A0A5K4FCI4_SCHMA Loading...

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AlphaFold DB , UniProt , Accession A0A5K4FCI4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 248 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
1M38.1Very low46.3Very low182 Ų182122.5 Ų122.590%0.89759%0.586SS**  0-56.40-159.1155159.800111.8I3 I4 L5M1-I3 VanDerWaalsContact C-N 3.31Å; M1-I3 PolarHBondContact O-N 3.06Å; M1-I4 PolarHBondContact O-N 3.26Å; M1-L5 HydrophobicContact CG-CD1 4.05Å; M1-L5 WeakPolarHBondContact O-CD1 3.48Å; M1-L5 WeakPolarHBondContact O-CG 3.46Å; M1-L5 PolarHBondContact O-N 3.38Å
2W27.7Very low47Very low215 Ų215121.8 Ų121.881%0.81459%0.588SS**THydrogen-bonded Turntrans-58.8-29.5177.4-105.572.3000116.2L5W2-L5 PolarHBondContact O-N 3.26Å
3I42.1Very low47.8Very low158 Ų158120.8 Ų120.881%0.8158%0.579SS**THydrogen-bonded Turntrans-72.7-32.8180-64.4171.8000112.2M1 L5M1-I3 VanDerWaalsContact C-N 3.31Å; M1-I3 PolarHBondContact O-N 3.06Å; I3-L5 VanDerWaalsContact C-N 3.34Å
4I44.6Very low48.3Very low107 Ų107113.5 Ų113.555%0.54955%0.545SS..G310 helixtrans-75.9-30.1178.5-60.4171.8000110.3M1 R6 F10M1-I4 PolarHBondContact O-N 3.26Å; I4-R6 VanDerWaalsContact C-N 3.29Å; I4-R6 PolarHBondContact O-N 3.23Å; I4-F10 HydrophobicContact CG2-CD2 4.43Å
5L40Very low48.8Very low45 Ų45108.9 Ų108.924%0.23653%0.529CS..G310 helixtrans-82.912.2-176.1-66.1167.2000114.2M1 W2 I3 F10 H143M1-L5 HydrophobicContact CG-CD1 4.05Å; M1-L5 WeakPolarHBondContact O-CD1 3.48Å; M1-L5 WeakPolarHBondContact O-CG 3.46Å; M1-L5 PolarHBondContact O-N 3.38Å; W2-L5 PolarHBondContact O-N 3.26Å; I3-L5 VanDerWaalsContact C-N 3.34Å; L5-F10 HydrophobicContact CD2-CE2 3.84Å; L5-F10 HydrophobicContact CD2-CZ 4.01Å; L5-H143 PolarHBondContact O-CE1 2.78Å; L5-H143 PolarHBondContact O-ND1 2.91Å; L5-H143 PolarHBondContact O-NE2 3.49Å
6R40.8Very low49.5Very low210 Ų210109.6 Ų109.679%0.79252%0.524SS*.G310 helixtrans-126.21176.1-141-171.9-160.6-161.15.7113I4I4-R6 VanDerWaalsContact C-N 3.29Å; I4-R6 PolarHBondContact O-N 3.23Å
7D52.8Low49.9Very low75 Ų75105.2 Ų105.240%0.40151%0.508SS..  trans-75.1126.5-179.6-165.2-29.9000109.1K9 F10D7-K9 PolarHBondContact O-N 3.13Å; D7-K9 WeakPolarHBondContact OD1-CB 3.47Å; D7-K9 WeakPolarHBondContact OD1-CG 3.35Å; D7-K9 PolarHBondContact OD1-N 3.34Å; D7-F10 WeakPolarHBondContact O-CB 3.31Å; D7-F10 PolarHBondContact O-N 3.33Å
8P55.2Low50.4Low118 Ų11899.7 Ų99.777%0.76648%0.481SS*.THydrogen-bonded Turntrans-56.9-16.8172.323.8-34.9000113.4F10 P11P8-F10 VanDerWaalsContact C-N 3.33Å; P8-P11 VanDerWaalsContact O-CD 3.29Å; P8-P11 WeakPolarHBondContact O-CD 3.46Å
9K60.5Low51.3Low142 Ų14295.4 Ų95.462%0.61746%0.461SS*.THydrogen-bonded Turntrans-83.6-3.2173.8-60.3179.5179-1790114.2D7 P11 D12 F13D7-K9 PolarHBondContact O-N 3.13Å; D7-K9 WeakPolarHBondContact OD1-CB 3.47Å; D7-K9 WeakPolarHBondContact OD1-CG 3.35Å; D7-K9 PolarHBondContact OD1-N 3.34Å; K9-P11 VanDerWaalsContact C-N 3.34Å; K9-D12 PolarHBondContact O-N 3.05Å; K9-D12 VanDerWaalsContact O-N 3.12Å; K9-F13 PolarHBondContact O-N 3.16Å
10F55.9Low52.1Low28 Ų2890.9 Ų90.912%0.12344%0.44CS..Hα-helixtrans-54.8-40.9179.2-176.8-92.8000113.6I4 L5 D7 P8 D12 F13 L14 H143I4-F10 HydrophobicContact CG2-CD2 4.43Å; L5-F10 HydrophobicContact CD2-CE2 3.84Å; L5-F10 HydrophobicContact CD2-CZ 4.01Å; D7-F10 WeakPolarHBondContact O-CB 3.31Å; D7-F10 PolarHBondContact O-N 3.33Å; P8-F10 VanDerWaalsContact C-N 3.33Å; F10-D12 VanDerWaalsContact C-N 3.33Å; F10-D12 PolarHBondContact O-N 2.97Å; F10-F13 PolarHBondContact O-N 3.31Å; F10-L14 HydrophobicContact CE1-CB 4.29Å; F10-L14 HydrophobicContact CE1-CD2 3.79Å; F10-L14 HydrophobicContact CZ-CD2 4.32Å; F10-L14 VanDerWaalsContact O-CB 3.25Å; F10-L14 WeakPolarHBondContact O-CB 3.36Å; F10-L14 PolarHBondContact O-N 3.04Å; F10-H143 AromaticContact CD1-CD2 3.29Å; F10-H143 WeakPolarHBondContact CD1-CD2 3.29Å; F10-H143 AromaticContact CD1-NE2 3.48Å; F10-H143 WeakPolarHBondContact CD1-NE2 3.49Å; F10-H143 AromaticContact CE1-CD2 3.47Å; F10-H143 VanDerWaalsContact CE1-CD2 3.47Å; F10-H143 WeakPolarHBondContact CE1-CD2 3.26Å; F10-H143 AromaticContact CG-CD2 3.92Å; F10-H143 AromaticContact CG-NE2 3.66Å
11P51.7Low52.9Low67 Ų6787 Ų8744%0.43542%0.422SS..Hα-helixtrans-62.2-39.3175.9-20.733.2000112.6P8 K9 L14 S15P8-P11 VanDerWaalsContact O-CD 3.29Å; P8-P11 WeakPolarHBondContact O-CD 3.46Å; K9-P11 VanDerWaalsContact C-N 3.34Å; P11-L14 PolarHBondContact O-N 3.44Å; P11-S15 WeakPolarHBondContact O-CB 3.41Å; P11-S15 PolarHBondContact O-N 2.9Å
12D54.8Low54.5Low114 Ų11481.9 Ų81.961%0.6140%0.396SS*.Hα-helixtrans-68.4-41.9177.4-62.8-25.2000111.1K9 F10 S15 W16K9-D12 PolarHBondContact O-N 3.05Å; K9-D12 VanDerWaalsContact O-N 3.12Å; F10-D12 VanDerWaalsContact C-N 3.33Å; F10-D12 PolarHBondContact O-N 2.97Å; D12-S15 WeakPolarHBondContact O-CB 3.3Å; D12-S15 PolarHBondContact O-N 3.07Å; D12-W16 WeakPolarHBondContact O-CB 3.41Å; D12-W16 PolarHBondContact O-N 3.42Å
13F57.3Low56.7Low109 Ų10977.2 Ų77.248%0.47838%0.379SS..Hα-helixtrans-65.4-40.8175.5179.2-103.2000111.9K9 F10 W16 C17K9-F13 PolarHBondContact O-N 3.16Å; F10-F13 PolarHBondContact O-N 3.31Å; F13-W16 HydrophobicContact CE2-CE3 4.38Å; F13-W16 PolarHBondContact O-N 3.36Å; F13-C17 VanDerWaalsContact CZ-SG 3.58Å; F13-C17 WeakPolarHBondContact O-CB 3.45Å; F13-C17 PolarHBondContact O-N 3.41Å; F13-C17 PolarHBondContact O-SG 2.91Å
14L55.2Low58.3Low19 Ų1970 Ų7010%0.09934%0.342CS..Hα-helixtrans-68.2-43.6176.2-175.459000110.5F10 P11 W16 C17 L18 P154F10-L14 HydrophobicContact CE1-CB 4.29Å; F10-L14 HydrophobicContact CE1-CD2 3.79Å; F10-L14 HydrophobicContact CZ-CD2 4.32Å; F10-L14 VanDerWaalsContact O-CB 3.25Å; F10-L14 WeakPolarHBondContact O-CB 3.36Å; F10-L14 PolarHBondContact O-N 3.04Å; P11-L14 PolarHBondContact O-N 3.44Å; L14-W16 VanDerWaalsContact C-N 3.3Å; L14-W16 PolarHBondContact O-N 3.44Å; L14-C17 CarbonylContact O-C 3.55Å; L14-C17 PolarHBondContact O-N 2.89Å; L14-L18 HydrophobicContact CD1-CD1 4.05Å; L14-L18 HydrophobicContact CD1-CG 4.15Å; L14-L18 HydrophobicContact CG-CD1 3.9Å; L14-L18 HydrophobicContact CG-CG 4.36Å; L14-L18 VanDerWaalsContact O-CB 3.26Å; L14-L18 WeakPolarHBondContact O-CB 3.28Å; L14-L18 WeakPolarHBondContact O-CG 3.47Å; L14-L18 PolarHBondContact O-N 3.21Å; L14-P154 HydrophobicContact CD2-CB 3.38Å; L14-P154 HydrophobicContact CD2-CG 3.71Å; L14-P154 HydrophobicContact CG-CB 3.96Å
15S55Low59.8Low44 Ų4467.7 Ų67.731%0.30833%0.331SS..Hα-helixtrans-55-45.9172171.80000111.4P11 D12 L18 D19 L157P11-S15 WeakPolarHBondContact O-CB 3.41Å; P11-S15 PolarHBondContact O-N 2.9Å; D12-S15 WeakPolarHBondContact O-CB 3.3Å; D12-S15 PolarHBondContact O-N 3.07Å; S15-L18 CarbonylContact O-C 3.38Å; S15-L18 PolarHBondContact O-N 2.9Å; S15-L18 VanDerWaalsContact O-N 3.16Å; S15-D19 PolarHBondContact O-N 2.83Å; S15-L157 WeakPolarHBondContact OG-CD1 3.41Å
16W59.5Low61.8Low120 Ų12069.7 Ų69.746%0.45534%0.341SS..Hα-helixtrans-62.2-47.3175-17680.3000112.3D12 F13 L14 L18 D19D12-W16 WeakPolarHBondContact O-CB 3.41Å; D12-W16 PolarHBondContact O-N 3.42Å; F13-W16 HydrophobicContact CE2-CE3 4.38Å; F13-W16 PolarHBondContact O-N 3.36Å; L14-W16 VanDerWaalsContact C-N 3.3Å; L14-W16 PolarHBondContact O-N 3.44Å; W16-L18 PolarHBondContact O-N 2.66Å; W16-D19 PolarHBondContact O-N 3.43Å; W16-D19 VanDerWaalsContact O-N 3.13Å
17C57.2Low63.7Low36 Ų3661.6 Ų61.624%0.24332%0.316CS..Hα-helixtrans-62.4-23.5174.6-68.60000112.9F13 L14 W23F13-C17 VanDerWaalsContact CZ-SG 3.58Å; F13-C17 WeakPolarHBondContact O-CB 3.45Å; F13-C17 PolarHBondContact O-N 3.41Å; F13-C17 PolarHBondContact O-SG 2.91Å; L14-C17 CarbonylContact O-C 3.55Å; L14-C17 PolarHBondContact O-N 2.89Å; C17-W23 PolarHBondContact O-NE1 3.47Å
18L58.7Low65Low5 Ų558.2 Ų58.23%0.02630%0.299CS..THydrogen-bonded Turntrans-99.21.7179.3-66.2-179.8000112.9L14 S15 W16 A20 Y127 V131 L135 P154L14-L18 HydrophobicContact CD1-CD1 4.05Å; L14-L18 HydrophobicContact CD1-CG 4.15Å; L14-L18 HydrophobicContact CG-CD1 3.9Å; L14-L18 HydrophobicContact CG-CG 4.36Å; L14-L18 VanDerWaalsContact O-CB 3.26Å; L14-L18 WeakPolarHBondContact O-CB 3.28Å; L14-L18 WeakPolarHBondContact O-CG 3.47Å; L14-L18 PolarHBondContact O-N 3.21Å; S15-L18 CarbonylContact O-C 3.38Å; S15-L18 PolarHBondContact O-N 2.9Å; S15-L18 VanDerWaalsContact O-N 3.16Å; W16-L18 PolarHBondContact O-N 2.66Å; L18-A20 PolarHBondContact O-N 2.69Å; L18-Y127 PolarHBondContact O-OH 3.4Å; L18-V131 HydrophobicContact CD2-CB 3.98Å; L18-V131 HydrophobicContact CD2-CG1 3.59Å; L18-V131 HydrophobicContact CD2-CG2 3.56Å; L18-L135 HydrophobicContact CD1-CD2 3.69Å; L18-P154 HydrophobicContact CD1-CB 4.17Å
19D68.1Low66.3Low19 Ų1956.1 Ų56.110%0.10228%0.284CS..BIsolated β-bridgetrans-84.298.4178.5-171.5-11.6000110.2S15 W16 S21 Q22 W23S15-D19 PolarHBondContact O-N 2.83Å; W16-D19 PolarHBondContact O-N 3.43Å; W16-D19 VanDerWaalsContact O-N 3.13Å; D19-S21 PolarHBondContact O-N 2.85Å; D19-S21 VanDerWaalsContact O-N 3.12Å; D19-S21 WeakPolarHBondContact OD1-CB 3.26Å; D19-S21 PolarHBondContact OD1-N 3.41Å; D19-S21 VanDerWaalsContact OD1-N 3.11Å; D19-S21 PolarHBondContact OD1-OG 3.33Å; D19-S21 PolarHBondContact OD2-OG 2.94Å; D19-Q22 HydrophobicContact CB-CB 4.47Å; D19-Q22 HydrophobicContact CB-CG 4.21Å; D19-Q22 PolarHBondContact O-N 3.26Å; D19-Q22 WeakPolarHBondContact OD2-CG 2.82Å; D19-Q22 PolarHBondContact OD2-NE2 3.14Å; D19-W23 PolarHBondContact O-N 3.32Å
20A66.7Low67.5Low5 Ų552.5 Ų52.54%0.04127%0.274CS..Hα-helixtrans-53.5-33.4-179.200000112.9L18 Q22 A24 T74 Y127L18-A20 PolarHBondContact O-N 2.69Å; A20-Q22 PolarHBondContact O-N 2.86Å; A20-A24 VanDerWaalsContact O-CB 3.29Å; A20-A24 WeakPolarHBondContact O-CB 3.45Å; A20-A24 PolarHBondContact O-N 3.33Å; A20-T74 HydrophobicContact CB-CG2 3.84Å; A20-Y127 HydrophobicContact CB-CE1 3.91Å; A20-Y127 HydrophobicContact CB-CE2 4.46Å; A20-Y127 WeakPolarHBondContact CB-OH 3.34Å; A20-Y127 PolarHBondContact N-OH 2.88Å
21S69.1Low68.8Low10 Ų1051.2 Ų51.27%0.0727%0.268CS..Hα-helixtrans-68.4-36.6-175.769.80000112.1D19 L25 H94D19-S21 PolarHBondContact O-N 2.85Å; D19-S21 VanDerWaalsContact O-N 3.12Å; D19-S21 WeakPolarHBondContact OD1-CB 3.26Å; D19-S21 PolarHBondContact OD1-N 3.41Å; D19-S21 VanDerWaalsContact OD1-N 3.11Å; D19-S21 PolarHBondContact OD1-OG 3.33Å; D19-S21 PolarHBondContact OD2-OG 2.94Å; S21-L25 WeakPolarHBondContact O-CB 3.44Å; S21-L25 WeakPolarHBondContact O-CG 3.29Å; S21-L25 PolarHBondContact O-N 2.85Å; S21-H94 PolarHBondContact OG-CE1 3.48Å
22Q71.7Confident70.1Confident73 Ų7351 Ų5134%0.34126%0.259SS..Hα-helixtrans-75.4-39.1179.9-61.7-172.338.900111.5D19 A20 A24 L25 L26D19-Q22 HydrophobicContact CB-CB 4.47Å; D19-Q22 HydrophobicContact CB-CG 4.21Å; D19-Q22 PolarHBondContact O-N 3.26Å; D19-Q22 WeakPolarHBondContact OD2-CG 2.82Å; D19-Q22 PolarHBondContact OD2-NE2 3.14Å; A20-Q22 PolarHBondContact O-N 2.86Å; Q22-A24 VanDerWaalsContact C-N 3.34Å; Q22-L25 PolarHBondContact O-N 3.06Å; Q22-L26 VanDerWaalsContact O-CB 3.32Å; Q22-L26 WeakPolarHBondContact O-CB 3.29Å; Q22-L26 PolarHBondContact O-N 2.91Å
23W73.3Confident71.4Confident118 Ų11850.2 Ų50.245%0.44725%0.254SS..Hα-helixtrans-63.7-40.5172.3-76.7104.1000112.4C17 D19 L26 S27C17-W23 PolarHBondContact O-NE1 3.47Å; D19-W23 PolarHBondContact O-N 3.32Å; W23-L26 HydrophobicContact CE3-CD2 4.39Å; W23-L26 HydrophobicContact CZ3-CD2 4.37Å; W23-L26 PolarHBondContact O-N 2.89Å; W23-S27 WeakPolarHBondContact O-CB 3.39Å; W23-S27 PolarHBondContact O-N 2.72Å
24A76.3Confident72.6Confident5 Ų547.8 Ų47.84%0.04125%0.245CC..Hα-helixtrans-62.1-44.4176.400000111.4A20 Q22 S27 A28 S67 C70 V71A20-A24 VanDerWaalsContact O-CB 3.29Å; A20-A24 WeakPolarHBondContact O-CB 3.45Å; A20-A24 PolarHBondContact O-N 3.33Å; Q22-A24 VanDerWaalsContact C-N 3.34Å; A24-S27 PolarHBondContact O-N 2.93Å; A24-A28 WeakPolarHBondContact O-CB 3.49Å; A24-A28 PolarHBondContact O-N 3.11Å; A24-S67 WeakPolarHBondContact O-CB 3.2Å; A24-C70 HydrophobicContact CB-CB 3.63Å; A24-V71 HydrophobicContact CB-CG2 3.62Å
25L76Confident73.5Confident59 Ų5948.1 Ų48.131%0.30925%0.247SC..Hα-helixtrans-63.5-47.4175.6-86.6172.9000113.3S21 Q22 S27 A28 T29 V71 P97S21-L25 WeakPolarHBondContact O-CB 3.44Å; S21-L25 WeakPolarHBondContact O-CG 3.29Å; S21-L25 PolarHBondContact O-N 2.85Å; Q22-L25 PolarHBondContact O-N 3.06Å; L25-S27 VanDerWaalsContact C-N 3.32Å; L25-S27 PolarHBondContact O-N 2.75Å; L25-A28 PolarHBondContact O-N 2.85Å; L25-T29 WeakPolarHBondContact O-CB 3.26Å; L25-T29 PolarHBondContact O-N 3.19Å; L25-T29 PolarHBondContact O-OG1 3.28Å; L25-V71 HydrophobicContact CD2-CG2 4.46Å; L25-V71 HydrophobicContact CG-CG2 4.4Å; L25-P97 HydrophobicContact CD1-CB 4.24Å; L25-P97 HydrophobicContact CD1-CG 3.61Å; L25-P97 HydrophobicContact CD2-CB 3.49Å; L25-P97 VanDerWaalsContact CD2-CB 3.49Å; L25-P97 HydrophobicContact CD2-CG 3.7Å; L25-P97 HydrophobicContact CG-CB 4.09Å; L25-P97 HydrophobicContact CG-CG 4.03Å
26L81Confident74.4Confident88 Ų8849 Ų4946%0.46126%0.257SS..Hα-helixtrans-61.8-45.1178.3-176.968.1000110.2Q22 W23 T29 V30Q22-L26 VanDerWaalsContact O-CB 3.32Å; Q22-L26 WeakPolarHBondContact O-CB 3.29Å; Q22-L26 PolarHBondContact O-N 2.91Å; W23-L26 HydrophobicContact CE3-CD2 4.39Å; W23-L26 HydrophobicContact CZ3-CD2 4.37Å; W23-L26 PolarHBondContact O-N 2.89Å; L26-T29 PolarHBondContact O-N 2.92Å; L26-V30 VanDerWaalsContact O-CG2 3.3Å; L26-V30 WeakPolarHBondContact O-CG2 3.46Å; L26-V30 PolarHBondContact O-N 2.97Å
27S81.9Confident75.2Confident39 Ų3946.6 Ų46.627%0.27326%0.258SS..Hα-helixtrans-64.4-42.7178.2-171.30000111.7W23 A24 L25 T29 V30 C31 S67W23-S27 WeakPolarHBondContact O-CB 3.39Å; W23-S27 PolarHBondContact O-N 2.72Å; A24-S27 PolarHBondContact O-N 2.93Å; L25-S27 VanDerWaalsContact C-N 3.32Å; L25-S27 PolarHBondContact O-N 2.75Å; S27-T29 VanDerWaalsContact C-N 3.35Å; S27-T29 PolarHBondContact O-N 2.91Å; S27-V30 PolarHBondContact O-N 3.44Å; S27-C31 PolarHBondContact O-N 3.37Å; S27-C31 PolarHBondContact O-SG 2.91Å; S27-S67 WeakPolarHBondContact CB-OG 3.16Å; S27-S67 PolarHBondContact OG-OG 2.87Å
28A80.7Confident75.9Confident4 Ų446.7 Ų46.73%0.03326%0.256CS..Hα-helixtrans-58.4-47173.100000111.3A24 L25 V30 C31 Y32 S67A24-A28 WeakPolarHBondContact O-CB 3.49Å; A24-A28 PolarHBondContact O-N 3.11Å; L25-A28 PolarHBondContact O-N 2.85Å; A28-V30 PolarHBondContact O-N 3.16Å; A28-C31 WeakPolarHBondContact O-CB 3.25Å; A28-C31 PolarHBondContact O-N 3.45Å; A28-C31 VanDerWaalsContact O-N 3.16Å; A28-Y32 WeakPolarHBondContact O-CD2 3.14Å; A28-Y32 PolarHBondContact O-N 3.47Å; A28-S67 PolarHBondContact N-OG 3.45Å
29T82.1Confident76.3Confident74 Ų7449.7 Ų49.745%0.45427%0.274SS..Hα-helixtrans-61.4-45.6179.7-54.60000111.6L25 L26 S27 C31 Y32 I33L25-T29 WeakPolarHBondContact O-CB 3.26Å; L25-T29 PolarHBondContact O-N 3.19Å; L25-T29 PolarHBondContact O-OG1 3.28Å; L26-T29 PolarHBondContact O-N 2.92Å; S27-T29 VanDerWaalsContact C-N 3.35Å; S27-T29 PolarHBondContact O-N 2.91Å; T29-C31 VanDerWaalsContact C-N 3.3Å; T29-C31 PolarHBondContact O-N 3.5Å; T29-Y32 PolarHBondContact O-N 3.27Å; T29-I33 HydrophobicContact CG2-CD1 4.16Å; T29-I33 WeakPolarHBondContact O-CG1 3.13Å; T29-I33 PolarHBondContact O-N 3.28Å
30V84.6Confident76.5Confident66 Ų6651.6 Ų51.640%0.429%0.292SS..Hα-helixtrans-61.5-40.7175.9170.30000110.7L26 S27 A28 I33 I34L26-V30 VanDerWaalsContact O-CG2 3.3Å; L26-V30 WeakPolarHBondContact O-CG2 3.46Å; L26-V30 PolarHBondContact O-N 2.97Å; S27-V30 PolarHBondContact O-N 3.44Å; A28-V30 PolarHBondContact O-N 3.16Å; V30-I33 PolarHBondContact O-N 3.36Å; V30-I34 HydrophobicContact CG1-CD1 3.67Å; V30-I34 HydrophobicContact CG1-CG1 4.35Å; V30-I34 VanDerWaalsContact O-CG1 3.25Å; V30-I34 WeakPolarHBondContact O-CG1 3.09Å; V30-I34 PolarHBondContact O-N 3.24Å
31C83.7Confident76.6Confident1 Ų155.2 Ų55.21%0.00732%0.316CS..Hα-helixtrans-61.9-43.9175.4-65.60000111.8S27 A28 T29 I33 I34 L35 V60 L63 Y64S27-C31 PolarHBondContact O-N 3.37Å; S27-C31 PolarHBondContact O-SG 2.91Å; A28-C31 WeakPolarHBondContact O-CB 3.25Å; A28-C31 PolarHBondContact O-N 3.45Å; A28-C31 VanDerWaalsContact O-N 3.16Å; T29-C31 VanDerWaalsContact C-N 3.3Å; T29-C31 PolarHBondContact O-N 3.5Å; C31-I33 PolarHBondContact O-N 3.3Å; C31-I34 PolarHBondContact O-N 3.48Å; C31-L35 WeakPolarHBondContact O-CB 3.25Å; C31-L35 VanDerWaalsContact O-CG 3.26Å; C31-L35 WeakPolarHBondContact O-CG 3.05Å; C31-L35 PolarHBondContact O-N 2.85Å; C31-V60 HydrophobicContact CB-CG1 4.09Å; C31-L63 WeakPolarHBondContact SG-CB 3.25Å; C31-Y64 HydrophobicContact CB-CD2 4.42Å; C31-Y64 PolarHBondContact SG-N 3.25Å; C31-Y64 VanDerWaalsContact SG-N 3.43Å
32Y78.5Confident76.3Confident64 Ų6457.5 Ų57.525%0.25133%0.327SS..Hα-helixtrans-61.1-43.2175-79.7-67.6000112.6A28 T29 I34 L35 A36 Y64 D104A28-Y32 WeakPolarHBondContact O-CD2 3.14Å; A28-Y32 PolarHBondContact O-N 3.47Å; T29-Y32 PolarHBondContact O-N 3.27Å; Y32-I34 VanDerWaalsContact C-N 3.34Å; Y32-I34 PolarHBondContact O-N 3.31Å; Y32-L35 PolarHBondContact O-N 2.94Å; Y32-A36 VanDerWaalsContact O-CB 3.24Å; Y32-A36 WeakPolarHBondContact O-CB 3.04Å; Y32-A36 PolarHBondContact O-N 3.27Å; Y32-Y64 HydrophobicContact CE1-CE2 4.13Å; Y32-Y64 AromaticContact CE2-CE2 3.91Å; Y32-Y64 HydrophobicContact CE2-CE2 3.91Å; Y32-Y64 AromaticContact CZ-CE2 3.56Å; Y32-Y64 WeakPolarHBondContact OH-CE2 3.11Å; Y32-Y64 PolarHBondContact OH-OH 2.97Å; Y32-D104 WeakPolarHBondContact CE1-OD2 3.4Å; Y32-D104 WeakPolarHBondContact OH-CB 3.41Å; Y32-D104 PolarHBondContact OH-OD1 2.77Å; Y32-D104 PolarHBondContact OH-OD2 3.31Å
33I82.5Confident76Confident96 Ų9658.5 Ų58.549%0.49234%0.343SS..Hα-helixtrans-61.1-46.5177.1-67.4166000109.9T29 V30 C31 A36 C37T29-I33 HydrophobicContact CG2-CD1 4.16Å; T29-I33 WeakPolarHBondContact O-CG1 3.13Å; T29-I33 PolarHBondContact O-N 3.28Å; V30-I33 PolarHBondContact O-N 3.36Å; C31-I33 PolarHBondContact O-N 3.3Å; I33-A36 PolarHBondContact O-N 2.96Å; I33-C37 WeakPolarHBondContact O-CB 3.48Å; I33-C37 PolarHBondContact O-N 3.36Å; I33-C37 PolarHBondContact O-SG 3.13Å
34I81.9Confident75.5Confident58 Ų5863.6 Ų63.630%0.29736%0.362SS..Hα-helixtrans-66-41.9179.7-63.3165.1000110.8V30 C31 Y32 C37 N38 V60V30-I34 HydrophobicContact CG1-CD1 3.67Å; V30-I34 HydrophobicContact CG1-CG1 4.35Å; V30-I34 VanDerWaalsContact O-CG1 3.25Å; V30-I34 WeakPolarHBondContact O-CG1 3.09Å; V30-I34 PolarHBondContact O-N 3.24Å; C31-I34 PolarHBondContact O-N 3.48Å; Y32-I34 VanDerWaalsContact C-N 3.34Å; Y32-I34 PolarHBondContact O-N 3.31Å; I34-C37 PolarHBondContact O-N 3.49Å; I34-N38 VanDerWaalsContact CG2-ND2 3.28Å; I34-N38 WeakPolarHBondContact CG2-ND2 3.42Å; I34-N38 WeakPolarHBondContact O-CB 2.75Å; I34-N38 PolarHBondContact O-N 2.91Å; I34-N38 PolarHBondContact O-ND2 3.28Å; I34-V60 HydrophobicContact CB-CG1 4.14Å; I34-V60 HydrophobicContact CB-CG2 4.12Å; I34-V60 HydrophobicContact CD1-CG2 4.25Å; I34-V60 HydrophobicContact CG2-CB 4.35Å; I34-V60 HydrophobicContact CG2-CG1 4.11Å; I34-V60 HydrophobicContact CG2-CG2 3.39Å
35L75Confident74.9Confident26 Ų2672.5 Ų72.514%0.13639%0.394CS..Hα-helixtrans-61.1-48175.2-74.8165.9000110.9C31 Y32 C37 N38 V39 Y57 V60C31-L35 WeakPolarHBondContact O-CB 3.25Å; C31-L35 VanDerWaalsContact O-CG 3.26Å; C31-L35 WeakPolarHBondContact O-CG 3.05Å; C31-L35 PolarHBondContact O-N 2.85Å; Y32-L35 PolarHBondContact O-N 2.94Å; L35-C37 VanDerWaalsContact C-N 3.35Å; L35-C37 PolarHBondContact O-N 3.23Å; L35-N38 PolarHBondContact O-N 3.03Å; L35-N38 VanDerWaalsContact O-N 3.14Å; L35-V39 WeakPolarHBondContact O-CG2 3.29Å; L35-V39 PolarHBondContact O-N 3.42Å; L35-Y57 HydrophobicContact CD2-CD2 4.1Å; L35-Y57 HydrophobicContact CD2-CE2 3.83Å; L35-V60 HydrophobicContact CD1-CG1 4.33Å; L35-V60 HydrophobicContact CD2-CG1 4.07Å; L35-V60 HydrophobicContact CG-CG1 3.72Å
36A73.5Confident73.6Confident62 Ų6277.3 Ų77.351%0.51242%0.42SS..Hα-helixtrans-60.6-42.1176.800000112.1Y32 I33 V39 A40Y32-A36 VanDerWaalsContact O-CB 3.24Å; Y32-A36 WeakPolarHBondContact O-CB 3.04Å; Y32-A36 PolarHBondContact O-N 3.27Å; I33-A36 PolarHBondContact O-N 2.96Å; A36-V39 PolarHBondContact O-N 3.17Å; A36-A40 WeakPolarHBondContact O-CB 3.32Å; A36-A40 PolarHBondContact O-N 2.83Å
37C77.3Confident72.2Confident71 Ų7180.7 Ų80.748%0.4843%0.434SS..Hα-helixtrans-62.6-43.4173.4-72.10000111.8I33 I34 L35 A40 C41I33-C37 WeakPolarHBondContact O-CB 3.48Å; I33-C37 PolarHBondContact O-N 3.36Å; I33-C37 PolarHBondContact O-SG 3.13Å; I34-C37 PolarHBondContact O-N 3.49Å; L35-C37 VanDerWaalsContact C-N 3.35Å; L35-C37 PolarHBondContact O-N 3.23Å; C37-A40 PolarHBondContact O-N 2.74Å; C37-C41 WeakPolarHBondContact O-CB 3.2Å; C37-C41 PolarHBondContact O-N 2.93Å; C37-C41 PolarHBondContact O-SG 3.35Å
38N71.5Confident70.7Confident38 Ų3888.5 Ų88.520%0.20347%0.466CS..Hα-helixtrans-62.2-44.6176.4-81-67.8000111.2I34 L35 A40 C41 I42I34-N38 VanDerWaalsContact CG2-ND2 3.28Å; I34-N38 WeakPolarHBondContact CG2-ND2 3.42Å; I34-N38 WeakPolarHBondContact O-CB 2.75Å; I34-N38 PolarHBondContact O-N 2.91Å; I34-N38 PolarHBondContact O-ND2 3.28Å; L35-N38 PolarHBondContact O-N 3.03Å; L35-N38 VanDerWaalsContact O-N 3.14Å; N38-A40 PolarHBondContact O-N 3.38Å; N38-C41 PolarHBondContact O-N 2.97Å; N38-I42 WeakPolarHBondContact O-CB 3.36Å; N38-I42 WeakPolarHBondContact O-CD1 3.18Å; N38-I42 WeakPolarHBondContact O-CG1 3.16Å; N38-I42 PolarHBondContact O-N 3.16Å
39V67.6Low69.4Low68 Ų6891.1 Ų91.141%0.41248%0.484SS..Hα-helixtrans-61.5-43.8176.3174.40000111.3L35 A36 C41 I42 S43 W216L35-V39 WeakPolarHBondContact O-CG2 3.29Å; L35-V39 PolarHBondContact O-N 3.42Å; A36-V39 PolarHBondContact O-N 3.17Å; V39-C41 VanDerWaalsContact C-N 3.35Å; V39-C41 PolarHBondContact O-N 3.14Å; V39-I42 PolarHBondContact O-N 3.22Å; V39-S43 VanDerWaalsContact O-CB 3.3Å; V39-S43 WeakPolarHBondContact O-CB 3.26Å; V39-S43 PolarHBondContact O-N 3.37Å; V39-W216 HydrophobicContact CG2-CH2 3.8Å
40A70.8Confident68Low58 Ų5893.9 Ų93.948%0.47950%0.496SS..Hα-helixtrans-65.2-36.8176.500000112.7A36 C37 N38 R44A36-A40 WeakPolarHBondContact O-CB 3.32Å; A36-A40 PolarHBondContact O-N 2.83Å; C37-A40 PolarHBondContact O-N 2.74Å; N38-A40 PolarHBondContact O-N 3.38Å; A40-R44 WeakPolarHBondContact O-CG 3.39Å; A40-R44 PolarHBondContact O-N 2.85Å
41C69.2Low66.4Low81 Ų8193.8 Ų93.855%0.54749%0.493SS..Hα-helixtrans-69.3-41.3175-75.30000112.1C37 N38 V39 R44 R45C37-C41 WeakPolarHBondContact O-CB 3.2Å; C37-C41 PolarHBondContact O-N 2.93Å; C37-C41 PolarHBondContact O-SG 3.35Å; N38-C41 PolarHBondContact O-N 2.97Å; V39-C41 VanDerWaalsContact C-N 3.35Å; V39-C41 PolarHBondContact O-N 3.14Å; C41-R44 PolarHBondContact O-N 3.32Å; C41-R45 PolarHBondContact O-N 3.38Å
42I63.7Low64.8Low58 Ų5897.8 Ų97.830%0.29751%0.512SS..Hα-helixtrans-65.9-47.2176.6-70.1164.1000109.9N38 V39 R44 R45 N51N38-I42 WeakPolarHBondContact O-CB 3.36Å; N38-I42 WeakPolarHBondContact O-CD1 3.18Å; N38-I42 WeakPolarHBondContact O-CG1 3.16Å; N38-I42 PolarHBondContact O-N 3.16Å; V39-I42 PolarHBondContact O-N 3.22Å; I42-R44 PolarHBondContact O-N 2.88Å; I42-R45 CarbonylContact O-C 3.56Å; I42-R45 PolarHBondContact O-N 2.94Å; I42-N51 HydrophobicContact CD1-CB 4.1Å; I42-N51 VanDerWaalsContact CG2-ND2 3.31Å; I42-N51 WeakPolarHBondContact CG2-ND2 3.49Å
43S64Low63.5Low95 Ų9599.8 Ų99.866%0.66453%0.531SS*.Hα-helixtrans-59.7-20.6177.3-179.90000113.4V39V39-S43 VanDerWaalsContact O-CB 3.3Å; V39-S43 WeakPolarHBondContact O-CB 3.26Å; V39-S43 PolarHBondContact O-N 3.37Å
44R63.4Low62.2Low224 Ų22497.6 Ų97.685%0.84552%0.522SS*.Hα-helixtrans-88-22.8173.5-80.9-179.9149.7-168.9-5.5113.8A40 C41 I42 N46A40-R44 WeakPolarHBondContact O-CG 3.39Å; A40-R44 PolarHBondContact O-N 2.85Å; C41-R44 PolarHBondContact O-N 3.32Å; I42-R44 PolarHBondContact O-N 2.88Å; R44-N46 PolarHBondContact O-N 3.43Å
45R63.2Low61.1Low192 Ų192101.6 Ų101.673%0.72554%0.543SS*.  trans-90.794.2174.3-81.7-175.1169.8-168-3.2108.1C41 I42 E47C41-R45 PolarHBondContact O-N 3.38Å; I42-R45 CarbonylContact O-C 3.56Å; I42-R45 PolarHBondContact O-N 2.94Å; R45-E47 PolarHBondContact O-N 3.33Å
46N49.9Very low60.7Low160 Ų160103.5 Ų103.586%0.85656%0.557SS**  trans-68.918-175.4-124.315.9000115.2R44R44-N46 PolarHBondContact O-N 3.43Å
47E51.5Low60.4Low159 Ų159103.4 Ų103.474%0.74354%0.543SS*.SBendtrans-146.3115.7-165.5-70.7177.117000112.2R45 S49R45-E47 PolarHBondContact O-N 3.33Å; E47-S49 PolarHBondContact O-N 2.95Å
48E51.1Low60.1Low203 Ų203106.7 Ų106.795%0.94955%0.549SS*.  trans28.357.5137-64.4-179.3153.400118.7
49S51.8Low60.4Low59 Ų59110.5 Ų110.541%0.41356%0.564SS.*  trans-128.4127.816265.70000110.2E47 N51E47-S49 PolarHBondContact O-N 2.95Å; S49-N51 VanDerWaalsContact C-N 3.27Å; S49-N51 PolarHBondContact O-N 2.94Å; S49-N51 PolarHBondContact O-ND2 3.35Å; S49-N51 PolarHBondContact O-OD1 3.14Å; S49-N51 VanDerWaalsContact O-OD1 3.11Å
50N53Low60.9Low132 Ų132107.5 Ų107.571%0.70655%0.546SS*.  trans-50.387.6175-76.6-24000110.4E52 T53N50-E52 PolarHBondContact O-N 2.78Å; N50-E52 VanDerWaalsContact O-N 3.11Å; N50-T53 HydrophobicContact CB-CG2 3.99Å; N50-T53 WeakPolarHBondContact O-CB 3.46Å; N50-T53 PolarHBondContact O-N 3.48Å; N50-T53 PolarHBondContact O-OG1 3.45Å
51N51.4Low61.2Low64 Ų64105.7 Ų105.734%0.34253%0.527SS..G310 helixtrans-64.8-20.9-171-71.9-41.2000112.2I42 S49 T53 T54I42-N51 HydrophobicContact CD1-CB 4.1Å; I42-N51 VanDerWaalsContact CG2-ND2 3.31Å; I42-N51 WeakPolarHBondContact CG2-ND2 3.49Å; S49-N51 VanDerWaalsContact C-N 3.27Å; S49-N51 PolarHBondContact O-N 2.94Å; S49-N51 PolarHBondContact O-ND2 3.35Å; S49-N51 PolarHBondContact O-OD1 3.14Å; S49-N51 VanDerWaalsContact O-OD1 3.11Å; N51-T53 PolarHBondContact O-N 3.19Å; N51-T54 PolarHBondContact O-N 3.01Å; N51-T54 PolarHBondContact O-OG1 3.25Å
52E50.4Low61.6Low86 Ų86103.9 Ų103.940%0.40251%0.512SS..G310 helixtrans-62-20.3171.2-71.2170.7-144.500114.5N50 T54 K58 Y217N50-E52 PolarHBondContact O-N 2.78Å; N50-E52 VanDerWaalsContact O-N 3.11Å; E52-T54 VanDerWaalsContact C-N 3.27Å; E52-K58 WeakPolarHBondContact O-CE 3.49Å; E52-Y217 HydrophobicContact CG-CE1 4.38Å; E52-Y217 VanDerWaalsContact OE1-CD1 3.26Å; E52-Y217 WeakPolarHBondContact OE1-CD1 3.35Å; E52-Y217 WeakPolarHBondContact OE1-CE1 3.29Å; E52-Y217 VanDerWaalsContact OE2-CE1 3.29Å; E52-Y217 WeakPolarHBondContact OE2-CE1 3.22Å; E52-Y217 PolarHBondContact OE2-OH 3.49Å
53T50.1Low62.4Low105 Ų105103.6 Ų103.664%0.64451%0.51SS*.G310 helixtrans-82.9-6.6179.162.60000113N50 N51 I55N50-T53 HydrophobicContact CB-CG2 3.99Å; N50-T53 WeakPolarHBondContact O-CB 3.46Å; N50-T53 PolarHBondContact O-N 3.48Å; N50-T53 PolarHBondContact O-OG1 3.45Å; N51-T53 PolarHBondContact O-N 3.19Å; T53-I55 PolarHBondContact O-N 3Å
54T56.4Low63.3Low51 Ų5199.1 Ų99.131%0.31348%0.479SS..  trans-73.8105.4176.2630000109.4N51 E52 P56 Y57N51-T54 PolarHBondContact O-N 3.01Å; N51-T54 PolarHBondContact O-OG1 3.25Å; E52-T54 VanDerWaalsContact C-N 3.27Å; T54-P56 VanDerWaalsContact O-N 3.08Å; T54-Y57 WeakPolarHBondContact O-CB 3.33Å; T54-Y57 PolarHBondContact O-N 3.49Å; T54-Y57 WeakPolarHBondContact OG1-CB 3.32Å
55I57.5Low64.2Low142 Ų14288.5 Ų88.573%0.72844%0.439SS*.Hα-helixtrans-39.4-40.9169.7-62.8172.2000113.2T53 Y57 F59T53-I55 PolarHBondContact O-N 3Å; I55-Y57 VanDerWaalsContact C-N 3.32Å; I55-Y57 PolarHBondContact O-N 2.9Å; I55-F59 PolarHBondContact O-N 3.43Å
56P67.5Low65.1Low66 Ų6679.7 Ų79.743%0.42941%0.407SS..Hα-helixtrans-61.4-35.7176.723.2-36.2000113.7T54 F59 V60T54-P56 VanDerWaalsContact O-N 3.08Å; P56-F59 PolarHBondContact O-N 2.95Å; P56-V60 WeakPolarHBondContact O-CB 3.26Å; P56-V60 WeakPolarHBondContact O-CG2 3.34Å; P56-V60 PolarHBondContact O-N 3.42Å
57Y67.1Low66.7Low59 Ų5972.3 Ų72.323%0.23137%0.368CS..Hα-helixtrans-63.2-49.2-178.8-178.1-101.3000111.5L35 T54 I55 F59 V60 W61L35-Y57 HydrophobicContact CD2-CD2 4.1Å; L35-Y57 HydrophobicContact CD2-CE2 3.83Å; T54-Y57 WeakPolarHBondContact O-CB 3.33Å; T54-Y57 PolarHBondContact O-N 3.49Å; T54-Y57 WeakPolarHBondContact OG1-CB 3.32Å; I55-Y57 VanDerWaalsContact C-N 3.32Å; I55-Y57 PolarHBondContact O-N 2.9Å; Y57-F59 VanDerWaalsContact C-N 3.32Å; Y57-F59 PolarHBondContact O-N 3.44Å; Y57-V60 PolarHBondContact O-N 3.41Å; Y57-W61 WeakPolarHBondContact O-CB 3.4Å; Y57-W61 PolarHBondContact O-N 3.3Å
58K70.5Confident68.3Low140 Ų14064.8 Ų64.861%0.60933%0.333SS*.Hα-helixtrans-61.5-40.1178.8-65.6-173179.6-176.60112.1E52 L62E52-K58 WeakPolarHBondContact O-CE 3.49Å; K58-L62 WeakPolarHBondContact O-CB 3.34Å; K58-L62 PolarHBondContact O-N 3.11Å
59F77.9Confident69.9Low118 Ų11855.1 Ų55.152%0.51829%0.288SS..Hα-helixtrans-69.3-41.7178.5180-105.9000112.7I55 P56 Y57 W61 L62 L63I55-F59 PolarHBondContact O-N 3.43Å; P56-F59 PolarHBondContact O-N 2.95Å; Y57-F59 VanDerWaalsContact C-N 3.32Å; Y57-F59 PolarHBondContact O-N 3.44Å; F59-W61 VanDerWaalsContact C-N 3.31Å; F59-L62 HydrophobicContact CD2-CD2 4.06Å; F59-L62 HydrophobicContact CE2-CD2 4.31Å; F59-L62 WeakPolarHBondContact O-CB 3.45Å; F59-L62 PolarHBondContact O-N 2.8Å; F59-L63 HydrophobicContact CD1-CD1 4.02Å; F59-L63 HydrophobicContact CE1-CD1 3.41Å; F59-L63 VanDerWaalsContact CE1-CD1 3.41Å; F59-L63 HydrophobicContact CE1-CG 4.08Å; F59-L63 HydrophobicContact CE2-CG 4.43Å; F59-L63 HydrophobicContact CZ-CD1 3.73Å; F59-L63 HydrophobicContact CZ-CD2 4.24Å; F59-L63 HydrophobicContact CZ-CG 4.03Å; F59-L63 WeakPolarHBondContact O-CG 3.28Å; F59-L63 PolarHBondContact O-N 3.21Å
60V78.7Confident71.3Confident5 Ų553.4 Ų53.43%0.0328%0.275CS..Hα-helixtrans-66.8-38.8176.8174.50000110.5C31 I34 L35 P56 Y57 L63 Y64C31-V60 HydrophobicContact CB-CG1 4.09Å; I34-V60 HydrophobicContact CB-CG1 4.14Å; I34-V60 HydrophobicContact CB-CG2 4.12Å; I34-V60 HydrophobicContact CD1-CG2 4.25Å; I34-V60 HydrophobicContact CG2-CB 4.35Å; I34-V60 HydrophobicContact CG2-CG1 4.11Å; I34-V60 HydrophobicContact CG2-CG2 3.39Å; L35-V60 HydrophobicContact CD1-CG1 4.33Å; L35-V60 HydrophobicContact CD2-CG1 4.07Å; L35-V60 HydrophobicContact CG-CG1 3.72Å; P56-V60 WeakPolarHBondContact O-CB 3.26Å; P56-V60 WeakPolarHBondContact O-CG2 3.34Å; P56-V60 PolarHBondContact O-N 3.42Å; Y57-V60 PolarHBondContact O-N 3.41Å; V60-L63 PolarHBondContact O-N 3.34Å; V60-Y64 WeakPolarHBondContact O-CB 3.47Å; V60-Y64 PolarHBondContact O-N 2.72Å
61W76.4Confident72.8Confident21 Ų2147.3 Ų47.38%0.0824%0.243CC..Hα-helixtrans-65.1-38.7176.3-173.889.3000112.2Y57 F59 Y64 T65 P111 L112 H116Y57-W61 WeakPolarHBondContact O-CB 3.4Å; Y57-W61 PolarHBondContact O-N 3.3Å; F59-W61 VanDerWaalsContact C-N 3.31Å; W61-Y64 PolarHBondContact O-N 2.68Å; W61-T65 HydrophobicContact CH2-CG2 4.33Å; W61-T65 WeakPolarHBondContact CH2-OG1 3.41Å; W61-T65 WeakPolarHBondContact CZ2-OG1 3.05Å; W61-T65 PolarHBondContact O-N 3.04Å; W61-T65 PolarHBondContact O-OG1 2.93Å; W61-P111 WeakPolarHBondContact CZ2-O 3.3Å; W61-P111 PolarHBondContact NE1-O 2.92Å; W61-L112 HydrophobicContact CH2-CD2 4.44Å; W61-L112 HydrophobicContact CZ2-CD2 4.07Å; W61-H116 AromaticContact CE3-CE1 3.97Å; W61-H116 HydrophobicContact CH2-CB 3.84Å; W61-H116 AromaticContact CH2-CD2 3.83Å; W61-H116 AromaticContact CH2-CE1 3.04Å; W61-H116 WeakPolarHBondContact CH2-CE1 3.43Å; W61-H116 AromaticContact CH2-CG 3.22Å; W61-H116 AromaticContact CH2-ND1 2.75Å; W61-H116 WeakPolarHBondContact CH2-ND1 3.36Å; W61-H116 AromaticContact CH2-NE2 3.71Å; W61-H116 AromaticContact CZ2-CE1 3.8Å; W61-H116 AromaticContact CZ2-ND1 3.61Å; W61-H116 HydrophobicContact CZ3-CB 4.18Å; W61-H116 AromaticContact CZ3-CD2 3.48Å; W61-H116 VanDerWaalsContact CZ3-CD2 3.48Å; W61-H116 WeakPolarHBondContact CZ3-CD2 3.28Å; W61-H116 AromaticContact CZ3-CE1 3.05Å; W61-H116 WeakPolarHBondContact CZ3-CE1 3.37Å; W61-H116 AromaticContact CZ3-CG 3.38Å; W61-H116 AromaticContact CZ3-ND1 3.2Å; W61-H116 WeakPolarHBondContact CZ3-ND1 3.39Å; W61-H116 AromaticContact CZ3-NE2 3.25Å; W61-H116 VanDerWaalsContact CZ3-NE2 3.25Å; W61-H116 WeakPolarHBondContact CZ3-NE2 3.31Å
62L78.8Confident74.4Confident43 Ų4345.3 Ų45.323%0.22523%0.231CC..Hα-helixtrans-57.6-52.3169.1167.881000111.3K58 F59 Y64 T65 C66 Y119K58-L62 WeakPolarHBondContact O-CB 3.34Å; K58-L62 PolarHBondContact O-N 3.11Å; F59-L62 HydrophobicContact CD2-CD2 4.06Å; F59-L62 HydrophobicContact CE2-CD2 4.31Å; F59-L62 WeakPolarHBondContact O-CB 3.45Å; F59-L62 PolarHBondContact O-N 2.8Å; L62-Y64 VanDerWaalsContact C-N 3.32Å; L62-Y64 PolarHBondContact O-N 2.96Å; L62-T65 PolarHBondContact O-N 3.33Å; L62-C66 PolarHBondContact O-N 3.36Å; L62-C66 PolarHBondContact O-SG 3.27Å; L62-Y119 VanDerWaalsContact CD1-CB 3.47Å; L62-Y119 HydrophobicContact CD1-CD1 3.83Å; L62-Y119 HydrophobicContact CD1-CD2 3.07Å; L62-Y119 HydrophobicContact CD1-CE1 4.29Å; L62-Y119 HydrophobicContact CD1-CE2 3.53Å; L62-Y119 HydrophobicContact CD1-CG 3.19Å; L62-Y119 HydrophobicContact CG-CD2 4.45Å
63L81.2Confident75.9Confident51 Ų5141.5 Ų41.527%0.26721%0.213SC..Hα-helixtrans-62.5-40-179.6-72-179.9000111.8C31 F59 V60 C66 S67C31-L63 WeakPolarHBondContact SG-CB 3.25Å; F59-L63 HydrophobicContact CD1-CD1 4.02Å; F59-L63 HydrophobicContact CE1-CD1 3.41Å; F59-L63 VanDerWaalsContact CE1-CD1 3.41Å; F59-L63 HydrophobicContact CE1-CG 4.08Å; F59-L63 HydrophobicContact CE2-CG 4.43Å; F59-L63 HydrophobicContact CZ-CD1 3.73Å; F59-L63 HydrophobicContact CZ-CD2 4.24Å; F59-L63 HydrophobicContact CZ-CG 4.03Å; F59-L63 WeakPolarHBondContact O-CG 3.28Å; F59-L63 PolarHBondContact O-N 3.21Å; V60-L63 PolarHBondContact O-N 3.34Å; L63-C66 PolarHBondContact O-N 3.47Å; L63-S67 WeakPolarHBondContact O-CB 3.31Å; L63-S67 PolarHBondContact O-N 2.98Å; L63-S67 PolarHBondContact O-OG 3.31Å
64Y82Confident77.2Confident2 Ų236.7 Ų36.71%0.00818%0.184CC..Hα-helixtrans-58.2-52174.8173.9-104.4000110.9C31 Y32 V60 W61 L62 C66 S67 V68 I110C31-Y64 HydrophobicContact CB-CD2 4.42Å; C31-Y64 PolarHBondContact SG-N 3.25Å; C31-Y64 VanDerWaalsContact SG-N 3.43Å; Y32-Y64 HydrophobicContact CE1-CE2 4.13Å; Y32-Y64 AromaticContact CE2-CE2 3.91Å; Y32-Y64 HydrophobicContact CE2-CE2 3.91Å; Y32-Y64 AromaticContact CZ-CE2 3.56Å; Y32-Y64 WeakPolarHBondContact OH-CE2 3.11Å; Y32-Y64 PolarHBondContact OH-OH 2.97Å; V60-Y64 WeakPolarHBondContact O-CB 3.47Å; V60-Y64 PolarHBondContact O-N 2.72Å; W61-Y64 PolarHBondContact O-N 2.68Å; L62-Y64 VanDerWaalsContact C-N 3.32Å; L62-Y64 PolarHBondContact O-N 2.96Å; Y64-C66 VanDerWaalsContact C-N 3.31Å; Y64-C66 PolarHBondContact O-N 3.3Å; Y64-S67 WeakPolarHBondContact O-CB 3.16Å; Y64-S67 PolarHBondContact O-N 3.11Å; Y64-S67 VanDerWaalsContact O-N 3.11Å; Y64-V68 HydrophobicContact CD1-CG2 4.38Å; Y64-V68 HydrophobicContact CD2-CG2 4.09Å; Y64-V68 HydrophobicContact CE1-CG2 3.95Å; Y64-V68 HydrophobicContact CE2-CG2 3.59Å; Y64-V68 HydrophobicContact CG-CG2 4.45Å; Y64-V68 WeakPolarHBondContact O-CG2 3.33Å; Y64-V68 PolarHBondContact O-N 3.48Å; Y64-I110 HydrophobicContact CD1-CG2 4.41Å; Y64-I110 HydrophobicContact CE1-CD1 3.87Å; Y64-I110 HydrophobicContact CE1-CG2 4.11Å
65T81.6Confident78.5Confident0 Ų035.8 Ų35.80%018%0.176CC..Hα-helixtrans-58.8-43.5179.4-59.60000111.6W61 L62 N69 L112 H116 P120W61-T65 HydrophobicContact CH2-CG2 4.33Å; W61-T65 WeakPolarHBondContact CH2-OG1 3.41Å; W61-T65 WeakPolarHBondContact CZ2-OG1 3.05Å; W61-T65 PolarHBondContact O-N 3.04Å; W61-T65 PolarHBondContact O-OG1 2.93Å; L62-T65 PolarHBondContact O-N 3.33Å; T65-N69 WeakPolarHBondContact O-CB 3.4Å; T65-N69 PolarHBondContact O-N 3.48Å; T65-N69 VanDerWaalsContact O-N 3.1Å; T65-N69 PolarHBondContact O-ND2 3.01Å; T65-L112 HydrophobicContact CG2-CD2 4.03Å; T65-H116 HydrophobicContact CG2-CB 4.09Å; T65-P120 HydrophobicContact CG2-CG 4.5Å
66C82Confident79.6Confident7 Ų731 Ų315%0.04715%0.154CC..Hα-helixtrans-64.2-41.5177.3-63.90000111.9L62 L63 Y64 N69 C70 V123L62-C66 PolarHBondContact O-N 3.36Å; L62-C66 PolarHBondContact O-SG 3.27Å; L63-C66 PolarHBondContact O-N 3.47Å; Y64-C66 VanDerWaalsContact C-N 3.31Å; Y64-C66 PolarHBondContact O-N 3.3Å; C66-N69 PolarHBondContact O-N 3.39Å; C66-C70 WeakPolarHBondContact O-CB 3.47Å; C66-C70 PolarHBondContact O-N 2.9Å; C66-V123 HydrophobicContact CB-CB 4.35Å; C66-V123 HydrophobicContact CB-CG1 4.34Å; C66-V123 HydrophobicContact CB-CG2 4.13Å
67S84Confident80Confident5 Ų529.2 Ų29.24%0.03514%0.14CC..Hα-helixtrans-64.6-49179.9-590000111.8A24 S27 A28 L63 Y64 N69 C70 V71A24-S67 WeakPolarHBondContact O-CB 3.2Å; S27-S67 WeakPolarHBondContact CB-OG 3.16Å; S27-S67 PolarHBondContact OG-OG 2.87Å; A28-S67 PolarHBondContact N-OG 3.45Å; L63-S67 WeakPolarHBondContact O-CB 3.31Å; L63-S67 PolarHBondContact O-N 2.98Å; L63-S67 PolarHBondContact O-OG 3.31Å; Y64-S67 WeakPolarHBondContact O-CB 3.16Å; Y64-S67 PolarHBondContact O-N 3.11Å; Y64-S67 VanDerWaalsContact O-N 3.11Å; S67-N69 VanDerWaalsContact C-N 3.34Å; S67-N69 PolarHBondContact O-N 3.01Å; S67-C70 PolarHBondContact O-N 2.96Å; S67-C70 VanDerWaalsContact O-N 3.14Å; S67-V71 WeakPolarHBondContact O-CG2 3.46Å; S67-V71 PolarHBondContact O-N 2.7Å
68V84.3Confident80.3Confident2 Ų226.4 Ų26.41%0.01213%0.13CC..Hα-helixtrans-56.8-49.1176.7167.20000110.5Y64 C70 V71 Y72 I101 L195Y64-V68 HydrophobicContact CD1-CG2 4.38Å; Y64-V68 HydrophobicContact CD2-CG2 4.09Å; Y64-V68 HydrophobicContact CE1-CG2 3.95Å; Y64-V68 HydrophobicContact CE2-CG2 3.59Å; Y64-V68 HydrophobicContact CG-CG2 4.45Å; Y64-V68 WeakPolarHBondContact O-CG2 3.33Å; Y64-V68 PolarHBondContact O-N 3.48Å; V68-C70 VanDerWaalsContact C-N 3.3Å; V68-C70 PolarHBondContact O-N 2.84Å; V68-V71 PolarHBondContact O-N 3.33Å; V68-Y72 HydrophobicContact CG1-CD2 4.05Å; V68-Y72 HydrophobicContact CG1-CE2 4.18Å; V68-Y72 WeakPolarHBondContact O-CD2 2.77Å; V68-Y72 PolarHBondContact O-N 2.58Å; V68-Y72 VanDerWaalsContact O-N 3.08Å; V68-I101 HydrophobicContact CB-CG2 4.25Å; V68-I101 HydrophobicContact CG1-CG2 3.71Å; V68-I101 HydrophobicContact CG2-CD1 4.38Å; V68-I101 HydrophobicContact CG2-CG2 3.72Å; V68-L195 HydrophobicContact CG1-CD1 3.71Å
69N84.6Confident80.7Confident0 Ų026.1 Ų26.10%013%0.125CC..Hα-helixtrans-60.4-41.5177.8-82.8-88.2000111.8T65 C66 S67 Y72 S73 P120 H192T65-N69 WeakPolarHBondContact O-CB 3.4Å; T65-N69 PolarHBondContact O-N 3.48Å; T65-N69 VanDerWaalsContact O-N 3.1Å; T65-N69 PolarHBondContact O-ND2 3.01Å; C66-N69 PolarHBondContact O-N 3.39Å; S67-N69 VanDerWaalsContact C-N 3.34Å; S67-N69 PolarHBondContact O-N 3.01Å; N69-Y72 PolarHBondContact O-N 3.5Å; N69-S73 WeakPolarHBondContact O-CB 3.48Å; N69-S73 PolarHBondContact O-N 2.82Å; N69-S73 PolarHBondContact O-OG 3.49Å; N69-P120 HydrophobicContact CB-CB 3.76Å; N69-P120 HydrophobicContact CB-CG 3.71Å; N69-H192 PolarHBondContact ND2-ND1 2.95Å; N69-H192 VanDerWaalsContact ND2-ND1 3.14Å; N69-H192 WeakPolarHBondContact OD1-CA 3.14Å; N69-H192 WeakPolarHBondContact OD1-CB 3.12Å; N69-H192 PolarHBondContact OD1-N 3.16Å; N69-H192 PolarHBondContact OD1-ND1 3.28Å
70C81.4Confident80.6Confident23 Ų2325.6 Ų25.616%0.15513%0.125CC..Hα-helixtrans-66.2-40.2178.3-168.10000112.5A24 C66 S67 V68 S73 T74A24-C70 HydrophobicContact CB-CB 3.63Å; C66-C70 WeakPolarHBondContact O-CB 3.47Å; C66-C70 PolarHBondContact O-N 2.9Å; S67-C70 PolarHBondContact O-N 2.96Å; S67-C70 VanDerWaalsContact O-N 3.14Å; V68-C70 VanDerWaalsContact C-N 3.3Å; V68-C70 PolarHBondContact O-N 2.84Å; C70-S73 PolarHBondContact O-N 3.38Å; C70-T74 WeakPolarHBondContact O-CG2 3.11Å; C70-T74 PolarHBondContact O-N 3.33Å; C70-T74 PolarHBondContact O-OG1 3.42Å
71V84.7Confident80.1Confident4 Ų432.7 Ų32.72%0.02416%0.156CC..Hα-helixtrans-59.8-48.9174.5172.50000110.5A24 L25 S67 V68 S73 T74 M75 P97 I101A24-V71 HydrophobicContact CB-CG2 3.62Å; L25-V71 HydrophobicContact CD2-CG2 4.46Å; L25-V71 HydrophobicContact CG-CG2 4.4Å; S67-V71 WeakPolarHBondContact O-CG2 3.46Å; S67-V71 PolarHBondContact O-N 2.7Å; V68-V71 PolarHBondContact O-N 3.33Å; V71-S73 PolarHBondContact O-N 3.42Å; V71-T74 PolarHBondContact O-N 2.85Å; V71-T74 PolarHBondContact O-OG1 3.08Å; V71-M75 VanDerWaalsContact O-CB 3.31Å; V71-M75 WeakPolarHBondContact O-CB 3.14Å; V71-M75 PolarHBondContact O-N 3.27Å; V71-P97 HydrophobicContact CG1-CB 3.6Å; V71-I101 HydrophobicContact CB-CD1 3.85Å; V71-I101 HydrophobicContact CG1-CD1 3.84Å; V71-I101 HydrophobicContact CG2-CD1 3.84Å
72Y85.8Confident79.6Confident22 Ų2232.8 Ų32.89%0.08616%0.158CC..Hα-helixtrans-67.4-36.9178.3-83-82.5000112.7V68 N69 M75 T76 G98 I101 L102 I191 L195V68-Y72 HydrophobicContact CG1-CD2 4.05Å; V68-Y72 HydrophobicContact CG1-CE2 4.18Å; V68-Y72 WeakPolarHBondContact O-CD2 2.77Å; V68-Y72 PolarHBondContact O-N 2.58Å; V68-Y72 VanDerWaalsContact O-N 3.08Å; N69-Y72 PolarHBondContact O-N 3.5Å; Y72-M75 HydrophobicContact CD1-CE 3.57Å; Y72-M75 HydrophobicContact CE1-CE 3.77Å; Y72-M75 PolarHBondContact O-N 2.67Å; Y72-T76 WeakPolarHBondContact O-CB 3.47Å; Y72-T76 PolarHBondContact O-N 3.42Å; Y72-T76 PolarHBondContact O-OG1 3.35Å; Y72-G98 PolarHBondContact OH-O 2.71Å; Y72-I101 HydrophobicContact CE2-CB 4.24Å; Y72-I101 HydrophobicContact CE2-CG2 3.85Å; Y72-L102 WeakPolarHBondContact OH-CA 3.26Å; Y72-L102 WeakPolarHBondContact OH-CB 3.19Å; Y72-L102 WeakPolarHBondContact OH-CD1 3.29Å; Y72-L102 PolarHBondContact OH-N 3.35Å; Y72-I191 HydrophobicContact CG-CG2 4.3Å; Y72-L195 HydrophobicContact CD2-CD1 3.96Å; Y72-L195 HydrophobicContact CD2-CD2 3.72Å; Y72-L195 HydrophobicContact CD2-CG 4.38Å; Y72-L195 HydrophobicContact CE1-CD2 4.33Å; Y72-L195 HydrophobicContact CE2-CD1 4.5Å; Y72-L195 HydrophobicContact CE2-CD2 3.51Å; Y72-L195 HydrophobicContact CG-CD1 4.44Å; Y72-L195 HydrophobicContact CG-CD2 4.22Å
73S81.7Confident79Confident5 Ų531.5 Ų31.54%0.03516%0.155CC..Hα-helixtrans-59.6-49.8174.6-710000111.4N69 C70 V71 T76 L77N69-S73 WeakPolarHBondContact O-CB 3.48Å; N69-S73 PolarHBondContact O-N 2.82Å; N69-S73 PolarHBondContact O-OG 3.49Å; C70-S73 PolarHBondContact O-N 3.38Å; V71-S73 PolarHBondContact O-N 3.42Å; S73-T76 PolarHBondContact O-N 3.14Å; S73-L77 WeakPolarHBondContact O-CB 3.28Å; S73-L77 VanDerWaalsContact O-CG 3.24Å; S73-L77 WeakPolarHBondContact O-CG 3.34Å; S73-L77 PolarHBondContact O-N 3.48Å
74T78.1Confident78.5Confident5 Ų540.8 Ų40.83%0.03119%0.186CC..Hα-helixtrans-65.5-39.8179.255.60000112A20 C70 V71 H78 I158A20-T74 HydrophobicContact CB-CG2 3.84Å; C70-T74 WeakPolarHBondContact O-CG2 3.11Å; C70-T74 PolarHBondContact O-N 3.33Å; C70-T74 PolarHBondContact O-OG1 3.42Å; V71-T74 PolarHBondContact O-N 2.85Å; V71-T74 PolarHBondContact O-OG1 3.08Å; T74-H78 WeakPolarHBondContact O-CB 3.42Å; T74-H78 PolarHBondContact O-N 2.83Å; T74-I158 HydrophobicContact CG2-CG2 4.32Å
75M82.7Confident78.1Confident31 Ų3149.1 Ų49.115%0.15323%0.225CC..Hα-helixtrans-63.1-46.7174.3-175.9-177.379.500112.1V71 Y72 L77 H78 W79 H94V71-M75 VanDerWaalsContact O-CB 3.31Å; V71-M75 WeakPolarHBondContact O-CB 3.14Å; V71-M75 PolarHBondContact O-N 3.27Å; Y72-M75 HydrophobicContact CD1-CE 3.57Å; Y72-M75 HydrophobicContact CE1-CE 3.77Å; Y72-M75 PolarHBondContact O-N 2.67Å; M75-L77 PolarHBondContact O-N 3.38Å; M75-H78 WeakPolarHBondContact O-CB 3.28Å; M75-H78 PolarHBondContact O-N 3.21Å; M75-W79 VanDerWaalsContact O-CD1 3.3Å; M75-W79 PolarHBondContact O-N 3.33Å; M75-H94 WeakPolarHBondContact CG-O 3.3Å
76T80.3Confident77.4Confident42 Ų4250 Ų5026%0.25823%0.232SC..Hα-helixtrans-63.8-44.2-179-51.80000110.2Y72 S73 H78 W79 M80 I191Y72-T76 WeakPolarHBondContact O-CB 3.47Å; Y72-T76 PolarHBondContact O-N 3.42Å; Y72-T76 PolarHBondContact O-OG1 3.35Å; S73-T76 PolarHBondContact O-N 3.14Å; T76-H78 PolarHBondContact O-N 2.87Å; T76-W79 PolarHBondContact O-N 2.92Å; T76-M80 HydrophobicContact CG2-CE 3.45Å; T76-M80 VanDerWaalsContact CG2-CE 3.45Å; T76-M80 HydrophobicContact CG2-CG 4.25Å; T76-M80 HydrophobicContact CG2-SD 4Å; T76-M80 WeakPolarHBondContact O-CB 3.33Å; T76-M80 VanDerWaalsContact O-CG 3.28Å; T76-M80 WeakPolarHBondContact O-CG 3.48Å; T76-M80 PolarHBondContact O-N 3.36Å; T76-I191 WeakPolarHBondContact OG1-CD1 3.49Å
77L75.3Confident77.2Confident28 Ų2852.5 Ų52.515%0.14725%0.249CC..Hα-helixtrans-61.8-42.7176-72170.1000111.9S73 M75 W79 M80 F81 I158 I187S73-L77 WeakPolarHBondContact O-CB 3.28Å; S73-L77 VanDerWaalsContact O-CG 3.24Å; S73-L77 WeakPolarHBondContact O-CG 3.34Å; S73-L77 PolarHBondContact O-N 3.48Å; M75-L77 PolarHBondContact O-N 3.38Å; L77-W79 PolarHBondContact O-N 3.47Å; L77-M80 HydrophobicContact CD2-CE 4.04Å; L77-M80 PolarHBondContact O-N 3.04Å; L77-F81 HydrophobicContact CD2-CD2 4.04Å; L77-F81 HydrophobicContact CD2-CE2 3.57Å; L77-F81 WeakPolarHBondContact O-CD2 3.42Å; L77-F81 PolarHBondContact O-N 3.32Å; L77-F81 VanDerWaalsContact O-N 3.13Å; L77-I158 HydrophobicContact CB-CG2 4.24Å; L77-I158 HydrophobicContact CD1-CB 4.49Å; L77-I158 HydrophobicContact CD1-CG2 3.33Å; L77-I158 HydrophobicContact CG-CG2 4.4Å; L77-I187 HydrophobicContact CD2-CD1 3.53Å; L77-I187 HydrophobicContact CG-CD1 4.39Å
78H74.5Confident77Confident1 Ų158.6 Ų58.61%0.00528%0.28CS..Hα-helixtrans-56.7-50.7174.4176.279.4000111.7T74 M75 T76 I82 G83 S86 H94T74-H78 WeakPolarHBondContact O-CB 3.42Å; T74-H78 PolarHBondContact O-N 2.83Å; M75-H78 WeakPolarHBondContact O-CB 3.28Å; M75-H78 PolarHBondContact O-N 3.21Å; T76-H78 PolarHBondContact O-N 2.87Å; H78-I82 CarbonylContact O-C 3.25Å; H78-I82 WeakPolarHBondContact O-CA 3.38Å; H78-I82 PolarHBondContact O-N 3.34Å; H78-G83 PolarHBondContact O-N 3.5Å; H78-S86 VanDerWaalsContact CE1-CB 3.5Å; H78-S86 WeakPolarHBondContact CE1-CB 3.44Å; H78-S86 PolarHBondContact NE2-OG 2.93Å; H78-H94 HydrophobicContact CB-CB 4.14Å; H78-H94 AromaticContact CD2-CD2 3.99Å; H78-H94 AromaticContact CE1-CD2 3.68Å; H78-H94 AromaticContact CG-CD2 3.47Å; H78-H94 VanDerWaalsContact CG-CD2 3.47Å; H78-H94 AromaticContact CG-CG 3.78Å; H78-H94 AromaticContact ND1-CD2 3.26Å; H78-H94 PolarHBondContact ND1-CD2 2.86Å; H78-H94 VanDerWaalsContact ND1-CD2 3.26Å; H78-H94 AromaticContact ND1-NE2 3.93Å
79W79.5Confident76.5Confident134 Ų13464.1 Ų64.151%0.50831%0.306SS..Hα-helixtrans-67.1-39.8-179.5-82.5104.5000113.6M75 T76 L77 T91 S95M75-W79 VanDerWaalsContact O-CD1 3.3Å; M75-W79 PolarHBondContact O-N 3.33Å; T76-W79 PolarHBondContact O-N 2.92Å; L77-W79 PolarHBondContact O-N 3.47Å; W79-T91 HydrophobicContact CH2-CG2 3.87Å; W79-T91 HydrophobicContact CZ2-CG2 3.71Å; W79-S95 PolarHBondContact NE1-OG 3.36Å; W79-S95 VanDerWaalsContact NE1-OG 3.16Å
80M74.2Confident75.7Confident106 Ų10667.3 Ų67.352%0.52232%0.321SS..Hα-helixtrans-67.1-38.1-178.5-75.4-170.4-66.600112.9T76 L77 I187T76-M80 HydrophobicContact CG2-CE 3.45Å; T76-M80 VanDerWaalsContact CG2-CE 3.45Å; T76-M80 HydrophobicContact CG2-CG 4.25Å; T76-M80 HydrophobicContact CG2-SD 4Å; T76-M80 WeakPolarHBondContact O-CB 3.33Å; T76-M80 VanDerWaalsContact O-CG 3.28Å; T76-M80 WeakPolarHBondContact O-CG 3.48Å; T76-M80 PolarHBondContact O-N 3.36Å; L77-M80 HydrophobicContact CD2-CE 4.04Å; L77-M80 PolarHBondContact O-N 3.04Å; M80-I187 HydrophobicContact CE-CD1 3.91Å; M80-I187 HydrophobicContact CE-CG1 4.49Å
81F68.5Low75.5Confident155 Ų15567.3 Ų67.368%0.6832%0.32SS*.Hα-helixtrans-102.6-29.1-172-67.5-68.5000113.6L77L77-F81 HydrophobicContact CD2-CD2 4.04Å; L77-F81 HydrophobicContact CD2-CE2 3.57Å; L77-F81 WeakPolarHBondContact O-CD2 3.42Å; L77-F81 PolarHBondContact O-N 3.32Å; L77-F81 VanDerWaalsContact O-N 3.13Å
82I66.7Low75.4Confident23 Ų2371 Ų7112%0.11834%0.339CS..THydrogen-bonded Turntrans-140.5-17.6-157.4-44.3-171.3000113.8H78 R84 Q85 S86 H161H78-I82 CarbonylContact O-C 3.25Å; H78-I82 WeakPolarHBondContact O-CA 3.38Å; H78-I82 PolarHBondContact O-N 3.34Å; I82-R84 PolarHBondContact O-N 3.26Å; I82-Q85 PolarHBondContact O-N 3.02Å; I82-S86 PolarHBondContact O-N 3.14Å; I82-S86 VanDerWaalsContact O-N 3.08Å; I82-S86 PolarHBondContact O-OG 3.47Å; I82-H161 HydrophobicContact CD1-CB 3.4Å; I82-H161 WeakPolarHBondContact CD1-CD2 3.41Å
83G64.8Low75Confident15 Ų1575.5 Ų75.516%0.15536%0.359CS..THydrogen-bonded Turntrans-53-18.6-173.100000115.6H78 S86H78-G83 PolarHBondContact O-N 3.5Å; G83-S86 WeakPolarHBondContact CA-OG 3.34Å; G83-S86 PolarHBondContact O-OG 2.97Å
84R71.1Confident74.7Confident247 Ų24775.8 Ų75.893%0.93236%0.36SS*.THydrogen-bonded Turntrans-83.8-24.8174.7-167.9171.7179.7177.10.7114.7I82I82-R84 PolarHBondContact O-N 3.26Å
85Q74.2Confident75.1Confident176 Ų17676.5 Ų76.582%0.82237%0.365SS*.THydrogen-bonded Turntrans-108-12.6-176.1-63.5179.83.700112.9I82I82-Q85 PolarHBondContact O-N 3.02Å
86S67Low75.2Confident20 Ų2079.2 Ų79.214%0.1438%0.379CS..SBendtrans-67.6148.4-179.647.70000112.5H78 I82 G83 T91H78-S86 VanDerWaalsContact CE1-CB 3.5Å; H78-S86 WeakPolarHBondContact CE1-CB 3.44Å; H78-S86 PolarHBondContact NE2-OG 2.93Å; I82-S86 PolarHBondContact O-N 3.14Å; I82-S86 VanDerWaalsContact O-N 3.08Å; I82-S86 PolarHBondContact O-OG 3.47Å; G83-S86 WeakPolarHBondContact CA-OG 3.34Å; G83-S86 PolarHBondContact O-OG 2.97Å; S86-T91 PolarHBondContact OG-OG1 3.1Å
87S78.1Confident75.2Confident58 Ų5877.9 Ų77.941%0.40637%0.371SS..  trans-64.5158.3168.271.20000110.4E89 Q90 T91S87-E89 PolarHBondContact O-N 3.02Å; S87-Q90 PolarHBondContact O-N 3.43Å; S87-Q90 PolarHBondContact OG-N 3Å; S87-T91 PolarHBondContact O-N 3.43Å; S87-T91 PolarHBondContact O-OG1 3.25Å
88L80.2Confident75.6Confident134 Ų13476.6 Ų76.670%0.70237%0.365SS*.Hα-helixtrans-54.9-40.7174.6-179.166.5000110.9T91 L92L88-T91 PolarHBondContact O-N 2.9Å; L88-L92 HydrophobicContact CD1-CD1 4.33Å; L88-L92 HydrophobicContact CD1-CG 4.29Å; L88-L92 HydrophobicContact CG-CD1 4.02Å; L88-L92 HydrophobicContact CG-CG 4.36Å; L88-L92 WeakPolarHBondContact O-CB 3.33Å; L88-L92 VanDerWaalsContact O-CG 3.29Å; L88-L92 WeakPolarHBondContact O-CG 3.37Å; L88-L92 PolarHBondContact O-N 3.37Å
89E72.5Confident76.1Confident118 Ų11879.8 Ų79.855%0.55139%0.387SS*.Hα-helixtrans-59.4-48.2178-171-167.8146.700112.3S87 T91 L92 K93S87-E89 PolarHBondContact O-N 3.02Å; E89-T91 VanDerWaalsContact C-N 3.33Å; E89-T91 PolarHBondContact O-N 2.83Å; E89-L92 PolarHBondContact O-N 2.81Å; E89-K93 HydrophobicContact CG-CD 4.32Å; E89-K93 WeakPolarHBondContact O-CB 3.4Å; E89-K93 VanDerWaalsContact O-CG 3.3Å; E89-K93 WeakPolarHBondContact O-CG 3.36Å; E89-K93 PolarHBondContact O-N 3.23Å; E89-K93 VanDerWaalsContact OE1-CE 3.29Å; E89-K93 WeakPolarHBondContact OE1-CE 3.36Å; E89-K93 IonicContact OE1-NZ 2.64Å; E89-K93 PolarHBondContact OE1-NZ 3.33Å
90Q67.5Low76.4Confident67 Ų6778.6 Ų78.631%0.31339%0.39SS..Hα-helixtrans-64.2-40.4177.6-76-178.6-37.200111.9S87 L92 K93 H94S87-Q90 PolarHBondContact O-N 3.43Å; S87-Q90 PolarHBondContact OG-N 3Å; Q90-L92 VanDerWaalsContact C-N 3.35Å; Q90-L92 PolarHBondContact O-N 3.31Å; Q90-K93 WeakPolarHBondContact O-CB 3.36Å; Q90-K93 PolarHBondContact O-N 3.11Å; Q90-H94 PolarHBondContact O-CD2 3.45Å; Q90-H94 VanDerWaalsContact O-CD2 3.28Å; Q90-H94 PolarHBondContact O-N 3.46Å
91T78.1Confident76.8Confident22 Ų2274 Ų7414%0.13537%0.367CS..Hα-helixtrans-62.4-44.1178.8-51.50000111W79 S86 S87 L88 E89 H94 S95W79-T91 HydrophobicContact CH2-CG2 3.87Å; W79-T91 HydrophobicContact CZ2-CG2 3.71Å; S86-T91 PolarHBondContact OG-OG1 3.1Å; S87-T91 PolarHBondContact O-N 3.43Å; S87-T91 PolarHBondContact O-OG1 3.25Å; L88-T91 PolarHBondContact O-N 2.9Å; E89-T91 VanDerWaalsContact C-N 3.33Å; E89-T91 PolarHBondContact O-N 2.83Å; T91-H94 PolarHBondContact O-N 3.26Å; T91-S95 VanDerWaalsContact O-CB 3.28Å; T91-S95 WeakPolarHBondContact O-CB 3.47Å; T91-S95 PolarHBondContact O-N 3.27Å; T91-S95 PolarHBondContact O-OG 3.3Å
92L82.5Confident77.5Confident81 Ų8169.4 Ų69.442%0.42435%0.349SS..Hα-helixtrans-67.1-40.5176.3-70.1177000111.9L88 E89 Q90 H94 S95 I96L88-L92 HydrophobicContact CD1-CD1 4.33Å; L88-L92 HydrophobicContact CD1-CG 4.29Å; L88-L92 HydrophobicContact CG-CD1 4.02Å; L88-L92 HydrophobicContact CG-CG 4.36Å; L88-L92 WeakPolarHBondContact O-CB 3.33Å; L88-L92 VanDerWaalsContact O-CG 3.29Å; L88-L92 WeakPolarHBondContact O-CG 3.37Å; L88-L92 PolarHBondContact O-N 3.37Å; E89-L92 PolarHBondContact O-N 2.81Å; Q90-L92 VanDerWaalsContact C-N 3.35Å; Q90-L92 PolarHBondContact O-N 3.31Å; L92-H94 VanDerWaalsContact C-N 3.25Å; L92-H94 PolarHBondContact O-N 2.89Å; L92-S95 PolarHBondContact O-N 2.88Å; L92-I96 HydrophobicContact CB-CD1 3.96Å; L92-I96 HydrophobicContact CB-CG1 4.47Å; L92-I96 HydrophobicContact CD2-CD1 4.23Å; L92-I96 HydrophobicContact CD2-CG1 4.41Å; L92-I96 WeakPolarHBondContact O-CB 3.28Å; L92-I96 WeakPolarHBondContact O-CG1 3.35Å; L92-I96 PolarHBondContact O-N 2.85Å
93K76.4Confident78.3Confident117 Ų11774.1 Ų74.151%0.50937%0.372SS..Hα-helixtrans-57-36.2177-82.4172.7168.8173.30113E89 Q90 P97E89-K93 HydrophobicContact CG-CD 4.32Å; E89-K93 WeakPolarHBondContact O-CB 3.4Å; E89-K93 VanDerWaalsContact O-CG 3.3Å; E89-K93 WeakPolarHBondContact O-CG 3.36Å; E89-K93 PolarHBondContact O-N 3.23Å; E89-K93 VanDerWaalsContact OE1-CE 3.29Å; E89-K93 WeakPolarHBondContact OE1-CE 3.36Å; E89-K93 IonicContact OE1-NZ 2.64Å; E89-K93 PolarHBondContact OE1-NZ 3.33Å; Q90-K93 WeakPolarHBondContact O-CB 3.36Å; Q90-K93 PolarHBondContact O-N 3.11Å; K93-P97 WeakPolarHBondContact O-CD 3.33Å; K93-P97 WeakPolarHBondContact O-CG 3.45Å
94H77.2Confident78.9Confident12 Ų1274.9 Ų74.96%0.05637%0.373CS..Hα-helixtrans-89.2-29.4178-70.8-60.7000113.8S21 M75 H78 Q90 T91 L92 G159S21-H94 PolarHBondContact OG-CE1 3.48Å; M75-H94 WeakPolarHBondContact CG-O 3.3Å; H78-H94 HydrophobicContact CB-CB 4.14Å; H78-H94 AromaticContact CD2-CD2 3.99Å; H78-H94 AromaticContact CE1-CD2 3.68Å; H78-H94 AromaticContact CG-CD2 3.47Å; H78-H94 VanDerWaalsContact CG-CD2 3.47Å; H78-H94 AromaticContact CG-CG 3.78Å; H78-H94 AromaticContact ND1-CD2 3.26Å; H78-H94 PolarHBondContact ND1-CD2 2.86Å; H78-H94 VanDerWaalsContact ND1-CD2 3.26Å; H78-H94 AromaticContact ND1-NE2 3.93Å; Q90-H94 PolarHBondContact O-CD2 3.45Å; Q90-H94 VanDerWaalsContact O-CD2 3.28Å; Q90-H94 PolarHBondContact O-N 3.46Å; T91-H94 PolarHBondContact O-N 3.26Å; L92-H94 VanDerWaalsContact C-N 3.25Å; L92-H94 PolarHBondContact O-N 2.89Å; H94-G159 PolarHBondContact NE2-O 3.49Å
95S84.8Confident79.1Confident20 Ų2063.4 Ų63.414%0.1433%0.33CS..Hα-helixtrans-86.2-42.1-174.3-53.90000113.5W79 T91 L92 G98 C99W79-S95 PolarHBondContact NE1-OG 3.36Å; W79-S95 VanDerWaalsContact NE1-OG 3.16Å; T91-S95 VanDerWaalsContact O-CB 3.28Å; T91-S95 WeakPolarHBondContact O-CB 3.47Å; T91-S95 PolarHBondContact O-N 3.27Å; T91-S95 PolarHBondContact O-OG 3.3Å; L92-S95 PolarHBondContact O-N 2.88Å; S95-G98 PolarHBondContact O-N 3.48Å; S95-C99 PolarHBondContact O-N 3.36Å; S95-C99 PolarHBondContact O-SG 3.28Å; S95-C99 VanDerWaalsContact O-SG 3.33Å
96I85Confident79.1Confident87 Ų8759.6 Ų59.645%0.44631%0.311SS..Hα-helixtrans-57.6-47.7-177.8-67.5171.1000111.7L92 G98 C99 L100L92-I96 HydrophobicContact CB-CD1 3.96Å; L92-I96 HydrophobicContact CB-CG1 4.47Å; L92-I96 HydrophobicContact CD2-CD1 4.23Å; L92-I96 HydrophobicContact CD2-CG1 4.41Å; L92-I96 WeakPolarHBondContact O-CB 3.28Å; L92-I96 WeakPolarHBondContact O-CG1 3.35Å; L92-I96 PolarHBondContact O-N 2.85Å; I96-G98 PolarHBondContact O-N 2.99Å; I96-C99 PolarHBondContact O-N 3.31Å; I96-L100 HydrophobicContact CG2-CD1 3.82Å; I96-L100 HydrophobicContact CG2-CG 4.2Å; I96-L100 WeakPolarHBondContact O-CG 3.49Å; I96-L100 PolarHBondContact O-N 3.47Å
97P81.7Confident79.3Confident14 Ų1465.5 Ų65.59%0.09134%0.34CS..Hα-helixtrans-53.4-47.7174.6-32.640.6000114.2L25 V71 K93 L100 I101L25-P97 HydrophobicContact CD1-CB 4.24Å; L25-P97 HydrophobicContact CD1-CG 3.61Å; L25-P97 HydrophobicContact CD2-CB 3.49Å; L25-P97 VanDerWaalsContact CD2-CB 3.49Å; L25-P97 HydrophobicContact CD2-CG 3.7Å; L25-P97 HydrophobicContact CG-CB 4.09Å; L25-P97 HydrophobicContact CG-CG 4.03Å; V71-P97 HydrophobicContact CG1-CB 3.6Å; K93-P97 WeakPolarHBondContact O-CD 3.33Å; K93-P97 WeakPolarHBondContact O-CG 3.45Å; P97-L100 PolarHBondContact O-N 2.93Å; P97-I101 WeakPolarHBondContact O-CG1 3.37Å; P97-I101 PolarHBondContact O-N 3.19Å
98G83.3Confident78.7Confident2 Ų265.8 Ų65.82%0.02134%0.338CS..Hα-helixtrans-62.3-45.5179.600000111.2Y72 S95 I96 L100 I101 L102Y72-G98 PolarHBondContact OH-O 2.71Å; S95-G98 PolarHBondContact O-N 3.48Å; I96-G98 PolarHBondContact O-N 2.99Å; G98-L100 PolarHBondContact O-N 3.25Å; G98-I101 PolarHBondContact O-N 3.01Å; G98-L102 WeakPolarHBondContact O-CB 3.38Å; G98-L102 PolarHBondContact O-N 2.95Å
99C85.4Confident77.7Confident68 Ų6860.8 Ų60.846%0.45931%0.314SS..Hα-helixtrans-61.1-43.4176.7-67.60000112.8S95 I96 L102 M103S95-C99 PolarHBondContact O-N 3.36Å; S95-C99 PolarHBondContact O-SG 3.28Å; S95-C99 VanDerWaalsContact O-SG 3.33Å; I96-C99 PolarHBondContact O-N 3.31Å; C99-L102 WeakPolarHBondContact O-CB 3.46Å; C99-L102 PolarHBondContact O-N 2.79Å; C99-M103 WeakPolarHBondContact O-CG 3.46Å; C99-M103 PolarHBondContact O-N 2.9Å
100L84.4Confident77.3Confident108 Ų10856.5 Ų56.557%0.56529%0.294SS*.Hα-helixtrans-64.4-44.5178.6-71.4174.6000111.6I96 P97 G98 L102 M103 D104I96-L100 HydrophobicContact CG2-CD1 3.82Å; I96-L100 HydrophobicContact CG2-CG 4.2Å; I96-L100 WeakPolarHBondContact O-CG 3.49Å; I96-L100 PolarHBondContact O-N 3.47Å; P97-L100 PolarHBondContact O-N 2.93Å; G98-L100 PolarHBondContact O-N 3.25Å; L100-L102 VanDerWaalsContact C-N 3.31Å; L100-L102 PolarHBondContact O-N 2.88Å; L100-M103 PolarHBondContact O-N 3.37Å; L100-D104 WeakPolarHBondContact O-CB 3.34Å; L100-D104 PolarHBondContact O-N 2.87Å
101I82.6Confident77.1Confident9 Ų955.1 Ų55.15%0.04629%0.291CS..Hα-helixtrans-66.5-35.8176.1-65.9170.8000110.9V68 V71 Y72 P97 G98 D104 L105V68-I101 HydrophobicContact CB-CG2 4.25Å; V68-I101 HydrophobicContact CG1-CG2 3.71Å; V68-I101 HydrophobicContact CG2-CD1 4.38Å; V68-I101 HydrophobicContact CG2-CG2 3.72Å; V71-I101 HydrophobicContact CB-CD1 3.85Å; V71-I101 HydrophobicContact CG1-CD1 3.84Å; V71-I101 HydrophobicContact CG2-CD1 3.84Å; Y72-I101 HydrophobicContact CE2-CB 4.24Å; Y72-I101 HydrophobicContact CE2-CG2 3.85Å; P97-I101 WeakPolarHBondContact O-CG1 3.37Å; P97-I101 PolarHBondContact O-N 3.19Å; G98-I101 PolarHBondContact O-N 3.01Å; I101-D104 WeakPolarHBondContact O-CB 3.4Å; I101-D104 PolarHBondContact O-N 3.45Å; I101-L105 HydrophobicContact CG2-CD1 4.16Å; I101-L105 HydrophobicContact CG2-CG 4.33Å; I101-L105 WeakPolarHBondContact O-CG 3.5Å; I101-L105 PolarHBondContact O-N 2.9Å
102L84.4Confident76.2Confident59 Ų5954.8 Ų54.831%0.30929%0.288SS..Hα-helixtrans-59.7-51174.4-168.260.2000110.7Y72 G98 C99 L100 D104 L105 F106 L198Y72-L102 WeakPolarHBondContact OH-CA 3.26Å; Y72-L102 WeakPolarHBondContact OH-CB 3.19Å; Y72-L102 WeakPolarHBondContact OH-CD1 3.29Å; Y72-L102 PolarHBondContact OH-N 3.35Å; G98-L102 WeakPolarHBondContact O-CB 3.38Å; G98-L102 PolarHBondContact O-N 2.95Å; C99-L102 WeakPolarHBondContact O-CB 3.46Å; C99-L102 PolarHBondContact O-N 2.79Å; L100-L102 VanDerWaalsContact C-N 3.31Å; L100-L102 PolarHBondContact O-N 2.88Å; L102-D104 VanDerWaalsContact C-N 3.25Å; L102-D104 PolarHBondContact O-N 3.32Å; L102-L105 PolarHBondContact O-N 3.16Å; L102-F106 HydrophobicContact CD1-CD2 4.27Å; L102-F106 HydrophobicContact CD1-CE2 3.7Å; L102-F106 HydrophobicContact CG-CD2 4.11Å; L102-F106 HydrophobicContact CG-CE2 3.82Å; L102-F106 WeakPolarHBondContact O-CD2 3.07Å; L102-F106 PolarHBondContact O-N 2.77Å; L102-F106 VanDerWaalsContact O-N 3.14Å; L102-L198 HydrophobicContact CD1-CD1 3.84Å
103M82.3Confident75.1Confident122 Ų12256.3 Ų56.360%0.60129%0.289SS*.Hα-helixtrans-57.3-43.5175.9-72.2-176.7174.300110.8C99 L100 L105 F106 L107C99-M103 WeakPolarHBondContact O-CG 3.46Å; C99-M103 PolarHBondContact O-N 2.9Å; L100-M103 PolarHBondContact O-N 3.37Å; M103-L105 PolarHBondContact O-N 3.25Å; M103-F106 PolarHBondContact O-N 3.4Å; M103-F106 VanDerWaalsContact O-N 3.17Å; M103-L107 WeakPolarHBondContact O-CB 3.28Å; M103-L107 VanDerWaalsContact O-CG 3.26Å; M103-L107 WeakPolarHBondContact O-CG 3.39Å; M103-L107 PolarHBondContact O-N 3.37Å
104D77.7Confident74.3Confident31 Ų3156.7 Ų56.717%0.16630%0.296CS..Hα-helixtrans-61.7-43.5177.6-164.283.6000112.6Y32 L100 I101 L102 F106 L107 N108Y32-D104 WeakPolarHBondContact CE1-OD2 3.4Å; Y32-D104 WeakPolarHBondContact OH-CB 3.41Å; Y32-D104 PolarHBondContact OH-OD1 2.77Å; Y32-D104 PolarHBondContact OH-OD2 3.31Å; L100-D104 WeakPolarHBondContact O-CB 3.34Å; L100-D104 PolarHBondContact O-N 2.87Å; I101-D104 WeakPolarHBondContact O-CB 3.4Å; I101-D104 PolarHBondContact O-N 3.45Å; L102-D104 VanDerWaalsContact C-N 3.25Å; L102-D104 PolarHBondContact O-N 3.32Å; D104-F106 PolarHBondContact O-N 2.96Å; D104-L107 PolarHBondContact O-N 3.2Å; D104-L107 VanDerWaalsContact O-N 3.16Å; D104-N108 WeakPolarHBondContact O-CA 3.36Å; D104-N108 VanDerWaalsContact O-CB 3.32Å; D104-N108 WeakPolarHBondContact O-CB 3.44Å; D104-N108 PolarHBondContact O-N 2.93Å; D104-N108 PolarHBondContact OD1-ND2 3.02Å; D104-N108 PolarHBondContact OD2-ND2 3.39Å
105L76.7Confident73.9Confident6 Ų659.1 Ų59.13%0.03131%0.313CS..Hα-helixtrans-62-31.2175.9-74.4169.2000112.4I101 L102 M103 L112 L195 V199 R202I101-L105 HydrophobicContact CG2-CD1 4.16Å; I101-L105 HydrophobicContact CG2-CG 4.33Å; I101-L105 WeakPolarHBondContact O-CG 3.5Å; I101-L105 PolarHBondContact O-N 2.9Å; L102-L105 PolarHBondContact O-N 3.16Å; M103-L105 PolarHBondContact O-N 3.25Å; L105-L112 HydrophobicContact CD2-CD1 4.45Å; L105-L195 HydrophobicContact CD1-CD2 3.79Å; L105-V199 HydrophobicContact CD2-CG2 4.03Å; L105-R202 WeakPolarHBondContact O-CD 3.05Å; L105-R202 PolarHBondContact O-NH1 3.46Å
106F73.9Confident73.3Confident96 Ų9659.2 Ų59.242%0.42131%0.311SS..Hα-helixtrans-78.7-33.4174.7-78.3-70.5000113.1L102 M103 D104 L198 R202L102-F106 HydrophobicContact CD1-CD2 4.27Å; L102-F106 HydrophobicContact CD1-CE2 3.7Å; L102-F106 HydrophobicContact CG-CD2 4.11Å; L102-F106 HydrophobicContact CG-CE2 3.82Å; L102-F106 WeakPolarHBondContact O-CD2 3.07Å; L102-F106 PolarHBondContact O-N 2.77Å; L102-F106 VanDerWaalsContact O-N 3.14Å; M103-F106 PolarHBondContact O-N 3.4Å; M103-F106 VanDerWaalsContact O-N 3.17Å; D104-F106 PolarHBondContact O-N 2.96Å; F106-L198 HydrophobicContact CZ-CD2 4.39Å; F106-R202 HydrophobicContact CD1-CB 4.12Å; F106-R202 HydrophobicContact CD1-CG 4.13Å; F106-R202 HydrophobicContact CE1-CB 4.25Å
107L70.4Confident72.3Confident144 Ų14455.8 Ų55.875%0.75430%0.296SS*.Hα-helixtrans-85.2-36.9-177.6-67.6172.6000112.8M103 D104M103-L107 WeakPolarHBondContact O-CB 3.28Å; M103-L107 VanDerWaalsContact O-CG 3.26Å; M103-L107 WeakPolarHBondContact O-CG 3.39Å; M103-L107 PolarHBondContact O-N 3.37Å; D104-L107 PolarHBondContact O-N 3.2Å; D104-L107 VanDerWaalsContact O-N 3.16Å
108N66.1Low71.9Confident65 Ų6562 Ų6235%0.34832%0.322SS..SBendtrans-101.8124.8-179-67.9-34.1000110.1D104 I110 R202D104-N108 WeakPolarHBondContact O-CA 3.36Å; D104-N108 VanDerWaalsContact O-CB 3.32Å; D104-N108 WeakPolarHBondContact O-CB 3.44Å; D104-N108 PolarHBondContact O-N 2.93Å; D104-N108 PolarHBondContact OD1-ND2 3.02Å; D104-N108 PolarHBondContact OD2-ND2 3.39Å; N108-I110 HydrophobicContact CB-CD1 4.25Å; N108-I110 HydrophobicContact CB-CG1 4.09Å; N108-I110 PolarHBondContact O-N 3.28Å; N108-R202 PolarHBondContact O-NH1 2.94Å
109S59.2Low71.3Confident29 Ų2966.1 Ų66.120%0.20334%0.337CS..  trans-73.534.9178.561.70000113.7P111 W216S109-P111 VanDerWaalsContact O-CD 3.25Å; S109-P111 WeakPolarHBondContact O-CD 3.21Å; S109-W216 PolarHBondContact OG-NE1 3.35Å
110I64.6Low70.6Confident27 Ų2762.9 Ų62.914%0.13832%0.316CS..  trans-66.5118.4179-58.5172.9000107.7Y64 N108Y64-I110 HydrophobicContact CD1-CG2 4.41Å; Y64-I110 HydrophobicContact CE1-CD1 3.87Å; Y64-I110 HydrophobicContact CE1-CG2 4.11Å; N108-I110 HydrophobicContact CB-CD1 4.25Å; N108-I110 HydrophobicContact CB-CG1 4.09Å; N108-I110 PolarHBondContact O-N 3.28Å
111P61.7Low70Confident38 Ų3858.9 Ų58.925%0.24730%0.295CS..  trans-71.2141.1178.229.7-35.3000109.5W61 S109 Y113W61-P111 WeakPolarHBondContact CZ2-O 3.3Å; W61-P111 PolarHBondContact NE1-O 2.92Å; S109-P111 VanDerWaalsContact O-CD 3.25Å; S109-P111 WeakPolarHBondContact O-CD 3.21Å; P111-Y113 HydrophobicContact CB-CE2 3.81Å; P111-Y113 HydrophobicContact CG-CE2 3.96Å
112L59.3Low69.8Low15 Ų1562.7 Ų62.78%0.07932%0.315CS..  trans-111.4144.3165.4-71.4176.7000107.7W61 T65 L105 L195 L196 V199W61-L112 HydrophobicContact CH2-CD2 4.44Å; W61-L112 HydrophobicContact CZ2-CD2 4.07Å; T65-L112 HydrophobicContact CG2-CD2 4.03Å; L105-L112 HydrophobicContact CD2-CD1 4.45Å; L112-L195 HydrophobicContact CD1-CB 4.09Å; L112-L196 HydrophobicContact CB-CD1 3.81Å; L112-L196 WeakPolarHBondContact O-CD1 2.96Å; L112-V199 HydrophobicContact CD1-CG2 3.76Å; L112-V199 HydrophobicContact CG-CG2 4.15Å
113Y60Low69.3Low114 Ų11462.8 Ų62.845%0.44732%0.318SS..  trans-127.2149.1178.9-56.4-99.9000109.9P111 C115 H116 H192P111-Y113 HydrophobicContact CB-CE2 3.81Å; P111-Y113 HydrophobicContact CG-CE2 3.96Å; Y113-C115 VanDerWaalsContact C-N 3.26Å; Y113-C115 PolarHBondContact O-N 3.49Å; Y113-H116 VanDerWaalsContact CB-ND1 3.32Å; Y113-H116 WeakPolarHBondContact CB-ND1 3.43Å; Y113-H116 AromaticContact CD2-CE1 3.29Å; Y113-H116 WeakPolarHBondContact CD2-CE1 3.32Å; Y113-H116 AromaticContact CD2-ND1 3.56Å; Y113-H116 AromaticContact CG-CE1 3.81Å; Y113-H116 AromaticContact CG-ND1 3.9Å; Y113-H116 PolarHBondContact N-ND1 3.13Å; Y113-H116 WeakPolarHBondContact O-CA 3.5Å; Y113-H116 WeakPolarHBondContact O-CB 3.47Å; Y113-H116 PolarHBondContact O-N 3.28Å; Y113-H116 PolarHBondContact O-ND1 3.48Å; Y113-H192 PolarHBondContact O-NE2 3.27Å
114I60.5Low68.6Low125 Ų12558.9 Ų58.964%0.64130%0.298SS*.G310 helixtrans-61.8-31.8-174.7-161164.4000113.6H116 A117 L196I114-H116 PolarHBondContact O-N 2.97Å; I114-H116 VanDerWaalsContact O-N 3.13Å; I114-A117 VanDerWaalsContact O-CB 3.25Å; I114-A117 WeakPolarHBondContact O-CB 3.17Å; I114-A117 PolarHBondContact O-N 3Å; I114-L196 HydrophobicContact CB-CD2 4Å; I114-L196 HydrophobicContact CG1-CD2 4.22Å
115C68.9Low68.4Low63 Ų6360.6 Ų60.643%0.42631%0.307SS..G310 helixtrans-61.7-21.2175.2580000112.1Y113 A117 F118Y113-C115 VanDerWaalsContact C-N 3.26Å; Y113-C115 PolarHBondContact O-N 3.49Å; C115-A117 PolarHBondContact O-N 2.92Å; C115-F118 WeakPolarHBondContact O-CD2 3.24Å; C115-F118 PolarHBondContact O-N 2.91Å
116H71Confident68.6Low22 Ų2265.1 Ų65.110%0.10233%0.33CS..G310 helixtrans-77.6-5178-53.2140.9000112.8W61 T65 Y113 I114 F118 Y119 P120 H192W61-H116 AromaticContact CE3-CE1 3.97Å; W61-H116 HydrophobicContact CH2-CB 3.84Å; W61-H116 AromaticContact CH2-CD2 3.83Å; W61-H116 AromaticContact CH2-CE1 3.04Å; W61-H116 WeakPolarHBondContact CH2-CE1 3.43Å; W61-H116 AromaticContact CH2-CG 3.22Å; W61-H116 AromaticContact CH2-ND1 2.75Å; W61-H116 WeakPolarHBondContact CH2-ND1 3.36Å; W61-H116 AromaticContact CH2-NE2 3.71Å; W61-H116 AromaticContact CZ2-CE1 3.8Å; W61-H116 AromaticContact CZ2-ND1 3.61Å; W61-H116 HydrophobicContact CZ3-CB 4.18Å; W61-H116 AromaticContact CZ3-CD2 3.48Å; W61-H116 VanDerWaalsContact CZ3-CD2 3.48Å; W61-H116 WeakPolarHBondContact CZ3-CD2 3.28Å; W61-H116 AromaticContact CZ3-CE1 3.05Å; W61-H116 WeakPolarHBondContact CZ3-CE1 3.37Å; W61-H116 AromaticContact CZ3-CG 3.38Å; W61-H116 AromaticContact CZ3-ND1 3.2Å; W61-H116 WeakPolarHBondContact CZ3-ND1 3.39Å; W61-H116 AromaticContact CZ3-NE2 3.25Å; W61-H116 VanDerWaalsContact CZ3-NE2 3.25Å; W61-H116 WeakPolarHBondContact CZ3-NE2 3.31Å; T65-H116 HydrophobicContact CG2-CB 4.09Å; Y113-H116 VanDerWaalsContact CB-ND1 3.32Å; Y113-H116 WeakPolarHBondContact CB-ND1 3.43Å; Y113-H116 AromaticContact CD2-CE1 3.29Å; Y113-H116 WeakPolarHBondContact CD2-CE1 3.32Å; Y113-H116 AromaticContact CD2-ND1 3.56Å; Y113-H116 AromaticContact CG-CE1 3.81Å; Y113-H116 AromaticContact CG-ND1 3.9Å; Y113-H116 PolarHBondContact N-ND1 3.13Å; Y113-H116 WeakPolarHBondContact O-CA 3.5Å; Y113-H116 WeakPolarHBondContact O-CB 3.47Å; Y113-H116 PolarHBondContact O-N 3.28Å; Y113-H116 PolarHBondContact O-ND1 3.48Å; I114-H116 PolarHBondContact O-N 2.97Å; I114-H116 VanDerWaalsContact O-N 3.13Å; H116-F118 VanDerWaalsContact C-N 3.25Å; H116-F118 PolarHBondContact O-N 2.92Å; H116-Y119 HydrophobicContact CB-CD2 4.02Å; H116-Y119 HydrophobicContact CB-CE2 4.45Å; H116-Y119 AromaticContact CD2-CD2 3.57Å; H116-Y119 AromaticContact CD2-CE2 3.11Å; H116-Y119 WeakPolarHBondContact CD2-CE2 3.35Å; H116-Y119 AromaticContact CD2-CZ 3.93Å; H116-Y119 AromaticContact NE2-CE2 3.81Å; H116-Y119 PolarHBondContact O-N 2.98Å; H116-P120 WeakPolarHBondContact O-CD 3.45Å; H116-H192 VanDerWaalsContact C-CE1 3.47Å
117A65.5Low68.5Low15 Ų1563 Ų6312%0.12432%0.32CS..G310 helixtrans-63.5-31.517000000112.3I114 C115 Y119 P120 V121 H192I114-A117 VanDerWaalsContact O-CB 3.25Å; I114-A117 WeakPolarHBondContact O-CB 3.17Å; I114-A117 PolarHBondContact O-N 3Å; C115-A117 PolarHBondContact O-N 2.92Å; A117-Y119 VanDerWaalsContact C-N 3.28Å; A117-Y119 PolarHBondContact O-N 3.42Å; A117-P120 WeakPolarHBondContact O-CD 3.21Å; A117-V121 WeakPolarHBondContact O-CG2 3.34Å; A117-H192 HydrophobicContact CB-CB 4.42Å; A117-H192 PolarHBondContact N-NE2 2.93Å
118F72.6Confident68.5Low143 Ų14357.6 Ų57.663%0.62729%0.291SS*.Hα-helixtrans-67.8-29.3178.5-65.1-69.1000112.5C115 H116 V121 I122C115-F118 WeakPolarHBondContact O-CD2 3.24Å; C115-F118 PolarHBondContact O-N 2.91Å; H116-F118 VanDerWaalsContact C-N 3.25Å; H116-F118 PolarHBondContact O-N 2.92Å; F118-V121 PolarHBondContact O-N 3.45Å; F118-I122 VanDerWaalsContact O-CG1 3.28Å; F118-I122 WeakPolarHBondContact O-CG1 3.32Å; F118-I122 PolarHBondContact O-N 2.98Å
119Y71.3Confident68.7Low89 Ų8957.3 Ų57.335%0.34930%0.298SS..Hα-helixtrans-69.3-51.5-175.3-56.3-28000113.1L62 H116 A117 V121 I122 V123L62-Y119 VanDerWaalsContact CD1-CB 3.47Å; L62-Y119 HydrophobicContact CD1-CD1 3.83Å; L62-Y119 HydrophobicContact CD1-CD2 3.07Å; L62-Y119 HydrophobicContact CD1-CE1 4.29Å; L62-Y119 HydrophobicContact CD1-CE2 3.53Å; L62-Y119 HydrophobicContact CD1-CG 3.19Å; L62-Y119 HydrophobicContact CG-CD2 4.45Å; H116-Y119 HydrophobicContact CB-CD2 4.02Å; H116-Y119 HydrophobicContact CB-CE2 4.45Å; H116-Y119 AromaticContact CD2-CD2 3.57Å; H116-Y119 AromaticContact CD2-CE2 3.11Å; H116-Y119 WeakPolarHBondContact CD2-CE2 3.35Å; H116-Y119 AromaticContact CD2-CZ 3.93Å; H116-Y119 AromaticContact NE2-CE2 3.81Å; H116-Y119 PolarHBondContact O-N 2.98Å; A117-Y119 VanDerWaalsContact C-N 3.28Å; A117-Y119 PolarHBondContact O-N 3.42Å; Y119-V121 VanDerWaalsContact C-N 3.25Å; Y119-V121 PolarHBondContact O-N 2.93Å; Y119-I122 PolarHBondContact O-N 2.89Å; Y119-V123 WeakPolarHBondContact O-CG2 3.39Å; Y119-V123 PolarHBondContact O-N 3.5Å
120P69.6Low69.5Low1 Ų159.9 Ų59.91%0.00631%0.312CS..Hα-helixtrans-53.1-43.3169.6-25.532.3000111.9T65 N69 H116 A117 I122 V123 H124T65-P120 HydrophobicContact CG2-CG 4.5Å; N69-P120 HydrophobicContact CB-CB 3.76Å; N69-P120 HydrophobicContact CB-CG 3.71Å; H116-P120 WeakPolarHBondContact O-CD 3.45Å; A117-P120 WeakPolarHBondContact O-CD 3.21Å; P120-I122 PolarHBondContact O-N 2.88Å; P120-V123 PolarHBondContact O-N 2.9Å; P120-H124 WeakPolarHBondContact O-CB 3.32Å; P120-H124 PolarHBondContact O-N 3.28Å; P120-H124 PolarHBondContact O-ND1 2.96Å
121V72.2Confident69.7Low23 Ų2358.7 Ų58.714%0.13931%0.307CS..Hα-helixtrans-59.7-49.4-179.8173.90000111A117 F118 Y119 V123 H124 L125 I185 I189A117-V121 WeakPolarHBondContact O-CG2 3.34Å; F118-V121 PolarHBondContact O-N 3.45Å; Y119-V121 VanDerWaalsContact C-N 3.25Å; Y119-V121 PolarHBondContact O-N 2.93Å; V121-V123 VanDerWaalsContact C-N 3.35Å; V121-V123 PolarHBondContact O-N 3.47Å; V121-H124 PolarHBondContact O-N 3.22Å; V121-L125 HydrophobicContact CG1-CD1 4.09Å; V121-L125 WeakPolarHBondContact O-CB 3.48Å; V121-L125 VanDerWaalsContact O-CG 3.3Å; V121-L125 WeakPolarHBondContact O-CG 3.39Å; V121-L125 PolarHBondContact O-N 3.23Å; V121-I185 HydrophobicContact CG1-CG1 4.35Å; V121-I185 HydrophobicContact CG1-CG2 3.99Å; V121-I185 HydrophobicContact CG2-CG2 4.22Å; V121-I189 HydrophobicContact CG2-CD1 4.13Å; V121-I189 HydrophobicContact CG2-CG1 3.66Å
122I78.1Confident69.9Low89 Ų8959.4 Ų59.446%0.45631%0.31SS..Hα-helixtrans-61.5-44178.2-67.2164.7000110.8F118 Y119 P120 L125 I126F118-I122 VanDerWaalsContact O-CG1 3.28Å; F118-I122 WeakPolarHBondContact O-CG1 3.32Å; F118-I122 PolarHBondContact O-N 2.98Å; Y119-I122 PolarHBondContact O-N 2.89Å; P120-I122 PolarHBondContact O-N 2.88Å; I122-L125 WeakPolarHBondContact O-CB 3.24Å; I122-L125 PolarHBondContact O-N 3.49Å; I122-I126 HydrophobicContact CG2-CD1 3.79Å; I122-I126 HydrophobicContact CG2-CG1 4.43Å; I122-I126 VanDerWaalsContact O-CG1 3.3Å; I122-I126 WeakPolarHBondContact O-CG1 3.16Å; I122-I126 PolarHBondContact O-N 3.48Å
123V73.4Confident70.5Confident62 Ų6263.4 Ų63.438%0.37633%0.331SS..Hα-helixtrans-65.1-40.6178.61720000111.7C66 Y119 P120 V121 L125 I126 Y127C66-V123 HydrophobicContact CB-CB 4.35Å; C66-V123 HydrophobicContact CB-CG1 4.34Å; C66-V123 HydrophobicContact CB-CG2 4.13Å; Y119-V123 WeakPolarHBondContact O-CG2 3.39Å; Y119-V123 PolarHBondContact O-N 3.5Å; P120-V123 PolarHBondContact O-N 2.9Å; V121-V123 VanDerWaalsContact C-N 3.35Å; V121-V123 PolarHBondContact O-N 3.47Å; V123-L125 VanDerWaalsContact C-N 3.32Å; V123-L125 PolarHBondContact O-N 3.16Å; V123-I126 PolarHBondContact O-N 3.38Å; V123-Y127 VanDerWaalsContact O-CB 3.31Å; V123-Y127 WeakPolarHBondContact O-CB 3.14Å; V123-Y127 PolarHBondContact O-N 2.81Å
124H69Low70.9Confident39 Ų3960.1 Ų60.118%0.18133%0.325CS..Hα-helixtrans-63.2-40174.9-78.275.1000111.1P120 V121 L128P120-H124 WeakPolarHBondContact O-CB 3.32Å; P120-H124 PolarHBondContact O-N 3.28Å; P120-H124 PolarHBondContact O-ND1 2.96Å; V121-H124 PolarHBondContact O-N 3.22Å; H124-L128 VanDerWaalsContact O-CB 3.31Å; H124-L128 WeakPolarHBondContact O-CB 3.41Å; H124-L128 PolarHBondContact O-N 2.85Å
125L73.6Confident71Confident68 Ų6854.2 Ų54.236%0.35630%0.295SS..Hα-helixtrans-63.6-45.2175.2-74.1171.7000112.1V121 I122 V123 L128 A129 L181 I185V121-L125 HydrophobicContact CG1-CD1 4.09Å; V121-L125 WeakPolarHBondContact O-CB 3.48Å; V121-L125 VanDerWaalsContact O-CG 3.3Å; V121-L125 WeakPolarHBondContact O-CG 3.39Å; V121-L125 PolarHBondContact O-N 3.23Å; I122-L125 WeakPolarHBondContact O-CB 3.24Å; I122-L125 PolarHBondContact O-N 3.49Å; V123-L125 VanDerWaalsContact C-N 3.32Å; V123-L125 PolarHBondContact O-N 3.16Å; L125-L128 PolarHBondContact O-N 3.31Å; L125-A129 WeakPolarHBondContact O-CB 3.38Å; L125-A129 PolarHBondContact O-N 3.36Å; L125-L181 HydrophobicContact CD2-CD1 3.44Å; L125-L181 VanDerWaalsContact CD2-CD1 3.44Å; L125-L181 HydrophobicContact CD2-CD2 4.28Å; L125-L181 HydrophobicContact CD2-CG 4.32Å; L125-I185 HydrophobicContact CD2-CD1 4.14Å
126I80.2Confident70.8Confident100 Ų10057.7 Ų57.751%0.51330%0.3SS..Hα-helixtrans-63.3-47.7177.1-68.2166.4000110.2I122 V123 L128 A129 V130I122-I126 HydrophobicContact CG2-CD1 3.79Å; I122-I126 HydrophobicContact CG2-CG1 4.43Å; I122-I126 VanDerWaalsContact O-CG1 3.3Å; I122-I126 WeakPolarHBondContact O-CG1 3.16Å; I122-I126 PolarHBondContact O-N 3.48Å; V123-I126 PolarHBondContact O-N 3.38Å; I126-L128 VanDerWaalsContact C-N 3.35Å; I126-L128 PolarHBondContact O-N 2.71Å; I126-A129 WeakPolarHBondContact O-CB 3.29Å; I126-A129 PolarHBondContact O-N 2.93Å; I126-V130 HydrophobicContact CG2-CG2 4.3Å; I126-V130 WeakPolarHBondContact O-CG2 3.28Å; I126-V130 PolarHBondContact O-N 2.94Å
127Y71.9Confident70.6Confident53 Ų5360.5 Ų60.521%0.20832%0.315CS..Hα-helixtrans-57.5-49.4177171.7-97.8000110.6L18 A20 V123 A129 V130 V131L18-Y127 PolarHBondContact O-OH 3.4Å; A20-Y127 HydrophobicContact CB-CE1 3.91Å; A20-Y127 HydrophobicContact CB-CE2 4.46Å; A20-Y127 WeakPolarHBondContact CB-OH 3.34Å; A20-Y127 PolarHBondContact N-OH 2.88Å; V123-Y127 VanDerWaalsContact O-CB 3.31Å; V123-Y127 WeakPolarHBondContact O-CB 3.14Å; V123-Y127 PolarHBondContact O-N 2.81Å; Y127-A129 VanDerWaalsContact C-N 3.29Å; Y127-A129 PolarHBondContact O-N 3.09Å; Y127-V130 PolarHBondContact O-N 2.79Å; Y127-V131 HydrophobicContact CD1-CG2 4.25Å; Y127-V131 HydrophobicContact CD2-CG2 4.02Å; Y127-V131 HydrophobicContact CE1-CG2 3.86Å; Y127-V131 HydrophobicContact CE2-CG2 3.6Å; Y127-V131 HydrophobicContact CG-CG2 4.32Å; Y127-V131 WeakPolarHBondContact O-CB 3.34Å; Y127-V131 VanDerWaalsContact O-CG2 3.24Å; Y127-V131 WeakPolarHBondContact O-CG2 3.24Å; Y127-V131 PolarHBondContact O-N 3.38Å
128L69.2Low70.5Confident29 Ų2960.4 Ų60.415%0.15231%0.314CS..Hα-helixtrans-60.6-39.3177.9-169.273.2000111.8H124 L125 I126 T132 L163 L181H124-L128 VanDerWaalsContact O-CB 3.31Å; H124-L128 WeakPolarHBondContact O-CB 3.41Å; H124-L128 PolarHBondContact O-N 2.85Å; L125-L128 PolarHBondContact O-N 3.31Å; I126-L128 VanDerWaalsContact C-N 3.35Å; I126-L128 PolarHBondContact O-N 2.71Å; L128-T132 WeakPolarHBondContact O-CB 3.47Å; L128-T132 PolarHBondContact O-N 3.36Å; L128-T132 PolarHBondContact O-OG1 2.96Å; L128-L163 HydrophobicContact CD1-CD2 4.1Å; L128-L181 HydrophobicContact CD2-CB 4.21Å; L128-L181 HydrophobicContact CD2-CD1 3.34Å; L128-L181 HydrophobicContact CD2-CG 4.24Å
129A71.7Confident69.7Low60 Ų6057.9 Ų57.950%0.49630%0.301SS..Hα-helixtrans-64.6-47.2176.500000112.1L125 I126 Y127 V131 T132 L133L125-A129 WeakPolarHBondContact O-CB 3.38Å; L125-A129 PolarHBondContact O-N 3.36Å; I126-A129 WeakPolarHBondContact O-CB 3.29Å; I126-A129 PolarHBondContact O-N 2.93Å; Y127-A129 VanDerWaalsContact C-N 3.29Å; Y127-A129 PolarHBondContact O-N 3.09Å; A129-V131 PolarHBondContact O-N 2.92Å; A129-T132 PolarHBondContact O-N 2.81Å; A129-L133 VanDerWaalsContact O-CB 3.25Å; A129-L133 WeakPolarHBondContact O-CB 3.37Å; A129-L133 PolarHBondContact O-N 3.3Å
130V75.8Confident69.4Low82 Ų8257.6 Ų57.650%0.49731%0.309SS..Hα-helixtrans-62-44.6177.8170.40000110.8I126 Y127 L133 S134I126-V130 HydrophobicContact CG2-CG2 4.3Å; I126-V130 WeakPolarHBondContact O-CG2 3.28Å; I126-V130 PolarHBondContact O-N 2.94Å; Y127-V130 PolarHBondContact O-N 2.79Å; V130-L133 PolarHBondContact O-N 3.39Å; V130-S134 WeakPolarHBondContact O-CB 3.25Å; V130-S134 PolarHBondContact O-N 2.87Å; V130-S134 PolarHBondContact O-OG 2.85Å
131V67.4Low69.2Low3 Ų362.8 Ų62.82%0.01834%0.335CS..Hα-helixtrans-64.4-49.6177.8168.80000110.6L18 Y127 A129 L133 S134 L135 V156L18-V131 HydrophobicContact CD2-CB 3.98Å; L18-V131 HydrophobicContact CD2-CG1 3.59Å; L18-V131 HydrophobicContact CD2-CG2 3.56Å; Y127-V131 HydrophobicContact CD1-CG2 4.25Å; Y127-V131 HydrophobicContact CD2-CG2 4.02Å; Y127-V131 HydrophobicContact CE1-CG2 3.86Å; Y127-V131 HydrophobicContact CE2-CG2 3.6Å; Y127-V131 HydrophobicContact CG-CG2 4.32Å; Y127-V131 WeakPolarHBondContact O-CB 3.34Å; Y127-V131 VanDerWaalsContact O-CG2 3.24Å; Y127-V131 WeakPolarHBondContact O-CG2 3.24Å; Y127-V131 PolarHBondContact O-N 3.38Å; A129-V131 PolarHBondContact O-N 2.92Å; V131-L133 VanDerWaalsContact C-N 3.28Å; V131-L133 PolarHBondContact O-N 3.35Å; V131-S134 WeakPolarHBondContact O-CB 3.44Å; V131-S134 PolarHBondContact O-N 3.39Å; V131-S134 VanDerWaalsContact O-N 3.11Å; V131-L135 HydrophobicContact CG1-CD1 4.44Å; V131-L135 HydrophobicContact CG1-CG 4.34Å; V131-L135 WeakPolarHBondContact O-CG 3.31Å; V131-L135 PolarHBondContact O-N 2.85Å; V131-V156 HydrophobicContact CB-CG2 4.45Å; V131-V156 HydrophobicContact CG1-CB 3.81Å; V131-V156 HydrophobicContact CG1-CG1 3.67Å; V131-V156 HydrophobicContact CG1-CG2 3.14Å
132T66.9Low68.5Low53 Ų5364 Ų6433%0.32535%0.352SS..Hα-helixtrans-58.4-42.3178.8-59.20000111.2L128 A129 L135 Y136 F171L128-T132 WeakPolarHBondContact O-CB 3.47Å; L128-T132 PolarHBondContact O-N 3.36Å; L128-T132 PolarHBondContact O-OG1 2.96Å; A129-T132 PolarHBondContact O-N 2.81Å; T132-L135 PolarHBondContact O-N 3.27Å; T132-Y136 WeakPolarHBondContact O-CB 3.43Å; T132-Y136 PolarHBondContact O-N 2.86Å; T132-F171 HydrophobicContact CG2-CE1 4Å; T132-F171 HydrophobicContact CG2-CZ 4.48Å
133L71.3Confident67.4Low98 Ų9862.9 Ų62.951%0.51335%0.345SS..Hα-helixtrans-64.3-44.6175.2179.364.7000111.8A129 V130 V131 L135 Y136 L137A129-L133 VanDerWaalsContact O-CB 3.25Å; A129-L133 WeakPolarHBondContact O-CB 3.37Å; A129-L133 PolarHBondContact O-N 3.3Å; V130-L133 PolarHBondContact O-N 3.39Å; V131-L133 VanDerWaalsContact C-N 3.28Å; V131-L133 PolarHBondContact O-N 3.35Å; L133-L135 VanDerWaalsContact C-N 3.32Å; L133-L135 PolarHBondContact O-N 3.34Å; L133-Y136 PolarHBondContact O-N 3.37Å; L133-L137 HydrophobicContact CD1-CD1 4.21Å; L133-L137 HydrophobicContact CD1-CG 4.24Å; L133-L137 HydrophobicContact CG-CD1 4Å; L133-L137 HydrophobicContact CG-CG 4.44Å; L133-L137 WeakPolarHBondContact O-CB 3.35Å; L133-L137 VanDerWaalsContact O-CG 3.31Å; L133-L137 WeakPolarHBondContact O-CG 3.3Å; L133-L137 PolarHBondContact O-N 3.01Å
134S68.4Low66.5Low45 Ų4560.6 Ų60.632%0.31533%0.331SS..Hα-helixtrans-61.9-42.4178.6-59.80000111.2V130 V131 L137 A138V130-S134 WeakPolarHBondContact O-CB 3.25Å; V130-S134 PolarHBondContact O-N 2.87Å; V130-S134 PolarHBondContact O-OG 2.85Å; V131-S134 WeakPolarHBondContact O-CB 3.44Å; V131-S134 PolarHBondContact O-N 3.39Å; V131-S134 VanDerWaalsContact O-N 3.11Å; S134-L137 PolarHBondContact O-N 2.87Å; S134-A138 WeakPolarHBondContact O-CB 3.31Å; S134-A138 PolarHBondContact O-N 3.32Å
135L63.4Low65.5Low2 Ų263 Ų631%0.0135%0.345CS..Hα-helixtrans-60.7-52.4171.6-67.9-167.1000110.8L18 V131 T132 L133 L137 A138 Y139 P154 V156 Y168L18-L135 HydrophobicContact CD1-CD2 3.69Å; V131-L135 HydrophobicContact CG1-CD1 4.44Å; V131-L135 HydrophobicContact CG1-CG 4.34Å; V131-L135 WeakPolarHBondContact O-CG 3.31Å; V131-L135 PolarHBondContact O-N 2.85Å; T132-L135 PolarHBondContact O-N 3.27Å; L133-L135 VanDerWaalsContact C-N 3.32Å; L133-L135 PolarHBondContact O-N 3.34Å; L135-L137 VanDerWaalsContact C-N 3.28Å; L135-L137 PolarHBondContact O-N 3.48Å; L135-A138 PolarHBondContact O-N 3.48Å; L135-Y139 PolarHBondContact O-N 2.97Å; L135-P154 WeakPolarHBondContact CD1-O 3.28Å; L135-P154 HydrophobicContact CD2-CB 3.49Å; L135-P154 VanDerWaalsContact CD2-CB 3.49Å; L135-P154 HydrophobicContact CD2-CG 3.64Å; L135-P154 WeakPolarHBondContact CD2-O 3.43Å; L135-V156 HydrophobicContact CD1-CG2 3.43Å; L135-V156 VanDerWaalsContact CD1-CG2 3.43Å; L135-V156 HydrophobicContact CG-CG2 4.4Å; L135-Y168 WeakPolarHBondContact CA-OH 3.5Å; L135-Y168 HydrophobicContact CB-CE1 4.13Å; L135-Y168 WeakPolarHBondContact CB-OH 3.3Å; L135-Y168 VanDerWaalsContact O-CE1 3.29Å; L135-Y168 WeakPolarHBondContact O-CE1 3.33Å; L135-Y168 VanDerWaalsContact O-CZ 3.28Å; L135-Y168 PolarHBondContact O-OH 3.48Å
136Y63.6Low64.3Low135 Ų13566.5 Ų66.553%0.52936%0.357SS..Hα-helixtrans-56.3-42.3180178-98.8000112.7T132 L133 Y139 T140T132-Y136 WeakPolarHBondContact O-CB 3.43Å; T132-Y136 PolarHBondContact O-N 2.86Å; L133-Y136 PolarHBondContact O-N 3.37Å; Y136-Y139 PolarHBondContact O-N 3.1Å; Y136-T140 WeakPolarHBondContact O-CB 3.26Å; Y136-T140 PolarHBondContact O-N 2.71Å; Y136-T140 PolarHBondContact O-OG1 3.42Å
137L67.2Low62.5Low81 Ų8167.2 Ų67.242%0.42437%0.366SS..Hα-helixtrans-66.3-45.8176.5-71.9171.4000111.9L133 S134 L135 Y139 T140 I141L133-L137 HydrophobicContact CD1-CD1 4.21Å; L133-L137 HydrophobicContact CD1-CG 4.24Å; L133-L137 HydrophobicContact CG-CD1 4Å; L133-L137 HydrophobicContact CG-CG 4.44Å; L133-L137 WeakPolarHBondContact O-CB 3.35Å; L133-L137 VanDerWaalsContact O-CG 3.31Å; L133-L137 WeakPolarHBondContact O-CG 3.3Å; L133-L137 PolarHBondContact O-N 3.01Å; S134-L137 PolarHBondContact O-N 2.87Å; L135-L137 VanDerWaalsContact C-N 3.28Å; L135-L137 PolarHBondContact O-N 3.48Å; L137-Y139 PolarHBondContact O-N 3.06Å; L137-T140 PolarHBondContact O-N 2.9Å; L137-I141 WeakPolarHBondContact O-CB 3.45Å; L137-I141 WeakPolarHBondContact O-CD1 3.29Å; L137-I141 WeakPolarHBondContact O-CG1 3.46Å; L137-I141 PolarHBondContact O-N 2.91Å
138A63.1Low61.1Low13 Ų1368.2 Ų68.211%0.10738%0.375CS..Hα-helixtrans-60.4-35.5177.700000112.2S134 L135 H143 L144S134-A138 WeakPolarHBondContact O-CB 3.31Å; S134-A138 PolarHBondContact O-N 3.32Å; L135-A138 PolarHBondContact O-N 3.48Å; A138-H143 PolarHBondContact O-N 3.37Å; A138-L144 HydrophobicContact CB-CD1 3.54Å; A138-L144 HydrophobicContact CB-CG 4.25Å
139Y57.2Low59.8Low91 Ų9172.5 Ų72.536%0.35740%0.404SS..Hα-helixtrans-69.4-44.9173.2172.6-97000112.9L135 Y136 L137 I141 G142 K146 Y168L135-Y139 PolarHBondContact O-N 2.97Å; Y136-Y139 PolarHBondContact O-N 3.1Å; L137-Y139 PolarHBondContact O-N 3.06Å; Y139-I141 VanDerWaalsContact C-N 3.29Å; Y139-I141 PolarHBondContact O-N 3.23Å; Y139-G142 PolarHBondContact O-N 3.36Å; Y139-G142 VanDerWaalsContact O-N 3.15Å; Y139-K146 HydrophobicContact CE2-CG 4.41Å; Y139-Y168 HydrophobicContact CD1-CD1 4.31Å; Y139-Y168 AromaticContact CD2-CD1 3.64Å; Y139-Y168 HydrophobicContact CD2-CD1 3.64Å; Y139-Y168 AromaticContact CD2-CD2 3.87Å; Y139-Y168 HydrophobicContact CD2-CD2 3.87Å; Y139-Y168 HydrophobicContact CD2-CE1 4.14Å; Y139-Y168 HydrophobicContact CD2-CE2 4.35Å; Y139-Y168 AromaticContact CD2-CG 3.53Å; Y139-Y168 HydrophobicContact CD2-CG 3.53Å; Y139-Y168 HydrophobicContact CE2-CD1 4.41Å; Y139-Y168 HydrophobicContact CE2-CG 4.11Å; Y139-Y168 AromaticContact CG-CD1 3.59Å; Y139-Y168 HydrophobicContact CG-CD1 3.59Å; Y139-Y168 HydrophobicContact CG-CD2 4.49Å; Y139-Y168 AromaticContact CG-CE1 3.8Å; Y139-Y168 HydrophobicContact CG-CE1 3.8Å; Y139-Y168 AromaticContact CG-CG 4Å; Y139-Y168 HydrophobicContact CG-CG 4Å
140T63.5Low58.2Low82 Ų8277.1 Ų77.150%0.50341%0.413SS..Hα-helixtrans-64.7-35.6-179.2-560000111.6Y136 L137 G142Y136-T140 WeakPolarHBondContact O-CB 3.26Å; Y136-T140 PolarHBondContact O-N 2.71Å; Y136-T140 PolarHBondContact O-OG1 3.42Å; L137-T140 PolarHBondContact O-N 2.9Å; T140-G142 PolarHBondContact O-N 3.25Å
141I67.1Low56.8Low110 Ų11077.3 Ų77.356%0.56442%0.416SS*.THydrogen-bonded Turntrans-77.4-6.3179.7-63.6164.3000112L137 Y139 H143L137-I141 WeakPolarHBondContact O-CB 3.45Å; L137-I141 WeakPolarHBondContact O-CD1 3.29Å; L137-I141 WeakPolarHBondContact O-CG1 3.46Å; L137-I141 PolarHBondContact O-N 2.91Å; Y139-I141 VanDerWaalsContact C-N 3.29Å; Y139-I141 PolarHBondContact O-N 3.23Å; I141-H143 VanDerWaalsContact C-N 3.31Å; I141-H143 PolarHBondContact O-N 3.3Å
142G56.2Low55.4Low48 Ų4880.1 Ų80.150%0.49544%0.436SS..THydrogen-bonded Turntrans74.319.4174.600000114.2Y139 T140 L144Y139-G142 PolarHBondContact O-N 3.36Å; Y139-G142 VanDerWaalsContact O-N 3.15Å; T140-G142 PolarHBondContact O-N 3.25Å; G142-L144 PolarHBondContact O-N 3.49Å
143H55.4Low54.4Low67 Ų6779.3 Ų79.331%0.3143%0.429SS..  trans-873178.8-156.652.6000113.2L5 F10 A138 I141L5-H143 PolarHBondContact O-CE1 2.78Å; L5-H143 PolarHBondContact O-ND1 2.91Å; L5-H143 PolarHBondContact O-NE2 3.49Å; F10-H143 AromaticContact CD1-CD2 3.29Å; F10-H143 WeakPolarHBondContact CD1-CD2 3.29Å; F10-H143 AromaticContact CD1-NE2 3.48Å; F10-H143 WeakPolarHBondContact CD1-NE2 3.49Å; F10-H143 AromaticContact CE1-CD2 3.47Å; F10-H143 VanDerWaalsContact CE1-CD2 3.47Å; F10-H143 WeakPolarHBondContact CE1-CD2 3.26Å; F10-H143 AromaticContact CG-CD2 3.92Å; F10-H143 AromaticContact CG-NE2 3.66Å; A138-H143 PolarHBondContact O-N 3.37Å; I141-H143 VanDerWaalsContact C-N 3.31Å; I141-H143 PolarHBondContact O-N 3.3Å
144L53.7Low53.1Low13 Ų1375.3 Ų75.37%0.06841%0.41CS..SBendtrans-121.5113.8-179.6-63.6172.1000107.1A138 G142 K146 P154 Y168A138-L144 HydrophobicContact CB-CD1 3.54Å; A138-L144 HydrophobicContact CB-CG 4.25Å; G142-L144 PolarHBondContact O-N 3.49Å; L144-K146 PolarHBondContact O-N 3.08Å; L144-K146 VanDerWaalsContact O-N 3.08Å; L144-P154 VanDerWaalsContact CD1-CD 3.48Å; L144-P154 HydrophobicContact CD1-CG 3.28Å; L144-P154 HydrophobicContact CD2-CG 3.53Å; L144-P154 HydrophobicContact CG-CG 4Å; L144-Y168 HydrophobicContact CD1-CE2 3.6Å; L144-Y168 WeakPolarHBondContact CD1-OH 3.5Å
145D48.4Very low52.2Low89 Ų8973.8 Ų73.848%0.47640%0.398SS..  trans-63.2114.5-173.5-167.1-18.6000109.3T147 I148D145-T147 PolarHBondContact O-N 2.88Å; D145-T147 VanDerWaalsContact O-N 3.15Å; D145-T147 PolarHBondContact OD1-N 2.84Å; D145-T147 PolarHBondContact OD1-OG1 3.47Å; D145-I148 HydrophobicContact CB-CD1 3.48Å; D145-I148 VanDerWaalsContact CB-CD1 3.48Å; D145-I148 HydrophobicContact CB-CG1 3.67Å; D145-I148 WeakPolarHBondContact OD2-CD1 3.02Å; D145-I148 WeakPolarHBondContact OD2-CG1 3.5Å
146K48.7Very low51.5Low143 Ų14373.8 Ų73.862%0.62240%0.399SS*.THydrogen-bonded Turntrans-70.4-5.6-177.6-62.4179-179.1175.40112.2Y139 L144Y139-K146 HydrophobicContact CE2-CG 4.41Å; L144-K146 PolarHBondContact O-N 3.08Å; L144-K146 VanDerWaalsContact O-N 3.08Å
147T41.7Very low50.9Low114 Ų11468.6 Ų68.670%0.69938%0.38SS*.THydrogen-bonded Turntrans-120.2-0-166.866.90000114.9D145 P149D145-T147 PolarHBondContact O-N 2.88Å; D145-T147 VanDerWaalsContact O-N 3.15Å; D145-T147 PolarHBondContact OD1-N 2.84Å; D145-T147 PolarHBondContact OD1-OG1 3.47Å; T147-P149 VanDerWaalsContact O-CD 3.31Å; T147-P149 WeakPolarHBondContact O-CD 3.45Å
148I43.5Very low50.1Low75 Ų7566.4 Ų66.439%0.38537%0.368SS..  trans-83118.8179.1-54.5175.2000109.2D145 F150 S152D145-I148 HydrophobicContact CB-CD1 3.48Å; D145-I148 VanDerWaalsContact CB-CD1 3.48Å; D145-I148 HydrophobicContact CB-CG1 3.67Å; D145-I148 WeakPolarHBondContact OD2-CD1 3.02Å; D145-I148 WeakPolarHBondContact OD2-CG1 3.5Å; I148-F150 HydrophobicContact CG2-CB 4.16Å; I148-F150 PolarHBondContact O-N 2.99Å; I148-S152 VanDerWaalsContact CD1-OG 3.25Å; I148-S152 WeakPolarHBondContact CD1-OG 3.44Å
149P42.2Very low49.3Very low119 Ų11965.9 Ų65.977%0.77336%0.364SS*.SBendtrans-73.29.7179.429.1-33.5000114.1T147T147-P149 VanDerWaalsContact O-CD 3.31Å; T147-P149 WeakPolarHBondContact O-CD 3.45Å
150F38.4Very low48.6Very low157 Ų15762.5 Ų62.569%0.68936%0.357SS*.SBendtrans-125.6147.9179.4-70.4-81.9000108.7I148 S152I148-F150 HydrophobicContact CG2-CB 4.16Å; I148-F150 PolarHBondContact O-N 2.99Å; F150-S152 PolarHBondContact O-N 3.28Å
151P44.8Very low47.7Very low86 Ų8662.6 Ų62.656%0.55835%0.351SS*.  trans-7773.5-173.933.5-34000110.3N153P151-N153 PolarHBondContact O-N 3.48Å
152S39.6Very low47Very low62 Ų6258.9 Ų58.943%0.43434%0.337SS..  trans-8115.9155.150.70000111.2I148 F150I148-S152 VanDerWaalsContact CD1-OG 3.25Å; I148-S152 WeakPolarHBondContact CD1-OG 3.44Å; F150-S152 PolarHBondContact O-N 3.28Å
153N44.6Very low46.8Very low35 Ų3558.3 Ų58.319%0.18732%0.323CS..SBendtrans-77.4140.3173.9-105.3-36.8000109.5P151 T155 G167 Y168P151-N153 PolarHBondContact O-N 3.48Å; N153-T155 HydrophobicContact CB-CG2 4.42Å; N153-T155 PolarHBondContact O-N 3.18Å; N153-G167 WeakPolarHBondContact ND2-CA 3.25Å; N153-Y168 WeakPolarHBondContact OD1-CD2 3.45Å; N153-Y168 WeakPolarHBondContact OD1-CE2 3.32Å
154P45.4Very low46.7Very low15 Ų1555.8 Ų55.810%0.09731%0.311CS..  trans-64.898.5165.527.3-33.4000105.8L14 L18 L135 L144L14-P154 HydrophobicContact CD2-CB 3.38Å; L14-P154 HydrophobicContact CD2-CG 3.71Å; L14-P154 HydrophobicContact CG-CB 3.96Å; L18-P154 HydrophobicContact CD1-CB 4.17Å; L135-P154 WeakPolarHBondContact CD1-O 3.28Å; L135-P154 HydrophobicContact CD2-CB 3.49Å; L135-P154 VanDerWaalsContact CD2-CB 3.49Å; L135-P154 HydrophobicContact CD2-CG 3.64Å; L135-P154 WeakPolarHBondContact CD2-O 3.43Å; L144-P154 VanDerWaalsContact CD1-CD 3.48Å; L144-P154 HydrophobicContact CD1-CG 3.28Å; L144-P154 HydrophobicContact CD2-CG 3.53Å; L144-P154 HydrophobicContact CG-CG 4Å
155T47.8Very low46.4Very low13 Ų1358 Ų588%0.0833%0.326CS..  trans-91.3134.2170.142.70000106.4N153 L157 A162 L164N153-T155 HydrophobicContact CB-CG2 4.42Å; N153-T155 PolarHBondContact O-N 3.18Å; T155-L157 WeakPolarHBondContact O-CD1 3.36Å; T155-L157 WeakPolarHBondContact O-CG 3.36Å; T155-L157 PolarHBondContact O-N 3.29Å; T155-A162 HydrophobicContact CG2-CB 3.45Å; T155-A162 VanDerWaalsContact CG2-CB 3.45Å; T155-A162 VanDerWaalsContact OG1-CB 3.24Å; T155-A162 WeakPolarHBondContact OG1-CB 3.18Å; T155-L164 WeakPolarHBondContact CG2-O 3.2Å
156V49.8Very low46.3Very low2 Ų258.4 Ų58.41%0.01233%0.329CS..  trans-52113.5169.9-176.90000106.9V131 L135 I158 A162 L163V131-V156 HydrophobicContact CB-CG2 4.45Å; V131-V156 HydrophobicContact CG1-CB 3.81Å; V131-V156 HydrophobicContact CG1-CG1 3.67Å; V131-V156 HydrophobicContact CG1-CG2 3.14Å; L135-V156 HydrophobicContact CD1-CG2 3.43Å; L135-V156 VanDerWaalsContact CD1-CG2 3.43Å; L135-V156 HydrophobicContact CG-CG2 4.4Å; V156-I158 HydrophobicContact CG1-CG1 4.23Å; V156-I158 PolarHBondContact O-N 3.47Å; V156-A162 CarbonylContact O-C 3.57Å; V156-L163 HydrophobicContact CB-CB 3.67Å; V156-L163 HydrophobicContact CB-CD2 4.35Å; V156-L163 HydrophobicContact CG1-CB 4.26Å; V156-L163 HydrophobicContact CG2-CB 4.37Å; V156-L163 HydrophobicContact CG2-CD2 4.39Å; V156-L163 WeakPolarHBondContact O-CB 3.3Å; V156-L163 PolarHBondContact O-N 3.45Å
157L50.2Low46.2Very low25 Ų2551.7 Ų51.713%0.13130%0.3CS..EExtended strand (participates in β ladder)trans-89.5110.7-178.4-71.1124000108.2S15 T155 G160 H161S15-L157 WeakPolarHBondContact OG-CD1 3.41Å; T155-L157 WeakPolarHBondContact O-CD1 3.36Å; T155-L157 WeakPolarHBondContact O-CG 3.36Å; T155-L157 PolarHBondContact O-N 3.29Å; L157-G160 VanDerWaalsContact CD2-O 3.23Å; L157-G160 WeakPolarHBondContact CD2-O 3.25Å; L157-H161 CarbonylContact C-O 3.42Å; L157-H161 VanDerWaalsContact CA-O 3.25Å; L157-H161 WeakPolarHBondContact CA-O 3.47Å
158I51.5Low46.4Very low36 Ų3647.5 Ų47.519%0.18527%0.271CS..EExtended strand (participates in β ladder)trans-105.3116.8165.6-52.6-165.1000107.7T74 L77 V156 G160 H161 L163T74-I158 HydrophobicContact CG2-CG2 4.32Å; L77-I158 HydrophobicContact CB-CG2 4.24Å; L77-I158 HydrophobicContact CD1-CB 4.49Å; L77-I158 HydrophobicContact CD1-CG2 3.33Å; L77-I158 HydrophobicContact CG-CG2 4.4Å; V156-I158 HydrophobicContact CG1-CG1 4.23Å; V156-I158 PolarHBondContact O-N 3.47Å; I158-G160 VanDerWaalsContact C-N 3.33Å; I158-G160 PolarHBondContact O-N 3.19Å; I158-H161 PolarHBondContact N-O 3.28Å; I158-H161 PolarHBondContact O-N 2.93Å; I158-L163 HydrophobicContact CD1-CD1 3.14Å; I158-L163 HydrophobicContact CG1-CD1 3.64Å
159G45.7Very low46.5Very low1 Ų151.6 Ų51.61%0.0129%0.289CS..THydrogen-bonded Turntrans67.831.3-178.200000113.9H94H94-G159 PolarHBondContact NE2-O 3.49Å
160G43.4Very low47Very low21 Ų2146.9 Ų46.922%0.21626%0.257CS..THydrogen-bonded Turntrans79.79.9-177.700000115.2L157 I158L157-G160 VanDerWaalsContact CD2-O 3.23Å; L157-G160 WeakPolarHBondContact CD2-O 3.25Å; I158-G160 VanDerWaalsContact C-N 3.33Å; I158-G160 PolarHBondContact O-N 3.19Å
161H44.3Very low47.8Very low84 Ų8442.4 Ų42.439%0.38924%0.237SC..EExtended strand (participates in β ladder)trans-136.5152.6179.6-80.6-102.4000115.2I82 L157 I158 L163I82-H161 HydrophobicContact CD1-CB 3.4Å; I82-H161 WeakPolarHBondContact CD1-CD2 3.41Å; L157-H161 CarbonylContact C-O 3.42Å; L157-H161 VanDerWaalsContact CA-O 3.25Å; L157-H161 WeakPolarHBondContact CA-O 3.47Å; I158-H161 PolarHBondContact N-O 3.28Å; I158-H161 PolarHBondContact O-N 2.93Å; H161-L163 PolarHBondContact O-N 3.47Å
162A51.4Low48.3Very low32 Ų3243.4 Ų43.426%0.26425%0.247SC..EExtended strand (participates in β ladder)trans-59.4116.7-177.700000114.5T155 V156 L164T155-A162 HydrophobicContact CG2-CB 3.45Å; T155-A162 VanDerWaalsContact CG2-CB 3.45Å; T155-A162 VanDerWaalsContact OG1-CB 3.24Å; T155-A162 WeakPolarHBondContact OG1-CB 3.18Å; V156-A162 CarbonylContact O-C 3.57Å; A162-L164 PolarHBondContact O-N 3.4Å
163L52.9Low49.3Very low36 Ų3643.7 Ų43.719%0.18824%0.243CC..SBendtrans-60.2-27.3166.6-161.6103.3000112L128 V156 I158 H161 I180L128-L163 HydrophobicContact CD1-CD2 4.1Å; V156-L163 HydrophobicContact CB-CB 3.67Å; V156-L163 HydrophobicContact CB-CD2 4.35Å; V156-L163 HydrophobicContact CG1-CB 4.26Å; V156-L163 HydrophobicContact CG2-CB 4.37Å; V156-L163 HydrophobicContact CG2-CD2 4.39Å; V156-L163 WeakPolarHBondContact O-CB 3.3Å; V156-L163 PolarHBondContact O-N 3.45Å; I158-L163 HydrophobicContact CD1-CD1 3.14Å; I158-L163 HydrophobicContact CG1-CD1 3.64Å; H161-L163 PolarHBondContact O-N 3.47Å; L163-I180 HydrophobicContact CD1-CG2 3.82Å; L163-I180 HydrophobicContact CD2-CG2 3.92Å; L163-I180 HydrophobicContact CG-CG2 3.82Å
164L52.9Low50.3Low13 Ų1347.1 Ų47.17%0.06826%0.261CS..SBendtrans-121.684.3176.6-64.3171.9000108.2T155 A162 N166 G167 D170 F171T155-L164 WeakPolarHBondContact CG2-O 3.2Å; A162-L164 PolarHBondContact O-N 3.4Å; L164-N166 PolarHBondContact O-N 3.39Å; L164-G167 PolarHBondContact O-N 3.26Å; L164-D170 HydrophobicContact CD2-CB 3.96Å; L164-F171 HydrophobicContact CD1-CE2 4.27Å; L164-F171 HydrophobicContact CD1-CZ 4.15Å
165P47.1Very low51.3Low59 Ų5949.8 Ų49.838%0.38328%0.28SS..THydrogen-bonded Turntrans-56.9-17.6-173.520.2-32.9000114.4
166N45.5Very low51.9Low99 Ų9952.7 Ų52.753%0.52929%0.289SS..THydrogen-bonded Turntrans-11413.3-179.4-58.9-22.9000113.4L164L164-N166 PolarHBondContact O-N 3.39Å
167G47Very low52.7Low2 Ų255.2 Ų55.22%0.02130%0.302CS..G310 helixtrans59.8-152.3-176.900000113.9N153 L164 Q169 D170N153-G167 WeakPolarHBondContact ND2-CA 3.25Å; L164-G167 PolarHBondContact O-N 3.26Å; G167-Q169 PolarHBondContact O-N 3.47Å; G167-D170 PolarHBondContact O-N 3.18Å
168Y47.3Very low53.5Low25 Ų2560.5 Ų60.510%0.09832%0.324CS..G310 helixtrans-60.8-11.8-167.1-67.5-94.6000116.4L135 Y139 L144 N153 D170 F171L135-Y168 WeakPolarHBondContact CA-OH 3.5Å; L135-Y168 HydrophobicContact CB-CE1 4.13Å; L135-Y168 WeakPolarHBondContact CB-OH 3.3Å; L135-Y168 VanDerWaalsContact O-CE1 3.29Å; L135-Y168 WeakPolarHBondContact O-CE1 3.33Å; L135-Y168 VanDerWaalsContact O-CZ 3.28Å; L135-Y168 PolarHBondContact O-OH 3.48Å; Y139-Y168 HydrophobicContact CD1-CD1 4.31Å; Y139-Y168 AromaticContact CD2-CD1 3.64Å; Y139-Y168 HydrophobicContact CD2-CD1 3.64Å; Y139-Y168 AromaticContact CD2-CD2 3.87Å; Y139-Y168 HydrophobicContact CD2-CD2 3.87Å; Y139-Y168 HydrophobicContact CD2-CE1 4.14Å; Y139-Y168 HydrophobicContact CD2-CE2 4.35Å; Y139-Y168 AromaticContact CD2-CG 3.53Å; Y139-Y168 HydrophobicContact CD2-CG 3.53Å; Y139-Y168 HydrophobicContact CE2-CD1 4.41Å; Y139-Y168 HydrophobicContact CE2-CG 4.11Å; Y139-Y168 AromaticContact CG-CD1 3.59Å; Y139-Y168 HydrophobicContact CG-CD1 3.59Å; Y139-Y168 HydrophobicContact CG-CD2 4.49Å; Y139-Y168 AromaticContact CG-CE1 3.8Å; Y139-Y168 HydrophobicContact CG-CE1 3.8Å; Y139-Y168 AromaticContact CG-CG 4Å; Y139-Y168 HydrophobicContact CG-CG 4Å; L144-Y168 HydrophobicContact CD1-CE2 3.6Å; L144-Y168 WeakPolarHBondContact CD1-OH 3.5Å; N153-Y168 WeakPolarHBondContact OD1-CD2 3.45Å; N153-Y168 WeakPolarHBondContact OD1-CE2 3.32Å; Y168-D170 PolarHBondContact O-N 3.48Å; Y168-F171 AromaticContact CD1-CD2 3.64Å; Y168-F171 HydrophobicContact CD1-CD2 3.64Å; Y168-F171 AromaticContact CD1-CE2 3.25Å; Y168-F171 HydrophobicContact CD1-CE2 3.25Å; Y168-F171 HydrophobicContact CD1-CZ 4.35Å; Y168-F171 HydrophobicContact CE1-CD2 4.46Å; Y168-F171 AromaticContact CE1-CE2 3.66Å; Y168-F171 HydrophobicContact CE1-CE2 3.66Å; Y168-F171 HydrophobicContact CE1-CZ 4.41Å; Y168-F171 HydrophobicContact CG-CD2 4.22Å; Y168-F171 HydrophobicContact CG-CE2 4.01Å; Y168-F171 PolarHBondContact O-N 3.11Å
169Q45.6Very low54.3Low161 Ų16164.5 Ų64.575%0.75235%0.345SS*.G310 helixtrans-62.1-23.5177-70.3-174.5-12.400112.3G167 S172G167-Q169 PolarHBondContact O-N 3.47Å; Q169-S172 PolarHBondContact O-OG 3.12Å
170D51.7Low55.2Low20 Ų2066.6 Ų66.611%0.10736%0.355CS..G310 helixtrans-83.1-8.3-178.2-77.9-43.6000115L164 G167 Y168 S172 N173 R176L164-D170 HydrophobicContact CD2-CB 3.96Å; G167-D170 PolarHBondContact O-N 3.18Å; Y168-D170 PolarHBondContact O-N 3.48Å; D170-S172 PolarHBondContact O-N 2.62Å; D170-S172 VanDerWaalsContact O-N 3.15Å; D170-N173 PolarHBondContact O-N 3.38Å; D170-R176 IonicContact OD1-NH1 2.97Å; D170-R176 PolarHBondContact OD1-NH1 3.33Å; D170-R176 IonicContact OD2-CZ 3.73Å; D170-R176 IonicContact OD2-NH1 2.66Å; D170-R176 PolarHBondContact OD2-NH1 2.75Å
171F55.7Low56.4Low63 Ų6367.5 Ų67.528%0.27636%0.355SS..G310 helixtrans-64.2-19.1175.2-78.3-73.6000113T132 L164 Y168 N173 I177T132-F171 HydrophobicContact CG2-CE1 4Å; T132-F171 HydrophobicContact CG2-CZ 4.48Å; L164-F171 HydrophobicContact CD1-CE2 4.27Å; L164-F171 HydrophobicContact CD1-CZ 4.15Å; Y168-F171 AromaticContact CD1-CD2 3.64Å; Y168-F171 HydrophobicContact CD1-CD2 3.64Å; Y168-F171 AromaticContact CD1-CE2 3.25Å; Y168-F171 HydrophobicContact CD1-CE2 3.25Å; Y168-F171 HydrophobicContact CD1-CZ 4.35Å; Y168-F171 HydrophobicContact CE1-CD2 4.46Å; Y168-F171 AromaticContact CE1-CE2 3.66Å; Y168-F171 HydrophobicContact CE1-CE2 3.66Å; Y168-F171 HydrophobicContact CE1-CZ 4.41Å; Y168-F171 HydrophobicContact CG-CD2 4.22Å; Y168-F171 HydrophobicContact CG-CE2 4.01Å; Y168-F171 PolarHBondContact O-N 3.11Å; F171-N173 PolarHBondContact O-N 3.05Å; F171-I177 HydrophobicContact CD1-CD1 4.03Å
172S55.1Low57.8Low108 Ų10868 Ų6876%0.75536%0.36SS*.G310 helixtrans-66.2-21.9170.762.10000112.8Q169 D170 I174Q169-S172 PolarHBondContact O-OG 3.12Å; D170-S172 PolarHBondContact O-N 2.62Å; D170-S172 VanDerWaalsContact O-N 3.15Å; S172-I174 PolarHBondContact O-N 2.87Å
173N61.6Low58.7Low67 Ų6767.9 Ų67.936%0.35836%0.362SS..  trans-103.669.2-175.2-157.4-21.9000111.5D170 F171 S175 R176 I177D170-N173 PolarHBondContact O-N 3.38Å; F171-N173 PolarHBondContact O-N 3.05Å; N173-S175 PolarHBondContact O-N 2.77Å; N173-S175 VanDerWaalsContact O-N 3.1Å; N173-S175 PolarHBondContact OD1-OG 3.38Å; N173-R176 HydrophobicContact CB-CB 4.22Å; N173-R176 WeakPolarHBondContact O-CB 3.23Å; N173-R176 PolarHBondContact O-N 2.89Å; N173-R176 PolarHBondContact OD1-N 3.37Å; N173-I177 PolarHBondContact O-N 2.92Å
174I65.6Low59.5Low108 Ų10867.5 Ų67.555%0.55436%0.364SS*.Hα-helixtrans-49-38.5177.6-66.4171.8000111.5S172 R176 I177 F178S172-I174 PolarHBondContact O-N 2.87Å; I174-R176 VanDerWaalsContact C-N 3.32Å; I174-R176 PolarHBondContact O-N 3.43Å; I174-I177 PolarHBondContact O-N 3.45Å; I174-F178 HydrophobicContact CG2-CD2 3.56Å; I174-F178 HydrophobicContact CG2-CE2 3.34Å; I174-F178 VanDerWaalsContact O-CD2 3.26Å; I174-F178 WeakPolarHBondContact O-CD2 3.43Å; I174-F178 PolarHBondContact O-N 3.32Å
175S64.9Low60.6Low71 Ų7168.6 Ų68.650%0.49737%0.37SS..Hα-helixtrans-60.4-39.8179.576.40000112.9N173 F178 I179N173-S175 PolarHBondContact O-N 2.77Å; N173-S175 VanDerWaalsContact O-N 3.1Å; N173-S175 PolarHBondContact OD1-OG 3.38Å; S175-F178 PolarHBondContact O-N 3.46Å; S175-I179 VanDerWaalsContact O-CG1 3.29Å; S175-I179 WeakPolarHBondContact O-CG1 3.24Å; S175-I179 PolarHBondContact O-N 3.5Å
176R61.7Low62.1Low73 Ų7371.4 Ų71.428%0.27538%0.376SS..Hα-helixtrans-68.7-38.5178.3-172.9177.4175.6-154.2-5.9111.6D170 N173 I174 F178 I179 I180D170-R176 IonicContact OD1-NH1 2.97Å; D170-R176 PolarHBondContact OD1-NH1 3.33Å; D170-R176 IonicContact OD2-CZ 3.73Å; D170-R176 IonicContact OD2-NH1 2.66Å; D170-R176 PolarHBondContact OD2-NH1 2.75Å; N173-R176 HydrophobicContact CB-CB 4.22Å; N173-R176 WeakPolarHBondContact O-CB 3.23Å; N173-R176 PolarHBondContact O-N 2.89Å; N173-R176 PolarHBondContact OD1-N 3.37Å; I174-R176 VanDerWaalsContact C-N 3.32Å; I174-R176 PolarHBondContact O-N 3.43Å; R176-F178 VanDerWaalsContact C-N 3.35Å; R176-I179 PolarHBondContact O-N 3.26Å; R176-I180 HydrophobicContact CG-CD1 3.92Å; R176-I180 WeakPolarHBondContact O-CB 3.4Å; R176-I180 VanDerWaalsContact O-CG1 3.24Å; R176-I180 WeakPolarHBondContact O-CG1 3.41Å; R176-I180 PolarHBondContact O-N 3.21Å
177I64.9Low63.7Low56 Ų5668.5 Ų68.529%0.28736%0.36SS..Hα-helixtrans-61.3-46175.3-60.7173.4000110F171 N173 I174 I180 L181F171-I177 HydrophobicContact CD1-CD1 4.03Å; N173-I177 PolarHBondContact O-N 2.92Å; I174-I177 PolarHBondContact O-N 3.45Å; I177-I180 PolarHBondContact O-N 2.85Å; I177-L181 VanDerWaalsContact O-CB 3.28Å; I177-L181 WeakPolarHBondContact O-CB 3.46Å; I177-L181 PolarHBondContact O-N 3.35Å
178F68.2Low65.2Low135 Ų13568.5 Ų68.559%0.59236%0.36SS*.Hα-helixtrans-63.1-41.9176.9-81.9-67.3000112.9I174 S175 R176 L181 L182I174-F178 HydrophobicContact CG2-CD2 3.56Å; I174-F178 HydrophobicContact CG2-CE2 3.34Å; I174-F178 VanDerWaalsContact O-CD2 3.26Å; I174-F178 WeakPolarHBondContact O-CD2 3.43Å; I174-F178 PolarHBondContact O-N 3.32Å; S175-F178 PolarHBondContact O-N 3.46Å; R176-F178 VanDerWaalsContact C-N 3.35Å; F178-L181 PolarHBondContact O-N 2.66Å; F178-L182 WeakPolarHBondContact O-CB 3.01Å; F178-L182 PolarHBondContact O-N 2.9Å
179I67.4Low66.8Low120 Ų12070.3 Ų70.362%0.61537%0.371SS*.Hα-helixtrans-62.5-45.3177.3-69.7164.3000110.8S175 R176 L182 G183S175-I179 VanDerWaalsContact O-CG1 3.29Å; S175-I179 WeakPolarHBondContact O-CG1 3.24Å; S175-I179 PolarHBondContact O-N 3.5Å; R176-I179 PolarHBondContact O-N 3.26Å; I179-L182 PolarHBondContact O-N 2.68Å; I179-G183 PolarHBondContact O-N 2.95Å
180I64.8Low68.7Low46 Ų4668.5 Ų68.524%0.23636%0.364CS..Hα-helixtrans-64.1-44.9178.2-68.7167.7000110.4L163 R176 I177 G183 A184L163-I180 HydrophobicContact CD1-CG2 3.82Å; L163-I180 HydrophobicContact CD2-CG2 3.92Å; L163-I180 HydrophobicContact CG-CG2 3.82Å; R176-I180 HydrophobicContact CG-CD1 3.92Å; R176-I180 WeakPolarHBondContact O-CB 3.4Å; R176-I180 VanDerWaalsContact O-CG1 3.24Å; R176-I180 WeakPolarHBondContact O-CG1 3.41Å; R176-I180 PolarHBondContact O-N 3.21Å; I177-I180 PolarHBondContact O-N 2.85Å; I180-G183 PolarHBondContact O-N 3.15Å; I180-A184 WeakPolarHBondContact O-CB 3.34Å; I180-A184 PolarHBondContact O-N 3.5Å
181L68.5Low70.3Confident40 Ų4068 Ų6821%0.20936%0.361CS..Hα-helixtrans-61.1-48.5178.5172.262.1000111.3L125 L128 I177 F178 G183 A184 I185L125-L181 HydrophobicContact CD2-CD1 3.44Å; L125-L181 VanDerWaalsContact CD2-CD1 3.44Å; L125-L181 HydrophobicContact CD2-CD2 4.28Å; L125-L181 HydrophobicContact CD2-CG 4.32Å; L128-L181 HydrophobicContact CD2-CB 4.21Å; L128-L181 HydrophobicContact CD2-CD1 3.34Å; L128-L181 HydrophobicContact CD2-CG 4.24Å; I177-L181 VanDerWaalsContact O-CB 3.28Å; I177-L181 WeakPolarHBondContact O-CB 3.46Å; I177-L181 PolarHBondContact O-N 3.35Å; F178-L181 PolarHBondContact O-N 2.66Å; L181-G183 VanDerWaalsContact C-N 3.33Å; L181-G183 PolarHBondContact O-N 2.67Å; L181-A184 PolarHBondContact O-N 3.32Å; L181-I185 HydrophobicContact CD1-CD1 4.08Å; L181-I185 HydrophobicContact CD1-CG1 4.34Å; L181-I185 HydrophobicContact CG-CD1 4.07Å; L181-I185 VanDerWaalsContact O-CG1 3.28Å; L181-I185 WeakPolarHBondContact O-CG1 3.26Å; L181-I185 PolarHBondContact O-N 2.97Å
182L74.2Confident71.7Confident94 Ų9465 Ų6549%0.49235%0.348SS..Hα-helixtrans-62.9-42.5178.9-174.263.1000111F178 I179 A184 I185 F186F178-L182 WeakPolarHBondContact O-CB 3.01Å; F178-L182 PolarHBondContact O-N 2.9Å; I179-L182 PolarHBondContact O-N 2.68Å; L182-A184 PolarHBondContact O-N 3.19Å; L182-I185 PolarHBondContact O-N 3.38Å; L182-F186 HydrophobicContact CD1-CD2 3.98Å; L182-F186 HydrophobicContact CD1-CE2 3.51Å; L182-F186 HydrophobicContact CD1-CZ 4.34Å; L182-F186 HydrophobicContact CD2-CE2 4Å; L182-F186 HydrophobicContact CG-CD2 3.77Å; L182-F186 HydrophobicContact CG-CE2 3.5Å; L182-F186 VanDerWaalsContact CG-CE2 3.5Å; L182-F186 WeakPolarHBondContact O-CD2 3.24Å; L182-F186 PolarHBondContact O-N 2.84Å
183G70.9Confident73.1Confident30 Ų3062.5 Ų62.531%0.30933%0.33SS..Hα-helixtrans-59.7-43.9174.300000112.7I179 I180 L181 I185 F186 I187I179-G183 PolarHBondContact O-N 2.95Å; I180-G183 PolarHBondContact O-N 3.15Å; L181-G183 VanDerWaalsContact C-N 3.33Å; L181-G183 PolarHBondContact O-N 2.67Å; G183-I185 PolarHBondContact O-N 2.87Å; G183-F186 PolarHBondContact O-N 3.39Å; G183-I187 WeakPolarHBondContact O-CB 3.42Å; G183-I187 VanDerWaalsContact O-CG1 3.28Å; G183-I187 WeakPolarHBondContact O-CG1 3.36Å; G183-I187 PolarHBondContact O-N 3.46Å
184A69.2Low74.3Confident28 Ų2863.9 Ų63.923%0.23134%0.336CS..Hα-helixtrans-63.9-40.3176.700000112.3I180 L181 L182 I187 G188I180-A184 WeakPolarHBondContact O-CB 3.34Å; I180-A184 PolarHBondContact O-N 3.5Å; L181-A184 PolarHBondContact O-N 3.32Å; L182-A184 PolarHBondContact O-N 3.19Å; A184-I187 PolarHBondContact O-N 3.25Å; A184-G188 PolarHBondContact O-N 2.86Å
185I74.9Confident75.3Confident36 Ų3658.9 Ų58.919%0.18531%0.311CS..Hα-helixtrans-62-48.7174.8-66.7165.5000110.3V121 L125 L181 L182 G183 I187 G188 I189V121-I185 HydrophobicContact CG1-CG1 4.35Å; V121-I185 HydrophobicContact CG1-CG2 3.99Å; V121-I185 HydrophobicContact CG2-CG2 4.22Å; L125-I185 HydrophobicContact CD2-CD1 4.14Å; L181-I185 HydrophobicContact CD1-CD1 4.08Å; L181-I185 HydrophobicContact CD1-CG1 4.34Å; L181-I185 HydrophobicContact CG-CD1 4.07Å; L181-I185 VanDerWaalsContact O-CG1 3.28Å; L181-I185 WeakPolarHBondContact O-CG1 3.26Å; L181-I185 PolarHBondContact O-N 2.97Å; L182-I185 PolarHBondContact O-N 3.38Å; G183-I185 PolarHBondContact O-N 2.87Å; I185-I187 PolarHBondContact O-N 2.87Å; I185-G188 PolarHBondContact O-N 3.42Å; I185-I189 HydrophobicContact CG2-CD1 3.75Å; I185-I189 HydrophobicContact CG2-CG1 4.44Å; I185-I189 WeakPolarHBondContact O-CG1 3.33Å; I185-I189 PolarHBondContact O-N 3.26Å
186F79.8Confident76.1Confident118 Ų11856.4 Ų56.452%0.51829%0.292SS..Hα-helixtrans-60.6-43.8179-84.1-64.1000112.2L182 G183 I189 M190L182-F186 HydrophobicContact CD1-CD2 3.98Å; L182-F186 HydrophobicContact CD1-CE2 3.51Å; L182-F186 HydrophobicContact CD1-CZ 4.34Å; L182-F186 HydrophobicContact CD2-CE2 4Å; L182-F186 HydrophobicContact CG-CD2 3.77Å; L182-F186 HydrophobicContact CG-CE2 3.5Å; L182-F186 VanDerWaalsContact CG-CE2 3.5Å; L182-F186 WeakPolarHBondContact O-CD2 3.24Å; L182-F186 PolarHBondContact O-N 2.84Å; G183-F186 PolarHBondContact O-N 3.39Å; F186-I189 PolarHBondContact O-N 3.26Å; F186-M190 WeakPolarHBondContact O-CB 3.5Å; F186-M190 WeakPolarHBondContact O-CG 3.33Å; F186-M190 PolarHBondContact O-N 2.92Å
187I78.6Confident77.2Confident37 Ų3756.8 Ų56.819%0.1930%0.302CS..Hα-helixtrans-61.2-46.2176.6-71.1169.7000110.6L77 M80 G183 A184 I185 I189 M190 I191L77-I187 HydrophobicContact CD2-CD1 3.53Å; L77-I187 HydrophobicContact CG-CD1 4.39Å; M80-I187 HydrophobicContact CE-CD1 3.91Å; M80-I187 HydrophobicContact CE-CG1 4.49Å; G183-I187 WeakPolarHBondContact O-CB 3.42Å; G183-I187 VanDerWaalsContact O-CG1 3.28Å; G183-I187 WeakPolarHBondContact O-CG1 3.36Å; G183-I187 PolarHBondContact O-N 3.46Å; A184-I187 PolarHBondContact O-N 3.25Å; I185-I187 PolarHBondContact O-N 2.87Å; I187-I189 VanDerWaalsContact C-N 3.35Å; I187-I189 PolarHBondContact O-N 2.8Å; I187-M190 PolarHBondContact O-N 2.98Å; I187-I191 HydrophobicContact CG2-CD1 3.61Å; I187-I191 HydrophobicContact CG2-CG1 4.45Å; I187-I191 WeakPolarHBondContact O-CB 3.29Å; I187-I191 VanDerWaalsContact O-CG1 3.28Å; I187-I191 WeakPolarHBondContact O-CG1 3.33Å; I187-I191 PolarHBondContact O-N 3.13Å
188G78.3Confident78.2Confident3 Ų356.8 Ų56.83%0.03130%0.302CS..Hα-helixtrans-60-42.4177.400000112.9A184 I185 H192A184-G188 PolarHBondContact O-N 2.86Å; I185-G188 PolarHBondContact O-N 3.42Å; G188-H192 PolarHBondContact O-N 2.84Å
189I81.2Confident78.8Confident63 Ų6350.5 Ų50.532%0.32328%0.275SS..Hα-helixtrans-65.4-47.8176.2-66.7168000110.8V121 I185 F186 I187 I191 H192 C193V121-I189 HydrophobicContact CG2-CD1 4.13Å; V121-I189 HydrophobicContact CG2-CG1 3.66Å; I185-I189 HydrophobicContact CG2-CD1 3.75Å; I185-I189 HydrophobicContact CG2-CG1 4.44Å; I185-I189 WeakPolarHBondContact O-CG1 3.33Å; I185-I189 PolarHBondContact O-N 3.26Å; F186-I189 PolarHBondContact O-N 3.26Å; I187-I189 VanDerWaalsContact C-N 3.35Å; I187-I189 PolarHBondContact O-N 2.8Å; I189-I191 VanDerWaalsContact C-N 3.29Å; I189-I191 PolarHBondContact O-N 2.96Å; I189-H192 WeakPolarHBondContact O-CB 3.46Å; I189-H192 PolarHBondContact O-N 2.77Å; I189-C193 PolarHBondContact O-N 3.18Å; I189-C193 PolarHBondContact O-SG 2.85Å
190M85.4Confident79.5Confident122 Ų12249.6 Ų49.660%0.60127%0.271SS*.Hα-helixtrans-57.8-44.6179.1-77.3-17568.300111.6F186 I187 C193 I194F186-M190 WeakPolarHBondContact O-CB 3.5Å; F186-M190 WeakPolarHBondContact O-CG 3.33Å; F186-M190 PolarHBondContact O-N 2.92Å; I187-M190 PolarHBondContact O-N 2.98Å; M190-C193 PolarHBondContact O-N 2.94Å; M190-I194 VanDerWaalsContact O-CG1 3.29Å; M190-I194 WeakPolarHBondContact O-CG1 3.16Å; M190-I194 PolarHBondContact O-N 3.33Å
191I85.3Confident80.3Confident10 Ų1050.4 Ų50.45%0.05128%0.278CS..Hα-helixtrans-63.8-44.2178.1-73.7170.4000110.9Y72 T76 I187 I189 C193 I194 L195Y72-I191 HydrophobicContact CG-CG2 4.3Å; T76-I191 WeakPolarHBondContact OG1-CD1 3.49Å; I187-I191 HydrophobicContact CG2-CD1 3.61Å; I187-I191 HydrophobicContact CG2-CG1 4.45Å; I187-I191 WeakPolarHBondContact O-CB 3.29Å; I187-I191 VanDerWaalsContact O-CG1 3.28Å; I187-I191 WeakPolarHBondContact O-CG1 3.33Å; I187-I191 PolarHBondContact O-N 3.13Å; I189-I191 VanDerWaalsContact C-N 3.29Å; I189-I191 PolarHBondContact O-N 2.96Å; I191-C193 VanDerWaalsContact C-N 3.3Å; I191-C193 PolarHBondContact O-N 3.2Å; I191-I194 PolarHBondContact O-N 3.47Å; I191-L195 HydrophobicContact CG2-CD1 3.83Å; I191-L195 HydrophobicContact CG2-CG 4.34Å; I191-L195 VanDerWaalsContact O-CG 3.26Å; I191-L195 WeakPolarHBondContact O-CG 3.08Å; I191-L195 PolarHBondContact O-N 2.73Å
192H85.4Confident81Confident1 Ų149.3 Ų49.31%0.00527%0.271CS..Hα-helixtrans-57.7-44.8175.1-167.783.8000111.7N69 Y113 H116 A117 G188 I189 L195 L196N69-H192 PolarHBondContact ND2-ND1 2.95Å; N69-H192 VanDerWaalsContact ND2-ND1 3.14Å; N69-H192 WeakPolarHBondContact OD1-CA 3.14Å; N69-H192 WeakPolarHBondContact OD1-CB 3.12Å; N69-H192 PolarHBondContact OD1-N 3.16Å; N69-H192 PolarHBondContact OD1-ND1 3.28Å; Y113-H192 PolarHBondContact O-NE2 3.27Å; H116-H192 VanDerWaalsContact C-CE1 3.47Å; A117-H192 HydrophobicContact CB-CB 4.42Å; A117-H192 PolarHBondContact N-NE2 2.93Å; G188-H192 PolarHBondContact O-N 2.84Å; I189-H192 WeakPolarHBondContact O-CB 3.46Å; I189-H192 PolarHBondContact O-N 2.77Å; H192-L195 PolarHBondContact O-N 2.64Å; H192-L196 VanDerWaalsContact O-CB 3.26Å; H192-L196 WeakPolarHBondContact O-CB 3.48Å; H192-L196 PolarHBondContact O-N 2.87Å
193C84.9Confident81.1Confident55 Ų5547 Ų4737%0.37226%0.259SS..Hα-helixtrans-63.7-39.8177.4-67.60000112.4I189 M190 I191 L196 T197I189-C193 PolarHBondContact O-N 3.18Å; I189-C193 PolarHBondContact O-SG 2.85Å; M190-C193 PolarHBondContact O-N 2.94Å; I191-C193 VanDerWaalsContact C-N 3.3Å; I191-C193 PolarHBondContact O-N 3.2Å; C193-L196 PolarHBondContact O-N 3.3Å; C193-T197 WeakPolarHBondContact O-CB 3.38Å; C193-T197 PolarHBondContact O-N 3.11Å; C193-T197 PolarHBondContact O-OG1 3.44Å
194I86.6Confident81.5Confident96 Ų9651.7 Ų51.749%0.49227%0.271SS..Hα-helixtrans-63.5-48.2175.6-69.7164.2000110.1M190 I191 L196 T197 L198M190-I194 VanDerWaalsContact O-CG1 3.29Å; M190-I194 WeakPolarHBondContact O-CG1 3.16Å; M190-I194 PolarHBondContact O-N 3.33Å; I191-I194 PolarHBondContact O-N 3.47Å; I194-L196 VanDerWaalsContact C-N 3.34Å; I194-L196 PolarHBondContact O-N 3.48Å; I194-T197 WeakPolarHBondContact O-CB 3.2Å; I194-T197 PolarHBondContact O-N 2.86Å; I194-T197 VanDerWaalsContact O-N 3.16Å; I194-L198 HydrophobicContact CG2-CD1 4.23Å; I194-L198 WeakPolarHBondContact O-CG 3.42Å; I194-L198 PolarHBondContact O-N 2.86Å
195L85.6Confident82Confident2 Ų254.8 Ų54.81%0.0128%0.283CS..Hα-helixtrans-62.4-42.1178.6-66.9169.4000112V68 Y72 L105 L112 I191 H192 T197 L198 V199V68-L195 HydrophobicContact CG1-CD1 3.71Å; Y72-L195 HydrophobicContact CD2-CD1 3.96Å; Y72-L195 HydrophobicContact CD2-CD2 3.72Å; Y72-L195 HydrophobicContact CD2-CG 4.38Å; Y72-L195 HydrophobicContact CE1-CD2 4.33Å; Y72-L195 HydrophobicContact CE2-CD1 4.5Å; Y72-L195 HydrophobicContact CE2-CD2 3.51Å; Y72-L195 HydrophobicContact CG-CD1 4.44Å; Y72-L195 HydrophobicContact CG-CD2 4.22Å; L105-L195 HydrophobicContact CD1-CD2 3.79Å; L112-L195 HydrophobicContact CD1-CB 4.09Å; I191-L195 HydrophobicContact CG2-CD1 3.83Å; I191-L195 HydrophobicContact CG2-CG 4.34Å; I191-L195 VanDerWaalsContact O-CG 3.26Å; I191-L195 WeakPolarHBondContact O-CG 3.08Å; I191-L195 PolarHBondContact O-N 2.73Å; H192-L195 PolarHBondContact O-N 2.64Å; L195-T197 VanDerWaalsContact C-N 3.32Å; L195-T197 PolarHBondContact O-N 3.45Å; L195-L198 WeakPolarHBondContact O-CB 3.29Å; L195-L198 PolarHBondContact O-N 2.79Å; L195-V199 WeakPolarHBondContact O-CG2 3.07Å; L195-V199 PolarHBondContact O-N 3.17Å
196L83.1Confident82Confident20 Ų2053.7 Ų53.711%0.10528%0.28CS..Hα-helixtrans-59.9-44.2173.9-178.266.2000111.1L112 I114 H192 C193 I194 L198 V199 I200L112-L196 HydrophobicContact CB-CD1 3.81Å; L112-L196 WeakPolarHBondContact O-CD1 2.96Å; I114-L196 HydrophobicContact CB-CD2 4Å; I114-L196 HydrophobicContact CG1-CD2 4.22Å; H192-L196 VanDerWaalsContact O-CB 3.26Å; H192-L196 WeakPolarHBondContact O-CB 3.48Å; H192-L196 PolarHBondContact O-N 2.87Å; C193-L196 PolarHBondContact O-N 3.3Å; I194-L196 VanDerWaalsContact C-N 3.34Å; I194-L196 PolarHBondContact O-N 3.48Å; L196-L198 VanDerWaalsContact C-N 3.32Å; L196-L198 PolarHBondContact O-N 2.79Å; L196-V199 PolarHBondContact O-N 3.2Å; L196-I200 HydrophobicContact CD1-CD1 4.28Å; L196-I200 HydrophobicContact CG-CD1 3.93Å; L196-I200 VanDerWaalsContact O-CG1 3.28Å; L196-I200 WeakPolarHBondContact O-CG1 3.31Å; L196-I200 PolarHBondContact O-N 2.89Å
197T84.4Confident81.7Confident81 Ų8152.1 Ų52.150%0.49728%0.283SS..Hα-helixtrans-61.8-40.5176.7-55.60000111.3C193 I194 L195 I200 T201C193-T197 WeakPolarHBondContact O-CB 3.38Å; C193-T197 PolarHBondContact O-N 3.11Å; C193-T197 PolarHBondContact O-OG1 3.44Å; I194-T197 WeakPolarHBondContact O-CB 3.2Å; I194-T197 PolarHBondContact O-N 2.86Å; I194-T197 VanDerWaalsContact O-N 3.16Å; L195-T197 VanDerWaalsContact C-N 3.32Å; L195-T197 PolarHBondContact O-N 3.45Å; T197-I200 PolarHBondContact O-N 3.41Å; T197-T201 VanDerWaalsContact O-CB 3.3Å; T197-T201 WeakPolarHBondContact O-CB 3.43Å; T197-T201 PolarHBondContact O-N 3.42Å; T197-T201 PolarHBondContact O-OG1 2.97Å
198L85.2Confident81.6Confident55 Ų5555.6 Ų55.629%0.28830%0.302SS..Hα-helixtrans-64-42.9176.4-70.9171.3000112L102 F106 I194 L195 L196 T201 R202L102-L198 HydrophobicContact CD1-CD1 3.84Å; F106-L198 HydrophobicContact CZ-CD2 4.39Å; I194-L198 HydrophobicContact CG2-CD1 4.23Å; I194-L198 WeakPolarHBondContact O-CG 3.42Å; I194-L198 PolarHBondContact O-N 2.86Å; L195-L198 WeakPolarHBondContact O-CB 3.29Å; L195-L198 PolarHBondContact O-N 2.79Å; L196-L198 VanDerWaalsContact C-N 3.32Å; L196-L198 PolarHBondContact O-N 2.79Å; L198-T201 PolarHBondContact O-N 2.55Å; L198-R202 WeakPolarHBondContact O-CB 3.32Å; L198-R202 PolarHBondContact O-N 3.19Å
199V81.9Confident81.5Confident3 Ų359.7 Ų59.72%0.01833%0.329CS..Hα-helixtrans-63.5-46.5176168.70000111.3L105 L112 L195 L196 T201 R202 D203L105-V199 HydrophobicContact CD2-CG2 4.03Å; L112-V199 HydrophobicContact CD1-CG2 3.76Å; L112-V199 HydrophobicContact CG-CG2 4.15Å; L195-V199 WeakPolarHBondContact O-CG2 3.07Å; L195-V199 PolarHBondContact O-N 3.17Å; L196-V199 PolarHBondContact O-N 3.2Å; V199-T201 VanDerWaalsContact C-N 3.31Å; V199-T201 PolarHBondContact O-N 3.21Å; V199-R202 WeakPolarHBondContact O-CB 3.25Å; V199-R202 PolarHBondContact O-N 3.29Å; V199-D203 PolarHBondContact O-N 3.5Å
200I80.8Confident80.6Confident102 Ų10265.5 Ų65.552%0.52335%0.354SS..Hα-helixtrans-60.7-42.4175.5-66.7166.3000110.8L196 T197 D203 F204L196-I200 HydrophobicContact CD1-CD1 4.28Å; L196-I200 HydrophobicContact CG-CD1 3.93Å; L196-I200 VanDerWaalsContact O-CG1 3.28Å; L196-I200 WeakPolarHBondContact O-CG1 3.31Å; L196-I200 PolarHBondContact O-N 2.89Å; T197-I200 PolarHBondContact O-N 3.41Å; I200-D203 PolarHBondContact O-N 2.75Å; I200-F204 WeakPolarHBondContact O-CB 3.48Å; I200-F204 PolarHBondContact O-N 2.85Å
201T83.3Confident79.3Confident63 Ų6366.2 Ų66.239%0.38736%0.356SS..Hα-helixtrans-64.2-42.7178.4-57.30000111.1T197 L198 V199 F204 L205T197-T201 VanDerWaalsContact O-CB 3.3Å; T197-T201 WeakPolarHBondContact O-CB 3.43Å; T197-T201 PolarHBondContact O-N 3.42Å; T197-T201 PolarHBondContact O-OG1 2.97Å; L198-T201 PolarHBondContact O-N 2.55Å; V199-T201 VanDerWaalsContact C-N 3.31Å; V199-T201 PolarHBondContact O-N 3.21Å; T201-F204 PolarHBondContact O-N 3.05Å; T201-L205 HydrophobicContact CG2-CD1 4.16Å; T201-L205 HydrophobicContact CG2-CG 4.49Å; T201-L205 WeakPolarHBondContact O-CB 3.41Å; T201-L205 VanDerWaalsContact O-CG 3.26Å; T201-L205 WeakPolarHBondContact O-CG 3.21Å; T201-L205 PolarHBondContact O-N 3.12Å
202R82.1Confident77.7Confident17 Ų1769.3 Ų69.36%0.06438%0.379CS..Hα-helixtrans-58.2-50173.3175.3-151.770.9-159.10.6111L105 F106 N108 L198 V199 F204 L205 A206L105-R202 WeakPolarHBondContact O-CD 3.05Å; L105-R202 PolarHBondContact O-NH1 3.46Å; F106-R202 HydrophobicContact CD1-CB 4.12Å; F106-R202 HydrophobicContact CD1-CG 4.13Å; F106-R202 HydrophobicContact CE1-CB 4.25Å; N108-R202 PolarHBondContact O-NH1 2.94Å; L198-R202 WeakPolarHBondContact O-CB 3.32Å; L198-R202 PolarHBondContact O-N 3.19Å; V199-R202 WeakPolarHBondContact O-CB 3.25Å; V199-R202 PolarHBondContact O-N 3.29Å; R202-F204 VanDerWaalsContact C-N 3.31Å; R202-F204 PolarHBondContact O-N 2.75Å; R202-L205 PolarHBondContact O-N 3.46Å; R202-L205 VanDerWaalsContact O-N 3.16Å; R202-A206 WeakPolarHBondContact O-CB 3.25Å; R202-A206 PolarHBondContact O-N 2.93Å
203D75.8Confident76.1Confident45 Ų4571.1 Ų71.124%0.24139%0.39CS..Hα-helixtrans-64.2-37.7-178.7-70.4-26.5000111.9V199 I200 A206 S207 T213V199-D203 PolarHBondContact O-N 3.5Å; I200-D203 PolarHBondContact O-N 2.75Å; D203-A206 PolarHBondContact O-N 3.15Å; D203-S207 VanDerWaalsContact O-CB 3.31Å; D203-S207 WeakPolarHBondContact O-CB 3.47Å; D203-S207 PolarHBondContact O-N 2.94Å; D203-T213 WeakPolarHBondContact OD1-CB 3.45Å; D203-T213 PolarHBondContact OD1-OG1 3.02Å
204F79.2Confident74.1Confident128 Ų12873.7 Ų73.756%0.56140%0.4SS*.Hα-helixtrans-61.8-45.8171.4179.3-102000112.1I200 T201 R202 S207 L208I200-F204 WeakPolarHBondContact O-CB 3.48Å; I200-F204 PolarHBondContact O-N 2.85Å; T201-F204 PolarHBondContact O-N 3.05Å; R202-F204 VanDerWaalsContact C-N 3.31Å; R202-F204 PolarHBondContact O-N 2.75Å; F204-S207 WeakPolarHBondContact O-CB 3.29Å; F204-S207 PolarHBondContact O-N 3.44Å; F204-L208 HydrophobicContact CD1-CD1 4.09Å; F204-L208 HydrophobicContact CE1-CD1 3.6Å; F204-L208 HydrophobicContact CE1-CG 4.29Å; F204-L208 HydrophobicContact CZ-CD1 4.06Å; F204-L208 HydrophobicContact CZ-CD2 4.49Å; F204-L208 HydrophobicContact CZ-CG 4.38Å; F204-L208 WeakPolarHBondContact O-CG 3.42Å; F204-L208 PolarHBondContact O-N 3.15Å
205L80.8Confident72Confident93 Ų9376.3 Ų76.349%0.48741%0.413SS..Hα-helixtrans-64.6-39.9176.7-72171.7000112.4T201 R202 L208 C209T201-L205 HydrophobicContact CG2-CD1 4.16Å; T201-L205 HydrophobicContact CG2-CG 4.49Å; T201-L205 WeakPolarHBondContact O-CB 3.41Å; T201-L205 VanDerWaalsContact O-CG 3.26Å; T201-L205 WeakPolarHBondContact O-CG 3.21Å; T201-L205 PolarHBondContact O-N 3.12Å; R202-L205 PolarHBondContact O-N 3.46Å; R202-L205 VanDerWaalsContact O-N 3.16Å; L205-L208 HydrophobicContact CD2-CD1 4.43Å; L205-L208 PolarHBondContact O-N 2.81Å; L205-C209 PolarHBondContact O-N 3.33Å
206A74.1Confident69.9Low14 Ų1482.8 Ų82.812%0.11644%0.438CS..Hα-helixtrans-65.7-40.4176.400000111.5R202 D203 L208 C209 H210 Q211 T213R202-A206 WeakPolarHBondContact O-CB 3.25Å; R202-A206 PolarHBondContact O-N 2.93Å; D203-A206 PolarHBondContact O-N 3.15Å; A206-L208 VanDerWaalsContact C-N 3.34Å; A206-L208 PolarHBondContact O-N 3.4Å; A206-C209 CarbonylContact O-C 3.49Å; A206-C209 WeakPolarHBondContact O-CA 3.43Å; A206-C209 PolarHBondContact O-N 3.44Å; A206-H210 PolarHBondContact O-N 3.37Å; A206-Q211 CarbonylContact C-O 3.5Å; A206-Q211 VanDerWaalsContact C-O 3.25Å; A206-Q211 WeakPolarHBondContact CB-O 3.33Å; A206-Q211 PolarHBondContact O-N 3.48Å; A206-Q211 VanDerWaalsContact O-O 3.1Å; A206-T213 HydrophobicContact CB-CG2 3.52Å
207S73.8Confident67.8Low84 Ų8487.4 Ų87.459%0.58746%0.455SS*.Hα-helixtrans-59.7-41173.6-178.90000112.3D203 F204 C209 H210D203-S207 VanDerWaalsContact O-CB 3.31Å; D203-S207 WeakPolarHBondContact O-CB 3.47Å; D203-S207 PolarHBondContact O-N 2.94Å; F204-S207 WeakPolarHBondContact O-CB 3.29Å; F204-S207 PolarHBondContact O-N 3.44Å; S207-C209 PolarHBondContact O-N 3.32Å; S207-H210 PolarHBondContact O-N 2.93Å; S207-H210 VanDerWaalsContact O-N 3.13Å
208L77.3Confident65.4Low111 Ų11188.4 Ų88.458%0.58146%0.457SS*.Hα-helixtrans-62.4-29173.7-71.8174.2000113.1F204 L205 A206 H210F204-L208 HydrophobicContact CD1-CD1 4.09Å; F204-L208 HydrophobicContact CE1-CD1 3.6Å; F204-L208 HydrophobicContact CE1-CG 4.29Å; F204-L208 HydrophobicContact CZ-CD1 4.06Å; F204-L208 HydrophobicContact CZ-CD2 4.49Å; F204-L208 HydrophobicContact CZ-CG 4.38Å; F204-L208 WeakPolarHBondContact O-CG 3.42Å; F204-L208 PolarHBondContact O-N 3.15Å; L205-L208 HydrophobicContact CD2-CD1 4.43Å; L205-L208 PolarHBondContact O-N 2.81Å; A206-L208 VanDerWaalsContact C-N 3.34Å; A206-L208 PolarHBondContact O-N 3.4Å; L208-H210 VanDerWaalsContact C-N 3.32Å
209C75.9Confident63.1Low89 Ų8991.5 Ų91.560%0.60148%0.483SS*.THydrogen-bonded Turntrans-89.210.5177.6-67.60000113.6L205 A206 S207 Q211L205-C209 PolarHBondContact O-N 3.33Å; A206-C209 CarbonylContact O-C 3.49Å; A206-C209 WeakPolarHBondContact O-CA 3.43Å; A206-C209 PolarHBondContact O-N 3.44Å; S207-C209 PolarHBondContact O-N 3.32Å; C209-Q211 PolarHBondContact O-N 3.03Å
210H62.2Low61Low184 Ų18497.9 Ų97.985%0.85252%0.517SS*.THydrogen-bonded Turntrans55.617.6-171.7-64.3-79.3000114.5A206 S207 L208 S212A206-H210 PolarHBondContact O-N 3.37Å; S207-H210 PolarHBondContact O-N 2.93Å; S207-H210 VanDerWaalsContact O-N 3.13Å; L208-H210 VanDerWaalsContact C-N 3.32Å; H210-S212 PolarHBondContact O-N 3.17Å
211Q57.5Low59.1Low138 Ų13898 Ų9865%0.64552%0.519SS*.  trans-92.397.6171.8-76.5-178.9-20.800107.6A206 C209 T213A206-Q211 CarbonylContact C-O 3.5Å; A206-Q211 VanDerWaalsContact C-O 3.25Å; A206-Q211 WeakPolarHBondContact CB-O 3.33Å; A206-Q211 PolarHBondContact O-N 3.48Å; A206-Q211 VanDerWaalsContact O-O 3.1Å; C209-Q211 PolarHBondContact O-N 3.03Å; Q211-T213 PolarHBondContact O-N 2.92Å; Q211-T213 VanDerWaalsContact O-N 3.14Å
212S51.4Low56.8Low74 Ų74102.1 Ų102.152%0.51754%0.538SS..  trans-59.1113.9168.1167.20000109H210 N214H210-S212 PolarHBondContact O-N 3.17Å; S212-N214 PolarHBondContact O-N 2.91Å; S212-N214 WeakPolarHBondContact OG-CB 3.31Å; S212-N214 PolarHBondContact OG-N 2.67Å
213T51.6Low54.6Low40 Ų40109.3 Ų109.325%0.24558%0.577CS.*SBendtrans-75.83.3168.347.50000112.4D203 A206 Q211 I215D203-T213 WeakPolarHBondContact OD1-CB 3.45Å; D203-T213 PolarHBondContact OD1-OG1 3.02Å; A206-T213 HydrophobicContact CB-CG2 3.52Å; Q211-T213 PolarHBondContact O-N 2.92Å; Q211-T213 VanDerWaalsContact O-N 3.14Å; T213-I215 PolarHBondContact O-N 2.74Å; T213-I215 VanDerWaalsContact O-N 3.11Å
214N44.2Very low52.5Low109 Ų109110.2 Ų110.258%0.58359%0.59SS**G310 helixtrans-77.519.9177.3-65.8-27.3000114S212 W216 Y217S212-N214 PolarHBondContact O-N 2.91Å; S212-N214 WeakPolarHBondContact OG-CB 3.31Å; S212-N214 PolarHBondContact OG-N 2.67Å; N214-W216 PolarHBondContact O-N 3.08Å; N214-Y217 CarbonylContact O-C 3.49Å; N214-Y217 PolarHBondContact O-N 3.29Å
215I42.6Very low50.2Low150 Ų150115.4 Ų115.477%0.76961%0.608SS**G310 helixtrans-58.8-11.7177.2-66.4171.4000112.6T213T213-I215 PolarHBondContact O-N 2.74Å; T213-I215 VanDerWaalsContact O-N 3.11Å
216W41.2Very low47.7Very low139 Ų139118.7 Ų118.753%0.52763%0.625SS.*G310 helixtrans-100.2-11.8178.9-71.585.3000116V39 S109 N214V39-W216 HydrophobicContact CG2-CH2 3.8Å; S109-W216 PolarHBondContact OG-NE1 3.35Å; N214-W216 PolarHBondContact O-N 3.08Å
217Y39.3Very low45.7Very low117 Ų117126.5 Ų126.546%0.45966%0.661SS.*SBendtrans-134.8110173.8-86.4-100.6000105.5E52 N214E52-Y217 HydrophobicContact CG-CE1 4.38Å; E52-Y217 VanDerWaalsContact OE1-CD1 3.26Å; E52-Y217 WeakPolarHBondContact OE1-CD1 3.35Å; E52-Y217 WeakPolarHBondContact OE1-CE1 3.29Å; E52-Y217 VanDerWaalsContact OE2-CE1 3.29Å; E52-Y217 WeakPolarHBondContact OE2-CE1 3.22Å; E52-Y217 PolarHBondContact OE2-OH 3.49Å; N214-Y217 CarbonylContact O-C 3.49Å; N214-Y217 PolarHBondContact O-N 3.29Å
218D34.3Very low43.5Very low102 Ų102129.5 Ų129.555%0.54567%0.67SS.*  trans112.185.8165.5-161.316.2000115.7N220 D221D218-N220 PolarHBondContact OD1-N 3.43Å; D218-D221 WeakPolarHBondContact OD1-CB 3.48Å; D218-D221 PolarHBondContact OD1-N 3.31Å; D218-D221 VanDerWaalsContact OD2-CB 3.29Å; D218-D221 WeakPolarHBondContact OD2-CB 3.36Å
219S36.9Very low41.2Very low119 Ų119131.1 Ų131.183%0.83268%0.68SS**SBendtrans-111.329.5151.276.40000110.6
220N36.6Very low39Very low138 Ų138132.1 Ų132.174%0.73869%0.688SS**  trans-146.214-174.1-102.90.2000116.8D218D218-N220 PolarHBondContact OD1-N 3.43Å
221D40.7Very low37.5Very low104 Ų104130 Ų13056%0.55669%0.688SS**  trans-100.859.3165.2-67.7-22000110.5D218 I223D218-D221 WeakPolarHBondContact OD1-CB 3.48Å; D218-D221 PolarHBondContact OD1-N 3.31Å; D218-D221 VanDerWaalsContact OD2-CB 3.29Å; D218-D221 WeakPolarHBondContact OD2-CB 3.36Å; D221-I223 PolarHBondContact O-N 3.26Å
222D35.4Very low36.4Very low149 Ų149130 Ų13080%0.79770%0.697SS**THydrogen-bonded Turn-58.6119.7127.9-77.1-32.7000105.4
223I35Very low35.6Very low169 Ų169132.4 Ų132.487%0.86771%0.709SS**THydrogen-bonded Turntrans112.825.2166.3-47.8150.4000117.9D221D221-I223 PolarHBondContact O-N 3.26Å
224A32.5Very low34.8Very low64 Ų64137.5 Ų137.553%0.52973%0.734SS.*  trans-129.53.7172.600000118.8L226A224-L226 PolarHBondContact O-N 3.45Å
225Y31Very low34.3Very low237 Ų237139.3 Ų139.393%0.92974%0.744SS**  trans-86.532.4169.3-81.7-82.2000114.3M227Y225-M227 VanDerWaalsContact C-N 3.25Å; Y225-M227 PolarHBondContact O-N 3.35Å
226L27.6Very low33.8Very low161 Ų161136.7 Ų136.784%0.84374%0.737SS**  trans-86.468.2159.3-100.3162.6000109.3A224A224-L226 PolarHBondContact O-N 3.45Å
227M32.5Very low33.4Very low178 Ų178137.9 Ų137.988%0.87775%0.752SS**  trans-137.271.9154.6-102.3-165.316100109.5Y225 N229Y225-M227 VanDerWaalsContact C-N 3.25Å; Y225-M227 PolarHBondContact O-N 3.35Å; M227-N229 PolarHBondContact O-N 3.25Å
228D28.2Very low33.2Very low147 Ų147137.3 Ų137.379%0.78677%0.765SS**  trans-3.589.5133.9-153.815.9000114.8
229N28.7Very low33.4Very low146 Ų146143.5 Ų143.578%0.78178%0.781SS**  trans178.6138.6139.8-98.9-41.8000109.7M227M227-N229 PolarHBondContact O-N 3.25Å
230S29Very low33.3Very low110 Ų110146.8 Ų146.877%0.76978%0.783SS**SBendtrans72.571.6167.359.60000117.7
231T31.1Very low33.2Very low138 Ų138145.4 Ų145.485%0.84778%0.784SS**  trans-17298.613719.30000110.2
232T35.5Very low33.2Very low138 Ų138145.9 Ų145.985%0.84780%0.796SS**  trans17974.8142.5270000107.8
233T33.6Very low33.3Very low125 Ų125143.8 Ų143.877%0.76779%0.793SS**  trans-54.6135.1146.240.60000109.2
234L35.1Very low33.5Very low147 Ų147140.9 Ų140.977%0.7779%0.794SS**  trans80.9117.4170.8-51.3140000112.7
235D33Very low33.8Very low147 Ų147141.6 Ų141.679%0.78681%0.808SS**  cis-154.6156.731.5-96.7-35.7000112.3
236P31.9Very low34.2Very low96 Ų96136.4 Ų136.462%0.62380%0.8SS**  trans-89.8154-170.837.3-33.3000112.8
237I33.8Very low34.7Very low163 Ų163137.2 Ų137.284%0.83680%0.799SS**  trans54.893.9149.5-54.1158.5000114.7
238S35.8Very low34.8Very low106 Ų106139.4 Ų139.474%0.74181%0.814SS**  trans-175144.8132.553.30000111.7
239R36.9Very low35.1Very low232 Ų232139 Ų13988%0.87582%0.816SS**  trans86.860.9163.7-61.4176.8177.7176.9-0.8117.1
240Q34.9Very low35.4Very low187 Ų187138.6 Ų138.687%0.87482%0.818SS**  -53.7146.6121.2-83.9177.6-19.400110.1
241S35.9Very low35.8Very low109 Ų109140.2 Ų140.276%0.76282%0.82SS**  trans101.5139.7163.877.80000117.9
242S39.9Very low36.1Very low115 Ų115140.4 Ų140.480%0.80482%0.819SS**  trans78.1131.3176.272.50000116.5
243S37.3Very low36.1Very low105 Ų105140.5 Ų140.573%0.73482%0.817SS**  cis178.8142.5-23.843.30000105.2
244A38.4Very low36.3Very low108 Ų108141.5 Ų141.589%0.89382%0.82SS**  trans52.6121142.400000119.8
245G39.3Very low36.4Very low79 Ų79141.1 Ų141.181%0.81482%0.824SS**  trans177.854.9164.100000113.8
246V39.1Very low36.6Very low127 Ų127140.7 Ų140.777%0.7783%0.827SS**  trans-63.5136.6163.51690000108.5
247H37.9Very low37Very low179 Ų179144.4 Ų144.483%0.82984%0.844SS**  -169.1124.7126-110.2-74.5000113.2
248N35Very low37.3Very low223 Ų223142.7 Ų142.7100%1.19384%0.844SS**  trans-58.30140.9-78.8-19.4000110.1

Retrieved 248 of 248 residues in 225.2 ms (Link to these results)

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