A0A077Z7L5_TRITR Loading...

Dual specificity protein phosphatase 22

AlphaFold DB , UniProt , Accession A0A077Z7L5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 142 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
1M57.7Low91.2Very high241 Ų24165.4 Ų65.4100%1.18730%0.299SS*.  0128.40-166.3171.1-161.600107.4Y3M1-Y3 PolarHBondContact O-N 3.31Å
2F72.3Confident91.5Very high192 Ų19266.8 Ų66.884%0.84231%0.311SS*.  trans-71.4124179.8-63.4-74.5000109.7I4F2-I4 PolarHBondContact O-N 3.08Å
3Y90.5Very high91.7Very high175 Ų17577.4 Ų77.469%0.68635%0.347SS*.  trans-74.4112.7175.4173.3-111.2000109.7M1 S56M1-Y3 PolarHBondContact O-N 3.31Å; Y3-S56 VanDerWaalsContact O-CB 3.32Å; Y3-S56 WeakPolarHBondContact O-CB 3.46Å
4I96.6Very high92Very high53 Ų5372.1 Ų72.127%0.27232%0.324SS..  trans-87.4112.6174.5-63.9163.8000107.9F2 H6 I7 R21 L58F2-I4 PolarHBondContact O-N 3.08Å; I4-H6 WeakPolarHBondContact CG2-O 3.23Å; I4-I7 HydrophobicContact CG2-CG1 4.24Å; I4-R21 WeakPolarHBondContact O-CD 3.46Å; I4-L58 HydrophobicContact CD1-CB 4.08Å; I4-L58 HydrophobicContact CD1-CD2 4.32Å; I4-L58 HydrophobicContact CG1-CB 4.48Å; I4-L58 HydrophobicContact CG2-CB 3.71Å
5S97.1Very high92.3Very high15 Ų1576.3 Ų76.311%0.10534%0.341CS..  trans-94.1-21.9178.255.80000113.4R21 Q22 G55 S56S5-R21 WeakPolarHBondContact O-CB 3.38Å; S5-Q22 PolarHBondContact O-N 3.41Å; S5-Q22 VanDerWaalsContact O-N 3.13Å; S5-G55 WeakPolarHBondContact OG-CA 3.28Å; S5-S56 PolarHBondContact N-O 2.91Å; S5-S56 PolarHBondContact OG-N 3.37Å; S5-S56 PolarHBondContact OG-O 3.2Å
6H98.2Very high92.5Very high14 Ų1478.6 Ų78.67%0.06536%0.357CS..EExtended strand (participates in β ladder)trans-134.2147.8-176.3-62.768000111.5I4 Q22 F46 A50 S56 V57 L58I4-H6 WeakPolarHBondContact CG2-O 3.23Å; H6-Q22 CarbonylContact C-O 3.48Å; H6-Q22 WeakPolarHBondContact CA-O 3.44Å; H6-Q22 VanDerWaalsContact CD2-CB 3.42Å; H6-Q22 WeakPolarHBondContact CD2-CB 3.22Å; H6-Q22 PolarHBondContact NE2-NE2 3.2Å; H6-Q22 VanDerWaalsContact NE2-NE2 3.16Å; H6-Q22 PolarHBondContact NE2-OE1 3.33Å; H6-F46 HydrophobicContact CB-CE1 3.77Å; H6-F46 HydrophobicContact CB-CZ 3.92Å; H6-F46 AromaticContact CD2-CZ 3.7Å; H6-A50 HydrophobicContact CB-CB 4.18Å; H6-S56 PolarHBondContact N-O 2.8Å; H6-V57 HydrophobicContact CB-CB 4.37Å; H6-V57 HydrophobicContact CB-CG1 4.06Å; H6-V57 HydrophobicContact CB-CG2 4.07Å; H6-V57 WeakPolarHBondContact O-CA 3.41Å; H6-L58 PolarHBondContact O-N 3.05Å
7I98.2Very high92.4Very high6 Ų680 Ų803%0.03136%0.363CS..EExtended strand (participates in β ladder)trans-130.9133.4176.4-48.2173.6000110.2I4 R21 Q22 Q23 L24 L58I4-I7 HydrophobicContact CG2-CG1 4.24Å; I7-R21 HydrophobicContact CD1-CB 4.5Å; I7-R21 HydrophobicContact CG1-CB 4.5Å; I7-Q22 PolarHBondContact N-O 3.28Å; I7-Q23 HydrophobicContact CB-CG 4.18Å; I7-Q23 HydrophobicContact CD1-CG 4.37Å; I7-Q23 HydrophobicContact CG1-CG 4.5Å; I7-Q23 CarbonylContact O-C 3.3Å; I7-Q23 VanDerWaalsContact O-CA 3.32Å; I7-Q23 WeakPolarHBondContact O-CA 3.45Å; I7-L24 PolarHBondContact O-N 3.45Å; I7-L58 CarbonylContact C-O 3.51Å; I7-L58 WeakPolarHBondContact CA-O 3.42Å; I7-L58 HydrophobicContact CG2-CB 4.46Å; I7-L58 HydrophobicContact CG2-CD2 4.36Å; I7-L58 HydrophobicContact CG2-CG 4.46Å
8V98.6Very high92.3Very high0 Ų085.4 Ų85.40%040%0.395CS..EExtended strand (participates in β ladder)trans-111112167-169.40000108.3I10 L24 V26 V43 F46 I47 V57 L58 V59 H60V8-I10 HydrophobicContact CG1-CD1 3.98Å; V8-I10 HydrophobicContact CG1-CG1 3.83Å; V8-L24 CarbonylContact C-O 3.6Å; V8-L24 WeakPolarHBondContact CA-O 3.32Å; V8-L24 HydrophobicContact CG1-CB 4.42Å; V8-L24 HydrophobicContact CG1-CD2 4.27Å; V8-L24 HydrophobicContact CG1-CG 4.35Å; V8-L24 HydrophobicContact CG2-CB 4.42Å; V8-V26 HydrophobicContact CG1-CG2 4.45Å; V8-V43 HydrophobicContact CG1-CG1 4.15Å; V8-V43 HydrophobicContact CG1-CG2 4.34Å; V8-F46 HydrophobicContact CG2-CD1 3.48Å; V8-F46 VanDerWaalsContact CG2-CD1 3.48Å; V8-F46 HydrophobicContact CG2-CE1 3.59Å; V8-I47 HydrophobicContact CG2-CG1 4.34Å; V8-V57 HydrophobicContact CG2-CG1 3.85Å; V8-L58 PolarHBondContact N-O 3.15Å; V8-V59 HydrophobicContact CB-CB 4.49Å; V8-V59 HydrophobicContact CB-CG1 4.23Å; V8-V59 HydrophobicContact CB-CG2 4.24Å; V8-V59 HydrophobicContact CG2-CG2 4.2Å; V8-H60 PolarHBondContact O-CD2 3.08Å; V8-H60 PolarHBondContact O-N 3.39Å
9S98.4Very high92.4Very high0 Ų083.9 Ų83.90%039%0.39CS..EExtended strand (participates in β ladder)trans-102.8112.3-179.4-57.80000110.6L24 V26 H60S9-L24 PolarHBondContact N-O 3.27Å; S9-V26 PolarHBondContact O-N 3.2Å; S9-H60 WeakPolarHBondContact CB-NE2 3.3Å; S9-H60 PolarHBondContact OG-NE2 3.05Å
10I98.3Very high92.5Very high0 Ų083.5 Ų83.50%041%0.41CS..EExtended strand (participates in β ladder)trans-116.483.1-170.2-53.2152.2000110.1V8 V26 I28 V59 H60 C61 R67 F71V8-I10 HydrophobicContact CG1-CD1 3.98Å; V8-I10 HydrophobicContact CG1-CG1 3.83Å; I10-V26 CarbonylContact C-O 3.57Å; I10-V26 VanDerWaalsContact CA-O 3.27Å; I10-V26 WeakPolarHBondContact CA-O 3.33Å; I10-V26 HydrophobicContact CB-CB 4.47Å; I10-V26 HydrophobicContact CG1-CB 4.13Å; I10-V26 HydrophobicContact CG1-CG2 4.42Å; I10-V26 HydrophobicContact CG2-CB 4.23Å; I10-V26 HydrophobicContact CG2-CG1 4.32Å; I10-I28 HydrophobicContact CG2-CG2 3.53Å; I10-V59 HydrophobicContact CD1-CG1 3.5Å; I10-H60 WeakPolarHBondContact CB-O 3.28Å; I10-H60 PolarHBondContact N-O 3.32Å; I10-C61 HydrophobicContact CB-CB 4.38Å; I10-C61 VanDerWaalsContact O-CA 3.27Å; I10-C61 WeakPolarHBondContact O-CA 3.13Å; I10-C61 WeakPolarHBondContact O-CB 3.27Å; I10-R67 HydrophobicContact CG2-CB 3.78Å; I10-R67 HydrophobicContact CG2-CG 4.36Å; I10-F71 HydrophobicContact CD1-CB 4.19Å; I10-F71 HydrophobicContact CD1-CD2 3.46Å; I10-F71 VanDerWaalsContact CD1-CD2 3.46Å; I10-F71 HydrophobicContact CD1-CE2 4.08Å; I10-F71 HydrophobicContact CD1-CG 4.05Å; I10-F71 HydrophobicContact CG1-CD2 4.11Å; I10-F71 HydrophobicContact CG1-CE2 4.24Å; I10-F71 HydrophobicContact CG2-CD2 4.02Å; I10-F71 HydrophobicContact CG2-CE2 3.66Å
11H97.6Very high92.6Very high23 Ų2383.7 Ų83.711%0.10641%0.406CS..SBendtrans-168.9163173.354.595.4000111.6R13 A14 V26 H60 M62H11-R13 PolarHBondContact CE1-O 3.42Å; H11-R13 VanDerWaalsContact ND1-C 3.27Å; H11-R13 PolarHBondContact ND1-N 3.23Å; H11-R13 PolarHBondContact O-N 2.81Å; H11-R13 VanDerWaalsContact O-N 3.09Å; H11-A14 WeakPolarHBondContact CE1-CA 3.04Å; H11-A14 PolarHBondContact CE1-N 3.24Å; H11-A14 VanDerWaalsContact CE1-N 3.28Å; H11-A14 PolarHBondContact ND1-N 3.43Å; H11-A14 VanDerWaalsContact ND1-N 3.15Å; H11-A14 WeakPolarHBondContact O-CB 3.25Å; H11-A14 PolarHBondContact O-N 3.45Å; H11-V26 PolarHBondContact N-O 2.93Å; H11-H60 AromaticContact NE2-CE1 3.61Å; H11-M62 HydrophobicContact CB-CE 4.45Å
12D94.3Very high94.6Very high82 Ų8277.9 Ų77.944%0.43938%0.376SS..THydrogen-bonded Turntrans-57.5-30.3-175.9-46.4-66.5000113.3S29 R67D12-S29 WeakPolarHBondContact OD1-CA 3.48Å; D12-S29 VanDerWaalsContact OD1-CB 3.23Å; D12-S29 WeakPolarHBondContact OD1-CB 3.18Å; D12-S29 PolarHBondContact OD1-N 3.44Å; D12-R67 IonicContact OD2-NH1 2.99Å; D12-R67 PolarHBondContact OD2-NH1 3.16Å
13R94.9Very high95.8Very high205 Ų20570.4 Ų70.477%0.77434%0.344SS*.THydrogen-bonded Turntrans-97.515178.9-57.5-177.2-176.8171.1-0114H11 K15H11-R13 PolarHBondContact CE1-O 3.42Å; H11-R13 VanDerWaalsContact ND1-C 3.27Å; H11-R13 PolarHBondContact ND1-N 3.23Å; H11-R13 PolarHBondContact O-N 2.81Å; H11-R13 VanDerWaalsContact O-N 3.09Å; R13-K15 PolarHBondContact O-N 3.32Å
14A95.6Very high96.2Very high4 Ų462.7 Ų62.73%0.03332%0.315CS..  trans-62.1132.8-177.700000110H11 L25 K27H11-A14 WeakPolarHBondContact CE1-CA 3.04Å; H11-A14 PolarHBondContact CE1-N 3.24Å; H11-A14 VanDerWaalsContact CE1-N 3.28Å; H11-A14 PolarHBondContact ND1-N 3.43Å; H11-A14 VanDerWaalsContact ND1-N 3.15Å; H11-A14 WeakPolarHBondContact O-CB 3.25Å; H11-A14 PolarHBondContact O-N 3.45Å; A14-L25 HydrophobicContact CB-CB 4.3Å; A14-L25 HydrophobicContact CB-CD2 4.15Å; A14-K27 HydrophobicContact CB-CG 4.41Å; A14-K27 VanDerWaalsContact O-CE 3.28Å; A14-K27 WeakPolarHBondContact O-CE 3.32Å
15K95.9Very high96.3Very high134 Ų13462.5 Ų62.558%0.58331%0.314SS*.  trans-140151.7-179.563.2177.7-178.6175.50109.6R13 F17R13-K15 PolarHBondContact O-N 3.32Å; K15-F17 HydrophobicContact CD-CE1 4.42Å; K15-F17 HydrophobicContact CD-CZ 4.48Å; K15-F17 HydrophobicContact CG-CE1 4.23Å; K15-F17 HydrophobicContact CG-CE2 4.27Å; K15-F17 HydrophobicContact CG-CZ 3.9Å; K15-F17 WeakPolarHBondContact O-CD2 3.42Å; K15-F17 VanDerWaalsContact O-CE2 3.27Å; K15-F17 WeakPolarHBondContact O-CE2 3.2Å
16L95.5Very high96.3Very high114 Ų11462.1 Ų62.160%0.59731%0.311SS*.  trans-72.5147.9172.8-64.9174.8000109.6Q23 L25L16-Q23 HydrophobicContact CD2-CB 3.59Å; L16-L25 HydrophobicContact CD2-CD1 4.07Å; L16-L25 HydrophobicContact CD2-CD2 4.03Å; L16-L25 HydrophobicContact CD2-CG 3.86Å; L16-L25 HydrophobicContact CG-CD1 3.9Å; L16-L25 HydrophobicContact CG-CG 4.27Å
17F91Very high96.3Very high102 Ų10268.2 Ų68.245%0.44734%0.337SS..  trans-115.5144.4171.6-58.7-87.2000109.7K15 D19 Q23K15-F17 HydrophobicContact CD-CE1 4.42Å; K15-F17 HydrophobicContact CD-CZ 4.48Å; K15-F17 HydrophobicContact CG-CE1 4.23Å; K15-F17 HydrophobicContact CG-CE2 4.27Å; K15-F17 HydrophobicContact CG-CZ 3.9Å; K15-F17 WeakPolarHBondContact O-CD2 3.42Å; K15-F17 VanDerWaalsContact O-CE2 3.27Å; K15-F17 WeakPolarHBondContact O-CE2 3.2Å; F17-D19 PolarHBondContact O-N 2.79Å; F17-Q23 PolarHBondContact O-NE2 2.84Å
18N91.7Very high96.2Very high177 Ų17768 Ų6895%0.94734%0.336SS*.SBendtrans-88.780.9173.6-170.120.1000109.9
19D92.8Very high96.2Very high57 Ų5769 Ų6931%0.30534%0.343SS..SBendtrans-13011.3-176.166.511.6000113.7F17 R21 Q23F17-D19 PolarHBondContact O-N 2.79Å; D19-R21 VanDerWaalsContact CG-NE 3.29Å; D19-R21 PolarHBondContact O-N 3.37Å; D19-R21 VanDerWaalsContact OD1-CB 3.3Å; D19-R21 WeakPolarHBondContact OD1-CB 3.4Å; D19-R21 PolarHBondContact OD1-N 3.4Å; D19-R21 IonicContact OD1-NE 3.42Å; D19-R21 IonicContact OD2-CZ 3.54Å; D19-R21 IonicContact OD2-NE 2.62Å; D19-R21 PolarHBondContact OD2-NE 3.26Å; D19-R21 IonicContact OD2-NH2 3.12Å; D19-R21 PolarHBondContact OD2-NH2 2.67Å; D19-Q23 PolarHBondContact OD1-NE2 3.36Å
20G94.1Very high96.1Very high76 Ų7671.2 Ų71.278%0.78436%0.355SS*.SBendtrans74.9-2.9-179.900000115.4
21R96.4Very high96.1Very high87 Ų8776.8 Ų76.833%0.32838%0.381SS..SBendtrans-87.6149.4177.7-62.5177.7-74.3-174.5-4.1110.9I4 S5 I7 D19I4-R21 WeakPolarHBondContact O-CD 3.46Å; S5-R21 WeakPolarHBondContact O-CB 3.38Å; I7-R21 HydrophobicContact CD1-CB 4.5Å; I7-R21 HydrophobicContact CG1-CB 4.5Å; D19-R21 VanDerWaalsContact CG-NE 3.29Å; D19-R21 PolarHBondContact O-N 3.37Å; D19-R21 VanDerWaalsContact OD1-CB 3.3Å; D19-R21 WeakPolarHBondContact OD1-CB 3.4Å; D19-R21 PolarHBondContact OD1-N 3.4Å; D19-R21 IonicContact OD1-NE 3.42Å; D19-R21 IonicContact OD2-CZ 3.54Å; D19-R21 IonicContact OD2-NE 2.62Å; D19-R21 PolarHBondContact OD2-NE 3.26Å; D19-R21 IonicContact OD2-NH2 3.12Å; D19-R21 PolarHBondContact OD2-NH2 2.67Å
22Q97.8Very high96.1Very high119 Ų11980 Ų8056%0.55640%0.396SS*.EExtended strand (participates in β ladder)trans-73.4133.9172-68.1-173.656.400109.6S5 H6 I7 F46S5-Q22 PolarHBondContact O-N 3.41Å; S5-Q22 VanDerWaalsContact O-N 3.13Å; H6-Q22 CarbonylContact C-O 3.48Å; H6-Q22 WeakPolarHBondContact CA-O 3.44Å; H6-Q22 VanDerWaalsContact CD2-CB 3.42Å; H6-Q22 WeakPolarHBondContact CD2-CB 3.22Å; H6-Q22 PolarHBondContact NE2-NE2 3.2Å; H6-Q22 VanDerWaalsContact NE2-NE2 3.16Å; H6-Q22 PolarHBondContact NE2-OE1 3.33Å; I7-Q22 PolarHBondContact N-O 3.28Å; Q22-F46 HydrophobicContact CB-CE2 4.44Å; Q22-F46 HydrophobicContact CB-CZ 4.3Å
23Q98.4Very high96.3Very high35 Ų3581.4 Ų81.416%0.16441%0.412CS..EExtended strand (participates in β ladder)trans-131.8137.4-171.3-65.4175.147.100111.9I7 L16 F17 D19I7-Q23 HydrophobicContact CB-CG 4.18Å; I7-Q23 HydrophobicContact CD1-CG 4.37Å; I7-Q23 HydrophobicContact CG1-CG 4.5Å; I7-Q23 CarbonylContact O-C 3.3Å; I7-Q23 VanDerWaalsContact O-CA 3.32Å; I7-Q23 WeakPolarHBondContact O-CA 3.45Å; L16-Q23 HydrophobicContact CD2-CB 3.59Å; F17-Q23 PolarHBondContact O-NE2 2.84Å; D19-Q23 PolarHBondContact OD1-NE2 3.36Å
24L98.4Very high96.4Very high14 Ų1474.4 Ų74.47%0.07339%0.388CS..EExtended strand (participates in β ladder)trans-120123.6171.4175.360.7000109.3I7 V8 S9 V26 K42 V43 F46I7-L24 PolarHBondContact O-N 3.45Å; V8-L24 CarbonylContact C-O 3.6Å; V8-L24 WeakPolarHBondContact CA-O 3.32Å; V8-L24 HydrophobicContact CG1-CB 4.42Å; V8-L24 HydrophobicContact CG1-CD2 4.27Å; V8-L24 HydrophobicContact CG1-CG 4.35Å; V8-L24 HydrophobicContact CG2-CB 4.42Å; S9-L24 PolarHBondContact N-O 3.27Å; L24-V26 HydrophobicContact CG-CG2 4.36Å; L24-K42 HydrophobicContact CD1-CD 4.13Å; L24-K42 VanDerWaalsContact CD1-CE 3.47Å; L24-K42 HydrophobicContact CD1-CG 4.43Å; L24-K42 HydrophobicContact CD2-CG 4.4Å; L24-V43 HydrophobicContact CD2-CB 4.47Å; L24-V43 HydrophobicContact CD2-CG2 3.94Å; L24-F46 HydrophobicContact CB-CD1 4.04Å; L24-F46 HydrophobicContact CB-CD2 3.92Å; L24-F46 HydrophobicContact CB-CE1 4Å; L24-F46 HydrophobicContact CB-CE2 3.9Å; L24-F46 HydrophobicContact CB-CG 3.98Å; L24-F46 HydrophobicContact CB-CZ 3.93Å; L24-F46 HydrophobicContact CD2-CB 3.72Å; L24-F46 HydrophobicContact CD2-CD1 4.24Å; L24-F46 HydrophobicContact CD2-CD2 4.32Å; L24-F46 HydrophobicContact CD2-CG 3.85Å
25L98.2Very high96.5Very high49 Ų4977.8 Ų77.826%0.25741%0.406SS..EExtended strand (participates in β ladder)trans-99.5133.8174.6-51.2-174.5000110.4A14 L16A14-L25 HydrophobicContact CB-CB 4.3Å; A14-L25 HydrophobicContact CB-CD2 4.15Å; L16-L25 HydrophobicContact CD2-CD1 4.07Å; L16-L25 HydrophobicContact CD2-CD2 4.03Å; L16-L25 HydrophobicContact CD2-CG 3.86Å; L16-L25 HydrophobicContact CG-CD1 3.9Å; L16-L25 HydrophobicContact CG-CG 4.27Å
26V98.2Very high96.6Very high6 Ų671.5 Ų71.54%0.03638%0.378CS..EExtended strand (participates in β ladder)trans-127104.4171.2-175.80000107.7V8 S9 I10 H11 L24 I28 H39 V43 F71V8-V26 HydrophobicContact CG1-CG2 4.45Å; S9-V26 PolarHBondContact O-N 3.2Å; I10-V26 CarbonylContact C-O 3.57Å; I10-V26 VanDerWaalsContact CA-O 3.27Å; I10-V26 WeakPolarHBondContact CA-O 3.33Å; I10-V26 HydrophobicContact CB-CB 4.47Å; I10-V26 HydrophobicContact CG1-CB 4.13Å; I10-V26 HydrophobicContact CG1-CG2 4.42Å; I10-V26 HydrophobicContact CG2-CB 4.23Å; I10-V26 HydrophobicContact CG2-CG1 4.32Å; H11-V26 PolarHBondContact N-O 2.93Å; L24-V26 HydrophobicContact CG-CG2 4.36Å; V26-I28 HydrophobicContact CG1-CB 4.42Å; V26-I28 HydrophobicContact CG1-CG2 4.11Å; V26-I28 PolarHBondContact O-N 3.25Å; V26-H39 HydrophobicContact CG1-CB 4.16Å; V26-H39 VanDerWaalsContact CG1-CD2 3.49Å; V26-H39 WeakPolarHBondContact CG1-CD2 3.46Å; V26-V43 HydrophobicContact CG2-CG2 3.68Å; V26-F71 HydrophobicContact CG1-CE2 4.3Å; V26-F71 HydrophobicContact CG1-CZ 4.07Å
27K97.4Very high96.5Very high143 Ų14368.5 Ų68.562%0.62236%0.363SS*.  trans-89.489.1-178.3-68.4-173.5178.7-177.30109.6A14A14-K27 HydrophobicContact CB-CG 4.41Å; A14-K27 VanDerWaalsContact O-CE 3.28Å; A14-K27 WeakPolarHBondContact O-CE 3.32Å
28I97Very high96.8Very high1 Ų169.3 Ų69.31%0.00537%0.368CS..  trans-133.8140.4179.4-163.5178.5000109.7I10 V26 E34 I36 R67 F104I10-I28 HydrophobicContact CG2-CG2 3.53Å; V26-I28 HydrophobicContact CG1-CB 4.42Å; V26-I28 HydrophobicContact CG1-CG2 4.11Å; V26-I28 PolarHBondContact O-N 3.25Å; I28-E34 HydrophobicContact CD1-CB 3.79Å; I28-E34 HydrophobicContact CG1-CB 3.72Å; I28-E34 HydrophobicContact CG1-CG 3.89Å; I28-E34 WeakPolarHBondContact CG1-OE2 3.32Å; I28-I36 HydrophobicContact CD1-CB 3.95Å; I28-I36 HydrophobicContact CD1-CG1 3.85Å; I28-R67 HydrophobicContact CG2-CG 4.22Å; I28-R67 WeakPolarHBondContact O-CD 3.5Å; I28-R67 PolarHBondContact O-NH1 3.36Å; I28-F104 HydrophobicContact CD1-CZ 4.49Å
29S97.4Very high97Very high21 Ų2163 Ų6315%0.14733%0.333CS..  trans-80.5167.7176.5790000110.8D12 Q31 E34D12-S29 WeakPolarHBondContact OD1-CA 3.48Å; D12-S29 VanDerWaalsContact OD1-CB 3.23Å; D12-S29 WeakPolarHBondContact OD1-CB 3.18Å; D12-S29 PolarHBondContact OD1-N 3.44Å; S29-Q31 PolarHBondContact O-N 2.98Å; S29-Q31 VanDerWaalsContact OG-CG 3.26Å; S29-Q31 WeakPolarHBondContact OG-CG 3.18Å; S29-E34 VanDerWaalsContact CB-OE1 3.26Å; S29-E34 WeakPolarHBondContact CB-OE1 3.45Å; S29-E34 PolarHBondContact N-OE1 3.04Å; S29-E34 VanDerWaalsContact N-OE1 3.16Å; S29-E34 VanDerWaalsContact OG-CD 3.31Å; S29-E34 WeakPolarHBondContact OG-CG 3.38Å; S29-E34 PolarHBondContact OG-OE1 3.13Å
30D98Very high97.2Very high46 Ų4660.6 Ų60.625%0.24632%0.32CS..SBendtrans-90.631.7178-151.55.1000112.2S66 R67 N101 F104D30-S66 WeakPolarHBondContact OD1-CB 3.4Å; D30-S66 PolarHBondContact OD1-OG 3.45Å; D30-S66 WeakPolarHBondContact OD2-CB 3.27Å; D30-R67 HydrophobicContact CB-CG 4.31Å; D30-N101 PolarHBondContact O-ND2 3.18Å; D30-N101 PolarHBondContact OD1-ND2 3.38Å; D30-F104 WeakPolarHBondContact OD1-CE2 3.43Å
31Q98.1Very high97.2Very high117 Ų11760.6 Ų60.655%0.54731%0.308SS..  trans-88.4149.4-179.7-61.2-60-29.600111S29 S33 E34 N101S29-Q31 PolarHBondContact O-N 2.98Å; S29-Q31 VanDerWaalsContact OG-CG 3.26Å; S29-Q31 WeakPolarHBondContact OG-CG 3.18Å; Q31-S33 PolarHBondContact O-N 3.19Å; Q31-E34 HydrophobicContact CB-CG 4.02Å; Q31-E34 WeakPolarHBondContact O-CB 3.34Å; Q31-E34 PolarHBondContact O-N 2.81Å; Q31-N101 PolarHBondContact O-ND2 3.3Å
32E98Very high97.2Very high91 Ų9162.6 Ų62.643%0.42532%0.319SS..THydrogen-bonded Turntrans-68.3-21.8179.9-60.6-167.5177.700113.3E34 N101 F102E32-E34 VanDerWaalsContact C-N 3.35Å; E32-N101 HydrophobicContact CG-CB 4.12Å; E32-F102 WeakPolarHBondContact OE1-CB 3.35Å
33S97.7Very high97.2Very high112 Ų11256.9 Ų56.978%0.78329%0.293SS*.THydrogen-bonded Turntrans-81.3-11.7179.257.30000113.9Q31Q31-S33 PolarHBondContact O-N 3.19Å
34E97.8Very high97.2Very high58 Ų5856 Ų5627%0.27129%0.289SS..SBendtrans-70.2136.6-179.3-73.3-79.5-166.300111.3I28 S29 Q31 E32 I36 F104 Q107I28-E34 HydrophobicContact CD1-CB 3.79Å; I28-E34 HydrophobicContact CG1-CB 3.72Å; I28-E34 HydrophobicContact CG1-CG 3.89Å; I28-E34 WeakPolarHBondContact CG1-OE2 3.32Å; S29-E34 VanDerWaalsContact CB-OE1 3.26Å; S29-E34 WeakPolarHBondContact CB-OE1 3.45Å; S29-E34 PolarHBondContact N-OE1 3.04Å; S29-E34 VanDerWaalsContact N-OE1 3.16Å; S29-E34 VanDerWaalsContact OG-CD 3.31Å; S29-E34 WeakPolarHBondContact OG-CG 3.38Å; S29-E34 PolarHBondContact OG-OE1 3.13Å; Q31-E34 HydrophobicContact CB-CG 4.02Å; Q31-E34 WeakPolarHBondContact O-CB 3.34Å; Q31-E34 PolarHBondContact O-N 2.81Å; E32-E34 VanDerWaalsContact C-N 3.35Å; E34-I36 PolarHBondContact O-N 2.86Å; E34-F104 HydrophobicContact CB-CE1 3.9Å; E34-F104 HydrophobicContact CB-CZ 4.1Å; E34-Q107 PolarHBondContact O-NE2 3.43Å
35N97.3Very high97.1Very high75 Ų7557.2 Ų57.240%0.40130%0.295SS..  trans-86.289.2178.3-17611.8000110.2L37 E38N35-L37 VanDerWaalsContact C-N 3.34Å; N35-L37 PolarHBondContact OD1-N 2.72Å; N35-E38 PolarHBondContact ND2-OE2 3.07Å; N35-E38 VanDerWaalsContact O-CG 3.32Å; N35-E38 WeakPolarHBondContact O-CG 3.36Å
36I97Very high97.1Very high1 Ų156.7 Ų56.71%0.00529%0.291CS..  trans-76.9-25.2-178.3-152.5169.7000112.5I28 E34 E38 H39 T70 F71 F104 Q107I28-I36 HydrophobicContact CD1-CB 3.95Å; I28-I36 HydrophobicContact CD1-CG1 3.85Å; E34-I36 PolarHBondContact O-N 2.86Å; I36-E38 VanDerWaalsContact C-N 3.3Å; I36-E38 PolarHBondContact O-N 2.88Å; I36-H39 PolarHBondContact O-N 3.12Å; I36-T70 HydrophobicContact CD1-CG2 3.68Å; I36-T70 HydrophobicContact CG2-CG2 3.9Å; I36-F71 HydrophobicContact CD1-CD2 3.92Å; I36-F71 HydrophobicContact CD1-CE2 3.57Å; I36-F71 HydrophobicContact CD1-CZ 4.1Å; I36-F71 HydrophobicContact CG1-CD2 4.23Å; I36-F71 HydrophobicContact CG1-CE1 4.24Å; I36-F71 HydrophobicContact CG1-CE2 3.49Å; I36-F71 VanDerWaalsContact CG1-CE2 3.49Å; I36-F71 HydrophobicContact CG1-CZ 3.49Å; I36-F71 VanDerWaalsContact CG1-CZ 3.49Å; I36-F104 HydrophobicContact CB-CD1 3.99Å; I36-F104 HydrophobicContact CB-CE1 3.86Å; I36-F104 HydrophobicContact CB-CZ 4.45Å; I36-F104 HydrophobicContact CD1-CD1 4.31Å; I36-F104 HydrophobicContact CD1-CD2 4.1Å; I36-F104 HydrophobicContact CD1-CE1 4.2Å; I36-F104 HydrophobicContact CD1-CE2 4Å; I36-F104 HydrophobicContact CD1-CG 4.28Å; I36-F104 HydrophobicContact CD1-CZ 4.05Å; I36-F104 HydrophobicContact CG2-CD1 3.9Å; I36-F104 HydrophobicContact CG2-CE1 4.31Å; I36-F104 HydrophobicContact CG2-CG 4.41Å; I36-Q107 HydrophobicContact CG2-CB 4.34Å
37L94.1Very high97.1Very high52 Ų5256.8 Ų56.827%0.27229%0.291SS..G310 helixtrans-65.7-31.4-176.2-64.4-173.9000113N35 H39 V40 Q107 A110 F111N35-L37 VanDerWaalsContact C-N 3.34Å; N35-L37 PolarHBondContact OD1-N 2.72Å; L37-H39 PolarHBondContact O-N 3.41Å; L37-H39 VanDerWaalsContact O-N 3.11Å; L37-V40 HydrophobicContact CD2-CG2 4.11Å; L37-V40 WeakPolarHBondContact O-CB 3.28Å; L37-V40 PolarHBondContact O-N 3.47Å; L37-V40 VanDerWaalsContact O-N 3.09Å; L37-Q107 HydrophobicContact CD1-CB 4.01Å; L37-Q107 HydrophobicContact CD1-CG 4.29Å; L37-Q107 HydrophobicContact CD2-CB 4.05Å; L37-Q107 HydrophobicContact CG-CB 3.82Å; L37-Q107 HydrophobicContact CG-CG 4.21Å; L37-A110 HydrophobicContact CD1-CB 4.49Å; L37-F111 HydrophobicContact CD2-CB 3.86Å; L37-F111 HydrophobicContact CD2-CD2 4.48Å; L37-F111 HydrophobicContact CD2-CG 4.36Å
38E96.1Very high97Very high118 Ų11851.5 Ų51.555%0.55127%0.269SS*.G310 helixtrans-61.4-22.617977-168.9-165.300113.2N35 I36N35-E38 PolarHBondContact ND2-OE2 3.07Å; N35-E38 VanDerWaalsContact O-CG 3.32Å; N35-E38 WeakPolarHBondContact O-CG 3.36Å; I36-E38 VanDerWaalsContact C-N 3.3Å; I36-E38 PolarHBondContact O-N 2.88Å
39H97.1Very high97Very high46 Ų4653.6 Ų53.621%0.21329%0.286CS..G310 helixtrans-97.5-12179.6-59.8-42.9000113.5V26 I36 L37 S41 K42 V43 F71V26-H39 HydrophobicContact CG1-CB 4.16Å; V26-H39 VanDerWaalsContact CG1-CD2 3.49Å; V26-H39 WeakPolarHBondContact CG1-CD2 3.46Å; I36-H39 PolarHBondContact O-N 3.12Å; L37-H39 PolarHBondContact O-N 3.41Å; L37-H39 VanDerWaalsContact O-N 3.11Å; H39-S41 PolarHBondContact O-N 3.16Å; H39-K42 PolarHBondContact O-N 2.89Å; H39-V43 WeakPolarHBondContact O-CG2 3.46Å; H39-V43 PolarHBondContact O-N 2.8Å; H39-F71 HydrophobicContact CB-CE1 3.75Å; H39-F71 HydrophobicContact CB-CZ 3.63Å
40V96.3Very high96.9Very high6 Ų652.6 Ų52.64%0.03628%0.279CS..Hα-helixtrans-59.3-45.4-171.9167.40000111.5L37 K42 V43 N44 F71 A74 F111L37-V40 HydrophobicContact CD2-CG2 4.11Å; L37-V40 WeakPolarHBondContact O-CB 3.28Å; L37-V40 PolarHBondContact O-N 3.47Å; L37-V40 VanDerWaalsContact O-N 3.09Å; V40-K42 PolarHBondContact O-N 3.42Å; V40-V43 PolarHBondContact O-N 3.42Å; V40-N44 WeakPolarHBondContact CG1-ND2 3.5Å; V40-N44 VanDerWaalsContact O-CB 3.26Å; V40-N44 WeakPolarHBondContact O-CB 3.4Å; V40-N44 VanDerWaalsContact O-CG 3.24Å; V40-N44 PolarHBondContact O-N 3.15Å; V40-F71 HydrophobicContact CG2-CD1 4.35Å; V40-F71 HydrophobicContact CG2-CE1 4.18Å; V40-A74 HydrophobicContact CG1-CB 3.88Å; V40-A74 HydrophobicContact CG2-CB 4.09Å; V40-F111 HydrophobicContact CG1-CD2 4.4Å; V40-F111 HydrophobicContact CG1-CE1 4.38Å; V40-F111 HydrophobicContact CG1-CE2 3.73Å; V40-F111 HydrophobicContact CG1-CZ 3.71Å
41S94.7Very high96.8Very high76 Ų7657.1 Ų57.153%0.53129%0.293SS..Hα-helixtrans-57-52178.9-169.80000111.2H39 V43 N44 D45H39-S41 PolarHBondContact O-N 3.16Å; S41-V43 PolarHBondContact O-N 3.37Å; S41-N44 PolarHBondContact O-N 2.59Å; S41-D45 WeakPolarHBondContact O-CB 3.49Å; S41-D45 VanDerWaalsContact O-CG 3.26Å; S41-D45 PolarHBondContact O-N 3.2Å
42K96.6Very high96.6Very high128 Ų12856.7 Ų56.756%0.55729%0.293SS*.Hα-helixtrans-60.4-43.5-178.4-173.8-176.7-174.2-173.30112.3L24 H39 V40 F46L24-K42 HydrophobicContact CD1-CD 4.13Å; L24-K42 VanDerWaalsContact CD1-CE 3.47Å; L24-K42 HydrophobicContact CD1-CG 4.43Å; L24-K42 HydrophobicContact CD2-CG 4.4Å; H39-K42 PolarHBondContact O-N 2.89Å; V40-K42 PolarHBondContact O-N 3.42Å; K42-F46 WeakPolarHBondContact O-CB 3.19Å; K42-F46 PolarHBondContact O-N 3.47Å; K42-F46 VanDerWaalsContact O-N 3.15Å
43V98.2Very high96.5Very high0 Ų058.9 Ų58.90%031%0.308CS..Hα-helixtrans-69.5-41.8179.6173.60000111.1V8 L24 V26 H39 V40 S41 F46 I47 F71V8-V43 HydrophobicContact CG1-CG1 4.15Å; V8-V43 HydrophobicContact CG1-CG2 4.34Å; L24-V43 HydrophobicContact CD2-CB 4.47Å; L24-V43 HydrophobicContact CD2-CG2 3.94Å; V26-V43 HydrophobicContact CG2-CG2 3.68Å; H39-V43 WeakPolarHBondContact O-CG2 3.46Å; H39-V43 PolarHBondContact O-N 2.8Å; V40-V43 PolarHBondContact O-N 3.42Å; S41-V43 PolarHBondContact O-N 3.37Å; V43-F46 PolarHBondContact O-N 2.94Å; V43-I47 HydrophobicContact CG1-CD1 3.68Å; V43-I47 HydrophobicContact CG1-CG1 4.34Å; V43-I47 VanDerWaalsContact O-CG1 3.28Å; V43-I47 WeakPolarHBondContact O-CG1 3.24Å; V43-I47 PolarHBondContact O-N 3.4Å; V43-F71 HydrophobicContact CB-CD1 3.62Å; V43-F71 HydrophobicContact CB-CE1 3.87Å; V43-F71 HydrophobicContact CB-CG 4.46Å; V43-F71 HydrophobicContact CG1-CB 4.08Å; V43-F71 HydrophobicContact CG1-CD1 3.62Å; V43-F71 HydrophobicContact CG1-CE1 4.31Å; V43-F71 HydrophobicContact CG1-CG 4.01Å; V43-F71 HydrophobicContact CG2-CD1 3.73Å; V43-F71 HydrophobicContact CG2-CE1 3.54Å; V43-F71 HydrophobicContact CG2-CG 4.46Å; V43-F71 HydrophobicContact CG2-CZ 4.11Å
44N97.1Very high96.3Very high16 Ų1657 Ų579%0.08631%0.306CS..Hα-helixtrans-63.8-45177.7-76.10.2000111.6V40 S41 F46 I47 H48 Y75 S78V40-N44 WeakPolarHBondContact CG1-ND2 3.5Å; V40-N44 VanDerWaalsContact O-CB 3.26Å; V40-N44 WeakPolarHBondContact O-CB 3.4Å; V40-N44 VanDerWaalsContact O-CG 3.24Å; V40-N44 PolarHBondContact O-N 3.15Å; S41-N44 PolarHBondContact O-N 2.59Å; N44-F46 VanDerWaalsContact C-N 3.31Å; N44-F46 PolarHBondContact O-N 3.02Å; N44-I47 PolarHBondContact O-N 2.62Å; N44-H48 VanDerWaalsContact O-CB 3.22Å; N44-H48 WeakPolarHBondContact O-CB 3.33Å; N44-H48 PolarHBondContact O-N 2.85Å; N44-Y75 HydrophobicContact CB-CD2 4.2Å; N44-Y75 WeakPolarHBondContact OD1-CA 3.26Å; N44-Y75 WeakPolarHBondContact OD1-CB 3.5Å; N44-S78 PolarHBondContact ND2-OG 3.17Å
45D96.4Very high96.3Very high39 Ų3954.9 Ų54.921%0.20930%0.3CS..Hα-helixtrans-59.5-43.7177.1-71.6-36.4000111.2S41 H48 A49 S130S41-D45 WeakPolarHBondContact O-CB 3.49Å; S41-D45 VanDerWaalsContact O-CG 3.26Å; S41-D45 PolarHBondContact O-N 3.2Å; D45-H48 PolarHBondContact O-N 2.9Å; D45-A49 VanDerWaalsContact O-CB 3.23Å; D45-A49 WeakPolarHBondContact O-CB 3.43Å; D45-A49 PolarHBondContact O-N 2.78Å; D45-S130 PolarHBondContact OD1-N 3.2Å; D45-S130 PolarHBondContact OD1-OG 2.81Å; D45-S130 WeakPolarHBondContact OD2-CB 3.48Å; D45-S130 PolarHBondContact OD2-OG 2.99Å
46F98Very high96.2Very high38 Ų3853.9 Ų53.917%0.16730%0.299CS..Hα-helixtrans-62.6-46.8176.5-176.9-91.5000112.4H6 V8 Q22 L24 K42 V43 N44 A50 V57H6-F46 HydrophobicContact CB-CE1 3.77Å; H6-F46 HydrophobicContact CB-CZ 3.92Å; H6-F46 AromaticContact CD2-CZ 3.7Å; V8-F46 HydrophobicContact CG2-CD1 3.48Å; V8-F46 VanDerWaalsContact CG2-CD1 3.48Å; V8-F46 HydrophobicContact CG2-CE1 3.59Å; Q22-F46 HydrophobicContact CB-CE2 4.44Å; Q22-F46 HydrophobicContact CB-CZ 4.3Å; L24-F46 HydrophobicContact CB-CD1 4.04Å; L24-F46 HydrophobicContact CB-CD2 3.92Å; L24-F46 HydrophobicContact CB-CE1 4Å; L24-F46 HydrophobicContact CB-CE2 3.9Å; L24-F46 HydrophobicContact CB-CG 3.98Å; L24-F46 HydrophobicContact CB-CZ 3.93Å; L24-F46 HydrophobicContact CD2-CB 3.72Å; L24-F46 HydrophobicContact CD2-CD1 4.24Å; L24-F46 HydrophobicContact CD2-CD2 4.32Å; L24-F46 HydrophobicContact CD2-CG 3.85Å; K42-F46 WeakPolarHBondContact O-CB 3.19Å; K42-F46 PolarHBondContact O-N 3.47Å; K42-F46 VanDerWaalsContact O-N 3.15Å; V43-F46 PolarHBondContact O-N 2.94Å; N44-F46 VanDerWaalsContact C-N 3.31Å; N44-F46 PolarHBondContact O-N 3.02Å; F46-A50 WeakPolarHBondContact O-CB 3.38Å; F46-A50 PolarHBondContact O-N 3.19Å; F46-A50 VanDerWaalsContact O-N 3.16Å; F46-V57 HydrophobicContact CE1-CG1 4.3Å
47I97.9Very high96.3Very high9 Ų955.5 Ų55.55%0.04631%0.309CS..Hα-helixtrans-63.5-44.8177.7-65.9165.9000110.4V8 V43 N44 A50 R51 V57 V59 Y75V8-I47 HydrophobicContact CG2-CG1 4.34Å; V43-I47 HydrophobicContact CG1-CD1 3.68Å; V43-I47 HydrophobicContact CG1-CG1 4.34Å; V43-I47 VanDerWaalsContact O-CG1 3.28Å; V43-I47 WeakPolarHBondContact O-CG1 3.24Å; V43-I47 PolarHBondContact O-N 3.4Å; N44-I47 PolarHBondContact O-N 2.62Å; I47-A50 PolarHBondContact O-N 3.29Å; I47-R51 WeakPolarHBondContact O-CG 3.35Å; I47-R51 PolarHBondContact O-N 2.89Å; I47-R51 VanDerWaalsContact O-N 3.07Å; I47-V57 HydrophobicContact CG1-CG1 4.2Å; I47-V57 HydrophobicContact CG2-CG2 4.36Å; I47-V59 HydrophobicContact CD1-CG2 3.93Å; I47-V59 HydrophobicContact CG1-CG2 4.27Å; I47-Y75 HydrophobicContact CB-CD2 3.94Å; I47-Y75 HydrophobicContact CB-CE2 3.91Å; I47-Y75 HydrophobicContact CB-CG 4.44Å; I47-Y75 HydrophobicContact CD1-CD2 4.32Å; I47-Y75 HydrophobicContact CD1-CG 4.21Å; I47-Y75 HydrophobicContact CG2-CD1 3.94Å; I47-Y75 HydrophobicContact CG2-CD2 3.79Å; I47-Y75 HydrophobicContact CG2-CE1 3.74Å; I47-Y75 HydrophobicContact CG2-CE2 3.56Å; I47-Y75 HydrophobicContact CG2-CG 3.98Å
48H96.4Very high96.4Very high32 Ų3256.3 Ų56.315%0.14831%0.313CS..Hα-helixtrans-68-46.1-175.3-161.565.4000111.7N44 D45 A50 R51 L52 Y75N44-H48 VanDerWaalsContact O-CB 3.22Å; N44-H48 WeakPolarHBondContact O-CB 3.33Å; N44-H48 PolarHBondContact O-N 2.85Å; D45-H48 PolarHBondContact O-N 2.9Å; H48-A50 VanDerWaalsContact C-N 3.32Å; H48-A50 PolarHBondContact O-N 2.95Å; H48-R51 PolarHBondContact O-N 3.28Å; H48-R51 VanDerWaalsContact O-N 3.12Å; H48-L52 WeakPolarHBondContact O-CG 3.3Å; H48-L52 PolarHBondContact O-N 3.26Å; H48-Y75 HydrophobicContact CB-CE2 4.03Å; H48-Y75 PolarHBondContact ND1-OH 3.09Å
49A96.3Very high96.5Very high44 Ų4452 Ų5236%0.36430%0.295SS..Hα-helixtrans-59.7-42.9176.600000111.7D45 R51 L52 N53D45-A49 VanDerWaalsContact O-CB 3.23Å; D45-A49 WeakPolarHBondContact O-CB 3.43Å; D45-A49 PolarHBondContact O-N 2.78Å; A49-R51 VanDerWaalsContact C-N 3.32Å; A49-R51 PolarHBondContact O-N 2.86Å; A49-L52 PolarHBondContact O-N 3.19Å; A49-N53 PolarHBondContact O-N 3.16Å; A49-N53 PolarHBondContact O-ND2 3.39Å
50A96.5Very high96.6Very high0 Ų052.3 Ų52.30%030%0.296CS..Hα-helixtrans-58.5-45.3174.700000111.6H6 F46 I47 H48 N53 G55 V57H6-A50 HydrophobicContact CB-CB 4.18Å; F46-A50 WeakPolarHBondContact O-CB 3.38Å; F46-A50 PolarHBondContact O-N 3.19Å; F46-A50 VanDerWaalsContact O-N 3.16Å; I47-A50 PolarHBondContact O-N 3.29Å; H48-A50 VanDerWaalsContact C-N 3.32Å; H48-A50 PolarHBondContact O-N 2.95Å; A50-N53 PolarHBondContact O-N 3.43Å; A50-G55 VanDerWaalsContact O-CA 3.25Å; A50-G55 WeakPolarHBondContact O-CA 3.4Å; A50-G55 PolarHBondContact O-N 3.44Å; A50-V57 HydrophobicContact CB-CG2 3.44Å; A50-V57 VanDerWaalsContact CB-CG2 3.44Å
51R95Very high96.6Very high141 Ų14152.5 Ų52.553%0.53230%0.298SS..Hα-helixtrans-67.8-40.5-179.5-74.2-17365.4-160.2-6113.5I47 H48 A49 N53 G54 Y75I47-R51 WeakPolarHBondContact O-CG 3.35Å; I47-R51 PolarHBondContact O-N 2.89Å; I47-R51 VanDerWaalsContact O-N 3.07Å; H48-R51 PolarHBondContact O-N 3.28Å; H48-R51 VanDerWaalsContact O-N 3.12Å; A49-R51 VanDerWaalsContact C-N 3.32Å; A49-R51 PolarHBondContact O-N 2.86Å; R51-N53 PolarHBondContact O-N 2.84Å; R51-G54 PolarHBondContact O-N 3.35Å; R51-Y75 WeakPolarHBondContact CD-OH 3.41Å; R51-Y75 PolarHBondContact NH1-OH 3.02Å
52L94.7Very high96.7Very high108 Ų10853.8 Ų53.857%0.56530%0.297SS*.Hα-helixtrans-61.1-30.8175.9-72.9178.5000112H48 A49 G54 P129H48-L52 WeakPolarHBondContact O-CG 3.3Å; H48-L52 PolarHBondContact O-N 3.26Å; A49-L52 PolarHBondContact O-N 3.19Å; L52-G54 VanDerWaalsContact C-N 3.27Å; L52-G54 PolarHBondContact O-N 3.27Å; L52-P129 HydrophobicContact CD1-CG 4.24Å
53N95.7Very high96.7Very high138 Ų13853 Ų5374%0.73830%0.298SS*.THydrogen-bonded Turntrans-89.118.3176.2-66.6-57.3000113.5A49 A50 R51 G55A49-N53 PolarHBondContact O-N 3.16Å; A49-N53 PolarHBondContact O-ND2 3.39Å; A50-N53 PolarHBondContact O-N 3.43Å; R51-N53 PolarHBondContact O-N 2.84Å; N53-G55 PolarHBondContact O-N 3Å
54G93.9Very high96.7Very high71 Ų7153.9 Ų53.973%0.73231%0.307SS*.THydrogen-bonded Turntrans70.911.8179.200000114.8R51 L52R51-G54 PolarHBondContact O-N 3.35Å; L52-G54 VanDerWaalsContact C-N 3.27Å; L52-G54 PolarHBondContact O-N 3.27Å
55G96.2Very high96.8Very high14 Ų1454.6 Ų54.614%0.14431%0.311CS..  trans-81.3159.2178.600000113.9S5 A50 N53S5-G55 WeakPolarHBondContact OG-CA 3.28Å; A50-G55 VanDerWaalsContact O-CA 3.25Å; A50-G55 WeakPolarHBondContact O-CA 3.4Å; A50-G55 PolarHBondContact O-N 3.44Å; N53-G55 PolarHBondContact O-N 3Å
56S96.2Very high96.9Very high55 Ų5552.9 Ų52.939%0.38530%0.302SS..  trans-114.6138.9170.1-60.30000110.6Y3 S5 H6Y3-S56 VanDerWaalsContact O-CB 3.32Å; Y3-S56 WeakPolarHBondContact O-CB 3.46Å; S5-S56 PolarHBondContact N-O 2.91Å; S5-S56 PolarHBondContact OG-N 3.37Å; S5-S56 PolarHBondContact OG-O 3.2Å; H6-S56 PolarHBondContact N-O 2.8Å
57V98.1Very high96.9Very high35 Ų3551.8 Ų51.821%0.21230%0.297CS..EExtended strand (participates in β ladder)trans-114.6126.1-172.2-167.20000110.3H6 V8 F46 I47 A50 V59H6-V57 HydrophobicContact CB-CB 4.37Å; H6-V57 HydrophobicContact CB-CG1 4.06Å; H6-V57 HydrophobicContact CB-CG2 4.07Å; H6-V57 WeakPolarHBondContact O-CA 3.41Å; V8-V57 HydrophobicContact CG2-CG1 3.85Å; F46-V57 HydrophobicContact CE1-CG1 4.3Å; I47-V57 HydrophobicContact CG1-CG1 4.2Å; I47-V57 HydrophobicContact CG2-CG2 4.36Å; A50-V57 HydrophobicContact CB-CG2 3.44Å; A50-V57 VanDerWaalsContact CB-CG2 3.44Å; V57-V59 HydrophobicContact CG1-CG2 4.02Å
58L97.4Very high96.9Very high69 Ų6951.7 Ų51.736%0.36130%0.297SS..EExtended strand (participates in β ladder)trans-89.4116.7166.4173.162.4000109.4I4 H6 I7 V8 H60I4-L58 HydrophobicContact CD1-CB 4.08Å; I4-L58 HydrophobicContact CD1-CD2 4.32Å; I4-L58 HydrophobicContact CG1-CB 4.48Å; I4-L58 HydrophobicContact CG2-CB 3.71Å; H6-L58 PolarHBondContact O-N 3.05Å; I7-L58 CarbonylContact C-O 3.51Å; I7-L58 WeakPolarHBondContact CA-O 3.42Å; I7-L58 HydrophobicContact CG2-CB 4.46Å; I7-L58 HydrophobicContact CG2-CD2 4.36Å; I7-L58 HydrophobicContact CG2-CG 4.46Å; V8-L58 PolarHBondContact N-O 3.15Å; L58-H60 HydrophobicContact CG-CB 4.5Å
59V98.4Very high97Very high28 Ų2850.4 Ų50.417%0.1729%0.291CS..EExtended strand (participates in β ladder)trans-107.5114.7173.8-173.40000108.5V8 I10 I47 V57 V72V8-V59 HydrophobicContact CB-CB 4.49Å; V8-V59 HydrophobicContact CB-CG1 4.23Å; V8-V59 HydrophobicContact CB-CG2 4.24Å; V8-V59 HydrophobicContact CG2-CG2 4.2Å; I10-V59 HydrophobicContact CD1-CG1 3.5Å; I47-V59 HydrophobicContact CD1-CG2 3.93Å; I47-V59 HydrophobicContact CG1-CG2 4.27Å; V57-V59 HydrophobicContact CG1-CG2 4.02Å; V59-V72 HydrophobicContact CB-CG2 4.04Å; V59-V72 HydrophobicContact CG1-CG2 4.09Å; V59-V72 HydrophobicContact CG2-CG2 4.41Å
60H98.1Very high97.2Very high51 Ų5148.4 Ų48.424%0.23627%0.274CS..EExtended strand (participates in β ladder)trans-135.9156.7-175.179.993.5000113.1V8 S9 I10 H11 L58V8-H60 PolarHBondContact O-CD2 3.08Å; V8-H60 PolarHBondContact O-N 3.39Å; S9-H60 WeakPolarHBondContact CB-NE2 3.3Å; S9-H60 PolarHBondContact OG-NE2 3.05Å; I10-H60 WeakPolarHBondContact CB-O 3.28Å; I10-H60 PolarHBondContact N-O 3.32Å; H11-H60 AromaticContact NE2-CE1 3.61Å; L58-H60 HydrophobicContact CG-CB 4.5Å
61C97.7Very high97.3Very high11 Ų1148.4 Ų48.47%0.07428%0.275CS..  trans-132.4-166.3167.870.20000108.9I10 L63 G64 R67 S68I10-C61 HydrophobicContact CB-CB 4.38Å; I10-C61 VanDerWaalsContact O-CA 3.27Å; I10-C61 WeakPolarHBondContact O-CA 3.13Å; I10-C61 WeakPolarHBondContact O-CB 3.27Å; C61-L63 PolarHBondContact O-N 3.5Å; C61-G64 PolarHBondContact SG-N 2.87Å; C61-R67 HydrophobicContact CB-CB 3.77Å; C61-S68 PolarHBondContact SG-OG 3.15Å; C61-S68 VanDerWaalsContact SG-OG 3.39Å
62M96.8Very high97.4Very high103 Ų10344 Ų4451%0.50726%0.263SS..SBendtrans-62.7-41.8-178.4-166.46265.300113.5H11H11-M62 HydrophobicContact CB-CE 4.45Å
63L96.9Very high97.6Very high110 Ų11038.8 Ų38.858%0.57624%0.236SC*.SBendtrans-115-12-174-59.2179.1000113.8C61 I65C61-L63 PolarHBondContact O-N 3.5Å; L63-I65 VanDerWaalsContact C-N 3.32Å; L63-I65 HydrophobicContact CB-CB 4.37Å; L63-I65 HydrophobicContact CB-CD1 3.83Å; L63-I65 HydrophobicContact CB-CG1 4.08Å; L63-I65 HydrophobicContact CD1-CD1 4.32Å; L63-I65 PolarHBondContact O-N 3.35Å
64G97.3Very high97.7Very high19 Ų1932.2 Ų32.220%0.19620%0.201CC..SBendtrans59.440.4-173.200000113.1C61 R95C61-G64 PolarHBondContact SG-N 2.87Å; G64-R95 PolarHBondContact O-NE 3.23Å; G64-R95 VanDerWaalsContact O-NE 3.11Å; G64-R95 PolarHBondContact O-NH2 3.43Å
65I98.5Very high97.9Very high31 Ų3129.6 Ų29.616%0.15917%0.169CC..SBendtrans-120.8-51.9-176.1-68.2169.8000111.9L63 V69 R97 S99L63-I65 VanDerWaalsContact C-N 3.32Å; L63-I65 HydrophobicContact CB-CB 4.37Å; L63-I65 HydrophobicContact CB-CD1 3.83Å; L63-I65 HydrophobicContact CB-CG1 4.08Å; L63-I65 HydrophobicContact CD1-CD1 4.32Å; L63-I65 PolarHBondContact O-N 3.35Å; I65-V69 WeakPolarHBondContact O-CB 3.45Å; I65-V69 VanDerWaalsContact O-CG2 3.27Å; I65-V69 WeakPolarHBondContact O-CG2 3.41Å; I65-R97 VanDerWaalsContact CD1-NH2 3.28Å; I65-R97 HydrophobicContact CG1-CB 4.47Å; I65-S99 WeakPolarHBondContact CG2-O 3.45Å; I65-S99 CarbonylContact O-C 3.54Å; I65-S99 VanDerWaalsContact O-C 3.28Å; I65-S99 PolarHBondContact O-N 2.83Å
66S98.6Very high97.9Very high4 Ų430.1 Ų30.13%0.02817%0.169CC..SBendtrans-114.3-82.3-168.5172.70000111.9D30 S68 V69 T70 N101 F104D30-S66 WeakPolarHBondContact OD1-CB 3.4Å; D30-S66 PolarHBondContact OD1-OG 3.45Å; D30-S66 WeakPolarHBondContact OD2-CB 3.27Å; S66-S68 PolarHBondContact O-N 2.67Å; S66-V69 CarbonylContact O-C 3.4Å; S66-V69 WeakPolarHBondContact O-CA 3.44Å; S66-V69 WeakPolarHBondContact O-CB 3.44Å; S66-V69 PolarHBondContact O-N 2.92Å; S66-T70 PolarHBondContact O-N 3.24Å; S66-T70 PolarHBondContact O-OG1 2.77Å; S66-T70 VanDerWaalsContact O-OG1 3.04Å; S66-N101 PolarHBondContact OG-N 2.89Å; S66-F104 WeakPolarHBondContact OG-CD2 3.45Å
67R98.5Very high97.9Very high14 Ų1427.6 Ų27.65%0.05315%0.151CC..Hα-helixtrans-40.9-63.3-179.2-75.1173.1-77-164.9-5.6116.1I10 D12 I28 D30 C61 V69 T70 F71 F104I10-R67 HydrophobicContact CG2-CB 3.78Å; I10-R67 HydrophobicContact CG2-CG 4.36Å; D12-R67 IonicContact OD2-NH1 2.99Å; D12-R67 PolarHBondContact OD2-NH1 3.16Å; I28-R67 HydrophobicContact CG2-CG 4.22Å; I28-R67 WeakPolarHBondContact O-CD 3.5Å; I28-R67 PolarHBondContact O-NH1 3.36Å; D30-R67 HydrophobicContact CB-CG 4.31Å; C61-R67 HydrophobicContact CB-CB 3.77Å; R67-V69 VanDerWaalsContact C-N 3.28Å; R67-V69 PolarHBondContact O-N 3.06Å; R67-T70 WeakPolarHBondContact O-CB 3.49Å; R67-T70 PolarHBondContact O-N 2.96Å; R67-F71 WeakPolarHBondContact O-CD2 3.5Å; R67-F71 PolarHBondContact O-N 2.91Å; R67-F104 HydrophobicContact CG-CE2 3.78Å; R67-F104 HydrophobicContact CG-CZ 4.32Å
68S98.6Very high97.7Very high7 Ų726.7 Ų26.75%0.04915%0.147CC..Hα-helixtrans-63.3-36.3-17860.90000112.7C61 S66 T70 F71 V72C61-S68 PolarHBondContact SG-OG 3.15Å; C61-S68 VanDerWaalsContact SG-OG 3.39Å; S66-S68 PolarHBondContact O-N 2.67Å; S68-T70 VanDerWaalsContact C-N 3.34Å; S68-F71 PolarHBondContact O-N 3.45Å; S68-V72 WeakPolarHBondContact O-CG2 3.39Å; S68-V72 PolarHBondContact O-N 3.4Å
69V98.7Very high97.4Very high6 Ų625.1 Ų25.14%0.03614%0.14CC..Hα-helixtrans-63.4-42.4176.3166.20000110.5I65 S66 R67 F71 V72 I73 L88 V91 A98 P100I65-V69 WeakPolarHBondContact O-CB 3.45Å; I65-V69 VanDerWaalsContact O-CG2 3.27Å; I65-V69 WeakPolarHBondContact O-CG2 3.41Å; S66-V69 CarbonylContact O-C 3.4Å; S66-V69 WeakPolarHBondContact O-CA 3.44Å; S66-V69 WeakPolarHBondContact O-CB 3.44Å; S66-V69 PolarHBondContact O-N 2.92Å; R67-V69 VanDerWaalsContact C-N 3.28Å; R67-V69 PolarHBondContact O-N 3.06Å; V69-F71 VanDerWaalsContact C-N 3.34Å; V69-F71 PolarHBondContact O-N 3.46Å; V69-V72 PolarHBondContact O-N 2.89Å; V69-I73 HydrophobicContact CG1-CD1 3.65Å; V69-I73 HydrophobicContact CG1-CG1 4.32Å; V69-I73 WeakPolarHBondContact O-CD1 3.3Å; V69-I73 VanDerWaalsContact O-CG1 3.24Å; V69-I73 WeakPolarHBondContact O-CG1 3.32Å; V69-I73 PolarHBondContact O-N 3.35Å; V69-L88 HydrophobicContact CG1-CD1 4.36Å; V69-V91 HydrophobicContact CG1-CG1 4.21Å; V69-A98 HydrophobicContact CB-CB 4.38Å; V69-A98 HydrophobicContact CG1-CB 3.66Å; V69-A98 HydrophobicContact CG2-CB 3.79Å; V69-P100 HydrophobicContact CG1-CG 3.86Å
70T98.8Very high97.1Very high1 Ų126.1 Ų26.11%0.00615%0.146CC..Hα-helixtrans-57.9-45.9176.8-52.40000111.8I36 S66 R67 S68 I73 A74 P100 F104 L108I36-T70 HydrophobicContact CD1-CG2 3.68Å; I36-T70 HydrophobicContact CG2-CG2 3.9Å; S66-T70 PolarHBondContact O-N 3.24Å; S66-T70 PolarHBondContact O-OG1 2.77Å; S66-T70 VanDerWaalsContact O-OG1 3.04Å; R67-T70 WeakPolarHBondContact O-CB 3.49Å; R67-T70 PolarHBondContact O-N 2.96Å; S68-T70 VanDerWaalsContact C-N 3.34Å; T70-I73 PolarHBondContact O-N 2.72Å; T70-A74 PolarHBondContact O-N 2.89Å; T70-P100 WeakPolarHBondContact OG1-CB 3.5Å; T70-F104 HydrophobicContact CG2-CB 3.99Å; T70-F104 HydrophobicContact CG2-CG 4.38Å; T70-L108 HydrophobicContact CG2-CD1 3.95Å; T70-L108 HydrophobicContact CG2-CD2 3.94Å; T70-L108 HydrophobicContact CG2-CG 3.83Å
71F98.7Very high96.7Very high1 Ų130.1 Ų30.10%0.00417%0.169CC..Hα-helixtrans-65.3-40.3176.5-78.6-74.7000112.9I10 V26 I36 H39 V40 V43 R67 S68 V69 I73 A74 Y75I10-F71 HydrophobicContact CD1-CB 4.19Å; I10-F71 HydrophobicContact CD1-CD2 3.46Å; I10-F71 VanDerWaalsContact CD1-CD2 3.46Å; I10-F71 HydrophobicContact CD1-CE2 4.08Å; I10-F71 HydrophobicContact CD1-CG 4.05Å; I10-F71 HydrophobicContact CG1-CD2 4.11Å; I10-F71 HydrophobicContact CG1-CE2 4.24Å; I10-F71 HydrophobicContact CG2-CD2 4.02Å; I10-F71 HydrophobicContact CG2-CE2 3.66Å; V26-F71 HydrophobicContact CG1-CE2 4.3Å; V26-F71 HydrophobicContact CG1-CZ 4.07Å; I36-F71 HydrophobicContact CD1-CD2 3.92Å; I36-F71 HydrophobicContact CD1-CE2 3.57Å; I36-F71 HydrophobicContact CD1-CZ 4.1Å; I36-F71 HydrophobicContact CG1-CD2 4.23Å; I36-F71 HydrophobicContact CG1-CE1 4.24Å; I36-F71 HydrophobicContact CG1-CE2 3.49Å; I36-F71 VanDerWaalsContact CG1-CE2 3.49Å; I36-F71 HydrophobicContact CG1-CZ 3.49Å; I36-F71 VanDerWaalsContact CG1-CZ 3.49Å; H39-F71 HydrophobicContact CB-CE1 3.75Å; H39-F71 HydrophobicContact CB-CZ 3.63Å; V40-F71 HydrophobicContact CG2-CD1 4.35Å; V40-F71 HydrophobicContact CG2-CE1 4.18Å; V43-F71 HydrophobicContact CB-CD1 3.62Å; V43-F71 HydrophobicContact CB-CE1 3.87Å; V43-F71 HydrophobicContact CB-CG 4.46Å; V43-F71 HydrophobicContact CG1-CB 4.08Å; V43-F71 HydrophobicContact CG1-CD1 3.62Å; V43-F71 HydrophobicContact CG1-CE1 4.31Å; V43-F71 HydrophobicContact CG1-CG 4.01Å; V43-F71 HydrophobicContact CG2-CD1 3.73Å; V43-F71 HydrophobicContact CG2-CE1 3.54Å; V43-F71 HydrophobicContact CG2-CG 4.46Å; V43-F71 HydrophobicContact CG2-CZ 4.11Å; R67-F71 WeakPolarHBondContact O-CD2 3.5Å; R67-F71 PolarHBondContact O-N 2.91Å; S68-F71 PolarHBondContact O-N 3.45Å; V69-F71 VanDerWaalsContact C-N 3.34Å; V69-F71 PolarHBondContact O-N 3.46Å; F71-I73 VanDerWaalsContact C-N 3.32Å; F71-I73 PolarHBondContact O-N 3.33Å; F71-A74 PolarHBondContact O-N 2.88Å; F71-Y75 WeakPolarHBondContact O-CB 3.47Å; F71-Y75 PolarHBondContact O-N 3.42Å
72V98.6Very high96.6Very high47 Ų4732.4 Ų32.429%0.28518%0.18SC..Hα-helixtrans-62.9-40.9175.7174.30000110.9V59 S68 V69 Y75 V76 V91V59-V72 HydrophobicContact CB-CG2 4.04Å; V59-V72 HydrophobicContact CG1-CG2 4.09Å; V59-V72 HydrophobicContact CG2-CG2 4.41Å; S68-V72 WeakPolarHBondContact O-CG2 3.39Å; S68-V72 PolarHBondContact O-N 3.4Å; V69-V72 PolarHBondContact O-N 2.89Å; V72-Y75 PolarHBondContact O-N 3.19Å; V72-V76 HydrophobicContact CG1-CG2 4.44Å; V72-V76 VanDerWaalsContact O-CG2 3.3Å; V72-V76 WeakPolarHBondContact O-CG2 3.39Å; V72-V76 PolarHBondContact O-N 3.03Å; V72-V91 HydrophobicContact CB-CG2 4.49Å; V72-V91 HydrophobicContact CG1-CG2 3.68Å
73I98.6Very high96.5Very high0 Ų028 Ų280%016%0.161CC..Hα-helixtrans-61.7-49.4175.4-67.4162.6000110.4V69 T70 F71 Y75 V76 M77 W84 A87 L88 V91 P100 L108V69-I73 HydrophobicContact CG1-CD1 3.65Å; V69-I73 HydrophobicContact CG1-CG1 4.32Å; V69-I73 WeakPolarHBondContact O-CD1 3.3Å; V69-I73 VanDerWaalsContact O-CG1 3.24Å; V69-I73 WeakPolarHBondContact O-CG1 3.32Å; V69-I73 PolarHBondContact O-N 3.35Å; T70-I73 PolarHBondContact O-N 2.72Å; F71-I73 VanDerWaalsContact C-N 3.32Å; F71-I73 PolarHBondContact O-N 3.33Å; I73-Y75 VanDerWaalsContact C-N 3.27Å; I73-Y75 PolarHBondContact O-N 2.74Å; I73-V76 PolarHBondContact O-N 3.28Å; I73-M77 HydrophobicContact CG2-CG 4.33Å; I73-M77 HydrophobicContact CG2-SD 3.8Å; I73-M77 VanDerWaalsContact O-CG 3.28Å; I73-M77 WeakPolarHBondContact O-CG 2.99Å; I73-M77 PolarHBondContact O-N 3.17Å; I73-W84 HydrophobicContact CG2-CB 4.35Å; I73-A87 HydrophobicContact CG2-CB 3.86Å; I73-L88 HydrophobicContact CD1-CB 3.93Å; I73-L88 HydrophobicContact CD1-CD1 3.64Å; I73-L88 HydrophobicContact CD1-CG 4.3Å; I73-L88 HydrophobicContact CG1-CB 4.4Å; I73-V91 HydrophobicContact CG1-CG2 4Å; I73-P100 HydrophobicContact CD1-CG 3.84Å; I73-L108 HydrophobicContact CB-CD1 4.23Å; I73-L108 HydrophobicContact CB-CD2 4.21Å; I73-L108 HydrophobicContact CD1-CD1 4Å; I73-L108 HydrophobicContact CG2-CD1 3.87Å; I73-L108 HydrophobicContact CG2-CD2 3.83Å; I73-L108 HydrophobicContact CG2-CG 4.44Å
74A97.9Very high96.6Very high0 Ų024 Ų240%014%0.138CC..Hα-helixtrans-59.5-39.3178.400000112V40 T70 F71 S78 L108 F111V40-A74 HydrophobicContact CG1-CB 3.88Å; V40-A74 HydrophobicContact CG2-CB 4.09Å; T70-A74 PolarHBondContact O-N 2.89Å; F71-A74 PolarHBondContact O-N 2.88Å; A74-S78 WeakPolarHBondContact O-CB 3.4Å; A74-S78 PolarHBondContact O-N 3.06Å; A74-S78 PolarHBondContact O-OG 2.71Å; A74-L108 HydrophobicContact CB-CD2 4.13Å; A74-F111 HydrophobicContact CB-CD1 4.19Å; A74-F111 HydrophobicContact CB-CE1 3.94Å; A74-F111 WeakPolarHBondContact O-CE1 3.27Å
75Y97.5Very high96.6Very high16 Ų1630 Ų306%0.06316%0.155CC..Hα-helixtrans-64.6-48174.8-179.7-101000111.8N44 I47 H48 R51 F71 V72 I73 M77 S78 V79N44-Y75 HydrophobicContact CB-CD2 4.2Å; N44-Y75 WeakPolarHBondContact OD1-CA 3.26Å; N44-Y75 WeakPolarHBondContact OD1-CB 3.5Å; I47-Y75 HydrophobicContact CB-CD2 3.94Å; I47-Y75 HydrophobicContact CB-CE2 3.91Å; I47-Y75 HydrophobicContact CB-CG 4.44Å; I47-Y75 HydrophobicContact CD1-CD2 4.32Å; I47-Y75 HydrophobicContact CD1-CG 4.21Å; I47-Y75 HydrophobicContact CG2-CD1 3.94Å; I47-Y75 HydrophobicContact CG2-CD2 3.79Å; I47-Y75 HydrophobicContact CG2-CE1 3.74Å; I47-Y75 HydrophobicContact CG2-CE2 3.56Å; I47-Y75 HydrophobicContact CG2-CG 3.98Å; H48-Y75 HydrophobicContact CB-CE2 4.03Å; H48-Y75 PolarHBondContact ND1-OH 3.09Å; R51-Y75 WeakPolarHBondContact CD-OH 3.41Å; R51-Y75 PolarHBondContact NH1-OH 3.02Å; F71-Y75 WeakPolarHBondContact O-CB 3.47Å; F71-Y75 PolarHBondContact O-N 3.42Å; V72-Y75 PolarHBondContact O-N 3.19Å; I73-Y75 VanDerWaalsContact C-N 3.27Å; I73-Y75 PolarHBondContact O-N 2.74Å; Y75-M77 VanDerWaalsContact C-N 3.34Å; Y75-M77 PolarHBondContact O-N 3.09Å; Y75-S78 WeakPolarHBondContact O-CB 3.49Å; Y75-S78 PolarHBondContact O-N 3.06Å; Y75-V79 HydrophobicContact CD1-CG2 4.5Å; Y75-V79 HydrophobicContact CE1-CG1 4.35Å; Y75-V79 HydrophobicContact CE1-CG2 4.04Å; Y75-V79 HydrophobicContact CE2-CG1 3.93Å; Y75-V79 PolarHBondContact O-N 2.93Å; Y75-V79 VanDerWaalsContact O-N 3.16Å
76V96.5Very high96.6Very high25 Ų2532 Ų3215%0.15216%0.163CC..Hα-helixtrans-58.2-46.2177.1169.60000111V72 I73 S78 V79 T80 L82 A87V72-V76 HydrophobicContact CG1-CG2 4.44Å; V72-V76 VanDerWaalsContact O-CG2 3.3Å; V72-V76 WeakPolarHBondContact O-CG2 3.39Å; V72-V76 PolarHBondContact O-N 3.03Å; I73-V76 PolarHBondContact O-N 3.28Å; V76-S78 PolarHBondContact O-N 3.11Å; V76-V79 PolarHBondContact O-N 3.19Å; V76-T80 HydrophobicContact CG1-CG2 4.41Å; V76-T80 WeakPolarHBondContact O-CB 3.24Å; V76-T80 PolarHBondContact O-N 3.42Å; V76-T80 PolarHBondContact O-OG1 3.34Å; V76-L82 HydrophobicContact CG1-CD1 4.12Å; V76-A87 HydrophobicContact CB-CB 4.14Å; V76-A87 HydrophobicContact CG1-CB 3.74Å
77M95.4Very high96.6Very high2 Ų231.8 Ų31.81%0.0116%0.162CC..Hα-helixtrans-60.8-30.6176.1-68.3167.865.800112.6I73 Y75 W84 A87 L108 F111 E112 R119I73-M77 HydrophobicContact CG2-CG 4.33Å; I73-M77 HydrophobicContact CG2-SD 3.8Å; I73-M77 VanDerWaalsContact O-CG 3.28Å; I73-M77 WeakPolarHBondContact O-CG 2.99Å; I73-M77 PolarHBondContact O-N 3.17Å; Y75-M77 VanDerWaalsContact C-N 3.34Å; Y75-M77 PolarHBondContact O-N 3.09Å; M77-W84 HydrophobicContact CE-CB 3.88Å; M77-W84 WeakPolarHBondContact SD-CA 3.39Å; M77-W84 HydrophobicContact SD-CB 3.51Å; M77-W84 VanDerWaalsContact SD-CB 3.51Å; M77-A87 HydrophobicContact CG-CB 3.8Å; M77-L108 HydrophobicContact SD-CD2 4.3Å; M77-F111 HydrophobicContact CB-CE1 4.3Å; M77-F111 HydrophobicContact CE-CD1 3.82Å; M77-F111 HydrophobicContact CE-CE1 4.47Å; M77-F111 HydrophobicContact SD-CD1 4.16Å; M77-E112 HydrophobicContact CE-CB 3.42Å; M77-E112 VanDerWaalsContact CE-CB 3.42Å; M77-E112 HydrophobicContact CE-CG 3.91Å; M77-R119 PolarHBondContact O-NH2 3.16Å
78S93.6Very high96.6Very high16 Ų1631.6 Ų31.611%0.11216%0.162CC..Hα-helixtrans-74.4-34.3-179.4-57.80000112.1N44 A74 Y75 V76 F111 R119N44-S78 PolarHBondContact ND2-OG 3.17Å; A74-S78 WeakPolarHBondContact O-CB 3.4Å; A74-S78 PolarHBondContact O-N 3.06Å; A74-S78 PolarHBondContact O-OG 2.71Å; Y75-S78 WeakPolarHBondContact O-CB 3.49Å; Y75-S78 PolarHBondContact O-N 3.06Å; V76-S78 PolarHBondContact O-N 3.11Å; S78-F111 WeakPolarHBondContact OG-CZ 3.26Å; S78-R119 PolarHBondContact O-NH2 2.89Å
79V91.6Very high96.6Very high36 Ų3637.3 Ų37.322%0.21819%0.186CC..Hα-helixtrans-104.34.9-175.5-54.20000114.3Y75 V76Y75-V79 HydrophobicContact CD1-CG2 4.5Å; Y75-V79 HydrophobicContact CE1-CG1 4.35Å; Y75-V79 HydrophobicContact CE1-CG2 4.04Å; Y75-V79 HydrophobicContact CE2-CG1 3.93Å; Y75-V79 PolarHBondContact O-N 2.93Å; Y75-V79 VanDerWaalsContact O-N 3.16Å; V76-V79 PolarHBondContact O-N 3.19Å
80T91.4Very high96.6Very high49 Ų4940.5 Ų40.530%0.30121%0.206SC..SBendtrans-144.2160.9178.369.60000110.7V76 L82 R119V76-T80 HydrophobicContact CG1-CG2 4.41Å; V76-T80 WeakPolarHBondContact O-CB 3.24Å; V76-T80 PolarHBondContact O-N 3.42Å; V76-T80 PolarHBondContact O-OG1 3.34Å; T80-L82 PolarHBondContact O-N 2.94Å; T80-L82 VanDerWaalsContact O-N 3.09Å; T80-L82 WeakPolarHBondContact OG1-CG 3.48Å; T80-L82 PolarHBondContact OG1-N 2.97Å; T80-R119 PolarHBondContact O-NH1 2.94Å; T80-R119 PolarHBondContact O-NH2 3.39Å
81D90.4Very high96.6Very high135 Ų13541 Ų4172%0.72221%0.209SC*.SBendtrans-78.716.4176.9-61.5-43.2000114.7R119D81-R119 IonicContact OD1-CZ 3.71Å; D81-R119 IonicContact OD1-NE 2.93Å; D81-R119 PolarHBondContact OD1-NE 2.92Å; D81-R119 IonicContact OD1-NH1 3.17Å
82L94.8Very high96.6Very high58 Ų5846 Ų4630%0.30423%0.227SC..  trans-78.9136.2-179.3-58.4-177000111.7V76 T80 E86 A87 V90V76-L82 HydrophobicContact CG1-CD1 4.12Å; T80-L82 PolarHBondContact O-N 2.94Å; T80-L82 VanDerWaalsContact O-N 3.09Å; T80-L82 WeakPolarHBondContact OG1-CG 3.48Å; T80-L82 PolarHBondContact OG1-N 2.97Å; L82-E86 HydrophobicContact CB-CB 4Å; L82-E86 HydrophobicContact CD2-CB 4.02Å; L82-E86 HydrophobicContact CG-CB 4.4Å; L82-A87 HydrophobicContact CB-CB 4.37Å; L82-V90 HydrophobicContact CD1-CG2 3.85Å
83G96.2Very high96.6Very high10 Ų1048.5 Ų48.510%0.10325%0.247CC..  trans-68.617016300000112R85 E86 A87 E112G83-R85 PolarHBondContact O-N 3.3Å; G83-E86 PolarHBondContact O-N 3.33Å; G83-A87 WeakPolarHBondContact O-CB 3.42Å; G83-A87 PolarHBondContact O-N 2.95Å; G83-E112 WeakPolarHBondContact CA-OE1 3.28Å; G83-E112 WeakPolarHBondContact CA-OE2 3.4Å
84W98.1Very high96.4Very high28 Ų2854.4 Ų54.411%0.10628%0.283CS..Hα-helixtrans-64.2-30.7-173.477-99.5000112.8I73 M77 L88 K105 L108 E112I73-W84 HydrophobicContact CG2-CB 4.35Å; M77-W84 HydrophobicContact CE-CB 3.88Å; M77-W84 WeakPolarHBondContact SD-CA 3.39Å; M77-W84 HydrophobicContact SD-CB 3.51Å; M77-W84 VanDerWaalsContact SD-CB 3.51Å; W84-L88 HydrophobicContact CE3-CD2 4.42Å; W84-L88 HydrophobicContact CZ3-CD2 3.89Å; W84-L88 VanDerWaalsContact O-CB 3.26Å; W84-L88 WeakPolarHBondContact O-CB 3.23Å; W84-L88 PolarHBondContact O-N 3.36Å; W84-K105 HydrophobicContact CH2-CB 4.42Å; W84-K105 HydrophobicContact CH2-CD 4.45Å; W84-K105 HydrophobicContact CH2-CG 4.41Å; W84-K105 HydrophobicContact CZ3-CD 4.48Å; W84-K105 HydrophobicContact CZ3-CG 4.19Å; W84-L108 HydrophobicContact CB-CB 3.94Å; W84-L108 HydrophobicContact CG-CB 4.2Å; W84-E112 PolarHBondContact N-OE2 3.11Å
85R98.6Very high96.4Very high145 Ų14558.4 Ų58.455%0.54730%0.298SS..Hα-helixtrans-71.2-43.1179.6-64.4178.46382.4-4.6110.9G83 L88 K89G83-R85 PolarHBondContact O-N 3.3Å; R85-L88 PolarHBondContact O-N 3.43Å; R85-K89 WeakPolarHBondContact O-CG 3.07Å; R85-K89 PolarHBondContact O-N 3.28Å
86E98.5Very high96.4Very high71 Ų7164.6 Ų64.633%0.33233%0.328SS..Hα-helixtrans-67.9-45.1178.1-73.753.5-118.900110.2L82 G83 L88 K89 V90L82-E86 HydrophobicContact CB-CB 4Å; L82-E86 HydrophobicContact CD2-CB 4.02Å; L82-E86 HydrophobicContact CG-CB 4.4Å; G83-E86 PolarHBondContact O-N 3.33Å; E86-L88 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 2.84Å; E86-K89 WeakPolarHBondContact O-CB 3.46Å; E86-K89 PolarHBondContact O-N 3.36Å; E86-K89 VanDerWaalsContact O-N 3.09Å; E86-K89 IonicContact OE1-NZ 2.85Å; E86-K89 PolarHBondContact OE1-NZ 3.44Å; E86-V90 WeakPolarHBondContact O-CG2 3.46Å; E86-V90 PolarHBondContact O-N 3.48Å
87A98.2Very high96.4Very high0 Ų070 Ų700%035%0.345CS..Hα-helixtrans-59.4-41.4172.500000111.8I73 V76 M77 L82 G83 K89 V90 V91I73-A87 HydrophobicContact CG2-CB 3.86Å; V76-A87 HydrophobicContact CB-CB 4.14Å; V76-A87 HydrophobicContact CG1-CB 3.74Å; M77-A87 HydrophobicContact CG-CB 3.8Å; L82-A87 HydrophobicContact CB-CB 4.37Å; G83-A87 WeakPolarHBondContact O-CB 3.42Å; G83-A87 PolarHBondContact O-N 2.95Å; A87-K89 VanDerWaalsContact C-N 3.35Å; A87-K89 PolarHBondContact O-N 3.49Å; A87-V90 PolarHBondContact O-N 2.85Å; A87-V91 WeakPolarHBondContact O-CG2 3.49Å; A87-V91 PolarHBondContact O-N 3.39Å
88L98.7Very high96.6Very high11 Ų1170 Ų706%0.05835%0.345CS..Hα-helixtrans-62.7-38173.3175.461.7000112.5V69 I73 W84 R85 E86 V91 R92 A98V69-L88 HydrophobicContact CG1-CD1 4.36Å; I73-L88 HydrophobicContact CD1-CB 3.93Å; I73-L88 HydrophobicContact CD1-CD1 3.64Å; I73-L88 HydrophobicContact CD1-CG 4.3Å; I73-L88 HydrophobicContact CG1-CB 4.4Å; W84-L88 HydrophobicContact CE3-CD2 4.42Å; W84-L88 HydrophobicContact CZ3-CD2 3.89Å; W84-L88 VanDerWaalsContact O-CB 3.26Å; W84-L88 WeakPolarHBondContact O-CB 3.23Å; W84-L88 PolarHBondContact O-N 3.36Å; R85-L88 PolarHBondContact O-N 3.43Å; E86-L88 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 2.84Å; L88-V91 PolarHBondContact O-N 3.04Å; L88-R92 HydrophobicContact CD1-CG 4.15Å; L88-R92 WeakPolarHBondContact O-CB 3.33Å; L88-R92 WeakPolarHBondContact O-CG 3.48Å; L88-R92 PolarHBondContact O-N 3.45Å; L88-A98 HydrophobicContact CD1-CB 4.32Å
89K98.6Very high96.8Very high126 Ų12671.3 Ų71.355%0.54836%0.355SS..Hα-helixtrans-62-43.9174.1-70.1167.4-172.31600111.1R85 E86 A87 V91 R92 S93R85-K89 WeakPolarHBondContact O-CG 3.07Å; R85-K89 PolarHBondContact O-N 3.28Å; E86-K89 WeakPolarHBondContact O-CB 3.46Å; E86-K89 PolarHBondContact O-N 3.36Å; E86-K89 VanDerWaalsContact O-N 3.09Å; E86-K89 IonicContact OE1-NZ 2.85Å; E86-K89 PolarHBondContact OE1-NZ 3.44Å; A87-K89 VanDerWaalsContact C-N 3.35Å; A87-K89 PolarHBondContact O-N 3.49Å; K89-V91 PolarHBondContact O-N 3.37Å; K89-R92 PolarHBondContact O-N 2.93Å; K89-S93 PolarHBondContact O-N 3.09Å
90V98.2Very high97.2Very high74 Ų7469.7 Ų69.745%0.44835%0.345SS..Hα-helixtrans-60.6-44.2175.4173.60000111.1L82 E86 A87 R92 S93L82-V90 HydrophobicContact CD1-CG2 3.85Å; E86-V90 WeakPolarHBondContact O-CG2 3.46Å; E86-V90 PolarHBondContact O-N 3.48Å; A87-V90 PolarHBondContact O-N 2.85Å; V90-R92 VanDerWaalsContact C-N 3.31Å; V90-R92 PolarHBondContact O-N 3.05Å; V90-S93 PolarHBondContact O-N 3.36Å; V90-S93 PolarHBondContact O-OG 3.42Å
91V98.3Very high97.5Very high12 Ų1268.5 Ų68.57%0.07334%0.337CS..Hα-helixtrans-64.8-38.1176.1177.40000111.2V69 V72 I73 A87 L88 K89 S93 T94 R95 A98V69-V91 HydrophobicContact CG1-CG1 4.21Å; V72-V91 HydrophobicContact CB-CG2 4.49Å; V72-V91 HydrophobicContact CG1-CG2 3.68Å; I73-V91 HydrophobicContact CG1-CG2 4Å; A87-V91 WeakPolarHBondContact O-CG2 3.49Å; A87-V91 PolarHBondContact O-N 3.39Å; L88-V91 PolarHBondContact O-N 3.04Å; K89-V91 PolarHBondContact O-N 3.37Å; V91-S93 VanDerWaalsContact C-N 3.32Å; V91-S93 PolarHBondContact O-N 3.41Å; V91-T94 PolarHBondContact O-N 3.09Å; V91-T94 PolarHBondContact O-OG1 3.29Å; V91-T94 VanDerWaalsContact O-OG1 3.11Å; V91-R95 PolarHBondContact O-N 3.18Å; V91-A98 HydrophobicContact CG1-CB 3.85Å
92R98.6Very high97.9Very high104 Ų10467.6 Ų67.639%0.39233%0.326SS..Hα-helixtrans-68.1-26.2179-80.2177.5171.4177.5-4.8114.4L88 K89 V90 T94 R95 H96 A98L88-R92 HydrophobicContact CD1-CG 4.15Å; L88-R92 WeakPolarHBondContact O-CB 3.33Å; L88-R92 WeakPolarHBondContact O-CG 3.48Å; L88-R92 PolarHBondContact O-N 3.45Å; K89-R92 PolarHBondContact O-N 2.93Å; V90-R92 VanDerWaalsContact C-N 3.31Å; V90-R92 PolarHBondContact O-N 3.05Å; R92-T94 PolarHBondContact O-N 3.32Å; R92-R95 WeakPolarHBondContact CA-O 3.35Å; R92-R95 CarbonylContact O-C 3.28Å; R92-R95 PolarHBondContact O-N 3.33Å; R92-H96 WeakPolarHBondContact O-CA 3.45Å; R92-H96 PolarHBondContact O-N 2.95Å; R92-A98 HydrophobicContact CG-CB 3.92Å; R92-A98 PolarHBondContact NE-O 3.25Å; R92-A98 PolarHBondContact NH2-O 3.22Å
93S98.1Very high98.1Very high100 Ų10064.9 Ų64.970%0.69931%0.313SS*.Hα-helixtrans-64.6-26.517774.30000112.5K89 V90 V91K89-S93 PolarHBondContact O-N 3.09Å; V90-S93 PolarHBondContact O-N 3.36Å; V90-S93 PolarHBondContact O-OG 3.42Å; V91-S93 VanDerWaalsContact C-N 3.32Å; V91-S93 PolarHBondContact O-N 3.41Å
94T95.5Very high98.2Very high124 Ų12464.4 Ų64.476%0.76131%0.308SS*.Hα-helixtrans-104.1-29.6175.659.20000112.5V91 R92V91-T94 PolarHBondContact O-N 3.09Å; V91-T94 PolarHBondContact O-OG1 3.29Å; V91-T94 VanDerWaalsContact O-OG1 3.11Å; R92-T94 PolarHBondContact O-N 3.32Å
95R97.5Very high98.2Very high84 Ų8465.7 Ų65.732%0.31731%0.314SS..  trans-130.780.1-179.4-174.770.8-171.2120.5-3.1110.7G64 V91 R92 R97 A98G64-R95 PolarHBondContact O-NE 3.23Å; G64-R95 VanDerWaalsContact O-NE 3.11Å; G64-R95 PolarHBondContact O-NH2 3.43Å; V91-R95 PolarHBondContact O-N 3.18Å; R92-R95 WeakPolarHBondContact CA-O 3.35Å; R92-R95 CarbonylContact O-C 3.28Å; R92-R95 PolarHBondContact O-N 3.33Å; R95-R97 PolarHBondContact O-N 2.89Å; R95-A98 HydrophobicContact CB-CB 4.43Å; R95-A98 HydrophobicContact CG-CB 4.26Å; R95-A98 WeakPolarHBondContact O-CB 3.12Å; R95-A98 PolarHBondContact O-N 2.87Å
96H97.3Very high98.2Very high146 Ų14665.5 Ų65.568%0.67631%0.313SS*.THydrogen-bonded Turntrans-53.2-31.3-175.166.9-88.4000115R92 A98R92-H96 WeakPolarHBondContact O-CA 3.45Å; R92-H96 PolarHBondContact O-N 2.95Å; H96-A98 VanDerWaalsContact C-N 3.26Å; H96-A98 PolarHBondContact O-N 2.83Å
97R97.9Very high98.2Very high140 Ų14063.6 Ų63.653%0.52831%0.305SS..THydrogen-bonded Turntrans-77.9-1.6177.6-60.7-172.956.8-166.5-1.5114.8I65 R95 S99I65-R97 VanDerWaalsContact CD1-NH2 3.28Å; I65-R97 HydrophobicContact CG1-CB 4.47Å; R95-R97 PolarHBondContact O-N 2.89Å; R97-S99 PolarHBondContact O-N 2.97Å; R97-S99 VanDerWaalsContact O-N 3.13Å
98A98.6Very high98.3Very high0 Ų063.7 Ų63.70%031%0.305CS..  trans-56.6117.7178.500000110.8V69 L88 V91 R92 R95 H96V69-A98 HydrophobicContact CB-CB 4.38Å; V69-A98 HydrophobicContact CG1-CB 3.66Å; V69-A98 HydrophobicContact CG2-CB 3.79Å; L88-A98 HydrophobicContact CD1-CB 4.32Å; V91-A98 HydrophobicContact CG1-CB 3.85Å; R92-A98 HydrophobicContact CG-CB 3.92Å; R92-A98 PolarHBondContact NE-O 3.25Å; R92-A98 PolarHBondContact NH2-O 3.22Å; R95-A98 HydrophobicContact CB-CB 4.43Å; R95-A98 HydrophobicContact CG-CB 4.26Å; R95-A98 WeakPolarHBondContact O-CB 3.12Å; R95-A98 PolarHBondContact O-N 2.87Å; H96-A98 VanDerWaalsContact C-N 3.26Å; H96-A98 PolarHBondContact O-N 2.83Å
99S98.5Very high98.2Very high45 Ų4567.9 Ų67.932%0.31532%0.324SS..  trans-159.790.2-178.4-174.60000110.2I65 R97I65-S99 WeakPolarHBondContact CG2-O 3.45Å; I65-S99 CarbonylContact O-C 3.54Å; I65-S99 VanDerWaalsContact O-C 3.28Å; I65-S99 PolarHBondContact O-N 2.83Å; R97-S99 PolarHBondContact O-N 2.97Å; R97-S99 VanDerWaalsContact O-N 3.13Å
100P98.8Very high98.1Very high1 Ų164.4 Ų64.41%0.00632%0.319CS..  trans-52.4146.1167.4-26.336.6000111.7V69 T70 I73 F104 K105 L108V69-P100 HydrophobicContact CG1-CG 3.86Å; T70-P100 WeakPolarHBondContact OG1-CB 3.5Å; I73-P100 HydrophobicContact CD1-CG 3.84Å; P100-F104 HydrophobicContact CB-CB 3.97Å; P100-K105 HydrophobicContact CB-CG 4.04Å; P100-K105 WeakPolarHBondContact O-CE 3.37Å; P100-K105 PolarHBondContact O-NZ 3.22Å; P100-L108 HydrophobicContact CG-CD1 4.32Å
101N98.7Very high98Very high25 Ų2562.1 Ų62.113%0.13430%0.303CS..  trans-60.4167.9169.973.436000110.9D30 Q31 E32 S66 G103 F104 K105D30-N101 PolarHBondContact O-ND2 3.18Å; D30-N101 PolarHBondContact OD1-ND2 3.38Å; Q31-N101 PolarHBondContact O-ND2 3.3Å; E32-N101 HydrophobicContact CG-CB 4.12Å; S66-N101 PolarHBondContact OG-N 2.89Å; N101-G103 PolarHBondContact O-N 3.38Å; N101-G103 PolarHBondContact OD1-N 3.26Å; N101-F104 WeakPolarHBondContact ND2-CD2 3.34Å; N101-F104 VanDerWaalsContact ND2-CE2 3.3Å; N101-F104 WeakPolarHBondContact ND2-CE2 3.34Å; N101-F104 PolarHBondContact O-N 3.27Å; N101-F104 WeakPolarHBondContact OD1-CB 3.33Å; N101-F104 VanDerWaalsContact OD1-CG 3.27Å; N101-F104 WeakPolarHBondContact OD1-CG 3.27Å; N101-F104 PolarHBondContact OD1-N 2.9Å; N101-K105 WeakPolarHBondContact O-CG 3.26Å; N101-K105 PolarHBondContact O-N 3.49Å
102F98.3Very high97.9Very high115 Ų11564.4 Ų64.450%0.50431%0.313SS..Hα-helixtrans-65.5-40.7-173.1178.9-102.6000112.5E32 F104 K105 R106E32-F102 WeakPolarHBondContact OE1-CB 3.35Å; F102-F104 PolarHBondContact O-N 3.47Å; F102-K105 PolarHBondContact O-N 2.87Å; F102-R106 HydrophobicContact CE1-CG 4.15Å; F102-R106 HydrophobicContact CZ-CG 4.19Å; F102-R106 PolarHBondContact O-N 3.16Å
103G98.7Very high97.6Very high2 Ų266.4 Ų66.42%0.02132%0.324CS..Hα-helixtrans-55.9-46.117400000113.1N101 R106 Q107N101-G103 PolarHBondContact O-N 3.38Å; N101-G103 PolarHBondContact OD1-N 3.26Å; G103-R106 PolarHBondContact O-N 3.14Å; G103-Q107 WeakPolarHBondContact O-CG 3.36Å; G103-Q107 PolarHBondContact O-N 3.31Å
104F98.7Very high97.2Very high0 Ų064.4 Ų64.40%031%0.31CS..Hα-helixtrans-67.8-34.6177.6-67.4-12.8000112.9I28 D30 E34 I36 S66 R67 T70 P100 N101 F102 Q107 L108I28-F104 HydrophobicContact CD1-CZ 4.49Å; D30-F104 WeakPolarHBondContact OD1-CE2 3.43Å; E34-F104 HydrophobicContact CB-CE1 3.9Å; E34-F104 HydrophobicContact CB-CZ 4.1Å; I36-F104 HydrophobicContact CB-CD1 3.99Å; I36-F104 HydrophobicContact CB-CE1 3.86Å; I36-F104 HydrophobicContact CB-CZ 4.45Å; I36-F104 HydrophobicContact CD1-CD1 4.31Å; I36-F104 HydrophobicContact CD1-CD2 4.1Å; I36-F104 HydrophobicContact CD1-CE1 4.2Å; I36-F104 HydrophobicContact CD1-CE2 4Å; I36-F104 HydrophobicContact CD1-CG 4.28Å; I36-F104 HydrophobicContact CD1-CZ 4.05Å; I36-F104 HydrophobicContact CG2-CD1 3.9Å; I36-F104 HydrophobicContact CG2-CE1 4.31Å; I36-F104 HydrophobicContact CG2-CG 4.41Å; S66-F104 WeakPolarHBondContact OG-CD2 3.45Å; R67-F104 HydrophobicContact CG-CE2 3.78Å; R67-F104 HydrophobicContact CG-CZ 4.32Å; T70-F104 HydrophobicContact CG2-CB 3.99Å; T70-F104 HydrophobicContact CG2-CG 4.38Å; P100-F104 HydrophobicContact CB-CB 3.97Å; N101-F104 WeakPolarHBondContact ND2-CD2 3.34Å; N101-F104 VanDerWaalsContact ND2-CE2 3.3Å; N101-F104 WeakPolarHBondContact ND2-CE2 3.34Å; N101-F104 PolarHBondContact O-N 3.27Å; N101-F104 WeakPolarHBondContact OD1-CB 3.33Å; N101-F104 VanDerWaalsContact OD1-CG 3.27Å; N101-F104 WeakPolarHBondContact OD1-CG 3.27Å; N101-F104 PolarHBondContact OD1-N 2.9Å; F102-F104 PolarHBondContact O-N 3.47Å; F104-Q107 PolarHBondContact O-N 2.71Å; F104-L108 WeakPolarHBondContact O-CB 3.39Å; F104-L108 WeakPolarHBondContact O-CG 3.42Å; F104-L108 PolarHBondContact O-N 3.21Å
105K98.8Very high96.7Very high54 Ų5458.8 Ų58.824%0.23528%0.276CS..Hα-helixtrans-63.7-42.3172.1-70.8173.6179.3140.70111.9W84 P100 N101 F102 Q107 L108 Q109W84-K105 HydrophobicContact CH2-CB 4.42Å; W84-K105 HydrophobicContact CH2-CD 4.45Å; W84-K105 HydrophobicContact CH2-CG 4.41Å; W84-K105 HydrophobicContact CZ3-CD 4.48Å; W84-K105 HydrophobicContact CZ3-CG 4.19Å; P100-K105 HydrophobicContact CB-CG 4.04Å; P100-K105 WeakPolarHBondContact O-CE 3.37Å; P100-K105 PolarHBondContact O-NZ 3.22Å; N101-K105 WeakPolarHBondContact O-CG 3.26Å; N101-K105 PolarHBondContact O-N 3.49Å; F102-K105 PolarHBondContact O-N 2.87Å; K105-Q107 VanDerWaalsContact C-N 3.32Å; K105-Q107 PolarHBondContact O-N 3.27Å; K105-L108 PolarHBondContact O-N 3.11Å; K105-Q109 PolarHBondContact O-N 3.19Å
106R98.5Very high95.8Very high142 Ų14257.5 Ų57.554%0.53628%0.28SS..Hα-helixtrans-62-41.9174.7-69-163.8-61.2-156.1-2.4111.6F102 G103 Q109 A110F102-R106 HydrophobicContact CE1-CG 4.15Å; F102-R106 HydrophobicContact CZ-CG 4.19Å; F102-R106 PolarHBondContact O-N 3.16Å; G103-R106 PolarHBondContact O-N 3.14Å; R106-Q109 WeakPolarHBondContact O-CB 3.07Å; R106-Q109 PolarHBondContact O-N 3.01Å; R106-A110 PolarHBondContact O-N 2.84Å
107Q98.5Very high94.8Very high31 Ų3157.1 Ų57.115%0.14528%0.276CS..Hα-helixtrans-63.7-42.8175.7-76.8-179.567.300112.2E34 I36 L37 G103 F104 K105 Q109 A110 F111E34-Q107 PolarHBondContact O-NE2 3.43Å; I36-Q107 HydrophobicContact CG2-CB 4.34Å; L37-Q107 HydrophobicContact CD1-CB 4.01Å; L37-Q107 HydrophobicContact CD1-CG 4.29Å; L37-Q107 HydrophobicContact CD2-CB 4.05Å; L37-Q107 HydrophobicContact CG-CB 3.82Å; L37-Q107 HydrophobicContact CG-CG 4.21Å; G103-Q107 WeakPolarHBondContact O-CG 3.36Å; G103-Q107 PolarHBondContact O-N 3.31Å; F104-Q107 PolarHBondContact O-N 2.71Å; K105-Q107 VanDerWaalsContact C-N 3.32Å; K105-Q107 PolarHBondContact O-N 3.27Å; Q107-Q109 VanDerWaalsContact C-N 3.31Å; Q107-Q109 PolarHBondContact O-N 3.49Å; Q107-A110 WeakPolarHBondContact O-CB 3.19Å; Q107-A110 PolarHBondContact O-N 3.44Å; Q107-A110 VanDerWaalsContact O-N 3.16Å; Q107-F111 WeakPolarHBondContact O-CB 3.44Å; Q107-F111 PolarHBondContact O-N 2.89Å
108L98.6Very high93.7Very high1 Ų152.4 Ų52.41%0.00527%0.265CS..Hα-helixtrans-60.3-39.1173.1-75.5170.8000112.6T70 I73 A74 M77 W84 P100 F104 K105 A110 F111 E112T70-L108 HydrophobicContact CG2-CD1 3.95Å; T70-L108 HydrophobicContact CG2-CD2 3.94Å; T70-L108 HydrophobicContact CG2-CG 3.83Å; I73-L108 HydrophobicContact CB-CD1 4.23Å; I73-L108 HydrophobicContact CB-CD2 4.21Å; I73-L108 HydrophobicContact CD1-CD1 4Å; I73-L108 HydrophobicContact CG2-CD1 3.87Å; I73-L108 HydrophobicContact CG2-CD2 3.83Å; I73-L108 HydrophobicContact CG2-CG 4.44Å; A74-L108 HydrophobicContact CB-CD2 4.13Å; M77-L108 HydrophobicContact SD-CD2 4.3Å; W84-L108 HydrophobicContact CB-CB 3.94Å; W84-L108 HydrophobicContact CG-CB 4.2Å; P100-L108 HydrophobicContact CG-CD1 4.32Å; F104-L108 WeakPolarHBondContact O-CB 3.39Å; F104-L108 WeakPolarHBondContact O-CG 3.42Å; F104-L108 PolarHBondContact O-N 3.21Å; K105-L108 PolarHBondContact O-N 3.11Å; L108-A110 VanDerWaalsContact C-N 3.34Å; L108-F111 PolarHBondContact O-N 2.88Å; L108-E112 PolarHBondContact O-N 3.37Å
109Q98Very high92.4Very high100 Ų10055 Ų5547%0.46728%0.275SS..Hα-helixtrans-65-37.5174.9-172.1-179.38.400112.4K105 R106 Q107K105-Q109 PolarHBondContact O-N 3.19Å; R106-Q109 WeakPolarHBondContact O-CB 3.07Å; R106-Q109 PolarHBondContact O-N 3.01Å; Q107-Q109 VanDerWaalsContact C-N 3.31Å; Q107-Q109 PolarHBondContact O-N 3.49Å
110A96.5Very high91.2Very high52 Ų5261 Ų6143%0.4330%0.296SS..Hα-helixtrans-66.5-41.5172.600000111.4L37 R106 Q107 L108 E112 K113 S114L37-A110 HydrophobicContact CD1-CB 4.49Å; R106-A110 PolarHBondContact O-N 2.84Å; Q107-A110 WeakPolarHBondContact O-CB 3.19Å; Q107-A110 PolarHBondContact O-N 3.44Å; Q107-A110 VanDerWaalsContact O-N 3.16Å; L108-A110 VanDerWaalsContact C-N 3.34Å; A110-E112 PolarHBondContact O-N 3.18Å; A110-K113 WeakPolarHBondContact O-CB 3.48Å; A110-K113 PolarHBondContact O-N 3.41Å; A110-S114 PolarHBondContact O-N 3.04Å
111F96Very high89.9Confident27 Ų2764.3 Ų64.312%0.11831%0.313CS..Hα-helixtrans-63-37.4176.4-177.2-110000113L37 V40 A74 M77 S78 Q107 L108 K113 S114 V115L37-F111 HydrophobicContact CD2-CB 3.86Å; L37-F111 HydrophobicContact CD2-CD2 4.48Å; L37-F111 HydrophobicContact CD2-CG 4.36Å; V40-F111 HydrophobicContact CG1-CD2 4.4Å; V40-F111 HydrophobicContact CG1-CE1 4.38Å; V40-F111 HydrophobicContact CG1-CE2 3.73Å; V40-F111 HydrophobicContact CG1-CZ 3.71Å; A74-F111 HydrophobicContact CB-CD1 4.19Å; A74-F111 HydrophobicContact CB-CE1 3.94Å; A74-F111 WeakPolarHBondContact O-CE1 3.27Å; M77-F111 HydrophobicContact CB-CE1 4.3Å; M77-F111 HydrophobicContact CE-CD1 3.82Å; M77-F111 HydrophobicContact CE-CE1 4.47Å; M77-F111 HydrophobicContact SD-CD1 4.16Å; S78-F111 WeakPolarHBondContact OG-CZ 3.26Å; Q107-F111 WeakPolarHBondContact O-CB 3.44Å; Q107-F111 PolarHBondContact O-N 2.89Å; L108-F111 PolarHBondContact O-N 2.88Å; F111-K113 VanDerWaalsContact C-N 3.25Å; F111-K113 PolarHBondContact O-N 2.99Å; F111-S114 PolarHBondContact O-N 3.25Å; F111-S114 VanDerWaalsContact O-N 3.14Å; F111-S114 PolarHBondContact O-OG 2.91Å; F111-V115 HydrophobicContact CD1-CG2 4.01Å; F111-V115 HydrophobicContact CD2-CG2 4.23Å; F111-V115 HydrophobicContact CE1-CG2 3.51Å; F111-V115 HydrophobicContact CE2-CG2 3.76Å; F111-V115 HydrophobicContact CG-CG2 4.35Å; F111-V115 HydrophobicContact CZ-CG2 3.36Å; F111-V115 WeakPolarHBondContact O-CG2 3.18Å; F111-V115 PolarHBondContact O-N 3.37Å
112E95.5Very high88.5Confident60 Ų6068 Ų6828%0.2833%0.33SS..Hα-helixtrans-56.1-42.2174.2-171.2173.1153.800111.9M77 G83 W84 L108 A110 S116M77-E112 HydrophobicContact CE-CB 3.42Å; M77-E112 VanDerWaalsContact CE-CB 3.42Å; M77-E112 HydrophobicContact CE-CG 3.91Å; G83-E112 WeakPolarHBondContact CA-OE1 3.28Å; G83-E112 WeakPolarHBondContact CA-OE2 3.4Å; W84-E112 PolarHBondContact N-OE2 3.11Å; L108-E112 PolarHBondContact O-N 3.37Å; A110-E112 PolarHBondContact O-N 3.18Å; E112-S116 VanDerWaalsContact O-CB 3.3Å; E112-S116 WeakPolarHBondContact O-CB 3.3Å; E112-S116 PolarHBondContact O-N 2.99Å; E112-S116 PolarHBondContact O-OG 2.83Å
113K92.6Very high86.6Confident145 Ų14566.9 Ų66.963%0.6333%0.334SS*.Hα-helixtrans-65.4-41177.9-62.7176.1-179.9-177.80111.6A110 F111 F117A110-K113 WeakPolarHBondContact O-CB 3.48Å; A110-K113 PolarHBondContact O-N 3.41Å; F111-K113 VanDerWaalsContact C-N 3.25Å; F111-K113 PolarHBondContact O-N 2.99Å; K113-F117 WeakPolarHBondContact O-CB 3.26Å; K113-F117 PolarHBondContact O-N 2.6Å
114S89.2Confident84.6Confident58 Ų5873.9 Ų73.941%0.40637%0.37SS..Hα-helixtrans-68.1-43.117968.40000111.9A110 F111 F117 S118A110-S114 PolarHBondContact O-N 3.04Å; F111-S114 PolarHBondContact O-N 3.25Å; F111-S114 VanDerWaalsContact O-N 3.14Å; F111-S114 PolarHBondContact O-OG 2.91Å; S114-F117 PolarHBondContact O-N 3.25Å; S114-S118 PolarHBondContact O-N 2.81Å; S114-S118 PolarHBondContact O-OG 3.04Å
115V85.4Confident82.8Confident6 Ų677.7 Ų77.74%0.03639%0.387CS..Hα-helixtrans-63.4-44.2176.2173.40000111F111 F117 S118 R119 L126F111-V115 HydrophobicContact CD1-CG2 4.01Å; F111-V115 HydrophobicContact CD2-CG2 4.23Å; F111-V115 HydrophobicContact CE1-CG2 3.51Å; F111-V115 HydrophobicContact CE2-CG2 3.76Å; F111-V115 HydrophobicContact CG-CG2 4.35Å; F111-V115 HydrophobicContact CZ-CG2 3.36Å; F111-V115 WeakPolarHBondContact O-CG2 3.18Å; F111-V115 PolarHBondContact O-N 3.37Å; V115-F117 VanDerWaalsContact C-N 3.3Å; V115-F117 PolarHBondContact O-N 2.97Å; V115-S118 PolarHBondContact O-N 2.93Å; V115-R119 PolarHBondContact O-N 3.46Å; V115-L126 HydrophobicContact CG1-CD1 4.4Å; V115-L126 HydrophobicContact CG1-CD2 4.02Å
116S78.7Confident80.7Confident57 Ų5777 Ų7740%0.39939%0.386SS..Hα-helixtrans-62.5-39.6178-56.70000111.7E112 R119 F120E112-S116 VanDerWaalsContact O-CB 3.3Å; E112-S116 WeakPolarHBondContact O-CB 3.3Å; E112-S116 PolarHBondContact O-N 2.99Å; E112-S116 PolarHBondContact O-OG 2.83Å; S116-R119 WeakPolarHBondContact O-CB 3.37Å; S116-R119 PolarHBondContact O-N 3.34Å; S116-F120 PolarHBondContact O-N 3.3Å; S116-F120 VanDerWaalsContact O-N 3.08Å
117F76Confident78.6Confident138 Ų13876.9 Ų76.961%0.60539%0.39SS*.Hα-helixtrans-64.3-42.8174-174.4-96.7000111.9K113 S114 V115 R119 F120 N121K113-F117 WeakPolarHBondContact O-CB 3.26Å; K113-F117 PolarHBondContact O-N 2.6Å; S114-F117 PolarHBondContact O-N 3.25Å; V115-F117 VanDerWaalsContact C-N 3.3Å; V115-F117 PolarHBondContact O-N 2.97Å; F117-R119 PolarHBondContact O-N 2.57Å; F117-F120 PolarHBondContact O-N 3.31Å; F117-N121 WeakPolarHBondContact CD2-ND2 3.27Å; F117-N121 VanDerWaalsContact CE1-ND2 3.33Å; F117-N121 WeakPolarHBondContact CE1-ND2 3.46Å; F117-N121 WeakPolarHBondContact CE2-ND2 3.5Å; F117-N121 WeakPolarHBondContact CZ-ND2 3.41Å; F117-N121 PolarHBondContact O-N 3.21Å; F117-N121 PolarHBondContact O-ND2 3.05Å
118S74.7Confident76.2Confident42 Ų4278.9 Ų78.929%0.29440%0.401SS..Hα-helixtrans-63.9-36.9174.5-64.50000112.6S114 V115 H122S114-S118 PolarHBondContact O-N 2.81Å; S114-S118 PolarHBondContact O-OG 3.04Å; V115-S118 PolarHBondContact O-N 2.93Å; S118-H122 CarbonylContact O-C 3.58Å; S118-H122 VanDerWaalsContact O-C 3.3Å; S118-H122 WeakPolarHBondContact O-CA 3.47Å; S118-H122 PolarHBondContact O-N 3.06Å
119R72.8Confident73.8Confident53 Ų5379.7 Ų79.720%0.241%0.407CS..Hα-helixtrans-59.6-47.4173.1-76.3-175.1174.1130.413.6111.6M77 S78 T80 D81 V115 S116 F117 P123 L126M77-R119 PolarHBondContact O-NH2 3.16Å; S78-R119 PolarHBondContact O-NH2 2.89Å; T80-R119 PolarHBondContact O-NH1 2.94Å; T80-R119 PolarHBondContact O-NH2 3.39Å; D81-R119 IonicContact OD1-CZ 3.71Å; D81-R119 IonicContact OD1-NE 2.93Å; D81-R119 PolarHBondContact OD1-NE 2.92Å; D81-R119 IonicContact OD1-NH1 3.17Å; V115-R119 PolarHBondContact O-N 3.46Å; S116-R119 WeakPolarHBondContact O-CB 3.37Å; S116-R119 PolarHBondContact O-N 3.34Å; F117-R119 PolarHBondContact O-N 2.57Å; R119-P123 WeakPolarHBondContact O-CA 3.45Å; R119-P123 WeakPolarHBondContact O-CG 3.49Å; R119-L126 HydrophobicContact CB-CD1 3.91Å; R119-L126 HydrophobicContact CG-CD1 2.96Å; R119-L126 HydrophobicContact CG-CG 4.45Å
120F72.8Confident71.8Confident172 Ų17277.5 Ų77.575%0.75440%0.402SS*.Hα-helixtrans-66.2-43-176.2-172.9-98.8000112S116 F117S116-F120 PolarHBondContact O-N 3.3Å; S116-F120 VanDerWaalsContact O-N 3.08Å; F117-F120 PolarHBondContact O-N 3.31Å
121N70.3Confident69.2Low71 Ų7181.9 Ų81.938%0.3841%0.412SS..Hα-helixtrans-88.5-28.2-176-66.9-77.8000113.6F117F117-N121 WeakPolarHBondContact CD2-ND2 3.27Å; F117-N121 VanDerWaalsContact CE1-ND2 3.33Å; F117-N121 WeakPolarHBondContact CE1-ND2 3.46Å; F117-N121 WeakPolarHBondContact CE2-ND2 3.5Å; F117-N121 WeakPolarHBondContact CZ-ND2 3.41Å; F117-N121 PolarHBondContact O-N 3.21Å; F117-N121 PolarHBondContact O-ND2 3.05Å
122H69.5Low66.5Low103 Ų10385 Ų8548%0.47743%0.426SS..  trans-14170.6-175.5-60-54.8000112.1S118 L124 Q125S118-H122 CarbonylContact O-C 3.58Å; S118-H122 VanDerWaalsContact O-C 3.3Å; S118-H122 WeakPolarHBondContact O-CA 3.47Å; S118-H122 PolarHBondContact O-N 3.06Å; H122-L124 PolarHBondContact O-N 3.35Å; H122-Q125 HydrophobicContact CB-CB 3.73Å; H122-Q125 PolarHBondContact O-N 2.86Å
123P59.1Low64.3Low91 Ų9184.1 Ų84.159%0.59142%0.424SS*.THydrogen-bonded Turntrans-53.2-33-175.4-26.232.8000114.4R119R119-P123 WeakPolarHBondContact O-CA 3.45Å; R119-P123 WeakPolarHBondContact O-CG 3.49Å
124L57.6Low62.1Low148 Ų14880.9 Ų80.978%0.77542%0.42SS*.THydrogen-bonded Turntrans-80.3-17.1-179.1-61.9-179000114.2H122 L128H122-L124 PolarHBondContact O-N 3.35Å; L124-L128 WeakPolarHBondContact O-CG 3.06Å
125Q59.6Low59.6Low80 Ų8082.3 Ų82.337%0.37442%0.423SS..THydrogen-bonded Turntrans-84.5-20.2-165.7-159174.453.600113.8H122 F127 L128 T133H122-Q125 HydrophobicContact CB-CB 3.73Å; H122-Q125 PolarHBondContact O-N 2.86Å; Q125-F127 VanDerWaalsContact C-N 3.34Å; Q125-F127 PolarHBondContact O-N 3.42Å; Q125-L128 PolarHBondContact O-N 3.35Å; Q125-T133 HydrophobicContact CG-CG2 3.69Å; Q125-T133 VanDerWaalsContact NE2-CG2 3.32Å
126L55.7Low57.7Low40 Ų4086.3 Ų86.321%0.20945%0.45CS..THydrogen-bonded Turntrans-76.2-20.9-177.6-78.1157.4000114.7V115 R119 L128V115-L126 HydrophobicContact CG1-CD1 4.4Å; V115-L126 HydrophobicContact CG1-CD2 4.02Å; R119-L126 HydrophobicContact CB-CD1 3.91Å; R119-L126 HydrophobicContact CG-CD1 2.96Å; R119-L126 HydrophobicContact CG-CG 4.45Å; L126-L128 VanDerWaalsContact C-N 3.31Å
127F53.8Low56.1Low139 Ų13992.3 Ų92.361%0.6147%0.47SS*.THydrogen-bonded Turntrans-89.2-3.7171.9-67.2-75.6000112.6Q125 P129Q125-F127 VanDerWaalsContact C-N 3.34Å; Q125-F127 PolarHBondContact O-N 3.42Å; F127-P129 VanDerWaalsContact O-CD 3.28Å; F127-P129 WeakPolarHBondContact O-CD 3.49Å
128L48.3Very low54.5Low74 Ų7489.5 Ų89.539%0.38747%0.467SS..SBendtrans-97.7108.5-179.9-67.9-177.3000108.2L124 Q125 L126 F132L124-L128 WeakPolarHBondContact O-CG 3.06Å; Q125-L128 PolarHBondContact O-N 3.35Å; L126-L128 VanDerWaalsContact C-N 3.31Å; L128-F132 HydrophobicContact CB-CB 3.94Å; L128-F132 HydrophobicContact CB-CD2 4.43Å; L128-F132 HydrophobicContact CD1-CB 4.32Å; L128-F132 HydrophobicContact CD2-CB 4.01Å; L128-F132 HydrophobicContact CD2-CD2 3.91Å; L128-F132 HydrophobicContact CD2-CG 3.95Å; L128-F132 HydrophobicContact CG-CB 4.3Å
129P48.7Very low52.7Low18 Ų1896.9 Ų96.912%0.11749%0.494CS..  trans-49.1149.3166.713-25.3000109.7L52 F127 F131 F132L52-P129 HydrophobicContact CD1-CG 4.24Å; F127-P129 VanDerWaalsContact O-CD 3.28Å; F127-P129 WeakPolarHBondContact O-CD 3.49Å; P129-F131 PolarHBondContact O-N 3.28Å; P129-F132 HydrophobicContact CG-CD2 3.64Å; P129-F132 HydrophobicContact CG-CE2 3.78Å; P129-F132 PolarHBondContact O-N 3.4Å
130S55.1Low51Low53 Ų5397.9 Ų97.937%0.37152%0.52SS..Hα-helixtrans-51.7-23.8-176.260.90000113.2D45 F132 T133 S134D45-S130 PolarHBondContact OD1-N 3.2Å; D45-S130 PolarHBondContact OD1-OG 2.81Å; D45-S130 WeakPolarHBondContact OD2-CB 3.48Å; D45-S130 PolarHBondContact OD2-OG 2.99Å; S130-F132 VanDerWaalsContact C-N 3.33Å; S130-F132 PolarHBondContact O-N 3.33Å; S130-T133 WeakPolarHBondContact CA-OG1 3.42Å; S130-T133 PolarHBondContact O-N 3.05Å; S130-T133 PolarHBondContact O-OG1 3.49Å; S130-S134 PolarHBondContact O-N 2.78Å
131F42.4Very low49.2Very low144 Ų14493.9 Ų93.963%0.63252%0.52SS*.Hα-helixtrans-50.2-42.8168.1-168.4-104.7000114.5P129 S134 L135P129-F131 PolarHBondContact O-N 3.28Å; F131-S134 PolarHBondContact O-N 3Å; F131-L135 PolarHBondContact O-N 3.02Å
132F38.8Very low47.7Very low94 Ų94100.9 Ų100.941%0.41256%0.564SS.*Hα-helixtrans-76.3-29.9178.9-73.5-73.1000113L128 P129 S130 S134 L135 S136L128-F132 HydrophobicContact CB-CB 3.94Å; L128-F132 HydrophobicContact CB-CD2 4.43Å; L128-F132 HydrophobicContact CD1-CB 4.32Å; L128-F132 HydrophobicContact CD2-CB 4.01Å; L128-F132 HydrophobicContact CD2-CD2 3.91Å; L128-F132 HydrophobicContact CD2-CG 3.95Å; L128-F132 HydrophobicContact CG-CB 4.3Å; P129-F132 HydrophobicContact CG-CD2 3.64Å; P129-F132 HydrophobicContact CG-CE2 3.78Å; P129-F132 PolarHBondContact O-N 3.4Å; S130-F132 VanDerWaalsContact C-N 3.33Å; S130-F132 PolarHBondContact O-N 3.33Å; F132-S134 PolarHBondContact O-N 3.02Å; F132-L135 PolarHBondContact O-N 2.79Å; F132-L135 VanDerWaalsContact O-N 3.15Å; F132-S136 PolarHBondContact O-N 3.22Å; F132-S136 VanDerWaalsContact O-N 3.08Å
133T50.2Low46.6Very low41 Ų41100.8 Ų100.825%0.25257%0.569SS.*Hα-helixtrans-66.3-25172.5380000113.1Q125 S130 S136Q125-T133 HydrophobicContact CG-CG2 3.69Å; Q125-T133 VanDerWaalsContact NE2-CG2 3.32Å; S130-T133 WeakPolarHBondContact CA-OG1 3.42Å; S130-T133 PolarHBondContact O-N 3.05Å; S130-T133 PolarHBondContact O-OG1 3.49Å; T133-S136 PolarHBondContact O-OG 3.28Å
134S45.3Very low46Very low77 Ų77101.3 Ų101.354%0.53857%0.568SS.*Hα-helixtrans-72.3-40169.7163.80000111.7S130 F131 F132 K137S130-S134 PolarHBondContact O-N 2.78Å; F131-S134 PolarHBondContact O-N 3Å; F132-S134 PolarHBondContact O-N 3.02Å; S134-K137 PolarHBondContact O-N 3.13Å
135L37.1Very low45.3Very low88 Ų8898.7 Ų98.746%0.46156%0.556SS.*Hα-helixtrans-72.3-29-177.4-129.482.2000113.5F131 F132 K137 S138F131-L135 PolarHBondContact O-N 3.02Å; F132-L135 PolarHBondContact O-N 2.79Å; F132-L135 VanDerWaalsContact O-N 3.15Å; L135-K137 VanDerWaalsContact C-N 3.26Å; L135-K137 PolarHBondContact O-N 2.89Å; L135-S138 PolarHBondContact O-N 3.07Å; L135-S138 PolarHBondContact O-OG 3.47Å
136S44.4Very low44.5Very low89 Ų8999.8 Ų99.862%0.62257%0.567SS**Hα-helixtrans-70.4-24174.264.50000112.8F132 T133F132-S136 PolarHBondContact O-N 3.22Å; F132-S136 VanDerWaalsContact O-N 3.08Å; T133-S136 PolarHBondContact O-OG 3.28Å
137K45.9Very low43.8Very low184 Ų184103.6 Ų103.680%0.859%0.589SS**Hα-helixtrans-81.5-17.2175.2-75.5-170.6178-176.70114.1S134 L135S134-K137 PolarHBondContact O-N 3.13Å; L135-K137 VanDerWaalsContact C-N 3.26Å; L135-K137 PolarHBondContact O-N 2.89Å
138S42.2Very low43.1Very low79 Ų79101.2 Ų101.255%0.55259%0.588SS**G310 helixtrans-94.4-1.4-179.964.50000115.1L135 G140L135-S138 PolarHBondContact O-N 3.07Å; L135-S138 PolarHBondContact O-OG 3.47Å; S138-G140 VanDerWaalsContact C-N 3.32Å
139K37.6Very low42.8Very low196 Ų196103.1 Ų103.185%0.85260%0.602SS**G310 helixtrans-89.914.5172-75.6-162.1173.7-1720114.9
140G37.1Very low42.3Very low74 Ų74109.7 Ų109.776%0.76364%0.639SS**G310 helixtrans-108.710.6178.200000115.8S138S138-G140 VanDerWaalsContact C-N 3.32Å
141A34.7Very low41.2Very low89 Ų89114.4 Ų114.474%0.73666%0.662SS**  trans-123.976.2-179.300000111.2
142V39.3Very low41.1Very low218 Ų218111.7 Ų111.7100%1.32167%0.665SS**  trans-138.10148.2-176.80000106.9

Retrieved 142 of 142 residues in 181 ms (Link to these results)

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