-C184 VanDerWaalsContact C-N 3.34Å; C184-R187 PolarHBondContact O-N 2.82Å; C184-I188 WeakPolarHBondContact O-CG1 3.45Å; C184-I188 PolarHBondContact O-N 3.48Å
185R55.9Low62.8Low190 Ų190119.2 Ų119.272%0.71761%0.608SS**Hα-helixtrans-62.6-42.1172-75.7-170.4-145.8-112.54.6112.3S181 S182 R187 I188S181-R185 WeakPolarHBondContact O-CG 3.39Å; S181-R185 PolarHBondContact O-N 3.34Å; S182-R185 PolarHBondContact O-N 3.4Å; R185-R187 VanDerWaalsContact C-N 3.32Å; R185-R187 PolarHBondContact O-N 3.3Å; R185-I188 PolarHBondContact O-N 3.41Å
186L54.2Low60.3Low123 Ų123121.1 Ų121.164%0.64463%0.627SS**Hα-helixtrans-64.7-34.8176.9-78.2162.2000112.6S182 F183 S189S182-L186 PolarHBondContact O-N 3.45Å; S182-L186 VanDerWaalsContact O-N 3.09Å; F183-L186 PolarHBondContact O-N 3.21Å; L186-S189 PolarHBondContact O-N 3.44Å
187R48.4Very low57.8Low186 Ų186119 Ų11970%0.70263%0.63SS**Hα-helixtrans-74.3-26180-156.7176.7-165178.24.9113.7F183 C184 R185 S189 S190F183-R187 PolarHBondContact O-N 3Å; F183-R187 VanDerWaalsContact O-N 3.08Å; C184-R187 PolarHBondContact O-N 2.82Å; R185-R187 VanDerWaalsContact C-N 3.32Å; R185-R187 PolarHBondContact O-N 3.3Å; R187-S189 VanDerWaalsContact C-N 3.31Å; R187-S190 PolarHBondContact O-N 3.2Å; R187-S190 PolarHBondContact O-OG 3.49Å
188I50.9Low55.2Low115 Ų115123.4 Ų123.459%0.5965%0.646SS**Hα-helixtrans-70.4-30.3177-69.7164.8000111.1C184 R185 S190 L191C184-I188 WeakPolarHBondContact O-CG1 3.45Å; C184-I188 PolarHBondContact O-N 3.48Å; R185-I188 PolarHBondContact O-N 3.41Å; I188-S190 VanDerWaalsContact C-N 3.27Å; I188-S190 PolarHBondContact O-N 3.32Å; I188-L191 PolarHBondContact O-N 2.95Å
189S49.2Very low52.8Low95 Ų95124.7 Ų124.766%0.66466%0.656SS**THydrogen-bonded Turntrans-67.8-21.5178.6-56.40000114.1L186 R187L186-S189 PolarHBondContact O-N 3.44Å; R187-S189 VanDerWaalsContact C-N 3.31Å
190S49.5Very low50.7Low85 Ų85124.4 Ų124.459%0.59467%0.667SS**THydrogen-bonded Turntrans-94.8-117964.20000114.3R187 I188R187-S190 PolarHBondContact O-N 3.2Å; R187-S190 PolarHBondContact O-OG 3.49Å; I188-S190 VanDerWaalsContact C-N 3.27Å; I188-S190 PolarHBondContact O-N 3.32Å
191L45.2Very low48.6Very low139 Ų139131.1 Ų131.173%0.72869%0.69SS**  trans-114.439.6-178.8-81150.4000111.8I188I188-L191 PolarHBondContact O-N 2.95Å
192S39.6Very low46.8Very low97 Ų97140.1 Ų140.168%0.67872%0.716SS**  trans-113.755.1160.855.80000110.4
193V40.9Very low45.7Very low130 Ų130142.3 Ų142.379%0.78873%0.731SS**  trans-85.2118.9161.71780000107.9
194P37.6Very low44.9Very low111 Ų111145.8 Ų145.872%0.72174%0.742SS**  trans-62.9138.4-171-20.731.1000113.3S196P194-S196 PolarHBondContact O-N 2.83Å
195R40Very low44.4Very low260 Ų260152.2 Ų152.298%0.98176%0.758SS**SBendtrans-67.169.4174.9-171.8-179.6-178.2167.3-0.2111.1
196S40.8Very low43.7Very low111 Ų111149.3 Ų149.378%0.77676%0.761SS**  trans-142.367.6170.8-171.50000110.9P194P194-S196 PolarHBondContact O-N 2.83Å
197S40.7Very low43Very low99 Ų99151.3 Ų151.369%0.69277%0.772SS**  trans-158.46.8167.4-170.90000114.6K199S197-K199 PolarHBondContact O-N 3.12Å; S197-K199 VanDerWaalsContact O-N 3.12Å
198K38Very low43.1Very low216 Ų216155.7 Ų155.794%0.93980%0.797SS**THydrogen-bonded Turntrans-7814.3175.4-83-166.9178.1-174.60114.9
199K38.3Very low42.7Very low207 Ų207157.8 Ų157.890%0.981%0.807SS**THydrogen-bonded Turntrans-99.9-7.6174.5-88.2-173177.7-177.60115.3S197S197-K199 PolarHBondContact O-N 3.12Å; S197-K199 VanDerWaalsContact O-N 3.12Å
200A41.6Very low42.4Very low83 Ų83161.1 Ų161.169%0.68681%0.814SS**SBendtrans-94-18.4-177.100000115.2R202A200-R202 PolarHBondContact O-N 3.49Å
201F41.2Very low42Very low188 Ų188165.3 Ų165.383%0.82583%0.827SS**G310 helixtrans-86.2-7.2-171.9-158.4-103.9000115.1
202R40.6Very low41.8Very low242 Ų242166.8 Ų166.891%0.91383%0.833SS**G310 helixtrans-92.34.7-176.3-152.9172.7-179.6179.10114.7A200A200-R202 PolarHBondContact O-N 3.49Å
203S45.5Very low41.9Very low108 Ų108171.2 Ų171.276%0.75584%0.842SS**G310 helixtrans-100.43.3-178.9-161.50000115.3
204Y47.4Very low42Very low203 Ų203173.9 Ų173.980%0.79685%0.846SS**SBendtrans-1032.9-174.1-162.9-102.3000115.5
205Y46.5Very low42.3Very low209 Ų209178.4 Ų178.482%0.8286%0.855SS**SBendtrans-128.257.6-179.4-92.5-86.3000112.2
206T42.1Very low42.5Very low129 Ų129172.2 Ų172.279%0.79185%0.845SS**  trans-154.275.1157.749.20000108
207D40.2Very low42.6Very low165 Ų165177.3 Ų177.388%0.88285%0.851SS**  trans-152.685.1157.8-139.4-18000109.7
208K49.5Very low42.8Very low278 Ų278184.4 Ų184.4100%1.20987%0.865SS**  trans-161.60151.6-110.5-169.9-171.7-173.60108.8

Retrieved 208 of 208 residues in 101.4 ms (Link to these results)

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