A0A024R4B2_HUMAN Loading...

Serine/threonine-protein kinase 25

AlphaFold DB (O00506), UniProt , Accession A0A024R4B2, Species HUMAN (Homo sapiens, Human), Gene STK25, Length 426 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
1M45.9Very low52.5Low200 Ų200103.5 Ų103.599%0.98554%0.544SS*.  0-46.50-78.1-136.1-155.600115.3H3 L4M1-H3 VanDerWaalsContact C-N 3.29Å; M1-H3 PolarHBondContact O-N 2.74Å; M1-L4 WeakPolarHBondContact O-CB 3.25Å; M1-L4 PolarHBondContact O-N 2.95Å
2A52.2Low52.7Low78 Ų78100.3 Ų100.365%0.64554%0.537SS*.G310 helixtrans-60.3-36.7-177.900000113.3L4 R5A2-L4 VanDerWaalsContact C-N 3.26Å; A2-L4 PolarHBondContact O-N 2.78Å; A2-R5 PolarHBondContact O-N 3.25Å
3H52.6Low53.8Low119 Ų119111.2 Ų111.255%0.55157%0.566SS**G310 helixtrans-63.1-26.2177.8-56.6-75.7000114M1 R5 G6 I60M1-H3 VanDerWaalsContact C-N 3.29Å; M1-H3 PolarHBondContact O-N 2.74Å; H3-R5 PolarHBondContact O-N 3.35Å; H3-G6 PolarHBondContact O-N 2.69Å; H3-I60 HydrophobicContact CB-CD1 4.02Å
4L51.8Low55.9Low40 Ų40107.1 Ų107.121%0.20955%0.549CS..G310 helixtrans-68.5-20.4-178.9-62.5175.6000113.3M1 A2 G6 F7 L53 L86M1-L4 WeakPolarHBondContact O-CB 3.25Å; M1-L4 PolarHBondContact O-N 2.95Å; A2-L4 VanDerWaalsContact C-N 3.26Å; A2-L4 PolarHBondContact O-N 2.78Å; L4-G6 PolarHBondContact O-N 3.49Å; L4-F7 PolarHBondContact O-N 2.99Å; L4-L53 HydrophobicContact CD2-CB 4.18Å; L4-L53 HydrophobicContact CD2-CD1 3.39Å; L4-L53 HydrophobicContact CD2-CG 4.45Å; L4-L86 HydrophobicContact CB-CD2 3.92Å; L4-L86 HydrophobicContact CD1-CD2 4.31Å; L4-L86 HydrophobicContact CD2-CD1 4.25Å; L4-L86 HydrophobicContact CD2-CD2 4.24Å; L4-L86 HydrophobicContact CG-CD2 4.38Å
5R52.9Low58.2Low210 Ų210103.7 Ų103.779%0.79253%0.532SS*.G310 helixtrans-65.4-25.2-178.9-66.6-172.4-172.9-164.73.6112.9A2 H3 F7 A8A2-R5 PolarHBondContact O-N 3.25Å; H3-R5 PolarHBondContact O-N 3.35Å; R5-F7 VanDerWaalsContact C-N 3.34Å; R5-A8 PolarHBondContact O-N 3.46Å
6G56.6Low60.5Low49 Ų4997.3 Ų97.351%0.50550%0.499SS..G310 helixtrans-70.3-27.5179.400000113.8H3 L4 A8H3-G6 PolarHBondContact O-N 2.69Å; L4-G6 PolarHBondContact O-N 3.49Å; G6-A8 VanDerWaalsContact C-N 3.34Å
7F59.5Low62.5Low12 Ų1297.5 Ų97.55%0.05350%0.498CS..G310 helixtrans-84-10.2177.7-65.6-72.9000113.7L4 R5 N9 L53 I60 I63 Q64 I67 L91L4-F7 PolarHBondContact O-N 2.99Å; R5-F7 VanDerWaalsContact C-N 3.34Å; F7-N9 PolarHBondContact O-N 3.23Å; F7-L53 HydrophobicContact CD2-CD1 3.73Å; F7-L53 HydrophobicContact CE2-CD1 3.76Å; F7-L53 HydrophobicContact CE2-CD2 3.85Å; F7-L53 HydrophobicContact CE2-CG 4.46Å; F7-L53 HydrophobicContact CG-CD1 4.45Å; F7-L53 HydrophobicContact CZ-CD2 3.88Å; F7-I60 HydrophobicContact CE2-CG1 4.44Å; F7-I60 HydrophobicContact CE2-CG2 3.69Å; F7-I60 HydrophobicContact CZ-CG2 3.87Å; F7-I63 HydrophobicContact CE1-CB 4.34Å; F7-I63 HydrophobicContact CE1-CG2 3.82Å; F7-I63 HydrophobicContact CZ-CB 4.32Å; F7-I63 HydrophobicContact CZ-CG2 4.14Å; F7-Q64 HydrophobicContact CD1-CG 3.78Å; F7-Q64 HydrophobicContact CE1-CB 4.25Å; F7-Q64 HydrophobicContact CE1-CG 3.2Å; F7-Q64 HydrophobicContact CE2-CG 4.07Å; F7-Q64 HydrophobicContact CG-CG 4.43Å; F7-Q64 HydrophobicContact CZ-CG 3.39Å; F7-I67 HydrophobicContact CD1-CD1 4.19Å; F7-I67 HydrophobicContact CE1-CD1 4.18Å; F7-L91 HydrophobicContact CB-CD1 4.11Å; F7-L91 HydrophobicContact CD1-CD1 4.2Å; F7-L91 HydrophobicContact CD1-CD2 3.48Å; F7-L91 VanDerWaalsContact CD1-CD2 3.48Å; F7-L91 HydrophobicContact CD1-CG 4.5Å; F7-L91 HydrophobicContact CE1-CD2 3.52Å; F7-L91 HydrophobicContact CG-CD1 4.3Å; F7-L91 HydrophobicContact CG-CD2 4.15Å; F7-L91 HydrophobicContact CZ-CD2 4.22Å
8A47.5Very low64.3Low45 Ų4599.7 Ų99.737%0.37251%0.505SS..  trans-7762.6-177.200000111.5R5 G6R5-A8 PolarHBondContact O-N 3.46Å; G6-A8 VanDerWaalsContact C-N 3.34Å
9N49.2Very low65.9Low115 Ų11597.3 Ų97.362%0.61549%0.494SS*.  trans-94.2134.2164.5-102.3-22000111.2F7 H11F7-N9 PolarHBondContact O-N 3.23Å; N9-H11 PolarHBondContact O-N 3.3Å
10Q54.5Low67.5Low172 Ų17292.8 Ų92.880%0.80447%0.471SS*.SBendtrans59.7-33.4167-64.3-177.4-2.300121.1
11H54.6Low69Low99 Ų9991.5 Ų91.546%0.45847%0.467SS..  trans-138.423.9-177.3-65.2-67.1000116.6N9 R13 V14 Y85N9-H11 PolarHBondContact O-N 3.3Å; H11-R13 PolarHBondContact O-N 2.82Å; H11-V14 PolarHBondContact O-N 2.8Å; H11-Y85 HydrophobicContact CB-CD1 3.81Å; H11-Y85 HydrophobicContact CB-CE1 3.35Å
12S55.4Low71.4Confident65 Ų6586 Ų8646%0.45544%0.438SS..THydrogen-bonded Turntrans-56.93.2-171.664.90000118.8
13R66.4Low73.5Confident241 Ų24185.7 Ų85.791%0.90943%0.425SS*.THydrogen-bonded Turntrans-114.9-7.2-178.7-72.6-171.9173-174.9-1.7115.1H11H11-R13 PolarHBondContact O-N 2.82Å
14V83.5Confident75.5Confident55 Ų5585.9 Ų85.933%0.33343%0.43SS..SBendtrans-100.3132.4179.3-171.20000108.5H11 P16 L19H11-V14 PolarHBondContact O-N 2.8Å; V14-P16 WeakPolarHBondContact O-CD 3.32Å; V14-L19 HydrophobicContact CB-CD1 4.1Å; V14-L19 HydrophobicContact CG1-CD1 3.73Å; V14-L19 HydrophobicContact CG1-CD2 4.01Å; V14-L19 HydrophobicContact CG1-CG 3.7Å
15D91.1Very high77.5Confident56 Ų5688.6 Ų88.630%0.29944%0.438SS..  trans-63.1119.3172-174.7-19.5000108.2E17 E18 K87D15-E17 PolarHBondContact O-N 3.36Å; D15-E17 VanDerWaalsContact O-N 3.1Å; D15-E17 PolarHBondContact OD1-N 2.77Å; D15-E18 HydrophobicContact CB-CG 4.08Å; D15-E18 WeakPolarHBondContact O-CB 3.22Å; D15-E18 PolarHBondContact O-N 2.98Å; D15-K87 WeakPolarHBondContact OD1-CD 3.45Å; D15-K87 WeakPolarHBondContact OD1-CE 3.36Å; D15-K87 IonicContact OD1-NZ 2.74Å; D15-K87 PolarHBondContact OD1-NZ 2.89Å; D15-K87 WeakPolarHBondContact OD2-CE 3.14Å; D15-K87 IonicContact OD2-NZ 2.87Å; D15-K87 PolarHBondContact OD2-NZ 2.93Å
16P94.4Very high79.4Confident0 Ų082.3 Ų82.30%042%0.419CS..Hα-helixtrans-58.8-23.6-18022.4-32.6000113.1V14 E18 L19 F20 Y85 K87 W92V14-P16 WeakPolarHBondContact O-CD 3.32Å; P16-E18 VanDerWaalsContact C-N 3.29Å; P16-E18 PolarHBondContact O-N 3.46Å; P16-L19 CarbonylContact O-C 3.18Å; P16-L19 PolarHBondContact O-N 3.1Å; P16-L19 VanDerWaalsContact O-N 3.15Å; P16-F20 HydrophobicContact CB-CD2 4.37Å; P16-F20 WeakPolarHBondContact O-CD2 3.48Å; P16-F20 PolarHBondContact O-N 2.74Å; P16-Y85 HydrophobicContact CB-CG 4.11Å; P16-K87 HydrophobicContact CG-CB 3.84Å; P16-K87 HydrophobicContact CG-CD 4.33Å; P16-W92 HydrophobicContact CB-CB 4.36Å; P16-W92 HydrophobicContact CB-CD2 3.85Å; P16-W92 HydrophobicContact CB-CE3 3.86Å; P16-W92 HydrophobicContact CB-CG 4.07Å; P16-W92 HydrophobicContact CB-CZ3 4.46Å; P16-W92 HydrophobicContact CG-CB 4.41Å; P16-W92 HydrophobicContact CG-CD2 3.75Å; P16-W92 HydrophobicContact CG-CE3 4.23Å; P16-W92 HydrophobicContact CG-CG 3.8Å
17E94.7Very high80.8Confident101 Ų10181.3 Ų81.347%0.47241%0.408SS..Hα-helixtrans-73.4-19.6176.2-71.5-177.5173.200113.4D15 L19 K87 W92D15-E17 PolarHBondContact O-N 3.36Å; D15-E17 VanDerWaalsContact O-N 3.1Å; D15-E17 PolarHBondContact OD1-N 2.77Å; E17-L19 VanDerWaalsContact C-N 3.3Å; E17-K87 HydrophobicContact CG-CD 4.47Å; E17-K87 IonicContact OE1-NZ 3.36Å; E17-K87 IonicContact OE2-NZ 3.7Å; E17-K87 PolarHBondContact OE2-NZ 3.15Å; E17-W92 HydrophobicContact CG-CH2 3.6Å; E17-W92 HydrophobicContact CG-CZ2 3.89Å; E17-W92 HydrophobicContact CG-CZ3 4.45Å
18E94.2Very high82Confident137 Ų13784.6 Ų84.664%0.6442%0.423SS*.Hα-helixtrans-71.8-31.6168.8-67.2179.4176.300110.9D15 P16 N40D15-E18 HydrophobicContact CB-CG 4.08Å; D15-E18 WeakPolarHBondContact O-CB 3.22Å; D15-E18 PolarHBondContact O-N 2.98Å; P16-E18 VanDerWaalsContact C-N 3.29Å; P16-E18 PolarHBondContact O-N 3.46Å; E18-N40 PolarHBondContact O-ND2 2.88Å
19L96Very high83.1Confident55 Ų5583.2 Ų83.229%0.28841%0.413SS..Hα-helixtrans-91.1-33.1-176.9-61.2179.8000113.3V14 P16 E17 N40 Y85V14-L19 HydrophobicContact CB-CD1 4.1Å; V14-L19 HydrophobicContact CG1-CD1 3.73Å; V14-L19 HydrophobicContact CG1-CD2 4.01Å; V14-L19 HydrophobicContact CG1-CG 3.7Å; P16-L19 CarbonylContact O-C 3.18Å; P16-L19 PolarHBondContact O-N 3.1Å; P16-L19 VanDerWaalsContact O-N 3.15Å; E17-L19 VanDerWaalsContact C-N 3.3Å; L19-N40 WeakPolarHBondContact O-CB 3.36Å; L19-N40 PolarHBondContact O-N 2.97Å; L19-N40 PolarHBondContact O-ND2 2.8Å; L19-Y85 HydrophobicContact CD1-CD1 4.19Å; L19-Y85 HydrophobicContact CD1-CE1 3.52Å
20F97.6Very high84.1Confident7 Ų781.9 Ų81.93%0.03141%0.412CS..EExtended strand (participates in β ladder)trans-131.1130.8-171.9-55.4-78.3000111.5P16 I38 D39 N40 V46 I48 Y85 I94P16-F20 HydrophobicContact CB-CD2 4.37Å; P16-F20 WeakPolarHBondContact O-CD2 3.48Å; P16-F20 PolarHBondContact O-N 2.74Å; F20-I38 CarbonylContact C-O 3.59Å; F20-I38 VanDerWaalsContact CA-O 3.28Å; F20-I38 WeakPolarHBondContact CA-O 3.37Å; F20-D39 HydrophobicContact CD1-CB 4.06Å; F20-D39 HydrophobicContact CE1-CB 3.91Å; F20-N40 PolarHBondContact N-ND2 2.66Å; F20-V46 HydrophobicContact CD1-CG2 4.1Å; F20-I48 HydrophobicContact CB-CD1 3.96Å; F20-Y85 HydrophobicContact CE2-CD2 4.1Å; F20-Y85 HydrophobicContact CE2-CE1 4.46Å; F20-Y85 AromaticContact CE2-CE2 3.56Å; F20-Y85 HydrophobicContact CE2-CE2 3.56Å; F20-Y85 AromaticContact CE2-CZ 3.77Å; F20-Y85 HydrophobicContact CZ-CE2 4.03Å; F20-I94 HydrophobicContact CD1-CD1 4.46Å; F20-I94 HydrophobicContact CD1-CG2 4.22Å; F20-I94 HydrophobicContact CD2-CD1 3.87Å; F20-I94 HydrophobicContact CD2-CG1 4.14Å; F20-I94 HydrophobicContact CE1-CG1 4.3Å; F20-I94 HydrophobicContact CE1-CG2 3.69Å; F20-I94 HydrophobicContact CE2-CD1 3.99Å; F20-I94 HydrophobicContact CE2-CG1 3.72Å; F20-I94 HydrophobicContact CG-CD1 4.14Å; F20-I94 HydrophobicContact CZ-CB 4.34Å; F20-I94 HydrophobicContact CZ-CD1 4.34Å; F20-I94 HydrophobicContact CZ-CG1 3.81Å; F20-I94 HydrophobicContact CZ-CG2 3.92Å
21T97.8Very high85.2Confident65 Ų6575.1 Ų75.140%0.39938%0.38SS..EExtended strand (participates in β ladder)trans-89.4112.5169.3-60.70000109.3L23 G37 I38 N40T21-L23 HydrophobicContact CG2-CD2 4.13Å; T21-G37 CarbonylContact O-C 3.48Å; T21-G37 WeakPolarHBondContact O-CA 3.43Å; T21-I38 PolarHBondContact N-O 3.24Å; T21-I38 PolarHBondContact O-N 3.18Å; T21-N40 PolarHBondContact N-OD1 2.9Å; T21-N40 PolarHBondContact OG1-OD1 2.94Å
22K96.9Very high86.7Confident86 Ų8671.1 Ų71.137%0.37437%0.366SS..EExtended strand (participates in β ladder)trans-73.4131.6173.7-168.9176.772.6168.30110.5Y35 I50 W92K22-Y35 HydrophobicContact CD-CD1 3.77Å; K22-Y35 HydrophobicContact CD-CD2 3.99Å; K22-Y35 HydrophobicContact CD-CE1 4.05Å; K22-Y35 HydrophobicContact CD-CE2 4.27Å; K22-Y35 HydrophobicContact CD-CG 3.73Å; K22-Y35 HydrophobicContact CG-CD1 3.85Å; K22-Y35 HydrophobicContact CG-CG 3.82Å; K22-I50 HydrophobicContact CD-CD1 3.63Å; K22-W92 HydrophobicContact CB-CH2 4.37Å; K22-W92 HydrophobicContact CD-CH2 4.32Å
23L96.7Very high88.4Confident71 Ų7171.4 Ų71.437%0.37236%0.361SS..EExtended strand (participates in β ladder)trans-112.1-143.4177.8-55.9178.5000109.9T21 K36 I38T21-L23 HydrophobicContact CG2-CD2 4.13Å; L23-K36 WeakPolarHBondContact CA-O 3.39Å; L23-K36 HydrophobicContact CB-CB 4.35Å; L23-K36 WeakPolarHBondContact CB-O 3.42Å; L23-K36 HydrophobicContact CD1-CD 4.41Å; L23-K36 HydrophobicContact CD1-CG 4.29Å; L23-K36 PolarHBondContact N-O 2.81Å; L23-I38 HydrophobicContact CD1-CD1 4.21Å; L23-I38 HydrophobicContact CD1-CG1 3.89Å; L23-I38 HydrophobicContact CG-CG1 4.49Å
24D93.7Very high89.8Confident123 Ų12361 Ų6166%0.65832%0.324SS*.EExtended strand (participates in β ladder)trans-66146.7-177.9-51.9-53.1000112.5I26 Y35 K36D24-I26 PolarHBondContact O-N 2.92Å; D24-Y35 WeakPolarHBondContact O-CA 3.4Å; D24-K36 PolarHBondContact O-N 2.82Å
25R95.1Very high90.4Very high97 Ų9760 Ų6037%0.36631%0.314SS..EExtended strand (participates in β ladder)trans-66.5130.7168.2-176.9177.1161-141.3-8.9108.8G27 E33 Y35 S300R25-G27 PolarHBondContact NE-O 2.93Å; R25-E33 IonicContact CZ-OE1 3.84Å; R25-E33 IonicContact NE-OE1 3.86Å; R25-E33 PolarHBondContact NE-OE1 3.03Å; R25-E33 IonicContact NH1-OE1 2.67Å; R25-Y35 HydrophobicContact CB-CD1 3.92Å; R25-Y35 HydrophobicContact CB-CE1 3.79Å; R25-Y35 HydrophobicContact CG-CE1 4.36Å; R25-S300 PolarHBondContact NH2-O 2.74Å
26I91.9Very high90.8Very high78 Ų7860.3 Ų60.340%0.431%0.313SS..EExtended strand (participates in β ladder)trans-113.7-15.3-179.360174.5000113.3D24 V34 K36 A47 Y97D24-I26 PolarHBondContact O-N 2.92Å; I26-V34 HydrophobicContact CD1-CG1 3.91Å; I26-V34 HydrophobicContact CG1-CB 4.17Å; I26-V34 HydrophobicContact CG1-CG1 3.85Å; I26-V34 WeakPolarHBondContact CG1-O 3.48Å; I26-V34 PolarHBondContact N-O 2.9Å; I26-K36 HydrophobicContact CG2-CB 3.81Å; I26-A47 HydrophobicContact CD1-CB 4.4Å; I26-Y97 HydrophobicContact CD1-CD2 3.97Å; I26-Y97 HydrophobicContact CD1-CE2 3.67Å
27G87.2Confident90.9Very high27 Ų2760.3 Ų60.328%0.27831%0.313SS..EExtended strand (participates in β ladder)trans-171.4173.4177.200000113.9R25 V34R25-G27 PolarHBondContact NE-O 2.93Å; G27-V34 PolarHBondContact N-O 2.87Å; G27-V34 VanDerWaalsContact N-O 3.12Å; G27-V34 PolarHBondContact O-N 2.82Å
28K83.3Confident91.1Very high81 Ų8157.4 Ų57.435%0.35230%0.3SS..EExtended strand (participates in β ladder)trans-116.9128.8164.5-164.8-179.8171.7-164.90106.3D305K28-D305 IonicContact NZ-OD1 3.72Å; K28-D305 PolarHBondContact NZ-OD1 2.65Å; K28-D305 IonicContact NZ-OD2 3.84Å; K28-D305 PolarHBondContact NZ-OD2 2.78Å
29G71.8Confident91.3Very high16 Ų1652.5 Ų52.517%0.16528%0.278CS..EExtended strand (participates in β ladder)trans-100.1-178.5168.900000110.5F31 G32G29-F31 VanDerWaalsContact C-N 3.26Å; G29-F31 PolarHBondContact O-N 2.97Å; G29-G32 PolarHBondContact N-O 2.89Å
30S70Confident91.3Very high87 Ų8752 Ų5261%0.60828%0.276SS*.THydrogen-bonded Turntrans-57.5-34.5-179.549.90000114.5
31F77.3Confident91.2Very high30 Ų3059.7 Ų59.713%0.13231%0.312CS..THydrogen-bonded Turntrans-114.9-2.1-172.7-52.2-64.8000113.6G29 I51 E59 D62 I63 E66G29-F31 VanDerWaalsContact C-N 3.26Å; G29-F31 PolarHBondContact O-N 2.97Å; F31-I51 HydrophobicContact CB-CD1 3.77Å; F31-I51 HydrophobicContact CB-CG1 3.94Å; F31-I51 HydrophobicContact CB-CG2 4.14Å; F31-I51 WeakPolarHBondContact O-CG2 3.27Å; F31-E59 HydrophobicContact CD1-CB 4.1Å; F31-E59 HydrophobicContact CD1-CG 4.38Å; F31-E59 HydrophobicContact CE1-CB 3.84Å; F31-E59 HydrophobicContact CE1-CG 4.02Å; F31-D62 HydrophobicContact CZ-CB 4.42Å; F31-I63 HydrophobicContact CB-CD1 4.29Å; F31-I63 HydrophobicContact CB-CG1 4.21Å; F31-I63 HydrophobicContact CD1-CD1 4.29Å; F31-I63 HydrophobicContact CD1-CG1 3.99Å; F31-I63 HydrophobicContact CD2-CG1 3.95Å; F31-I63 HydrophobicContact CE1-CG1 4.35Å; F31-I63 HydrophobicContact CE2-CG1 4.33Å; F31-I63 HydrophobicContact CG-CD1 4.24Å; F31-I63 HydrophobicContact CG-CG1 3.78Å; F31-E66 VanDerWaalsContact CE2-OE2 3.23Å; F31-E66 WeakPolarHBondContact CE2-OE2 3.42Å
32G85.5Confident91.2Very high16 Ų1659.8 Ų59.817%0.16531%0.312CS..EExtended strand (participates in β ladder)trans172.3-169.7-171.800000114.7G29 I50G29-G32 PolarHBondContact N-O 2.89Å; G32-I50 WeakPolarHBondContact CA-O 3.41Å
33E92.3Very high91.2Very high71 Ų7162.6 Ų62.633%0.33232%0.324SS..EExtended strand (participates in β ladder)trans-103.3142.6-173.5-65.1-177128.100111.2R25 Y35 K49 I50R25-E33 IonicContact CZ-OE1 3.84Å; R25-E33 IonicContact NE-OE1 3.86Å; R25-E33 PolarHBondContact NE-OE1 3.03Å; R25-E33 IonicContact NH1-OE1 2.67Å; E33-Y35 HydrophobicContact CB-CD2 4.25Å; E33-Y35 HydrophobicContact CB-CE2 3.48Å; E33-Y35 VanDerWaalsContact CB-CE2 3.48Å; E33-Y35 PolarHBondContact OE2-OH 2.82Å; E33-K49 CarbonylContact O-C 3.59Å; E33-K49 WeakPolarHBondContact O-CA 3.32Å; E33-I50 PolarHBondContact N-O 2.79Å; E33-I50 PolarHBondContact O-N 3.07Å
34V94.7Very high91.2Very high22 Ų2264.7 Ų64.713%0.13333%0.332CS..EExtended strand (participates in β ladder)trans-108.1128.1177.5-168.30000109I26 G27 A47 I48 K49I26-V34 HydrophobicContact CD1-CG1 3.91Å; I26-V34 HydrophobicContact CG1-CB 4.17Å; I26-V34 HydrophobicContact CG1-CG1 3.85Å; I26-V34 WeakPolarHBondContact CG1-O 3.48Å; I26-V34 PolarHBondContact N-O 2.9Å; G27-V34 PolarHBondContact N-O 2.87Å; G27-V34 VanDerWaalsContact N-O 3.12Å; G27-V34 PolarHBondContact O-N 2.82Å; V34-A47 HydrophobicContact CG1-CB 4.33Å; V34-I48 WeakPolarHBondContact CA-O 3.41Å; V34-K49 HydrophobicContact CG2-CB 4.22Å; V34-K49 HydrophobicContact CG2-CG 4.17Å
35Y97.3Very high91.4Very high33 Ų3361.7 Ų61.713%0.12932%0.318CS..EExtended strand (participates in β ladder)trans-117.3148.5179.9-64.1-97000110.6K22 D24 R25 E33 A47 I48 I50K22-Y35 HydrophobicContact CD-CD1 3.77Å; K22-Y35 HydrophobicContact CD-CD2 3.99Å; K22-Y35 HydrophobicContact CD-CE1 4.05Å; K22-Y35 HydrophobicContact CD-CE2 4.27Å; K22-Y35 HydrophobicContact CD-CG 3.73Å; K22-Y35 HydrophobicContact CG-CD1 3.85Å; K22-Y35 HydrophobicContact CG-CG 3.82Å; D24-Y35 WeakPolarHBondContact O-CA 3.4Å; R25-Y35 HydrophobicContact CB-CD1 3.92Å; R25-Y35 HydrophobicContact CB-CE1 3.79Å; R25-Y35 HydrophobicContact CG-CE1 4.36Å; E33-Y35 HydrophobicContact CB-CD2 4.25Å; E33-Y35 HydrophobicContact CB-CE2 3.48Å; E33-Y35 VanDerWaalsContact CB-CE2 3.48Å; E33-Y35 PolarHBondContact OE2-OH 2.82Å; Y35-A47 CarbonylContact O-C 3.59Å; Y35-A47 WeakPolarHBondContact O-CA 3.43Å; Y35-I48 PolarHBondContact N-O 3.41Å; Y35-I48 PolarHBondContact O-N 2.88Å; Y35-I50 HydrophobicContact CD2-CD1 3.9Å; Y35-I50 HydrophobicContact CD2-CG1 4.18Å; Y35-I50 HydrophobicContact CE2-CD1 3.99Å; Y35-I50 HydrophobicContact CE2-CG1 4.39Å
36K97.6Very high91.5Very high63 Ų6357.2 Ų57.227%0.27430%0.302SS..EExtended strand (participates in β ladder)trans-71.8146.1159.2-169.4177.2-175176.40108.2L23 D24 I26 V45 Y97L23-K36 WeakPolarHBondContact CA-O 3.39Å; L23-K36 HydrophobicContact CB-CB 4.35Å; L23-K36 WeakPolarHBondContact CB-O 3.42Å; L23-K36 HydrophobicContact CD1-CD 4.41Å; L23-K36 HydrophobicContact CD1-CG 4.29Å; L23-K36 PolarHBondContact N-O 2.81Å; D24-K36 PolarHBondContact O-N 2.82Å; I26-K36 HydrophobicContact CG2-CB 3.81Å; K36-V45 HydrophobicContact CD-CG1 4.27Å; K36-V45 VanDerWaalsContact CE-CG1 3.4Å; K36-V45 HydrophobicContact CG-CG1 3.86Å; K36-Y97 HydrophobicContact CD-CE1 4.42Å; K36-Y97 HydrophobicContact CD-CE2 4.4Å; K36-Y97 HydrophobicContact CG-CD2 4.42Å; K36-Y97 HydrophobicContact CG-CE2 4.19Å
37G98Very high91.7Very high0 Ų053.8 Ų53.80%029%0.285CS..EExtended strand (participates in β ladder)trans-149.9175.3175.100000112.8T21 V45 V46T21-G37 CarbonylContact O-C 3.48Å; T21-G37 WeakPolarHBondContact O-CA 3.43Å; G37-V45 WeakPolarHBondContact O-CA 3.12Å; G37-V46 PolarHBondContact N-O 2.88Å; G37-V46 PolarHBondContact O-N 3.2Å
38I98.3Very high92.2Very high41 Ų4152.5 Ų52.521%0.2127%0.272CS..EExtended strand (participates in β ladder)trans-124.3129.2175.2-56.6-64.4000108.4F20 T21 L23 N40 E44 V45F20-I38 CarbonylContact C-O 3.59Å; F20-I38 VanDerWaalsContact CA-O 3.28Å; F20-I38 WeakPolarHBondContact CA-O 3.37Å; T21-I38 PolarHBondContact N-O 3.24Å; T21-I38 PolarHBondContact O-N 3.18Å; L23-I38 HydrophobicContact CD1-CD1 4.21Å; L23-I38 HydrophobicContact CD1-CG1 3.89Å; L23-I38 HydrophobicContact CG-CG1 4.49Å; I38-N40 PolarHBondContact O-N 2.81Å; I38-E44 WeakPolarHBondContact CA-O 3.28Å; I38-V45 HydrophobicContact CD1-CB 4.39Å; I38-V45 HydrophobicContact CD1-CG2 3.81Å
39D97.8Very high92.7Very high33 Ų3348.7 Ų48.718%0.17626%0.255CS..EExtended strand (participates in β ladder)trans-69.3117.5164.1-178.7-45.1000108.8F20 H41 T42 K43 E44 V46F20-D39 HydrophobicContact CD1-CB 4.06Å; F20-D39 HydrophobicContact CE1-CB 3.91Å; D39-H41 PolarHBondContact O-N 3.32Å; D39-H41 WeakPolarHBondContact OD1-CA 3.43Å; D39-H41 WeakPolarHBondContact OD1-CB 3.5Å; D39-H41 PolarHBondContact OD1-N 2.84Å; D39-T42 WeakPolarHBondContact CB-OG1 3.4Å; D39-T42 VanDerWaalsContact CG-OG1 3.3Å; D39-T42 PolarHBondContact OD1-N 2.82Å; D39-K43 WeakPolarHBondContact O-CA 3.33Å; D39-K43 PolarHBondContact O-N 2.93Å; D39-E44 PolarHBondContact N-O 3.33Å; D39-V46 HydrophobicContact CB-CG1 4.36Å
40N97.3Very high93.8Very high45 Ų4548.7 Ų48.724%0.24125%0.251CS..THydrogen-bonded Turntrans-67.4-22.3-174.1-67.1-23.4000112.5E18 L19 F20 T21 I38 K43E18-N40 PolarHBondContact O-ND2 2.88Å; L19-N40 WeakPolarHBondContact O-CB 3.36Å; L19-N40 PolarHBondContact O-N 2.97Å; L19-N40 PolarHBondContact O-ND2 2.8Å; F20-N40 PolarHBondContact N-ND2 2.66Å; T21-N40 PolarHBondContact N-OD1 2.9Å; T21-N40 PolarHBondContact OG1-OD1 2.94Å; I38-N40 PolarHBondContact O-N 2.81Å; N40-K43 VanDerWaalsContact O-CE 3.25Å; N40-K43 WeakPolarHBondContact O-CE 3.33Å; N40-K43 PolarHBondContact O-NZ 2.81Å
41H95.2Very high94.9Very high169 Ų16944.6 Ų44.678%0.78222%0.222SC*.THydrogen-bonded Turntrans-86.4-55178.7-176.169.4000111.5D39D39-H41 PolarHBondContact O-N 3.32Å; D39-H41 WeakPolarHBondContact OD1-CA 3.43Å; D39-H41 WeakPolarHBondContact OD1-CB 3.5Å; D39-H41 PolarHBondContact OD1-N 2.84Å
42T96.6Very high95.6Very high66 Ų6644.7 Ų44.741%0.40522%0.224SC..THydrogen-bonded Turntrans-82.7-18.3-175.668.10000113.1D39 E44D39-T42 WeakPolarHBondContact CB-OG1 3.4Å; D39-T42 VanDerWaalsContact CG-OG1 3.3Å; D39-T42 PolarHBondContact OD1-N 2.82Å; T42-E44 PolarHBondContact O-N 2.86Å; T42-E44 WeakPolarHBondContact OG1-CB 3.4Å; T42-E44 WeakPolarHBondContact OG1-CG 3.31Å; T42-E44 PolarHBondContact OG1-N 2.92Å
43K97Very high95.7Very high145 Ų14544.2 Ų44.263%0.6322%0.218SC*.  trans62.715-170.5-51.5-53.8-172.7-1700113.8D39 N40D39-K43 WeakPolarHBondContact O-CA 3.33Å; D39-K43 PolarHBondContact O-N 2.93Å; N40-K43 VanDerWaalsContact O-CE 3.25Å; N40-K43 WeakPolarHBondContact O-CE 3.33Å; N40-K43 PolarHBondContact O-NZ 2.81Å
44E96.8Very high95.6Very high116 Ų11647.7 Ų47.754%0.54223%0.234SC..  trans-79.1149.6176.4-65.5-178.2145.400111.3I38 D39 T42I38-E44 WeakPolarHBondContact CA-O 3.28Å; D39-E44 PolarHBondContact N-O 3.33Å; T42-E44 PolarHBondContact O-N 2.86Å; T42-E44 WeakPolarHBondContact OG1-CB 3.4Å; T42-E44 WeakPolarHBondContact OG1-CG 3.31Å; T42-E44 PolarHBondContact OG1-N 2.92Å
45V97.7Very high95.2Very high60 Ų6054.8 Ų54.836%0.36427%0.266SS..EExtended strand (participates in β ladder)trans-79.8130.7174.4-174.60000109K36 G37 I38 Y97K36-V45 HydrophobicContact CD-CG1 4.27Å; K36-V45 VanDerWaalsContact CE-CG1 3.4Å; K36-V45 HydrophobicContact CG-CG1 3.86Å; G37-V45 WeakPolarHBondContact O-CA 3.12Å; I38-V45 HydrophobicContact CD1-CB 4.39Å; I38-V45 HydrophobicContact CD1-CG2 3.81Å; V45-Y97 HydrophobicContact CB-CD1 4.3Å; V45-Y97 HydrophobicContact CG1-CD1 3.46Å; V45-Y97 VanDerWaalsContact CG1-CD1 3.46Å; V45-Y97 HydrophobicContact CG1-CE1 4.11Å; V45-Y97 HydrophobicContact CG1-CG 3.71Å
46V97.8Very high94.7Very high2 Ų253.5 Ų53.51%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-125.5159.1179.8-61.20000110.8F20 G37 D39 I48 F82 I94F20-V46 HydrophobicContact CD1-CG2 4.1Å; G37-V46 PolarHBondContact N-O 2.88Å; G37-V46 PolarHBondContact O-N 3.2Å; D39-V46 HydrophobicContact CB-CG1 4.36Å; V46-I48 HydrophobicContact CG2-CD1 4.25Å; V46-I48 HydrophobicContact CG2-CG1 3.91Å; V46-F82 HydrophobicContact CG1-CD2 4.02Å; V46-F82 HydrophobicContact CG1-CE2 3.94Å; V46-I94 HydrophobicContact CB-CG2 3.97Å; V46-I94 HydrophobicContact CG1-CG2 4.14Å; V46-I94 HydrophobicContact CG2-CG2 4.1Å
47A97.1Very high93.9Very high6 Ų656.5 Ų56.55%0.0528%0.277CS..EExtended strand (participates in β ladder)trans-98.5136.6163.400000109I26 V34 Y35 M95 Y97I26-A47 HydrophobicContact CD1-CB 4.4Å; V34-A47 HydrophobicContact CG1-CB 4.33Å; Y35-A47 CarbonylContact O-C 3.59Å; Y35-A47 WeakPolarHBondContact O-CA 3.43Å; A47-M95 HydrophobicContact CB-CG 3.65Å; A47-M95 HydrophobicContact CB-SD 4.43Å; A47-M95 PolarHBondContact N-O 2.81Å; A47-M95 PolarHBondContact O-N 3.38Å; A47-Y97 HydrophobicContact CB-CD2 4.35Å
48I96.6Very high93.1Very high0 Ų063.7 Ų63.70%032%0.316CS..EExtended strand (participates in β ladder)trans-121.8103.6-176-53.2-178.8000107.7F20 V34 Y35 V46 I50 W92 I94F20-I48 HydrophobicContact CB-CD1 3.96Å; V34-I48 WeakPolarHBondContact CA-O 3.41Å; Y35-I48 PolarHBondContact N-O 3.41Å; Y35-I48 PolarHBondContact O-N 2.88Å; V46-I48 HydrophobicContact CG2-CD1 4.25Å; V46-I48 HydrophobicContact CG2-CG1 3.91Å; I48-I50 HydrophobicContact CG2-CD1 4.1Å; I48-I50 HydrophobicContact CG2-CG1 3.75Å; I48-W92 HydrophobicContact CD1-CE3 4.46Å; I48-W92 HydrophobicContact CD1-CZ3 4.14Å; I48-W92 HydrophobicContact CG2-CD2 4.13Å; I48-W92 HydrophobicContact CG2-CE3 3.36Å; I48-W92 HydrophobicContact CG2-CZ3 3.81Å; I48-I94 HydrophobicContact CB-CD1 4.38Å; I48-I94 HydrophobicContact CD1-CD1 4.49Å; I48-I94 HydrophobicContact CG1-CD1 4Å; I48-I94 HydrophobicContact CG2-CD1 3.92Å
49K94.5Very high92.3Very high1 Ų164.7 Ų64.70%0.00432%0.319CS..EExtended strand (participates in β ladder)trans-88.1119.6172.1-178.5174.6-176.6177.10108.1E33 V34 I51 E66 I93 M95 D158E33-K49 CarbonylContact O-C 3.59Å; E33-K49 WeakPolarHBondContact O-CA 3.32Å; V34-K49 HydrophobicContact CG2-CB 4.22Å; V34-K49 HydrophobicContact CG2-CG 4.17Å; K49-I51 HydrophobicContact CG-CG1 4.43Å; K49-E66 IonicContact NZ-OE1 3.33Å; K49-E66 PolarHBondContact NZ-OE1 3.34Å; K49-E66 IonicContact NZ-OE2 2.7Å; K49-I93 HydrophobicContact CB-CB 4.22Å; K49-I93 HydrophobicContact CD-CD1 4.42Å; K49-I93 PolarHBondContact N-O 3.49Å; K49-I93 PolarHBondContact O-N 2.81Å; K49-M95 HydrophobicContact CB-CE 3.86Å; K49-M95 HydrophobicContact CD-CE 4.24Å; K49-D158 IonicContact NZ-OD1 3.18Å; K49-D158 PolarHBondContact NZ-OD1 3.22Å
50I94.8Very high91.7Very high16 Ų1663.9 Ų63.98%0.08232%0.315CS..EExtended strand (participates in β ladder)trans-112.9121.8-178.2-55.3-179.4000108.5K22 G32 E33 Y35 I48 K90 L91 W92K22-I50 HydrophobicContact CD-CD1 3.63Å; G32-I50 WeakPolarHBondContact CA-O 3.41Å; E33-I50 PolarHBondContact N-O 2.79Å; E33-I50 PolarHBondContact O-N 3.07Å; Y35-I50 HydrophobicContact CD2-CD1 3.9Å; Y35-I50 HydrophobicContact CD2-CG1 4.18Å; Y35-I50 HydrophobicContact CE2-CD1 3.99Å; Y35-I50 HydrophobicContact CE2-CG1 4.39Å; I48-I50 HydrophobicContact CG2-CD1 4.1Å; I48-I50 HydrophobicContact CG2-CG1 3.75Å; I50-K90 HydrophobicContact CG2-CB 4.05Å; I50-K90 HydrophobicContact CG2-CD 4.09Å; I50-L91 WeakPolarHBondContact CA-O 3.34Å; I50-W92 HydrophobicContact CD1-CD2 4.07Å; I50-W92 HydrophobicContact CD1-CE3 4.28Å; I50-W92 HydrophobicContact CD1-CH2 4Å; I50-W92 HydrophobicContact CD1-CZ2 3.79Å; I50-W92 HydrophobicContact CD1-CZ3 4.25Å; I50-W92 HydrophobicContact CG1-CD2 4.14Å; I50-W92 HydrophobicContact CG1-CE3 4.5Å; I50-W92 HydrophobicContact CG1-CG 4.39Å
51I92Very high91Very high1 Ų169.4 Ų69.41%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-117.8130.8-179.8-61170.2000108.1F31 K49 L53 A56 I63 K90 L91 I93F31-I51 HydrophobicContact CB-CD1 3.77Å; F31-I51 HydrophobicContact CB-CG1 3.94Å; F31-I51 HydrophobicContact CB-CG2 4.14Å; F31-I51 WeakPolarHBondContact O-CG2 3.27Å; K49-I51 HydrophobicContact CG-CG1 4.43Å; I51-L53 HydrophobicContact CG2-CD2 4.12Å; I51-A56 HydrophobicContact CG2-CB 4.14Å; I51-I63 HydrophobicContact CD1-CG1 4.39Å; I51-I63 HydrophobicContact CD1-CG2 3.77Å; I51-I63 HydrophobicContact CG2-CD1 3.84Å; I51-K90 CarbonylContact O-C 3.43Å; I51-K90 VanDerWaalsContact O-CA 3.31Å; I51-K90 WeakPolarHBondContact O-CA 3.46Å; I51-L91 HydrophobicContact CB-CB 4.41Å; I51-L91 PolarHBondContact N-O 3.29Å; I51-L91 PolarHBondContact O-N 2.93Å; I51-I93 HydrophobicContact CD1-CD1 3.83Å
52D91.8Very high90.3Very high32 Ų3263.3 Ų63.317%0.17131%0.312CS..EExtended strand (participates in β ladder)trans-86.5111.1170.4-154.5-39.8000109.7E54 E55 A56 T89 K90D52-E54 PolarHBondContact O-N 3.26Å; D52-E54 PolarHBondContact OD1-N 3.48Å; D52-E55 HydrophobicContact CB-CB 4.23Å; D52-E55 HydrophobicContact CB-CG 4.14Å; D52-E55 PolarHBondContact O-N 3.07Å; D52-A56 WeakPolarHBondContact O-CB 3.43Å; D52-A56 PolarHBondContact O-N 2.7Å; D52-T89 WeakPolarHBondContact OD1-CB 3.42Å; D52-T89 PolarHBondContact OD1-OG1 3.11Å; D52-T89 VanDerWaalsContact OD1-OG1 3.06Å; D52-K90 VanDerWaalsContact OD2-CE 3.29Å; D52-K90 WeakPolarHBondContact OD2-CE 3.21Å
53L88.9Confident89.8Confident7 Ų760.2 Ų60.24%0.03729%0.293CS..THydrogen-bonded Turntrans-74.7-12.3-175.1-61.2177.6000113.2L4 F7 I51 E57 I63 L86 T89 L91L4-L53 HydrophobicContact CD2-CB 4.18Å; L4-L53 HydrophobicContact CD2-CD1 3.39Å; L4-L53 HydrophobicContact CD2-CG 4.45Å; F7-L53 HydrophobicContact CD2-CD1 3.73Å; F7-L53 HydrophobicContact CE2-CD1 3.76Å; F7-L53 HydrophobicContact CE2-CD2 3.85Å; F7-L53 HydrophobicContact CE2-CG 4.46Å; F7-L53 HydrophobicContact CG-CD1 4.45Å; F7-L53 HydrophobicContact CZ-CD2 3.88Å; I51-L53 HydrophobicContact CG2-CD2 4.12Å; L53-E57 PolarHBondContact O-N 2.73Å; L53-I63 HydrophobicContact CD2-CD1 4.37Å; L53-L86 HydrophobicContact CD1-CD1 3.72Å; L53-T89 VanDerWaalsContact CB-O 3.28Å; L53-T89 WeakPolarHBondContact CB-O 3.29Å; L53-T89 WeakPolarHBondContact CG-O 3.47Å; L53-T89 PolarHBondContact N-O 3.31Å; L53-L91 HydrophobicContact CD1-CB 4.04Å; L53-L91 HydrophobicContact CD2-CB 4.05Å; L53-L91 HydrophobicContact CD2-CD2 4.19Å; L53-L91 HydrophobicContact CG-CB 4Å
54E89.6Confident89.3Confident144 Ų14456 Ų5667%0.67328%0.276SS*.THydrogen-bonded Turntrans-78.5-36.8169.9-74.3-173.8170.200111.5D52 T89D52-E54 PolarHBondContact O-N 3.26Å; D52-E54 PolarHBondContact OD1-N 3.48Å; E54-T89 HydrophobicContact CG-CG2 3.64Å; E54-T89 WeakPolarHBondContact OE1-CG2 3.31Å
55E87.4Confident88.6Confident171 Ų17155.2 Ų55.280%0.79927%0.272SS*.THydrogen-bonded Turntrans-74-34175.1-64-179.917600111.2D52D52-E55 HydrophobicContact CB-CB 4.23Å; D52-E55 HydrophobicContact CB-CG 4.14Å; D52-E55 PolarHBondContact O-N 3.07Å
56A84.9Confident87.9Confident5 Ų552.9 Ų52.94%0.04126%0.257CS..THydrogen-bonded Turntrans-98.530.3-178.800000114.1I51 D52 D58 E59 I60 I63I51-A56 HydrophobicContact CG2-CB 4.14Å; D52-A56 WeakPolarHBondContact O-CB 3.43Å; D52-A56 PolarHBondContact O-N 2.7Å; A56-D58 VanDerWaalsContact C-N 3.26Å; A56-D58 PolarHBondContact O-N 3.04Å; A56-E59 WeakPolarHBondContact CA-OE2 3.1Å; A56-E59 WeakPolarHBondContact CB-OE2 3.34Å; A56-E59 PolarHBondContact O-N 3.32Å; A56-E59 VanDerWaalsContact O-N 3.08Å; A56-I60 WeakPolarHBondContact O-CG1 3.31Å; A56-I60 PolarHBondContact O-N 2.9Å; A56-I63 HydrophobicContact CB-CD1 3.74Å
57E82.3Confident87.5Confident127 Ų12753.5 Ų53.559%0.59326%0.26SS*.G310 helixtrans-57.8-38.7-174.8-175.9171.9-155.400112.2L53 E59 I60L53-E57 PolarHBondContact O-N 2.73Å; E57-E59 VanDerWaalsContact C-N 3.34Å; E57-I60 HydrophobicContact CG-CD1 4.44Å; E57-I60 WeakPolarHBondContact O-CG1 3.43Å
58D81.2Confident87Confident151 Ų15156 Ų5681%0.80728%0.275SS*.G310 helixtrans-75.3-18.7179.8-76.2-27.2000113.2A56A56-D58 VanDerWaalsContact C-N 3.26Å; A56-D58 PolarHBondContact O-N 3.04Å
59E81.6Confident86.5Confident61 Ų6157.1 Ų57.129%0.28528%0.282SS..G310 helixtrans-105.58.7179.3-55.197.2-170.600114.3F31 A56 E57 E61 D62 I63F31-E59 HydrophobicContact CD1-CB 4.1Å; F31-E59 HydrophobicContact CD1-CG 4.38Å; F31-E59 HydrophobicContact CE1-CB 3.84Å; F31-E59 HydrophobicContact CE1-CG 4.02Å; A56-E59 WeakPolarHBondContact CA-OE2 3.1Å; A56-E59 WeakPolarHBondContact CB-OE2 3.34Å; A56-E59 PolarHBondContact O-N 3.32Å; A56-E59 VanDerWaalsContact O-N 3.08Å; E57-E59 VanDerWaalsContact C-N 3.34Å; E59-E61 VanDerWaalsContact C-N 3.27Å; E59-E61 PolarHBondContact O-N 3.22Å; E59-D62 WeakPolarHBondContact O-CB 3.2Å; E59-D62 PolarHBondContact O-N 3.28Å; E59-I63 HydrophobicContact CB-CD1 4.3Å; E59-I63 WeakPolarHBondContact O-CG1 3.16Å; E59-I63 PolarHBondContact O-N 3.43Å
60I84.2Confident86.2Confident17 Ų1757.5 Ų57.59%0.08728%0.284CS..Hα-helixtrans-52.8-43.3-177.9-75.8175.4000112.5H3 F7 A56 E57 D62 I63 Q64H3-I60 HydrophobicContact CB-CD1 4.02Å; F7-I60 HydrophobicContact CE2-CG1 4.44Å; F7-I60 HydrophobicContact CE2-CG2 3.69Å; F7-I60 HydrophobicContact CZ-CG2 3.87Å; A56-I60 WeakPolarHBondContact O-CG1 3.31Å; A56-I60 PolarHBondContact O-N 2.9Å; E57-I60 HydrophobicContact CG-CD1 4.44Å; E57-I60 WeakPolarHBondContact O-CG1 3.43Å; I60-D62 VanDerWaalsContact C-N 3.34Å; I60-I63 PolarHBondContact O-N 3.49Å; I60-Q64 WeakPolarHBondContact O-CB 3.32Å; I60-Q64 VanDerWaalsContact O-CG 3.31Å; I60-Q64 WeakPolarHBondContact O-CG 3.37Å; I60-Q64 PolarHBondContact O-N 2.8Å
61E82.9Confident86Confident160 Ų16059.4 Ų59.475%0.74830%0.298SS*.Hα-helixtrans-65.5-39-179.6-66.1-172.6174.100111.6E59 Q64 Q65E59-E61 VanDerWaalsContact C-N 3.27Å; E59-E61 PolarHBondContact O-N 3.22Å; E61-Q64 PolarHBondContact O-N 3.12Å; E61-Q65 WeakPolarHBondContact O-CB 3.21Å; E61-Q65 PolarHBondContact O-N 3.49Å
62D81.5Confident85.9Confident42 Ų4264.9 Ų64.923%0.22532%0.324CS..Hα-helixtrans-66.4-47.4177.5-72.3-15.7000110.2F31 E59 I60 Q64 Q65 E66 V161F31-D62 HydrophobicContact CZ-CB 4.42Å; E59-D62 WeakPolarHBondContact O-CB 3.2Å; E59-D62 PolarHBondContact O-N 3.28Å; I60-D62 VanDerWaalsContact C-N 3.34Å; D62-Q64 VanDerWaalsContact C-N 3.32Å; D62-Q64 PolarHBondContact O-N 2.85Å; D62-Q65 WeakPolarHBondContact O-CB 3.5Å; D62-Q65 PolarHBondContact O-N 3.32Å; D62-Q65 VanDerWaalsContact O-N 3.11Å; D62-E66 PolarHBondContact O-N 3.24Å; D62-V161 HydrophobicContact CB-CB 3.88Å; D62-V161 HydrophobicContact CB-CG1 3.91Å; D62-V161 HydrophobicContact CB-CG2 3.83Å; D62-V161 VanDerWaalsContact O-CG2 3.3Å; D62-V161 WeakPolarHBondContact O-CG2 3.35Å; D62-V161 WeakPolarHBondContact OD1-CG1 3.25Å
63I84.7Confident85.9Confident1 Ų164.2 Ų64.21%0.00532%0.322CS..Hα-helixtrans-59.6-42.4176.5-62.2158.6000111.1F7 F31 I51 L53 A56 E59 I60 Q65 E66 I67 L91F7-I63 HydrophobicContact CE1-CB 4.34Å; F7-I63 HydrophobicContact CE1-CG2 3.82Å; F7-I63 HydrophobicContact CZ-CB 4.32Å; F7-I63 HydrophobicContact CZ-CG2 4.14Å; F31-I63 HydrophobicContact CB-CD1 4.29Å; F31-I63 HydrophobicContact CB-CG1 4.21Å; F31-I63 HydrophobicContact CD1-CD1 4.29Å; F31-I63 HydrophobicContact CD1-CG1 3.99Å; F31-I63 HydrophobicContact CD2-CG1 3.95Å; F31-I63 HydrophobicContact CE1-CG1 4.35Å; F31-I63 HydrophobicContact CE2-CG1 4.33Å; F31-I63 HydrophobicContact CG-CD1 4.24Å; F31-I63 HydrophobicContact CG-CG1 3.78Å; I51-I63 HydrophobicContact CD1-CG1 4.39Å; I51-I63 HydrophobicContact CD1-CG2 3.77Å; I51-I63 HydrophobicContact CG2-CD1 3.84Å; L53-I63 HydrophobicContact CD2-CD1 4.37Å; A56-I63 HydrophobicContact CB-CD1 3.74Å; E59-I63 HydrophobicContact CB-CD1 4.3Å; E59-I63 WeakPolarHBondContact O-CG1 3.16Å; E59-I63 PolarHBondContact O-N 3.43Å; I60-I63 PolarHBondContact O-N 3.49Å; I63-Q65 VanDerWaalsContact C-N 3.33Å; I63-Q65 PolarHBondContact O-N 3.28Å; I63-E66 PolarHBondContact O-N 3.36Å; I63-I67 HydrophobicContact CG2-CD1 4.02Å; I63-I67 WeakPolarHBondContact O-CG1 3.18Å; I63-I67 PolarHBondContact O-N 3.39Å; I63-I67 VanDerWaalsContact O-N 3.11Å; I63-L91 HydrophobicContact CG2-CD2 3.88Å
64Q86.2Confident86.2Confident56 Ų5670.2 Ų70.226%0.26235%0.354SS..Hα-helixtrans-62.7-40.8176.3-76.2179.6-2.600112.2F7 I60 E61 D62 T68F7-Q64 HydrophobicContact CD1-CG 3.78Å; F7-Q64 HydrophobicContact CE1-CB 4.25Å; F7-Q64 HydrophobicContact CE1-CG 3.2Å; F7-Q64 HydrophobicContact CE2-CG 4.07Å; F7-Q64 HydrophobicContact CG-CG 4.43Å; F7-Q64 HydrophobicContact CZ-CG 3.39Å; I60-Q64 WeakPolarHBondContact O-CB 3.32Å; I60-Q64 VanDerWaalsContact O-CG 3.31Å; I60-Q64 WeakPolarHBondContact O-CG 3.37Å; I60-Q64 PolarHBondContact O-N 2.8Å; E61-Q64 PolarHBondContact O-N 3.12Å; D62-Q64 VanDerWaalsContact C-N 3.32Å; D62-Q64 PolarHBondContact O-N 2.85Å; Q64-T68 VanDerWaalsContact O-CB 3.29Å; Q64-T68 WeakPolarHBondContact O-CB 3.44Å; Q64-T68 PolarHBondContact O-N 2.8Å; Q64-T68 PolarHBondContact O-OG1 3.45Å
65Q83Confident86.5Confident100 Ų10064.1 Ų64.147%0.46733%0.327SS..Hα-helixtrans-65.8-42.9178.5-175.359.938.400111.2E61 D62 I63 T68 V69E61-Q65 WeakPolarHBondContact O-CB 3.21Å; E61-Q65 PolarHBondContact O-N 3.49Å; D62-Q65 WeakPolarHBondContact O-CB 3.5Å; D62-Q65 PolarHBondContact O-N 3.32Å; D62-Q65 VanDerWaalsContact O-N 3.11Å; I63-Q65 VanDerWaalsContact C-N 3.33Å; I63-Q65 PolarHBondContact O-N 3.28Å; Q65-T68 PolarHBondContact O-N 2.54Å; Q65-V69 WeakPolarHBondContact O-CG2 3.44Å; Q65-V69 PolarHBondContact O-N 3.43Å
66E84Confident87Confident11 Ų1160 Ų605%0.05132%0.316CS..Hα-helixtrans-57.1-52.5175.5-176-174.8151.100111F31 K49 D62 I63 T68 V69 L70 F159 V161F31-E66 VanDerWaalsContact CE2-OE2 3.23Å; F31-E66 WeakPolarHBondContact CE2-OE2 3.42Å; K49-E66 IonicContact NZ-OE1 3.33Å; K49-E66 PolarHBondContact NZ-OE1 3.34Å; K49-E66 IonicContact NZ-OE2 2.7Å; D62-E66 PolarHBondContact O-N 3.24Å; I63-E66 PolarHBondContact O-N 3.36Å; E66-T68 VanDerWaalsContact C-N 3.31Å; E66-T68 PolarHBondContact O-N 3.32Å; E66-V69 PolarHBondContact O-N 3.21Å; E66-L70 WeakPolarHBondContact O-CB 3.21Å; E66-L70 PolarHBondContact O-N 2.94Å; E66-F159 HydrophobicContact CG-CB 4.22Å; E66-V161 HydrophobicContact CB-CG2 4.28Å
67I87.4Confident87.6Confident15 Ų1562.9 Ų62.98%0.07733%0.326CS..Hα-helixtrans-61.8-40.4179.3-66.1168.2000111.1F7 I63 V69 L70 S71 Y81 L91 I93F7-I67 HydrophobicContact CD1-CD1 4.19Å; F7-I67 HydrophobicContact CE1-CD1 4.18Å; I63-I67 HydrophobicContact CG2-CD1 4.02Å; I63-I67 WeakPolarHBondContact O-CG1 3.18Å; I63-I67 PolarHBondContact O-N 3.39Å; I63-I67 VanDerWaalsContact O-N 3.11Å; I67-V69 PolarHBondContact O-N 2.65Å; I67-L70 PolarHBondContact O-N 3.5Å; I67-S71 WeakPolarHBondContact O-CB 3.35Å; I67-S71 PolarHBondContact O-N 3.43Å; I67-S71 PolarHBondContact O-OG 3.34Å; I67-Y81 HydrophobicContact CG2-CE2 4.23Å; I67-L91 HydrophobicContact CD1-CD2 3.56Å; I67-I93 HydrophobicContact CD1-CD1 3.7Å; I67-I93 HydrophobicContact CD1-CG1 4.02Å; I67-I93 HydrophobicContact CG1-CD1 3.8Å; I67-I93 HydrophobicContact CG1-CG1 4.34Å
68T87.1Confident88.3Confident59 Ų5956.9 Ų56.936%0.36230%0.298SS..Hα-helixtrans-62.8-43.8179.4-62.50000111.2Q64 Q65 E66 S71 Q72Q64-T68 VanDerWaalsContact O-CB 3.29Å; Q64-T68 WeakPolarHBondContact O-CB 3.44Å; Q64-T68 PolarHBondContact O-N 2.8Å; Q64-T68 PolarHBondContact O-OG1 3.45Å; Q65-T68 PolarHBondContact O-N 2.54Å; E66-T68 VanDerWaalsContact C-N 3.31Å; E66-T68 PolarHBondContact O-N 3.32Å; T68-S71 PolarHBondContact O-OG 3.3Å; T68-S71 VanDerWaalsContact O-OG 3.12Å; T68-Q72 WeakPolarHBondContact O-CG 3.45Å; T68-Q72 PolarHBondContact O-N 3.04Å
69V86.9Confident89Confident23 Ų2350 Ų5014%0.13926%0.261CS..Hα-helixtrans-66.8-48.1177.8174.50000110.7Q65 E66 I67 Q72 C73 K136 F159Q65-V69 WeakPolarHBondContact O-CG2 3.44Å; Q65-V69 PolarHBondContact O-N 3.43Å; E66-V69 PolarHBondContact O-N 3.21Å; I67-V69 PolarHBondContact O-N 2.65Å; V69-Q72 PolarHBondContact O-N 2.84Å; V69-C73 PolarHBondContact O-N 2.78Å; V69-C73 PolarHBondContact O-SG 3.43Å; V69-K136 HydrophobicContact CG1-CD 4.14Å; V69-F159 HydrophobicContact CB-CD1 4.43Å; V69-F159 HydrophobicContact CG1-CD1 3.42Å; V69-F159 VanDerWaalsContact CG1-CD1 3.42Å; V69-F159 HydrophobicContact CG1-CE1 3.56Å; V69-F159 HydrophobicContact CG1-CG 4.02Å; V69-F159 HydrophobicContact CG1-CZ 4.27Å
70L88.5Confident89.6Confident9 Ų954 Ų545%0.04727%0.273CS..Hα-helixtrans-63.2-44-177.8-175.370.3000111.9E66 I67 Q72 C73 I78 T79 Y81 F159E66-L70 WeakPolarHBondContact O-CB 3.21Å; E66-L70 PolarHBondContact O-N 2.94Å; I67-L70 PolarHBondContact O-N 3.5Å; L70-Q72 PolarHBondContact O-N 3Å; L70-C73 WeakPolarHBondContact O-CB 3.46Å; L70-C73 PolarHBondContact O-N 3.21Å; L70-I78 HydrophobicContact CD1-CG2 4.26Å; L70-T79 WeakPolarHBondContact CD1-O 3.08Å; L70-Y81 HydrophobicContact CD2-CD2 4.14Å; L70-F159 HydrophobicContact CB-CD2 4.3Å; L70-F159 HydrophobicContact CB-CE2 4.42Å; L70-F159 HydrophobicContact CD1-CD2 3.87Å; L70-F159 HydrophobicContact CD1-CE2 3.5Å; L70-F159 VanDerWaalsContact CD1-CE2 3.5Å
71S90.3Very high90.1Very high55 Ų5555.5 Ų55.539%0.38528%0.278SS..Hα-helixtrans-66.3-18.9179.762.50000114.3I67 T68I67-S71 WeakPolarHBondContact O-CB 3.35Å; I67-S71 PolarHBondContact O-N 3.43Å; I67-S71 PolarHBondContact O-OG 3.34Å; T68-S71 PolarHBondContact O-OG 3.3Å; T68-S71 VanDerWaalsContact O-OG 3.12Å
72Q90.5Very high90.7Very high116 Ų11652 Ų5254%0.54226%0.261SS..THydrogen-bonded Turntrans-92.7-0.7175.1-68172.68.200113.1T68 V69 L70T68-Q72 WeakPolarHBondContact O-CG 3.45Å; T68-Q72 PolarHBondContact O-N 3.04Å; V69-Q72 PolarHBondContact O-N 2.84Å; L70-Q72 PolarHBondContact O-N 3Å
73C91.6Very high91.2Very high18 Ų1850.4 Ų50.412%0.12225%0.254CS..  trans-92.3130.2178.1-66.90000110.7V69 L70 I78 Y130V69-C73 PolarHBondContact O-N 2.78Å; V69-C73 PolarHBondContact O-SG 3.43Å; L70-C73 WeakPolarHBondContact O-CB 3.46Å; L70-C73 PolarHBondContact O-N 3.21Å; C73-I78 HydrophobicContact CB-CB 4.46Å; C73-I78 HydrophobicContact CB-CG2 3.94Å; C73-Y130 HydrophobicContact CB-CE1 4.21Å
74D93.4Very high91.6Very high133 Ų13350.6 Ų50.671%0.71126%0.256SS*.  trans-134.192.7170.9-176.319.7000108.1Y130D74-Y130 PolarHBondContact N-OH 2.83Å; D74-Y130 PolarHBondContact O-OH 2.93Å
75S96.7Very high92Very high16 Ų1649 Ų4911%0.11225%0.247CC..  trans-156.6140.4-176.1173.50000110.6Y77 I78 Y130S75-Y77 PolarHBondContact O-N 2.83Å; S75-Y77 VanDerWaalsContact O-N 3.11Å; S75-Y77 PolarHBondContact OG-N 3.24Å; S75-I78 PolarHBondContact O-N 2.84Å; S75-I78 VanDerWaalsContact O-O 3.11Å; S75-Y130 VanDerWaalsContact CB-CD1 3.48Å
76P97.6Very high92.5Very high86 Ų8646.3 Ų46.356%0.55824%0.236SC*.THydrogen-bonded Turntrans-68.3-7176.330-36.1000113.6K155P76-K155 WeakPolarHBondContact O-CE 3.39Å
77Y98.2Very high92.8Very high64 Ų6448 Ų4825%0.25124%0.243SC..THydrogen-bonded Turntrans-105.42.5-179.1-49.7-64.6000113.1S75 E123 K126 K155 L156S75-Y77 PolarHBondContact O-N 2.83Å; S75-Y77 VanDerWaalsContact O-N 3.11Å; S75-Y77 PolarHBondContact OG-N 3.24Å; Y77-E123 WeakPolarHBondContact CE1-OE2 3.5Å; Y77-K126 HydrophobicContact CD1-CB 4.02Å; Y77-K126 HydrophobicContact CD1-CD 4.14Å; Y77-K126 HydrophobicContact CD2-CB 3.66Å; Y77-K126 HydrophobicContact CE1-CB 4.08Å; Y77-K126 HydrophobicContact CE1-CD 3.44Å; Y77-K126 VanDerWaalsContact CE1-CD 3.44Å; Y77-K126 HydrophobicContact CE1-CG 4.47Å; Y77-K126 HydrophobicContact CE2-CB 3.71Å; Y77-K126 HydrophobicContact CE2-CD 3.87Å; Y77-K126 HydrophobicContact CE2-CG 4.41Å; Y77-K126 HydrophobicContact CG-CB 3.82Å; Y77-K126 WeakPolarHBondContact OH-CD 3.48Å; Y77-K126 PolarHBondContact OH-NZ 3.39Å; Y77-K155 WeakPolarHBondContact O-CA 3.47Å; Y77-L156 PolarHBondContact O-N 3.19Å
78I96.9Very high92.9Very high2 Ų252.2 Ų52.21%0.0127%0.274CS..BIsolated β-bridgetrans-123140.3177.3-53.7-59.6000107.7L70 C73 S75 R80 Y130 L131 L156 F159L70-I78 HydrophobicContact CD1-CG2 4.26Å; C73-I78 HydrophobicContact CB-CB 4.46Å; C73-I78 HydrophobicContact CB-CG2 3.94Å; S75-I78 PolarHBondContact O-N 2.84Å; S75-I78 VanDerWaalsContact O-O 3.11Å; I78-R80 PolarHBondContact O-N 3.06Å; I78-Y130 HydrophobicContact CG1-CD1 3.86Å; I78-Y130 HydrophobicContact CG1-CE1 4.11Å; I78-L131 HydrophobicContact CD1-CD1 3.77Å; I78-L131 HydrophobicContact CD1-CD2 4.09Å; I78-L131 HydrophobicContact CD1-CG 3.83Å; I78-L131 HydrophobicContact CG1-CD2 4.34Å; I78-L131 HydrophobicContact CG1-CG 4.49Å; I78-L156 HydrophobicContact CD1-CB 3.91Å; I78-L156 HydrophobicContact CD1-CD1 4.08Å; I78-L156 HydrophobicContact CD1-CG 4.43Å; I78-F159 HydrophobicContact CD1-CZ 4.49Å; I78-F159 HydrophobicContact CG2-CE2 3.75Å; I78-F159 HydrophobicContact CG2-CZ 3.75Å
79T95.4Very high93.1Very high5 Ų551 Ų513%0.03127%0.266CS..PPolyproline II helixtrans-57.5125.3175.7-58.50000110.5L70 Y81 M95 E96 L156 A157L70-T79 WeakPolarHBondContact CD1-O 3.08Å; T79-Y81 PolarHBondContact O-N 3.24Å; T79-M95 HydrophobicContact CG2-CB 4.16Å; T79-M95 HydrophobicContact CG2-CG 4.29Å; T79-M95 HydrophobicContact CG2-SD 4.23Å; T79-E96 WeakPolarHBondContact CA-OE1 3.2Å; T79-E96 HydrophobicContact CG2-CG 3.71Å; T79-L156 PolarHBondContact N-O 2.9Å; T79-L156 PolarHBondContact OG1-O 3.3Å; T79-A157 WeakPolarHBondContact OG1-CB 3.48Å
80R95.5Very high93.4Very high146 Ų14654.6 Ų54.655%0.55128%0.28SS*.PPolyproline II helixtrans-72.5125.5-179.2-175.8173.1-179.7128.80110.9I78 F82 M95 E96I78-R80 PolarHBondContact O-N 3.06Å; R80-F82 HydrophobicContact CG-CD1 4.11Å; R80-F82 HydrophobicContact CG-CE1 3.78Å; R80-M95 CarbonylContact O-C 3.4Å; R80-M95 VanDerWaalsContact O-CA 3.27Å; R80-M95 WeakPolarHBondContact O-CA 3.28Å; R80-M95 WeakPolarHBondContact O-CB 3.45Å; R80-E96 HydrophobicContact CB-CB 4.16Å; R80-E96 HydrophobicContact CB-CG 3.96Å; R80-E96 WeakPolarHBondContact CB-OE1 3.44Å; R80-E96 PolarHBondContact N-OE1 2.94Å; R80-E96 PolarHBondContact O-N 3.17Å
81Y94.2Very high93.6Very high48 Ų4854.1 Ų54.119%0.18828%0.278CS..EExtended strand (participates in β ladder)trans-85.6133.3169.9171.8-99.4000110.9I67 L70 T79 G83 S84 I93I67-Y81 HydrophobicContact CG2-CE2 4.23Å; L70-Y81 HydrophobicContact CD2-CD2 4.14Å; T79-Y81 PolarHBondContact O-N 3.24Å; Y81-G83 VanDerWaalsContact CE2-C 3.49Å; Y81-G83 WeakPolarHBondContact CE2-O 3.33Å; Y81-G83 VanDerWaalsContact CZ-CA 3.4Å; Y81-G83 VanDerWaalsContact OH-C 3.23Å; Y81-S84 WeakPolarHBondContact OH-CB 3.16Å; Y81-S84 PolarHBondContact OH-N 3.34Å; Y81-S84 PolarHBondContact OH-OG 3Å; Y81-S84 VanDerWaalsContact OH-OG 3.07Å; Y81-I93 HydrophobicContact CD2-CG2 4.08Å; Y81-I93 HydrophobicContact CE2-CG2 3.98Å
82F94.3Very high93.9Very high88 Ų8851.8 Ų51.839%0.38626%0.26SS..EExtended strand (participates in β ladder)trans-103.8-33.4177.2-63.9-42.8000112.8V46 R80 I94 E96V46-F82 HydrophobicContact CG1-CD2 4.02Å; V46-F82 HydrophobicContact CG1-CE2 3.94Å; R80-F82 HydrophobicContact CG-CD1 4.11Å; R80-F82 HydrophobicContact CG-CE1 3.78Å; F82-I94 HydrophobicContact CB-CB 4.23Å; F82-I94 HydrophobicContact CB-CG2 4.09Å; F82-I94 WeakPolarHBondContact CB-O 3.41Å; F82-I94 HydrophobicContact CD2-CG2 4.1Å; F82-I94 PolarHBondContact N-O 3.06Å; F82-E96 HydrophobicContact CE2-CB 4.08Å; F82-E96 HydrophobicContact CZ-CB 3.96Å
83G93.4Very high94Very high7 Ų746.3 Ų46.37%0.07224%0.235CC..EExtended strand (participates in β ladder)trans164172.2179.900000112.9Y81 I94Y81-G83 VanDerWaalsContact CE2-C 3.49Å; Y81-G83 WeakPolarHBondContact CE2-O 3.33Å; Y81-G83 VanDerWaalsContact CZ-CA 3.4Å; Y81-G83 VanDerWaalsContact OH-C 3.23Å; G83-I94 PolarHBondContact N-O 2.96Å; G83-I94 PolarHBondContact O-N 3.5Å
84S93Very high94.2Very high6 Ų645.5 Ų45.54%0.04223%0.229CC..EExtended strand (participates in β ladder)trans-133.5147.8172.965.30000111.4Y81 W92Y81-S84 WeakPolarHBondContact OH-CB 3.16Å; Y81-S84 PolarHBondContact OH-N 3.34Å; Y81-S84 PolarHBondContact OH-OG 3Å; Y81-S84 VanDerWaalsContact OH-OG 3.07Å; S84-W92 CarbonylContact C-O 3.49Å; S84-W92 WeakPolarHBondContact CA-O 3.35Å; S84-W92 WeakPolarHBondContact CB-O 3.43Å
85Y94.3Very high94.3Very high22 Ų2240 Ų409%0.08620%0.199CC..EExtended strand (participates in β ladder)trans-140.2139.8-172.6-55.1-98.9000109H11 P16 L19 F20 W92 I94H11-Y85 HydrophobicContact CB-CD1 3.81Å; H11-Y85 HydrophobicContact CB-CE1 3.35Å; P16-Y85 HydrophobicContact CB-CG 4.11Å; L19-Y85 HydrophobicContact CD1-CD1 4.19Å; L19-Y85 HydrophobicContact CD1-CE1 3.52Å; F20-Y85 HydrophobicContact CE2-CD2 4.1Å; F20-Y85 HydrophobicContact CE2-CE1 4.46Å; F20-Y85 AromaticContact CE2-CE2 3.56Å; F20-Y85 HydrophobicContact CE2-CE2 3.56Å; F20-Y85 AromaticContact CE2-CZ 3.77Å; F20-Y85 HydrophobicContact CZ-CE2 4.03Å; Y85-W92 PolarHBondContact N-O 3.17Å; Y85-W92 PolarHBondContact O-N 3.26Å; Y85-I94 HydrophobicContact CD2-CD1 4.47Å; Y85-I94 HydrophobicContact CD2-CG1 3.76Å; Y85-I94 HydrophobicContact CE2-CG1 3.58Å
86L92.4Very high94.3Very high43 Ų4340.8 Ų40.823%0.22520%0.201CC..EExtended strand (participates in β ladder)trans-105.8121.7177.6-175.668.2000109.2L4 L53L4-L86 HydrophobicContact CB-CD2 3.92Å; L4-L86 HydrophobicContact CD1-CD2 4.31Å; L4-L86 HydrophobicContact CD2-CD1 4.25Å; L4-L86 HydrophobicContact CD2-CD2 4.24Å; L4-L86 HydrophobicContact CG-CD2 4.38Å; L53-L86 HydrophobicContact CD1-CD1 3.72Å
87K91.2Very high94.3Very high48 Ų4840 Ų4021%0.20919%0.188CC..EExtended strand (participates in β ladder)trans-119.9106.6172.9-175.7178.1-174.3142.50109.2D15 P16 E17 T89 K90D15-K87 WeakPolarHBondContact OD1-CD 3.45Å; D15-K87 WeakPolarHBondContact OD1-CE 3.36Å; D15-K87 IonicContact OD1-NZ 2.74Å; D15-K87 PolarHBondContact OD1-NZ 2.89Å; D15-K87 WeakPolarHBondContact OD2-CE 3.14Å; D15-K87 IonicContact OD2-NZ 2.87Å; D15-K87 PolarHBondContact OD2-NZ 2.93Å; P16-K87 HydrophobicContact CG-CB 3.84Å; P16-K87 HydrophobicContact CG-CD 4.33Å; E17-K87 HydrophobicContact CG-CD 4.47Å; E17-K87 IonicContact OE1-NZ 3.36Å; E17-K87 IonicContact OE2-NZ 3.7Å; E17-K87 PolarHBondContact OE2-NZ 3.15Å; K87-T89 PolarHBondContact O-N 3.49Å; K87-K90 PolarHBondContact N-O 2.84Å; K87-K90 PolarHBondContact O-N 2.92Å
88S90.2Very high94.2Very high103 Ų10337.7 Ų37.772%0.7218%0.179SC*.THydrogen-bonded Turntrans55.9-110.4-173.4-54.40000110.9
89T90.8Very high94.2Very high33 Ų3338.3 Ų38.320%0.20219%0.187CC..THydrogen-bonded Turntrans-96.2-9.8177.862.30000112.4D52 L53 E54 K87D52-T89 WeakPolarHBondContact OD1-CB 3.42Å; D52-T89 PolarHBondContact OD1-OG1 3.11Å; D52-T89 VanDerWaalsContact OD1-OG1 3.06Å; L53-T89 VanDerWaalsContact CB-O 3.28Å; L53-T89 WeakPolarHBondContact CB-O 3.29Å; L53-T89 WeakPolarHBondContact CG-O 3.47Å; L53-T89 PolarHBondContact N-O 3.31Å; E54-T89 HydrophobicContact CG-CG2 3.64Å; E54-T89 WeakPolarHBondContact OE1-CG2 3.31Å; K87-T89 PolarHBondContact O-N 3.49Å
90K93.6Very high94.3Very high98 Ų9838.2 Ų38.243%0.42619%0.186SC..EExtended strand (participates in β ladder)trans-95.9123-171.3-59.4-166.4177-156.10111.6I50 I51 D52 K87I50-K90 HydrophobicContact CG2-CB 4.05Å; I50-K90 HydrophobicContact CG2-CD 4.09Å; I51-K90 CarbonylContact O-C 3.43Å; I51-K90 VanDerWaalsContact O-CA 3.31Å; I51-K90 WeakPolarHBondContact O-CA 3.46Å; D52-K90 VanDerWaalsContact OD2-CE 3.29Å; D52-K90 WeakPolarHBondContact OD2-CE 3.21Å; K87-K90 PolarHBondContact N-O 2.84Å; K87-K90 PolarHBondContact O-N 2.92Å
91L93.2Very high94.3Very high0 Ų032.1 Ų32.10%017%0.169CC..EExtended strand (participates in β ladder)trans-88.6122.3171-177.162.8000109.7F7 I50 I51 L53 I63 I67 I93F7-L91 HydrophobicContact CB-CD1 4.11Å; F7-L91 HydrophobicContact CD1-CD1 4.2Å; F7-L91 HydrophobicContact CD1-CD2 3.48Å; F7-L91 VanDerWaalsContact CD1-CD2 3.48Å; F7-L91 HydrophobicContact CD1-CG 4.5Å; F7-L91 HydrophobicContact CE1-CD2 3.52Å; F7-L91 HydrophobicContact CG-CD1 4.3Å; F7-L91 HydrophobicContact CG-CD2 4.15Å; F7-L91 HydrophobicContact CZ-CD2 4.22Å; I50-L91 WeakPolarHBondContact CA-O 3.34Å; I51-L91 HydrophobicContact CB-CB 4.41Å; I51-L91 PolarHBondContact N-O 3.29Å; I51-L91 PolarHBondContact O-N 2.93Å; L53-L91 HydrophobicContact CD1-CB 4.04Å; L53-L91 HydrophobicContact CD2-CB 4.05Å; L53-L91 HydrophobicContact CD2-CD2 4.19Å; L53-L91 HydrophobicContact CG-CB 4Å; I63-L91 HydrophobicContact CG2-CD2 3.88Å; I67-L91 HydrophobicContact CD1-CD2 3.56Å; L91-I93 HydrophobicContact CD2-CD1 4.46Å; L91-I93 HydrophobicContact CD2-CG1 4.43Å; L91-I93 HydrophobicContact CG-CG1 4.22Å
92W94.8Very high94.4Very high5 Ų530.3 Ų30.32%0.01916%0.163CC..EExtended strand (participates in β ladder)trans-101.9124.3175.2-68.854.1000108.4P16 E17 K22 I48 I50 S84 Y85 I94P16-W92 HydrophobicContact CB-CB 4.36Å; P16-W92 HydrophobicContact CB-CD2 3.85Å; P16-W92 HydrophobicContact CB-CE3 3.86Å; P16-W92 HydrophobicContact CB-CG 4.07Å; P16-W92 HydrophobicContact CB-CZ3 4.46Å; P16-W92 HydrophobicContact CG-CB 4.41Å; P16-W92 HydrophobicContact CG-CD2 3.75Å; P16-W92 HydrophobicContact CG-CE3 4.23Å; P16-W92 HydrophobicContact CG-CG 3.8Å; E17-W92 HydrophobicContact CG-CH2 3.6Å; E17-W92 HydrophobicContact CG-CZ2 3.89Å; E17-W92 HydrophobicContact CG-CZ3 4.45Å; K22-W92 HydrophobicContact CB-CH2 4.37Å; K22-W92 HydrophobicContact CD-CH2 4.32Å; I48-W92 HydrophobicContact CD1-CE3 4.46Å; I48-W92 HydrophobicContact CD1-CZ3 4.14Å; I48-W92 HydrophobicContact CG2-CD2 4.13Å; I48-W92 HydrophobicContact CG2-CE3 3.36Å; I48-W92 HydrophobicContact CG2-CZ3 3.81Å; I50-W92 HydrophobicContact CD1-CD2 4.07Å; I50-W92 HydrophobicContact CD1-CE3 4.28Å; I50-W92 HydrophobicContact CD1-CH2 4Å; I50-W92 HydrophobicContact CD1-CZ2 3.79Å; I50-W92 HydrophobicContact CD1-CZ3 4.25Å; I50-W92 HydrophobicContact CG1-CD2 4.14Å; I50-W92 HydrophobicContact CG1-CE3 4.5Å; I50-W92 HydrophobicContact CG1-CG 4.39Å; S84-W92 CarbonylContact C-O 3.49Å; S84-W92 WeakPolarHBondContact CA-O 3.35Å; S84-W92 WeakPolarHBondContact CB-O 3.43Å; Y85-W92 PolarHBondContact N-O 3.17Å; Y85-W92 PolarHBondContact O-N 3.26Å; W92-I94 HydrophobicContact CB-CD1 4.43Å; W92-I94 HydrophobicContact CE3-CD1 4.45Å
93I93.8Very high94.6Very high2 Ų226.1 Ų26.11%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-114.6115.7176.1-56168.7000106.9K49 I51 I67 Y81 L91 M95K49-I93 HydrophobicContact CB-CB 4.22Å; K49-I93 HydrophobicContact CD-CD1 4.42Å; K49-I93 PolarHBondContact N-O 3.49Å; K49-I93 PolarHBondContact O-N 2.81Å; I51-I93 HydrophobicContact CD1-CD1 3.83Å; I67-I93 HydrophobicContact CD1-CD1 3.7Å; I67-I93 HydrophobicContact CD1-CG1 4.02Å; I67-I93 HydrophobicContact CG1-CD1 3.8Å; I67-I93 HydrophobicContact CG1-CG1 4.34Å; Y81-I93 HydrophobicContact CD2-CG2 4.08Å; Y81-I93 HydrophobicContact CE2-CG2 3.98Å; L91-I93 HydrophobicContact CD2-CD1 4.46Å; L91-I93 HydrophobicContact CD2-CG1 4.43Å; L91-I93 HydrophobicContact CG-CG1 4.22Å; I93-M95 HydrophobicContact CB-CE 4.37Å; I93-M95 HydrophobicContact CG2-CE 3.72Å
94I95.5Very high94.8Very high0 Ų028.9 Ų28.90%016%0.158CC..EExtended strand (participates in β ladder)trans-98.4125.1-177.4-44.8-58.4000108.4F20 V46 I48 F82 G83 Y85 W92F20-I94 HydrophobicContact CD1-CD1 4.46Å; F20-I94 HydrophobicContact CD1-CG2 4.22Å; F20-I94 HydrophobicContact CD2-CD1 3.87Å; F20-I94 HydrophobicContact CD2-CG1 4.14Å; F20-I94 HydrophobicContact CE1-CG1 4.3Å; F20-I94 HydrophobicContact CE1-CG2 3.69Å; F20-I94 HydrophobicContact CE2-CD1 3.99Å; F20-I94 HydrophobicContact CE2-CG1 3.72Å; F20-I94 HydrophobicContact CG-CD1 4.14Å; F20-I94 HydrophobicContact CZ-CB 4.34Å; F20-I94 HydrophobicContact CZ-CD1 4.34Å; F20-I94 HydrophobicContact CZ-CG1 3.81Å; F20-I94 HydrophobicContact CZ-CG2 3.92Å; V46-I94 HydrophobicContact CB-CG2 3.97Å; V46-I94 HydrophobicContact CG1-CG2 4.14Å; V46-I94 HydrophobicContact CG2-CG2 4.1Å; I48-I94 HydrophobicContact CB-CD1 4.38Å; I48-I94 HydrophobicContact CD1-CD1 4.49Å; I48-I94 HydrophobicContact CG1-CD1 4Å; I48-I94 HydrophobicContact CG2-CD1 3.92Å; F82-I94 HydrophobicContact CB-CB 4.23Å; F82-I94 HydrophobicContact CB-CG2 4.09Å; F82-I94 WeakPolarHBondContact CB-O 3.41Å; F82-I94 HydrophobicContact CD2-CG2 4.1Å; F82-I94 PolarHBondContact N-O 3.06Å; G83-I94 PolarHBondContact N-O 2.96Å; G83-I94 PolarHBondContact O-N 3.5Å; Y85-I94 HydrophobicContact CD2-CD1 4.47Å; Y85-I94 HydrophobicContact CD2-CG1 3.76Å; Y85-I94 HydrophobicContact CE2-CG1 3.58Å; W92-I94 HydrophobicContact CB-CD1 4.43Å; W92-I94 HydrophobicContact CE3-CD1 4.45Å
95M95.5Very high95Very high18 Ų1830.2 Ų30.29%0.08916%0.164CC..EExtended strand (participates in β ladder)trans-139.9167.2-178.267-17068.400111.1A47 K49 T79 R80 I93A47-M95 HydrophobicContact CB-CG 3.65Å; A47-M95 HydrophobicContact CB-SD 4.43Å; A47-M95 PolarHBondContact N-O 2.81Å; A47-M95 PolarHBondContact O-N 3.38Å; K49-M95 HydrophobicContact CB-CE 3.86Å; K49-M95 HydrophobicContact CD-CE 4.24Å; T79-M95 HydrophobicContact CG2-CB 4.16Å; T79-M95 HydrophobicContact CG2-CG 4.29Å; T79-M95 HydrophobicContact CG2-SD 4.23Å; R80-M95 CarbonylContact O-C 3.4Å; R80-M95 VanDerWaalsContact O-CA 3.27Å; R80-M95 WeakPolarHBondContact O-CA 3.28Å; R80-M95 WeakPolarHBondContact O-CB 3.45Å; I93-M95 HydrophobicContact CB-CE 4.37Å; I93-M95 HydrophobicContact CG2-CE 3.72Å
96E95.9Very high95.2Very high33 Ų3329.2 Ų29.215%0.15416%0.161CC..EExtended strand (participates in β ladder)trans-61.1144.5174.768.8176.5139.700111.9T79 R80 F82 L98 K155T79-E96 WeakPolarHBondContact CA-OE1 3.2Å; T79-E96 HydrophobicContact CG2-CG 3.71Å; R80-E96 HydrophobicContact CB-CB 4.16Å; R80-E96 HydrophobicContact CB-CG 3.96Å; R80-E96 WeakPolarHBondContact CB-OE1 3.44Å; R80-E96 PolarHBondContact N-OE1 2.94Å; R80-E96 PolarHBondContact O-N 3.17Å; F82-E96 HydrophobicContact CE2-CB 4.08Å; F82-E96 HydrophobicContact CZ-CB 3.96Å; E96-L98 HydrophobicContact CG-CG 4.44Å; E96-K155 WeakPolarHBondContact OE1-CD 3.36Å; E96-K155 WeakPolarHBondContact OE1-CE 3.41Å; E96-K155 IonicContact OE1-NZ 2.65Å; E96-K155 PolarHBondContact OE1-NZ 3.03Å; E96-K155 IonicContact OE2-NZ 3.26Å; E96-K155 PolarHBondContact OE2-NZ 3.26Å
97Y97.4Very high95.4Very high70 Ų7028 Ų2828%0.27515%0.154SC..  trans-91.4122.8176.3178.5-111.3000111.4I26 K36 V45 A47 G99I26-Y97 HydrophobicContact CD1-CD2 3.97Å; I26-Y97 HydrophobicContact CD1-CE2 3.67Å; K36-Y97 HydrophobicContact CD-CE1 4.42Å; K36-Y97 HydrophobicContact CD-CE2 4.4Å; K36-Y97 HydrophobicContact CG-CD2 4.42Å; K36-Y97 HydrophobicContact CG-CE2 4.19Å; V45-Y97 HydrophobicContact CB-CD1 4.3Å; V45-Y97 HydrophobicContact CG1-CD1 3.46Å; V45-Y97 VanDerWaalsContact CG1-CD1 3.46Å; V45-Y97 HydrophobicContact CG1-CE1 4.11Å; V45-Y97 HydrophobicContact CG1-CG 3.71Å; A47-Y97 HydrophobicContact CB-CD2 4.35Å; Y97-G99 VanDerWaalsContact CE1-CA 3.47Å
98L97.4Very high95.7Very high14 Ų1429.1 Ų29.17%0.07316%0.159CC..  trans-105.788178-69.4167.9000109.9E96 G100 G101 L147 L148 K155E96-L98 HydrophobicContact CG-CG 4.44Å; L98-G100 PolarHBondContact O-N 3.31Å; L98-G101 PolarHBondContact O-N 3.37Å; L98-L147 HydrophobicContact CB-CB 3.93Å; L98-L147 HydrophobicContact CB-CD1 4.5Å; L98-L147 HydrophobicContact CD1-CB 3.39Å; L98-L147 HydrophobicContact CD1-CD1 4.04Å; L98-L147 HydrophobicContact CD1-CG 4.35Å; L98-L147 HydrophobicContact CG-CB 4.29Å; L98-L148 CarbonylContact C-O 3.56Å; L98-L148 WeakPolarHBondContact CB-O 3.42Å; L98-K155 HydrophobicContact CD1-CB 3.91Å; L98-K155 HydrophobicContact CD1-CD 4.15Å; L98-K155 HydrophobicContact CD1-CG 4.31Å; L98-K155 HydrophobicContact CD2-CD 4.04Å; L98-K155 HydrophobicContact CD2-CG 4.42Å
99G96.2Very high96Very high16 Ų1625.5 Ų25.517%0.16513%0.133CC..THydrogen-bonded Turntrans-73.3-1.5-170.200000116.9Y97 G101Y97-G99 VanDerWaalsContact CE1-CA 3.47Å; G99-G101 VanDerWaalsContact C-N 3.32Å
100G97.1Very high96.2Very high2 Ų224.9 Ų24.92%0.02113%0.133CC..THydrogen-bonded Turntrans-78.6-14.2173.600000113.8L98 L148L98-G100 PolarHBondContact O-N 3.31Å; G100-L148 WeakPolarHBondContact CA-O 3.23Å; G100-L148 PolarHBondContact N-O 3.37Å
101G96Very high96.3Very high18 Ų1825.2 Ų25.219%0.18615%0.145CC..EExtended strand (participates in β ladder)trans85.8-177.3-174.700000112.9L98 G99 L148L98-G101 PolarHBondContact O-N 3.37Å; G99-G101 VanDerWaalsContact C-N 3.32Å; G101-L148 PolarHBondContact O-N 2.93Å
102S97.2Very high96.5Very high10 Ų1025.8 Ų25.87%0.0715%0.149CC..EExtended strand (participates in β ladder)trans-80.3160174.666.80000111.8L104 D105 L106 A144 V146S102-L104 PolarHBondContact O-N 2.99Å; S102-L104 PolarHBondContact OG-N 3.47Å; S102-D105 WeakPolarHBondContact CB-OD2 3.33Å; S102-D105 PolarHBondContact N-OD2 3.11Å; S102-D105 WeakPolarHBondContact O-CB 3.49Å; S102-D105 PolarHBondContact O-N 2.98Å; S102-D105 PolarHBondContact OG-N 2.73Å; S102-D105 PolarHBondContact OG-OD2 3.35Å; S102-L106 WeakPolarHBondContact O-CG 3.37Å; S102-L106 PolarHBondContact O-N 3.46Å; S102-L106 VanDerWaalsContact O-N 3.15Å; S102-A144 WeakPolarHBondContact CB-O 3.41Å; S102-V146 CarbonylContact C-O 3.43Å; S102-V146 VanDerWaalsContact CA-O 3.28Å; S102-V146 WeakPolarHBondContact CA-O 3.38Å
103A98.5Very high96.6Very high0 Ų031.5 Ų31.50%018%0.176CC..THydrogen-bonded Turntrans-62.3-26.6171.600000111.6L106 L107 A143 V146 L148 L208A103-L106 PolarHBondContact O-N 3.39Å; A103-L107 PolarHBondContact O-N 2.98Å; A103-A143 HydrophobicContact CB-CB 4.17Å; A103-A143 PolarHBondContact N-O 3.4Å; A103-V146 HydrophobicContact CB-CB 3.98Å; A103-V146 HydrophobicContact CB-CG1 4Å; A103-V146 PolarHBondContact N-O 2.93Å; A103-L148 HydrophobicContact CB-CD1 4.31Å; A103-L208 HydrophobicContact CB-CD2 3.86Å
104L97Very high96.9Very high66 Ų6632.9 Ų32.935%0.34618%0.182SC..THydrogen-bonded Turntrans-65.1-42.6169.8-178.762000112S102 L106 L107 A143 A144S102-L104 PolarHBondContact O-N 2.99Å; S102-L104 PolarHBondContact OG-N 3.47Å; L104-L106 VanDerWaalsContact C-N 3.26Å; L104-L106 PolarHBondContact O-N 3.35Å; L104-L107 HydrophobicContact CD1-CD1 4.28Å; L104-L107 WeakPolarHBondContact O-CB 3.46Å; L104-L107 PolarHBondContact O-N 3.19Å; L104-L107 VanDerWaalsContact O-N 3.12Å; L104-A143 HydrophobicContact CB-CB 4.09Å; L104-A143 PolarHBondContact N-O 3.11Å; L104-A144 HydrophobicContact CB-CB 4.39Å; L104-A144 HydrophobicContact CD2-CB 3.96Å
105D97.1Very high97Very high33 Ų3334.2 Ų34.218%0.17619%0.19CC..G310 helixtrans-60-38.6174.7-68.7-56.7000112.1S102 L107 K108 Y287S102-D105 WeakPolarHBondContact CB-OD2 3.33Å; S102-D105 PolarHBondContact N-OD2 3.11Å; S102-D105 WeakPolarHBondContact O-CB 3.49Å; S102-D105 PolarHBondContact O-N 2.98Å; S102-D105 PolarHBondContact OG-N 2.73Å; S102-D105 PolarHBondContact OG-OD2 3.35Å; D105-L107 PolarHBondContact O-N 2.96Å; D105-K108 WeakPolarHBondContact O-CB 3.48Å; D105-K108 PolarHBondContact O-N 3.43Å; D105-K108 VanDerWaalsContact O-N 3.09Å; D105-K108 IonicContact OD1-NZ 3.34Å; D105-K108 PolarHBondContact OD1-NZ 3.1Å; D105-Y287 HydrophobicContact CB-CD1 4.35Å; D105-Y287 HydrophobicContact CB-CE1 3.73Å; D105-Y287 HydrophobicContact CB-CE2 4.21Å; D105-Y287 PolarHBondContact OD1-OH 2.93Å
106L98.1Very high97.2Very high1 Ų134.3 Ų34.31%0.00519%0.19CC..G310 helixtrans-68.3-15.4178.9-60.1-175.1000113.7S102 A103 L104 L148 L283 I284 Y287S102-L106 WeakPolarHBondContact O-CG 3.37Å; S102-L106 PolarHBondContact O-N 3.46Å; S102-L106 VanDerWaalsContact O-N 3.15Å; A103-L106 PolarHBondContact O-N 3.39Å; L104-L106 VanDerWaalsContact C-N 3.26Å; L104-L106 PolarHBondContact O-N 3.35Å; L106-L148 HydrophobicContact CD1-CD1 3.69Å; L106-L148 HydrophobicContact CD1-CD2 3.72Å; L106-L148 HydrophobicContact CD1-CG 4.28Å; L106-L283 HydrophobicContact CD1-CB 4.04Å; L106-L283 HydrophobicContact CD1-CD1 4.24Å; L106-L283 HydrophobicContact CD2-CB 4.29Å; L106-I284 HydrophobicContact CD2-CG1 4.33Å; L106-Y287 HydrophobicContact CD2-CD1 4.25Å; L106-Y287 HydrophobicContact CD2-CG 4.28Å
107L97.8Very high97.3Very high18 Ų1832.8 Ų32.89%0.09418%0.182CC..G310 helixtrans-79.6-22.3172.2-70.5164.3000112.7A103 L104 D105 G110 L112 L208A103-L107 PolarHBondContact O-N 2.98Å; L104-L107 HydrophobicContact CD1-CD1 4.28Å; L104-L107 WeakPolarHBondContact O-CB 3.46Å; L104-L107 PolarHBondContact O-N 3.19Å; L104-L107 VanDerWaalsContact O-N 3.12Å; D105-L107 PolarHBondContact O-N 2.96Å; L107-G110 CarbonylContact O-C 3.43Å; L107-G110 WeakPolarHBondContact O-CA 3.45Å; L107-G110 PolarHBondContact O-N 2.86Å; L107-L112 HydrophobicContact CD2-CD1 4.01Å; L107-L112 HydrophobicContact CD2-CG 3.72Å; L107-L112 HydrophobicContact CG-CD1 4.44Å; L107-L112 HydrophobicContact CG-CG 4.5Å; L107-L208 HydrophobicContact CD1-CD2 4.37Å
108K96.5Very high97.4Very high71 Ų7129.4 Ų29.431%0.30917%0.169SC..THydrogen-bonded Turntrans-59-43.4-175.2-65.9172.8173165.90113.8D105 G110 Y287 W290 S299D105-K108 WeakPolarHBondContact O-CB 3.48Å; D105-K108 PolarHBondContact O-N 3.43Å; D105-K108 VanDerWaalsContact O-N 3.09Å; D105-K108 IonicContact OD1-NZ 3.34Å; D105-K108 PolarHBondContact OD1-NZ 3.1Å; K108-G110 PolarHBondContact O-N 3.26Å; K108-G110 VanDerWaalsContact O-N 3.09Å; K108-Y287 HydrophobicContact CD-CE2 4.14Å; K108-W290 HydrophobicContact CB-CE3 4.47Å; K108-W290 HydrophobicContact CB-CH2 3.94Å; K108-W290 HydrophobicContact CB-CZ2 4.09Å; K108-W290 HydrophobicContact CB-CZ3 4.14Å; K108-W290 HydrophobicContact CD-CH2 4.14Å; K108-W290 HydrophobicContact CD-CZ3 4.13Å; K108-S299 PolarHBondContact NZ-OG 3.34Å
109P96.1Very high97.4Very high27 Ų2728.8 Ų28.818%0.17517%0.166CC..THydrogen-bonded Turntrans-69-4.3175.9-19.834.6000113.8R286 Y287 W290P109-R286 HydrophobicContact CB-CG 3.86Å; P109-R286 HydrophobicContact CG-CG 4.33Å; P109-R286 PolarHBondContact O-NH2 3.44Å; P109-Y287 HydrophobicContact CG-CD2 3.98Å; P109-W290 HydrophobicContact CB-CB 4.01Å; P109-W290 HydrophobicContact CB-CG 3.98Å; P109-W290 HydrophobicContact CG-CB 3.79Å; P109-W290 HydrophobicContact CG-CD2 4.25Å; P109-W290 HydrophobicContact CG-CG 3.86Å
110G95.5Very high97.6Very high20 Ų2028 Ų2821%0.20616%0.158CC..SBendtrans126.1-177.4178.900000113.4L107 K108 R286L107-G110 CarbonylContact O-C 3.43Å; L107-G110 WeakPolarHBondContact O-CA 3.45Å; L107-G110 PolarHBondContact O-N 2.86Å; K108-G110 PolarHBondContact O-N 3.26Å; K108-G110 VanDerWaalsContact O-N 3.09Å; G110-R286 PolarHBondContact O-NH2 3.35Å
111P95.6Very high97.7Very high105 Ų10527.9 Ų27.968%0.68216%0.157SC*.PPolyproline II helixtrans-64.1155.9-16826.5-35.5000113.5R286P111-R286 PolarHBondContact O-NH1 2.91Å; P111-R286 VanDerWaalsContact O-NH1 3.16Å
112L98Very high97.8Very high13 Ų1329.7 Ų29.77%0.06816%0.158CC..PPolyproline II helixtrans-97.2137176.4-55.7-173.8000110.9L107 I117 I120 L208 L283L107-L112 HydrophobicContact CD2-CD1 4.01Å; L107-L112 HydrophobicContact CD2-CG 3.72Å; L107-L112 HydrophobicContact CG-CD1 4.44Å; L107-L112 HydrophobicContact CG-CG 4.5Å; L112-I117 HydrophobicContact CB-CD1 4.23Å; L112-I117 HydrophobicContact CB-CG1 3.83Å; L112-I120 HydrophobicContact CD1-CD1 4.21Å; L112-L208 HydrophobicContact CD1-CD2 4.21Å; L112-L283 HydrophobicContact CD1-CD1 4.29Å; L112-L283 HydrophobicContact CD2-CD1 3.64Å; L112-L283 HydrophobicContact CD2-CD2 3.64Å; L112-L283 HydrophobicContact CD2-CG 4.27Å
113E97.7Very high97.9Very high125 Ų12529.6 Ų29.658%0.58416%0.157SC*.PPolyproline II helixtrans-70.5151.5168.9-57.6179.7-175.800111.3T115 Y116 I117E113-T115 PolarHBondContact O-N 3.22Å; E113-Y116 HydrophobicContact CB-CD2 3.85Å; E113-Y116 HydrophobicContact CB-CE2 4.26Å; E113-Y116 HydrophobicContact CG-CD2 4.37Å; E113-Y116 HydrophobicContact CG-CE2 4.36Å; E113-Y116 WeakPolarHBondContact O-CB 3.31Å; E113-Y116 PolarHBondContact O-N 3.13Å; E113-I117 PolarHBondContact O-N 3.27Å
114E98.5Very high97.9Very high31 Ų3129.7 Ų29.715%0.14516%0.157CC..Hα-helixtrans-56.3-27.2-178.3-67.5-169-169.100114.2I117 A118 H239 S240 F243 F269E114-I117 PolarHBondContact O-N 3.41Å; E114-A118 VanDerWaalsContact O-CB 3.22Å; E114-A118 WeakPolarHBondContact O-CB 3.38Å; E114-A118 PolarHBondContact O-N 3.28Å; E114-H239 WeakPolarHBondContact OE1-CA 3.19Å; E114-H239 VanDerWaalsContact OE1-CB 3.31Å; E114-H239 WeakPolarHBondContact OE1-CB 3.35Å; E114-H239 IonicContact OE1-CG 2.55Å; E114-H239 IonicContact OE1-ND1 2.95Å; E114-H239 PolarHBondContact OE1-ND1 3.37Å; E114-S240 PolarHBondContact OE1-N 3.09Å; E114-S240 WeakPolarHBondContact OE2-CB 3.29Å; E114-S240 PolarHBondContact OE2-OG 2.7Å; E114-F243 HydrophobicContact CG-CD1 3.78Å; E114-F243 HydrophobicContact CG-CE1 4.24Å; E114-F269 HydrophobicContact CB-CE2 4.07Å; E114-F269 HydrophobicContact CB-CZ 4.22Å
115T98.5Very high98Very high28 Ų2826.6 Ų26.617%0.17214%0.141CC..Hα-helixtrans-65.2-41.3176.1-59.70000111.7E113 T119 Y273 K275 F279E113-T115 PolarHBondContact O-N 3.22Å; T115-T119 WeakPolarHBondContact O-CB 3.49Å; T115-T119 PolarHBondContact O-N 3.42Å; T115-T119 PolarHBondContact O-OG1 3.04Å; T115-Y273 WeakPolarHBondContact CG2-O 3.49Å; T115-K275 HydrophobicContact CG2-CB 4.44Å; T115-K275 HydrophobicContact CG2-CD 3.52Å; T115-K275 HydrophobicContact CG2-CG 3.7Å; T115-F279 HydrophobicContact CG2-CD1 4.11Å; T115-F279 HydrophobicContact CG2-CE1 3.58Å; T115-F279 HydrophobicContact CG2-CZ 4.31Å
116Y98.7Very high98.1Very high19 Ų1927.5 Ų27.58%0.07514%0.143CC..Hα-helixtrans-67.1-47.1174.6-65.3-70.4000110.5E113 A118 T119 I120 F279 L280 E282 L283E113-Y116 HydrophobicContact CB-CD2 3.85Å; E113-Y116 HydrophobicContact CB-CE2 4.26Å; E113-Y116 HydrophobicContact CG-CD2 4.37Å; E113-Y116 HydrophobicContact CG-CE2 4.36Å; E113-Y116 WeakPolarHBondContact O-CB 3.31Å; E113-Y116 PolarHBondContact O-N 3.13Å; Y116-A118 PolarHBondContact O-N 2.71Å; Y116-T119 PolarHBondContact O-N 3.44Å; Y116-T119 VanDerWaalsContact O-N 3.11Å; Y116-I120 WeakPolarHBondContact O-CG1 3.5Å; Y116-I120 PolarHBondContact O-N 3.37Å; Y116-F279 AromaticContact CD1-CD1 3.76Å; Y116-F279 HydrophobicContact CD1-CD1 3.76Å; Y116-F279 AromaticContact CD1-CE1 3.54Å; Y116-F279 HydrophobicContact CD1-CE1 3.54Å; Y116-F279 HydrophobicContact CD1-CZ 4.45Å; Y116-F279 HydrophobicContact CD2-CE1 4.39Å; Y116-F279 AromaticContact CE1-CD1 3.55Å; Y116-F279 HydrophobicContact CE1-CD1 3.55Å; Y116-F279 AromaticContact CE1-CE1 3.18Å; Y116-F279 HydrophobicContact CE1-CE1 3.18Å; Y116-F279 HydrophobicContact CE1-CE2 4.45Å; Y116-F279 HydrophobicContact CE1-CG 4.34Å; Y116-F279 AromaticContact CE1-CZ 3.69Å; Y116-F279 HydrophobicContact CE1-CZ 3.69Å; Y116-F279 HydrophobicContact CE2-CE1 4.1Å; Y116-F279 HydrophobicContact CE2-CZ 4.28Å; Y116-F279 HydrophobicContact CG-CE1 4.13Å; Y116-F279 AromaticContact CZ-CE1 3.5Å; Y116-F279 VanDerWaalsContact CZ-CE1 3.5Å; Y116-F279 AromaticContact CZ-CZ 3.59Å; Y116-L280 HydrophobicContact CD1-CD2 3.77Å; Y116-E282 HydrophobicContact CE1-CB 4.32Å; Y116-E282 WeakPolarHBondContact OH-CB 3.43Å; Y116-E282 PolarHBondContact OH-OE2 3.07Å; Y116-L283 HydrophobicContact CD1-CD1 3.51Å; Y116-L283 HydrophobicContact CD1-CD2 4.12Å; Y116-L283 HydrophobicContact CD1-CG 3.53Å; Y116-L283 HydrophobicContact CD2-CD1 4.32Å; Y116-L283 HydrophobicContact CD2-CD2 4.03Å; Y116-L283 HydrophobicContact CD2-CG 4.32Å; Y116-L283 HydrophobicContact CE1-CD1 4.18Å; Y116-L283 HydrophobicContact CE1-CD2 4.09Å; Y116-L283 HydrophobicContact CE1-CG 3.66Å; Y116-L283 HydrophobicContact CE2-CD2 4Å; Y116-L283 HydrophobicContact CE2-CG 4.44Å; Y116-L283 HydrophobicContact CG-CD1 3.6Å; Y116-L283 HydrophobicContact CG-CD2 4.11Å; Y116-L283 HydrophobicContact CG-CG 3.9Å
117I98.8Very high98.1Very high1 Ų127.5 Ų27.51%0.00514%0.143CC..Hα-helixtrans-58.6-48.6179.1-57.8173.7000110.7L112 E113 E114 T119 I120 L121 L208 A209 F243L112-I117 HydrophobicContact CB-CD1 4.23Å; L112-I117 HydrophobicContact CB-CG1 3.83Å; E113-I117 PolarHBondContact O-N 3.27Å; E114-I117 PolarHBondContact O-N 3.41Å; I117-T119 VanDerWaalsContact C-N 3.25Å; I117-T119 PolarHBondContact O-N 3.04Å; I117-I120 PolarHBondContact O-N 3.02Å; I117-L121 HydrophobicContact CG2-CD1 3.66Å; I117-L121 HydrophobicContact CG2-CG 4.11Å; I117-L121 WeakPolarHBondContact O-CB 3.46Å; I117-L121 VanDerWaalsContact O-CG 3.27Å; I117-L121 WeakPolarHBondContact O-CG 3.49Å; I117-L121 PolarHBondContact O-N 3.31Å; I117-L208 HydrophobicContact CD1-CB 4.38Å; I117-L208 WeakPolarHBondContact CD1-O 3.26Å; I117-L208 HydrophobicContact CG1-CB 4.13Å; I117-L208 HydrophobicContact CG2-CB 4.02Å; I117-L208 HydrophobicContact CG2-CD1 4.23Å; I117-A209 HydrophobicContact CD1-CB 4.08Å; I117-F243 HydrophobicContact CD1-CE1 4.06Å; I117-F243 HydrophobicContact CD1-CZ 4.26Å; I117-F243 HydrophobicContact CG2-CE1 4.4Å; I117-F243 HydrophobicContact CG2-CE2 4.17Å; I117-F243 HydrophobicContact CG2-CZ 3.7Å
118A98.9Very high98.1Very high0 Ų026.6 Ų26.60%014%0.139CC..Hα-helixtrans-58.6-38.9177.400000112E114 Y116 R122 F269 T274E114-A118 VanDerWaalsContact O-CB 3.22Å; E114-A118 WeakPolarHBondContact O-CB 3.38Å; E114-A118 PolarHBondContact O-N 3.28Å; Y116-A118 PolarHBondContact O-N 2.71Å; A118-R122 WeakPolarHBondContact O-CB 3.45Å; A118-R122 PolarHBondContact O-N 3.04Å; A118-F269 HydrophobicContact CB-CD1 4.32Å; A118-F269 HydrophobicContact CB-CE1 3.79Å; A118-F269 HydrophobicContact CB-CE2 4.24Å; A118-F269 HydrophobicContact CB-CZ 3.74Å; A118-T274 PolarHBondContact O-OG1 2.9Å
119T98.8Very high98.2Very high0 Ų025.7 Ų25.70%014%0.137CC..Hα-helixtrans-68.2-44.3178.7-53.10000112.1T115 Y116 I117 R122 E123 T274 K275 L280T115-T119 WeakPolarHBondContact O-CB 3.49Å; T115-T119 PolarHBondContact O-N 3.42Å; T115-T119 PolarHBondContact O-OG1 3.04Å; Y116-T119 PolarHBondContact O-N 3.44Å; Y116-T119 VanDerWaalsContact O-N 3.11Å; I117-T119 VanDerWaalsContact C-N 3.25Å; I117-T119 PolarHBondContact O-N 3.04Å; T119-R122 PolarHBondContact O-N 3.31Å; T119-E123 PolarHBondContact O-N 2.9Å; T119-T274 HydrophobicContact CG2-CG2 4.1Å; T119-K275 PolarHBondContact OG1-N 2.76Å; T119-L280 HydrophobicContact CG2-CD1 4.06Å; T119-L280 HydrophobicContact CG2-CD2 4.02Å; T119-L280 HydrophobicContact CG2-CG 4.01Å
120I98.9Very high98.2Very high0 Ų026.6 Ų26.60%014%0.137CC..Hα-helixtrans-61.9-50.7174.6-67.6167.4000110.3L112 Y116 I117 R122 E123 I124 V146 V154 L208 L280L112-I120 HydrophobicContact CD1-CD1 4.21Å; Y116-I120 WeakPolarHBondContact O-CG1 3.5Å; Y116-I120 PolarHBondContact O-N 3.37Å; I117-I120 PolarHBondContact O-N 3.02Å; I120-R122 VanDerWaalsContact C-N 3.29Å; I120-R122 PolarHBondContact O-N 3.07Å; I120-E123 PolarHBondContact O-N 3.47Å; I120-E123 VanDerWaalsContact O-N 3.12Å; I120-I124 HydrophobicContact CG2-CD1 3.75Å; I120-I124 HydrophobicContact CG2-CG1 4.4Å; I120-I124 WeakPolarHBondContact O-CG1 3.47Å; I120-I124 PolarHBondContact O-N 3.43Å; I120-V146 HydrophobicContact CG2-CG1 3.94Å; I120-V154 HydrophobicContact CG1-CG2 4.41Å; I120-V154 HydrophobicContact CG2-CG1 4.3Å; I120-L208 HydrophobicContact CG2-CD1 3.99Å; I120-L280 HydrophobicContact CG1-CD1 3.87Å; I120-L280 HydrophobicContact CG1-CD2 4.14Å
121L98.9Very high98.2Very high0 Ų025.6 Ų25.60%013%0.127CC..Hα-helixtrans-61.8-34.5179.7-67.8174.5000112.5I117 I124 L125 L201 A205 L208 F243 F246 F269 I270I117-L121 HydrophobicContact CG2-CD1 3.66Å; I117-L121 HydrophobicContact CG2-CG 4.11Å; I117-L121 WeakPolarHBondContact O-CB 3.46Å; I117-L121 VanDerWaalsContact O-CG 3.27Å; I117-L121 WeakPolarHBondContact O-CG 3.49Å; I117-L121 PolarHBondContact O-N 3.31Å; L121-I124 HydrophobicContact CD2-CD1 4.21Å; L121-I124 PolarHBondContact O-N 3.39Å; L121-L125 VanDerWaalsContact O-CB 3.31Å; L121-L125 WeakPolarHBondContact O-CB 3.17Å; L121-L125 WeakPolarHBondContact O-CD1 3.5Å; L121-L125 WeakPolarHBondContact O-CG 3.27Å; L121-L125 PolarHBondContact O-N 3.22Å; L121-L201 HydrophobicContact CD2-CD1 3.55Å; L121-L201 HydrophobicContact CD2-CG 4.39Å; L121-A205 HydrophobicContact CD1-CB 3.8Å; L121-A205 HydrophobicContact CD2-CB 4.08Å; L121-L208 HydrophobicContact CD2-CD1 4.22Å; L121-L208 HydrophobicContact CG-CD1 4.44Å; L121-F243 HydrophobicContact CD1-CE2 4.26Å; L121-F246 HydrophobicContact CD1-CD1 4.39Å; L121-F246 HydrophobicContact CD1-CE1 3.86Å; L121-F246 HydrophobicContact CD1-CZ 4.4Å; L121-F269 HydrophobicContact CD1-CE1 4.01Å; L121-I270 HydrophobicContact CB-CD1 3.97Å
122R98.9Very high98.2Very high55 Ų5521.6 Ų21.621%0.20810%0.1CC..Hα-helixtrans-59.9-46.6174-172.2-169.763.6-155-17.7111A118 T119 I120 L125 K126 L265 I270 T274 K275A118-R122 WeakPolarHBondContact O-CB 3.45Å; A118-R122 PolarHBondContact O-N 3.04Å; T119-R122 PolarHBondContact O-N 3.31Å; I120-R122 VanDerWaalsContact C-N 3.29Å; I120-R122 PolarHBondContact O-N 3.07Å; R122-L125 WeakPolarHBondContact O-CB 3.48Å; R122-L125 PolarHBondContact O-N 3.37Å; R122-K126 WeakPolarHBondContact O-CG 3.13Å; R122-K126 PolarHBondContact O-N 3.35Å; R122-K126 VanDerWaalsContact O-N 3.1Å; R122-L265 HydrophobicContact CG-CD2 4.02Å; R122-I270 HydrophobicContact CB-CG2 3.85Å; R122-I270 HydrophobicContact CG-CG2 3.71Å; R122-T274 HydrophobicContact CB-CG2 4.05Å; R122-T274 HydrophobicContact CG-CG2 4.42Å; R122-K275 PolarHBondContact NH1-O 3.43Å; R122-K275 PolarHBondContact NH2-O 3.48Å; R122-K275 VanDerWaalsContact NH2-O 3.09Å
123E98.8Very high98Very high9 Ų924.8 Ų24.84%0.04212%0.123CC..Hα-helixtrans-70.7-39.4-178.7-60.5-44105.100111.9Y77 T119 I120 L125 K126 G127 V154 T277Y77-E123 WeakPolarHBondContact CE1-OE2 3.5Å; T119-E123 PolarHBondContact O-N 2.9Å; I120-E123 PolarHBondContact O-N 3.47Å; I120-E123 VanDerWaalsContact O-N 3.12Å; E123-L125 VanDerWaalsContact C-N 3.28Å; E123-L125 PolarHBondContact O-N 2.94Å; E123-K126 VanDerWaalsContact CD-NZ 3.29Å; E123-K126 WeakPolarHBondContact O-CB 3.44Å; E123-K126 PolarHBondContact O-N 2.98Å; E123-K126 VanDerWaalsContact O-N 3.1Å; E123-K126 WeakPolarHBondContact OE1-CE 3.45Å; E123-K126 IonicContact OE1-NZ 2.82Å; E123-K126 PolarHBondContact OE1-NZ 2.84Å; E123-K126 IonicContact OE2-NZ 2.78Å; E123-K126 PolarHBondContact OE2-NZ 3.14Å; E123-G127 PolarHBondContact O-N 3.23Å; E123-V154 HydrophobicContact CB-CB 3.56Å; E123-V154 HydrophobicContact CB-CG1 4.04Å; E123-V154 HydrophobicContact CB-CG2 4.2Å; E123-V154 HydrophobicContact CG-CB 3.91Å; E123-V154 HydrophobicContact CG-CG2 4.09Å; E123-T277 HydrophobicContact CG-CG2 3.8Å
124I98.8Very high97.7Very high2 Ų223.3 Ų23.31%0.0112%0.116CC..Hα-helixtrans-55.7-46.4170.8-65.8165.5000110.3I120 L121 K126 G127 L128 V146 V154 L156 L201I120-I124 HydrophobicContact CG2-CD1 3.75Å; I120-I124 HydrophobicContact CG2-CG1 4.4Å; I120-I124 WeakPolarHBondContact O-CG1 3.47Å; I120-I124 PolarHBondContact O-N 3.43Å; L121-I124 HydrophobicContact CD2-CD1 4.21Å; L121-I124 PolarHBondContact O-N 3.39Å; I124-K126 VanDerWaalsContact C-N 3.29Å; I124-K126 PolarHBondContact O-N 3.37Å; I124-G127 CarbonylContact O-C 3.47Å; I124-G127 WeakPolarHBondContact O-CA 3.28Å; I124-G127 PolarHBondContact O-N 2.87Å; I124-G127 VanDerWaalsContact O-N 3.09Å; I124-L128 HydrophobicContact CG2-CD1 3.99Å; I124-L128 HydrophobicContact CG2-CG 4.21Å; I124-L128 WeakPolarHBondContact O-CG 3.35Å; I124-L128 PolarHBondContact O-N 2.83Å; I124-V146 HydrophobicContact CD1-CB 4.46Å; I124-V146 HydrophobicContact CD1-CG1 3.99Å; I124-V146 HydrophobicContact CD1-CG2 3.6Å; I124-V146 HydrophobicContact CG1-CG1 4.05Å; I124-V146 HydrophobicContact CG1-CG2 3.94Å; I124-V154 HydrophobicContact CG1-CG1 4.48Å; I124-L156 HydrophobicContact CB-CD2 4.47Å; I124-L156 HydrophobicContact CG1-CD2 4.15Å; I124-L156 HydrophobicContact CG2-CD2 4.01Å; I124-L201 HydrophobicContact CB-CD1 4.2Å; I124-L201 HydrophobicContact CD1-CD1 4.43Å; I124-L201 HydrophobicContact CG2-CD1 3.51Å
125L98.9Very high97.4Very high0 Ų033.2 Ų33.20%015%0.152CC..Hα-helixtrans-61.2-35178.2-79.1168.7000113L121 R122 E123 D129 L201 F246 A261 L264 L265 I270L121-L125 VanDerWaalsContact O-CB 3.31Å; L121-L125 WeakPolarHBondContact O-CB 3.17Å; L121-L125 WeakPolarHBondContact O-CD1 3.5Å; L121-L125 WeakPolarHBondContact O-CG 3.27Å; L121-L125 PolarHBondContact O-N 3.22Å; R122-L125 WeakPolarHBondContact O-CB 3.48Å; R122-L125 PolarHBondContact O-N 3.37Å; E123-L125 VanDerWaalsContact C-N 3.28Å; E123-L125 PolarHBondContact O-N 2.94Å; L125-D129 WeakPolarHBondContact O-CB 3.33Å; L125-D129 PolarHBondContact O-N 3.46Å; L125-L201 HydrophobicContact CD2-CD2 3.37Å; L125-L201 HydrophobicContact CG-CD2 3.89Å; L125-F246 HydrophobicContact CD1-CE2 4.03Å; L125-F246 HydrophobicContact CD1-CZ 4.08Å; L125-A261 HydrophobicContact CD2-CB 4.02Å; L125-L264 HydrophobicContact CD1-CB 3.85Å; L125-L264 HydrophobicContact CD2-CB 3.5Å; L125-L264 HydrophobicContact CD2-CD1 3.81Å; L125-L264 HydrophobicContact CD2-CG 4.32Å; L125-L264 HydrophobicContact CG-CB 4.35Å; L125-L265 HydrophobicContact CB-CD2 3.57Å; L125-L265 HydrophobicContact CB-CG 3.89Å; L125-L265 HydrophobicContact CD1-CD2 4.33Å; L125-I270 HydrophobicContact CD1-CD1 3.96Å; L125-I270 HydrophobicContact CD1-CG1 3.85Å
126K98.8Very high96.9Very high53 Ų5333.1 Ų33.123%0.2315%0.149CC..Hα-helixtrans-69.1-38.7173.4-64.6177.8-168.8163.90111.7Y77 R122 E123 I124 D129 Y130 L265Y77-K126 HydrophobicContact CD1-CB 4.02Å; Y77-K126 HydrophobicContact CD1-CD 4.14Å; Y77-K126 HydrophobicContact CD2-CB 3.66Å; Y77-K126 HydrophobicContact CE1-CB 4.08Å; Y77-K126 HydrophobicContact CE1-CD 3.44Å; Y77-K126 VanDerWaalsContact CE1-CD 3.44Å; Y77-K126 HydrophobicContact CE1-CG 4.47Å; Y77-K126 HydrophobicContact CE2-CB 3.71Å; Y77-K126 HydrophobicContact CE2-CD 3.87Å; Y77-K126 HydrophobicContact CE2-CG 4.41Å; Y77-K126 HydrophobicContact CG-CB 3.82Å; Y77-K126 WeakPolarHBondContact OH-CD 3.48Å; Y77-K126 PolarHBondContact OH-NZ 3.39Å; R122-K126 WeakPolarHBondContact O-CG 3.13Å; R122-K126 PolarHBondContact O-N 3.35Å; R122-K126 VanDerWaalsContact O-N 3.1Å; E123-K126 VanDerWaalsContact CD-NZ 3.29Å; E123-K126 WeakPolarHBondContact O-CB 3.44Å; E123-K126 PolarHBondContact O-N 2.98Å; E123-K126 VanDerWaalsContact O-N 3.1Å; E123-K126 WeakPolarHBondContact OE1-CE 3.45Å; E123-K126 IonicContact OE1-NZ 2.82Å; E123-K126 PolarHBondContact OE1-NZ 2.84Å; E123-K126 IonicContact OE2-NZ 2.78Å; E123-K126 PolarHBondContact OE2-NZ 3.14Å; I124-K126 VanDerWaalsContact C-N 3.29Å; I124-K126 PolarHBondContact O-N 3.37Å; K126-D129 PolarHBondContact O-N 3.04Å; K126-Y130 WeakPolarHBondContact O-CB 3.49Å; K126-Y130 PolarHBondContact O-N 3.23Å; K126-L265 HydrophobicContact CG-CD1 4.34Å; K126-L265 HydrophobicContact CG-CD2 3.92Å
127G98.2Very high96.5Very high0 Ų034 Ų340%016%0.155CC..Hα-helixtrans-60.9-46.3171.900000112.2E123 I124 Y130 L131E123-G127 PolarHBondContact O-N 3.23Å; I124-G127 CarbonylContact O-C 3.47Å; I124-G127 WeakPolarHBondContact O-CA 3.28Å; I124-G127 PolarHBondContact O-N 2.87Å; I124-G127 VanDerWaalsContact O-N 3.09Å; G127-Y130 WeakPolarHBondContact O-CB 3.5Å; G127-Y130 PolarHBondContact O-N 3.26Å; G127-L131 WeakPolarHBondContact O-CG 3.35Å; G127-L131 PolarHBondContact O-N 3.27Å
128L98Very high96.2Very high0 Ų034 Ų340%016%0.155CC..Hα-helixtrans-65.5-42.8176.2-69.8178.6000112.5I124 Y130 L131 H132 H138 I141 L156 D197 I198 L201 A261I124-L128 HydrophobicContact CG2-CD1 3.99Å; I124-L128 HydrophobicContact CG2-CG 4.21Å; I124-L128 WeakPolarHBondContact O-CG 3.35Å; I124-L128 PolarHBondContact O-N 2.83Å; L128-Y130 VanDerWaalsContact C-N 3.29Å; L128-Y130 PolarHBondContact O-N 3.45Å; L128-L131 PolarHBondContact O-N 2.71Å; L128-H132 VanDerWaalsContact O-CB 3.25Å; L128-H132 WeakPolarHBondContact O-CB 3.48Å; L128-H132 PolarHBondContact O-CD2 2.74Å; L128-H132 VanDerWaalsContact O-CD2 3.28Å; L128-H132 PolarHBondContact O-N 3.05Å; L128-H138 HydrophobicContact CD2-CB 4.31Å; L128-I141 HydrophobicContact CD2-CD1 3.84Å; L128-I141 HydrophobicContact CD2-CG1 4.13Å; L128-L156 HydrophobicContact CD2-CD1 4.13Å; L128-L156 HydrophobicContact CG-CD1 4.24Å; L128-D197 HydrophobicContact CD1-CB 4.39Å; L128-D197 HydrophobicContact CD2-CB 3.79Å; L128-I198 HydrophobicContact CD1-CD1 4.41Å; L128-L201 HydrophobicContact CD1-CB 4.39Å; L128-L201 HydrophobicContact CD1-CD2 4.21Å; L128-A261 HydrophobicContact CB-CB 3.78Å
129D98.3Very high95.7Very high52 Ų5238.6 Ų38.628%0.27817%0.172SC..Hα-helixtrans-58.4-43.7175.9-172.142.7000111.1L125 K126 S133 A261 K262 L265L125-D129 WeakPolarHBondContact O-CB 3.33Å; L125-D129 PolarHBondContact O-N 3.46Å; K126-D129 PolarHBondContact O-N 3.04Å; D129-S133 VanDerWaalsContact O-CB 3.26Å; D129-S133 WeakPolarHBondContact O-CB 3.28Å; D129-S133 PolarHBondContact O-N 3.12Å; D129-S133 PolarHBondContact O-OG 3.46Å; D129-A261 HydrophobicContact CB-CB 4.1Å; D129-K262 WeakPolarHBondContact OD1-CB 3.47Å; D129-L265 HydrophobicContact CB-CD1 4.45Å
130Y97.3Very high95.2Very high45 Ų4540.5 Ų40.518%0.17618%0.182CC..Hα-helixtrans-58.1-56.2172.6169.2-101.1000111.9C73 D74 S75 I78 K126 G127 L128 H132 S133 E134C73-Y130 HydrophobicContact CB-CE1 4.21Å; D74-Y130 PolarHBondContact N-OH 2.83Å; D74-Y130 PolarHBondContact O-OH 2.93Å; S75-Y130 VanDerWaalsContact CB-CD1 3.48Å; I78-Y130 HydrophobicContact CG1-CD1 3.86Å; I78-Y130 HydrophobicContact CG1-CE1 4.11Å; K126-Y130 WeakPolarHBondContact O-CB 3.49Å; K126-Y130 PolarHBondContact O-N 3.23Å; G127-Y130 WeakPolarHBondContact O-CB 3.5Å; G127-Y130 PolarHBondContact O-N 3.26Å; L128-Y130 VanDerWaalsContact C-N 3.29Å; L128-Y130 PolarHBondContact O-N 3.45Å; Y130-H132 VanDerWaalsContact C-N 3.35Å; Y130-H132 PolarHBondContact O-N 3.45Å; Y130-S133 PolarHBondContact O-N 2.85Å; Y130-S133 PolarHBondContact O-OG 2.89Å; Y130-E134 HydrophobicContact CD2-CG 4.43Å; Y130-E134 HydrophobicContact CE2-CG 3.97Å; Y130-E134 WeakPolarHBondContact O-CG 3.42Å; Y130-E134 PolarHBondContact O-N 2.88Å; Y130-E134 VanDerWaalsContact O-N 3.09Å
131L94.7Very high95.1Very high0 Ų040.6 Ų40.60%018%0.183CC..Hα-helixtrans-59-45.4-178-70.5176.8000112.4I78 G127 L128 S133 E134 R135 K136 H138 L156 F159I78-L131 HydrophobicContact CD1-CD1 3.77Å; I78-L131 HydrophobicContact CD1-CD2 4.09Å; I78-L131 HydrophobicContact CD1-CG 3.83Å; I78-L131 HydrophobicContact CG1-CD2 4.34Å; I78-L131 HydrophobicContact CG1-CG 4.49Å; G127-L131 WeakPolarHBondContact O-CG 3.35Å; G127-L131 PolarHBondContact O-N 3.27Å; L128-L131 PolarHBondContact O-N 2.71Å; L131-S133 VanDerWaalsContact C-N 3.31Å; L131-S133 PolarHBondContact O-N 3.02Å; L131-E134 CarbonylContact O-C 3.55Å; L131-E134 WeakPolarHBondContact O-CA 3.47Å; L131-E134 WeakPolarHBondContact O-CB 3.13Å; L131-E134 PolarHBondContact O-N 2.77Å; L131-E134 VanDerWaalsContact O-N 3.1Å; L131-R135 PolarHBondContact O-N 2.97Å; L131-K136 CarbonylContact C-O 3.58Å; L131-K136 HydrophobicContact CB-CB 4.3Å; L131-K136 HydrophobicContact CD2-CB 4.12Å; L131-K136 HydrophobicContact CD2-CD 4.2Å; L131-K136 PolarHBondContact O-N 3.09Å; L131-H138 HydrophobicContact CD1-CB 4.04Å; L131-L156 HydrophobicContact CD1-CD1 4.34Å; L131-F159 HydrophobicContact CD1-CE1 3.73Å; L131-F159 HydrophobicContact CD1-CZ 4.09Å; L131-F159 HydrophobicContact CD2-CE1 3.63Å; L131-F159 HydrophobicContact CD2-CZ 3.78Å; L131-F159 HydrophobicContact CG-CE1 4.34Å
132H94.9Very high94.9Very high21 Ų2142 Ų4210%0.09719%0.189CC..Hα-helixtrans-67.6-35.1-177.7-61.6178.8000110.9L128 Y130 E134 R135 F194 D197L128-H132 VanDerWaalsContact O-CB 3.25Å; L128-H132 WeakPolarHBondContact O-CB 3.48Å; L128-H132 PolarHBondContact O-CD2 2.74Å; L128-H132 VanDerWaalsContact O-CD2 3.28Å; L128-H132 PolarHBondContact O-N 3.05Å; Y130-H132 VanDerWaalsContact C-N 3.35Å; Y130-H132 PolarHBondContact O-N 3.45Å; H132-E134 VanDerWaalsContact C-N 3.26Å; H132-E134 PolarHBondContact O-N 3.33Å; H132-R135 PolarHBondContact O-N 3.24Å; H132-R135 VanDerWaalsContact O-N 3.13Å; H132-F194 HydrophobicContact CB-CB 4.29Å; H132-F194 HydrophobicContact CB-CD2 4.13Å; H132-F194 HydrophobicContact CB-CG 4.19Å; H132-F194 AromaticContact CE1-CD2 3.86Å; H132-F194 PolarHBondContact CE1-O 2.76Å; H132-F194 AromaticContact CG-CD2 3.76Å; H132-F194 AromaticContact CG-CG 3.92Å; H132-F194 AromaticContact ND1-CD2 3.34Å; H132-F194 VanDerWaalsContact ND1-CD2 3.34Å; H132-F194 WeakPolarHBondContact ND1-CD2 3.4Å; H132-F194 AromaticContact ND1-CG 3.94Å; H132-D197 IonicContact CD2-OD2 2.84Å; H132-D197 IonicContact CE1-OD2 3.72Å; H132-D197 IonicContact NE2-OD2 3.39Å; H132-D197 PolarHBondContact NE2-OD2 2.87Å
133S94.7Very high94.9Very high80 Ų8039.4 Ų39.456%0.55918%0.179SC*.Hα-helixtrans-64.7-32.3172.978.30000112.7D129 Y130 L131 R135D129-S133 VanDerWaalsContact O-CB 3.26Å; D129-S133 WeakPolarHBondContact O-CB 3.28Å; D129-S133 PolarHBondContact O-N 3.12Å; D129-S133 PolarHBondContact O-OG 3.46Å; Y130-S133 PolarHBondContact O-N 2.85Å; Y130-S133 PolarHBondContact O-OG 2.89Å; L131-S133 VanDerWaalsContact C-N 3.31Å; L131-S133 PolarHBondContact O-N 3.02Å; S133-R135 VanDerWaalsContact C-N 3.25Å; S133-R135 PolarHBondContact O-N 3.32Å
134E92.1Very high94.6Very high94 Ų9440.5 Ų40.544%0.43919%0.19SC..THydrogen-bonded Turntrans-84.36.9175.2-72.3-63.9123.600113.5Y130 L131 H132 K136Y130-E134 HydrophobicContact CD2-CG 4.43Å; Y130-E134 HydrophobicContact CE2-CG 3.97Å; Y130-E134 WeakPolarHBondContact O-CG 3.42Å; Y130-E134 PolarHBondContact O-N 2.88Å; Y130-E134 VanDerWaalsContact O-N 3.09Å; L131-E134 CarbonylContact O-C 3.55Å; L131-E134 WeakPolarHBondContact O-CA 3.47Å; L131-E134 WeakPolarHBondContact O-CB 3.13Å; L131-E134 PolarHBondContact O-N 2.77Å; L131-E134 VanDerWaalsContact O-N 3.1Å; H132-E134 VanDerWaalsContact C-N 3.26Å; H132-E134 PolarHBondContact O-N 3.33Å; E134-K136 HydrophobicContact CB-CD 4.14Å; E134-K136 HydrophobicContact CB-CG 4.21Å; E134-K136 PolarHBondContact O-N 2.83Å; E134-K136 IonicContact OE2-NZ 3.8Å; E134-K136 PolarHBondContact OE2-NZ 3.12Å
135R91.3Very high94.4Very high238 Ų23841 Ų4190%0.89819%0.193SC*.THydrogen-bonded Turntrans58.728.4-176.5-51-178.4179-153.9-0.6113.7L131 H132 S133L131-R135 PolarHBondContact O-N 2.97Å; H132-R135 PolarHBondContact O-N 3.24Å; H132-R135 VanDerWaalsContact O-N 3.13Å; S133-R135 VanDerWaalsContact C-N 3.25Å; S133-R135 PolarHBondContact O-N 3.32Å
136K88.9Confident94.4Very high26 Ų2641 Ų4111%0.11319%0.193CC..  trans-102150.4174.7-61.1174.8177.297.90109.4V69 L131 E134V69-K136 HydrophobicContact CG1-CD 4.14Å; L131-K136 CarbonylContact C-O 3.58Å; L131-K136 HydrophobicContact CB-CB 4.3Å; L131-K136 HydrophobicContact CD2-CB 4.12Å; L131-K136 HydrophobicContact CD2-CD 4.2Å; L131-K136 PolarHBondContact O-N 3.09Å; E134-K136 HydrophobicContact CB-CD 4.14Å; E134-K136 HydrophobicContact CB-CG 4.21Å; E134-K136 PolarHBondContact O-N 2.83Å; E134-K136 IonicContact OE2-NZ 3.8Å; E134-K136 PolarHBondContact OE2-NZ 3.12Å
137I90.3Very high94.3Very high39 Ų3940.5 Ų40.520%0.219%0.192CC..  trans-124.5132.4176.7-51.9176.3000106.7R139 Y192 F194 D197I137-R139 HydrophobicContact CB-CG 4.08Å; I137-R139 HydrophobicContact CG2-CG 3.63Å; I137-Y192 HydrophobicContact CD1-CE2 4.39Å; I137-F194 HydrophobicContact CG1-CB 4.15Å; I137-D197 WeakPolarHBondContact CG2-OD1 3.48Å; I137-D197 WeakPolarHBondContact CG2-OD2 3.19Å
138H91Very high94.3Very high0 Ų040.5 Ų40.50%019%0.192CC..  trans-75.6-41.4-177.5-169.9-78.6000112.7L128 L131 D140 I141 A157 D158 G160 D197L128-H138 HydrophobicContact CD2-CB 4.31Å; L131-H138 HydrophobicContact CD1-CB 4.04Å; H138-D140 PolarHBondContact CE1-O 3.47Å; H138-D140 PolarHBondContact ND1-N 3.16Å; H138-D140 PolarHBondContact ND1-O 3.05Å; H138-D140 PolarHBondContact O-N 3.5Å; H138-I141 HydrophobicContact CB-CD1 3.71Å; H138-I141 HydrophobicContact CB-CG1 3.98Å; H138-I141 WeakPolarHBondContact ND1-CD1 3.23Å; H138-A157 PolarHBondContact CE1-O 3.28Å; H138-A157 PolarHBondContact NE2-O 2.83Å; H138-D158 PolarHBondContact CE1-O 2.9Å; H138-G160 PolarHBondContact O-N 3.31Å; H138-D197 PolarHBondContact N-OD1 3.42Å; H138-D197 PolarHBondContact N-OD2 2.99Å
139R89.3Confident94.3Very high97 Ų9741 Ų4137%0.36620%0.195SC..  trans69.7-19.3174.9-54.2171.7169.9-168.51.9117.3I137 G160 A162 Y192 D197I137-R139 HydrophobicContact CB-CG 4.08Å; I137-R139 HydrophobicContact CG2-CG 3.63Å; R139-G160 WeakPolarHBondContact CB-O 3.38Å; R139-G160 VanDerWaalsContact CD-O 3.23Å; R139-G160 WeakPolarHBondContact CD-O 3.34Å; R139-A162 HydrophobicContact CB-CB 4.1Å; R139-A162 HydrophobicContact CG-CB 4.36Å; R139-A162 PolarHBondContact NH1-O 3.2Å; R139-Y192 PolarHBondContact NE-OH 3.25Å; R139-D197 WeakPolarHBondContact CA-OD1 3.38Å; R139-D197 PolarHBondContact N-OD1 3.24Å
140D89.2Confident94.3Very high40 Ų4043 Ų4321%0.21420%0.204CC..  trans-130.357.3178.1-165.825.9000112.3H138 K142 N145H138-D140 PolarHBondContact CE1-O 3.47Å; H138-D140 PolarHBondContact ND1-N 3.16Å; H138-D140 PolarHBondContact ND1-O 3.05Å; H138-D140 PolarHBondContact O-N 3.5Å; D140-K142 PolarHBondContact O-N 2.91Å; D140-K142 WeakPolarHBondContact OD1-CD 3.42Å; D140-K142 WeakPolarHBondContact OD1-CE 3.19Å; D140-K142 IonicContact OD1-NZ 2.83Å; D140-K142 PolarHBondContact OD1-NZ 3.38Å; D140-K142 WeakPolarHBondContact OD2-CE 3.47Å; D140-K142 IonicContact OD2-NZ 3.46Å; D140-K142 PolarHBondContact OD2-NZ 3.28Å; D140-N145 PolarHBondContact O-ND2 3.09Å; D140-N145 PolarHBondContact OD2-ND2 2.98Å
141I95.1Very high94.3Very high1 Ų146.6 Ų46.61%0.00522%0.222CC..  trans-80.9115.1175.6-59.7-68.6000109.3L128 H138 L156 D197 T204L128-I141 HydrophobicContact CD2-CD1 3.84Å; L128-I141 HydrophobicContact CD2-CG1 4.13Å; H138-I141 HydrophobicContact CB-CD1 3.71Å; H138-I141 HydrophobicContact CB-CG1 3.98Å; H138-I141 WeakPolarHBondContact ND1-CD1 3.23Å; I141-L156 HydrophobicContact CD1-CD1 3.88Å; I141-L156 HydrophobicContact CD1-CD2 3.65Å; I141-L156 HydrophobicContact CD1-CG 4.36Å; I141-D197 HydrophobicContact CG1-CB 4.35Å; I141-T204 PolarHBondContact O-OG1 2.86Å
142K96.1Very high94.5Very high30 Ų3046.6 Ų46.613%0.1322%0.222CC..SBendtrans-158.4162.7176.860.7-169.7-179.7-147.60109.9D140 A144 N145 V146 W181 T204D140-K142 PolarHBondContact O-N 2.91Å; D140-K142 WeakPolarHBondContact OD1-CD 3.42Å; D140-K142 WeakPolarHBondContact OD1-CE 3.19Å; D140-K142 IonicContact OD1-NZ 2.83Å; D140-K142 PolarHBondContact OD1-NZ 3.38Å; D140-K142 WeakPolarHBondContact OD2-CE 3.47Å; D140-K142 IonicContact OD2-NZ 3.46Å; D140-K142 PolarHBondContact OD2-NZ 3.28Å; K142-A144 HydrophobicContact CG-CB 4.27Å; K142-A144 PolarHBondContact O-N 3.1Å; K142-N145 WeakPolarHBondContact CE-OD1 3.46Å; K142-N145 HydrophobicContact CG-CB 4.22Å; K142-N145 PolarHBondContact O-N 3.36Å; K142-V146 WeakPolarHBondContact O-CG2 3.42Å; K142-W181 HydrophobicContact CB-CD2 3.8Å; K142-W181 HydrophobicContact CB-CE3 4.45Å; K142-W181 HydrophobicContact CB-CG 3.99Å; K142-W181 HydrophobicContact CB-CZ2 3.97Å; K142-W181 HydrophobicContact CD-CE3 4.37Å; K142-W181 HydrophobicContact CD-CZ3 4.37Å; K142-T204 WeakPolarHBondContact CA-OG1 3.49Å
143A97.3Very high94.6Very high0 Ų048.7 Ų48.70%023%0.234CC..G310 helixtrans-60.6-29.7-175.300000113.8A103 L104 N145 V146 E207 L208A103-A143 HydrophobicContact CB-CB 4.17Å; A103-A143 PolarHBondContact N-O 3.4Å; L104-A143 HydrophobicContact CB-CB 4.09Å; L104-A143 PolarHBondContact N-O 3.11Å; A143-N145 VanDerWaalsContact C-N 3.3Å; A143-N145 PolarHBondContact O-N 3.25Å; A143-V146 PolarHBondContact O-N 3.35Å; A143-E207 HydrophobicContact CB-CG 4.11Å; A143-E207 WeakPolarHBondContact CB-OE1 3.33Å; A143-E207 WeakPolarHBondContact CB-OE2 3.31Å; A143-E207 PolarHBondContact N-OE2 3.08Å; A143-L208 HydrophobicContact CB-CD2 3.96Å
144A94.1Very high94.8Very high33 Ų3345 Ų4527%0.27321%0.208SC..G310 helixtrans-63.1-34.2175.600000113.2S102 L104 K142 V146S102-A144 WeakPolarHBondContact CB-O 3.41Å; L104-A144 HydrophobicContact CB-CB 4.39Å; L104-A144 HydrophobicContact CD2-CB 3.96Å; K142-A144 HydrophobicContact CG-CB 4.27Å; K142-A144 PolarHBondContact O-N 3.1Å; A144-V146 VanDerWaalsContact C-N 3.31Å
145N94.2Very high95.1Very high12 Ų1241.8 Ų41.86%0.06419%0.192CC..G310 helixtrans-92.89.3-178.1-68.74.1000112.8D140 K142 A143 A157 D158D140-N145 PolarHBondContact O-ND2 3.09Å; D140-N145 PolarHBondContact OD2-ND2 2.98Å; K142-N145 WeakPolarHBondContact CE-OD1 3.46Å; K142-N145 HydrophobicContact CG-CB 4.22Å; K142-N145 PolarHBondContact O-N 3.36Å; A143-N145 VanDerWaalsContact C-N 3.3Å; A143-N145 PolarHBondContact O-N 3.25Å; N145-A157 PolarHBondContact O-N 2.85Å; N145-D158 PolarHBondContact ND2-O 3.41Å
146V97.9Very high95.4Very high1 Ų130.5 Ų30.51%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-107104175177.10000107.3S102 A103 I120 I124 K142 A143 A144 V154 L156S102-V146 CarbonylContact C-O 3.43Å; S102-V146 VanDerWaalsContact CA-O 3.28Å; S102-V146 WeakPolarHBondContact CA-O 3.38Å; A103-V146 HydrophobicContact CB-CB 3.98Å; A103-V146 HydrophobicContact CB-CG1 4Å; A103-V146 PolarHBondContact N-O 2.93Å; I120-V146 HydrophobicContact CG2-CG1 3.94Å; I124-V146 HydrophobicContact CD1-CB 4.46Å; I124-V146 HydrophobicContact CD1-CG1 3.99Å; I124-V146 HydrophobicContact CD1-CG2 3.6Å; I124-V146 HydrophobicContact CG1-CG1 4.05Å; I124-V146 HydrophobicContact CG1-CG2 3.94Å; K142-V146 WeakPolarHBondContact O-CG2 3.42Å; A143-V146 PolarHBondContact O-N 3.35Å; A144-V146 VanDerWaalsContact C-N 3.31Å; V146-V154 HydrophobicContact CG1-CG1 3.43Å; V146-V154 VanDerWaalsContact CG1-CG1 3.43Å; V146-L156 HydrophobicContact CG2-CD2 4.07Å
147L97.9Very high95.6Very high41 Ų4129.4 Ų29.422%0.21515%0.146CC..EExtended strand (participates in β ladder)trans-102.2148.9-174.5-60.6-173.2000111.3L98 V154 K155 A157L98-L147 HydrophobicContact CB-CB 3.93Å; L98-L147 HydrophobicContact CB-CD1 4.5Å; L98-L147 HydrophobicContact CD1-CB 3.39Å; L98-L147 HydrophobicContact CD1-CD1 4.04Å; L98-L147 HydrophobicContact CD1-CG 4.35Å; L98-L147 HydrophobicContact CG-CB 4.29Å; L147-V154 WeakPolarHBondContact O-CA 3.48Å; L147-K155 PolarHBondContact N-O 3.1Å; L147-K155 PolarHBondContact O-N 2.86Å; L147-A157 HydrophobicContact CD1-CB 3.49Å; L147-A157 VanDerWaalsContact CD1-CB 3.49Å; L147-A157 HydrophobicContact CG-CB 3.74Å
148L98.5Very high95.2Very high0 Ų029.7 Ų29.70%015%0.147CC..EExtended strand (participates in β ladder)trans-118137.9179.5-66.590.7000112.1L98 G100 G101 A103 L106 D153 V154 L280 I284L98-L148 CarbonylContact C-O 3.56Å; L98-L148 WeakPolarHBondContact CB-O 3.42Å; G100-L148 WeakPolarHBondContact CA-O 3.23Å; G100-L148 PolarHBondContact N-O 3.37Å; G101-L148 PolarHBondContact O-N 2.93Å; A103-L148 HydrophobicContact CB-CD1 4.31Å; L106-L148 HydrophobicContact CD1-CD1 3.69Å; L106-L148 HydrophobicContact CD1-CD2 3.72Å; L106-L148 HydrophobicContact CD1-CG 4.28Å; L148-D153 CarbonylContact C-O 3.41Å; L148-D153 WeakPolarHBondContact CA-O 3.21Å; L148-V154 HydrophobicContact CD2-CG2 3.96Å; L148-V154 HydrophobicContact CG-CG2 4.09Å; L148-L280 HydrophobicContact CD2-CB 4.08Å; L148-L280 HydrophobicContact CD2-CD1 3.79Å; L148-I284 HydrophobicContact CB-CD1 4.35Å
149S97.9Very high94.6Very high10 Ų1030 Ų307%0.0715%0.149CC..  trans-70.6164.7165.579.60000110.2Q151 G152 D153 I284S149-Q151 PolarHBondContact O-N 3.34Å; S149-Q151 PolarHBondContact OG-N 3.42Å; S149-G152 PolarHBondContact O-N 2.93Å; S149-G152 PolarHBondContact OG-N 2.82Å; S149-D153 PolarHBondContact N-O 2.9Å; S149-D153 VanDerWaalsContact OG-CB 3.31Å; S149-D153 WeakPolarHBondContact OG-CB 3.3Å; S149-D153 PolarHBondContact OG-N 3.4Å; S149-D153 PolarHBondContact OG-OD2 3.01Å; S149-I284 WeakPolarHBondContact O-CD1 3.33Å
150E97Very high93.4Very high96 Ų9626.2 Ų26.245%0.44914%0.14SC..THydrogen-bonded Turntrans-64.1-19.1173.3-61.2-163122.700112.9G152 K288E150-G152 VanDerWaalsContact C-N 3.32Å; E150-K288 IonicContact OE1-NZ 2.82Å; E150-K288 PolarHBondContact OE1-NZ 2.89Å
151Q97.8Very high91.7Very high119 Ų11925.7 Ų25.756%0.55614%0.138SC*.THydrogen-bonded Turntrans-89.2-1.8177.9-63.870.334.700112.2S149S149-Q151 PolarHBondContact O-N 3.34Å; S149-Q151 PolarHBondContact OG-N 3.42Å
152G97.9Very high89.3Confident0 Ų026.8 Ų26.80%015%0.148CC..  trans87.712.2179.100000114.6S149 E150 T277S149-G152 PolarHBondContact O-N 2.93Å; S149-G152 PolarHBondContact OG-N 2.82Å; E150-G152 VanDerWaalsContact C-N 3.32Å; G152-T277 VanDerWaalsContact O-CB 3.31Å; G152-T277 WeakPolarHBondContact O-CB 3.31Å
153D98.5Very high86.7Confident65 Ų6526.7 Ų26.735%0.34816%0.155SC..  trans-70132.5172.8-51.9-59.9000109.5L148 S149L148-D153 CarbonylContact C-O 3.41Å; L148-D153 WeakPolarHBondContact CA-O 3.21Å; S149-D153 PolarHBondContact N-O 2.9Å; S149-D153 VanDerWaalsContact OG-CB 3.31Å; S149-D153 WeakPolarHBondContact OG-CB 3.3Å; S149-D153 PolarHBondContact OG-N 3.4Å; S149-D153 PolarHBondContact OG-OD2 3.01Å
154V98.7Very high84.1Confident2 Ų234.5 Ų34.51%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-106.3129.4-176.2-1790000109I120 E123 I124 V146 L147 L148 L280I120-V154 HydrophobicContact CG1-CG2 4.41Å; I120-V154 HydrophobicContact CG2-CG1 4.3Å; E123-V154 HydrophobicContact CB-CB 3.56Å; E123-V154 HydrophobicContact CB-CG1 4.04Å; E123-V154 HydrophobicContact CB-CG2 4.2Å; E123-V154 HydrophobicContact CG-CB 3.91Å; E123-V154 HydrophobicContact CG-CG2 4.09Å; I124-V154 HydrophobicContact CG1-CG1 4.48Å; V146-V154 HydrophobicContact CG1-CG1 3.43Å; V146-V154 VanDerWaalsContact CG1-CG1 3.43Å; L147-V154 WeakPolarHBondContact O-CA 3.48Å; L148-V154 HydrophobicContact CD2-CG2 3.96Å; L148-V154 HydrophobicContact CG-CG2 4.09Å; V154-L280 HydrophobicContact CG2-CD1 3.32Å
155K98.4Very high81.6Confident28 Ų2833.6 Ų33.612%0.12218%0.182CC..EExtended strand (participates in β ladder)trans-133.7146.8-178.6-55.4-167.5-178-172.90111.4P76 Y77 E96 L98 L147P76-K155 WeakPolarHBondContact O-CE 3.39Å; Y77-K155 WeakPolarHBondContact O-CA 3.47Å; E96-K155 WeakPolarHBondContact OE1-CD 3.36Å; E96-K155 WeakPolarHBondContact OE1-CE 3.41Å; E96-K155 IonicContact OE1-NZ 2.65Å; E96-K155 PolarHBondContact OE1-NZ 3.03Å; E96-K155 IonicContact OE2-NZ 3.26Å; E96-K155 PolarHBondContact OE2-NZ 3.26Å; L98-K155 HydrophobicContact CD1-CB 3.91Å; L98-K155 HydrophobicContact CD1-CD 4.15Å; L98-K155 HydrophobicContact CD1-CG 4.31Å; L98-K155 HydrophobicContact CD2-CD 4.04Å; L98-K155 HydrophobicContact CD2-CG 4.42Å; L147-K155 PolarHBondContact N-O 3.1Å; L147-K155 PolarHBondContact O-N 2.86Å
156L97.1Very high79.1Confident1 Ų135.9 Ų35.91%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-81.2132.8169.6-63.6175000109.9Y77 I78 T79 I124 L128 L131 I141 V146Y77-L156 PolarHBondContact O-N 3.19Å; I78-L156 HydrophobicContact CD1-CB 3.91Å; I78-L156 HydrophobicContact CD1-CD1 4.08Å; I78-L156 HydrophobicContact CD1-CG 4.43Å; T79-L156 PolarHBondContact N-O 2.9Å; T79-L156 PolarHBondContact OG1-O 3.3Å; I124-L156 HydrophobicContact CB-CD2 4.47Å; I124-L156 HydrophobicContact CG1-CD2 4.15Å; I124-L156 HydrophobicContact CG2-CD2 4.01Å; L128-L156 HydrophobicContact CD2-CD1 4.13Å; L128-L156 HydrophobicContact CG-CD1 4.24Å; L131-L156 HydrophobicContact CD1-CD1 4.34Å; I141-L156 HydrophobicContact CD1-CD1 3.88Å; I141-L156 HydrophobicContact CD1-CD2 3.65Å; I141-L156 HydrophobicContact CD1-CG 4.36Å; V146-L156 HydrophobicContact CG2-CD2 4.07Å
157A92.6Very high76.5Confident3 Ų341.1 Ų41.13%0.02522%0.224CC..  trans-123.7170.6176.300000110.5T79 H138 N145 L147T79-A157 WeakPolarHBondContact OG1-CB 3.48Å; H138-A157 PolarHBondContact CE1-O 3.28Å; H138-A157 PolarHBondContact NE2-O 2.83Å; N145-A157 PolarHBondContact O-N 2.85Å; L147-A157 HydrophobicContact CD1-CB 3.49Å; L147-A157 VanDerWaalsContact CD1-CB 3.49Å; L147-A157 HydrophobicContact CG-CB 3.74Å
158D82.8Confident73.8Confident44 Ų4442.6 Ų42.624%0.23524%0.235CC..  trans49.183.9174.2-66.7-51.4000113.9K49 H138 N145 G160K49-D158 IonicContact NZ-OD1 3.18Å; K49-D158 PolarHBondContact NZ-OD1 3.22Å; H138-D158 PolarHBondContact CE1-O 2.9Å; N145-D158 PolarHBondContact ND2-O 3.41Å; D158-G160 PolarHBondContact O-N 3.19Å
159F77.5Confident71.1Confident7 Ų745 Ų453%0.03125%0.246CC..  trans-67.1120.8175-74.4-103.6000109.4E66 V69 L70 I78 L131 V161E66-F159 HydrophobicContact CG-CB 4.22Å; V69-F159 HydrophobicContact CB-CD1 4.43Å; V69-F159 HydrophobicContact CG1-CD1 3.42Å; V69-F159 VanDerWaalsContact CG1-CD1 3.42Å; V69-F159 HydrophobicContact CG1-CE1 3.56Å; V69-F159 HydrophobicContact CG1-CG 4.02Å; V69-F159 HydrophobicContact CG1-CZ 4.27Å; L70-F159 HydrophobicContact CB-CD2 4.3Å; L70-F159 HydrophobicContact CB-CE2 4.42Å; L70-F159 HydrophobicContact CD1-CD2 3.87Å; L70-F159 HydrophobicContact CD1-CE2 3.5Å; L70-F159 VanDerWaalsContact CD1-CE2 3.5Å; I78-F159 HydrophobicContact CD1-CZ 4.49Å; I78-F159 HydrophobicContact CG2-CE2 3.75Å; I78-F159 HydrophobicContact CG2-CZ 3.75Å; L131-F159 HydrophobicContact CD1-CE1 3.73Å; L131-F159 HydrophobicContact CD1-CZ 4.09Å; L131-F159 HydrophobicContact CD2-CE1 3.63Å; L131-F159 HydrophobicContact CD2-CZ 3.78Å; L131-F159 HydrophobicContact CG-CE1 4.34Å; F159-V161 PolarHBondContact O-N 3.13Å
160G64.8Low68.7Low17 Ų1748.4 Ų48.418%0.17526%0.263CS..  trans-67.6131.3176.900000110.9H138 R139 D158 A162H138-G160 PolarHBondContact O-N 3.31Å; R139-G160 WeakPolarHBondContact CB-O 3.38Å; R139-G160 VanDerWaalsContact CD-O 3.23Å; R139-G160 WeakPolarHBondContact CD-O 3.34Å; D158-G160 PolarHBondContact O-N 3.19Å; G160-A162 PolarHBondContact O-N 3.34Å
161V52.8Low66.1Low29 Ų2952.3 Ų52.318%0.17628%0.279CS..  trans-90.586.9157.6-154.10000105.7D62 E66 F159 G163D62-V161 HydrophobicContact CB-CB 3.88Å; D62-V161 HydrophobicContact CB-CG1 3.91Å; D62-V161 HydrophobicContact CB-CG2 3.83Å; D62-V161 VanDerWaalsContact O-CG2 3.3Å; D62-V161 WeakPolarHBondContact O-CG2 3.35Å; D62-V161 WeakPolarHBondContact OD1-CG1 3.25Å; E66-V161 HydrophobicContact CB-CG2 4.28Å; F159-V161 PolarHBondContact O-N 3.13Å; V161-G163 PolarHBondContact O-N 3.43Å
162A45.9Very low63.5Low25 Ų2554.7 Ų54.721%0.20728%0.283CS..  trans-65.587.2159.800000105.7R139 G160 Q164R139-A162 HydrophobicContact CB-CB 4.1Å; R139-A162 HydrophobicContact CG-CB 4.36Å; R139-A162 PolarHBondContact NH1-O 3.2Å; G160-A162 PolarHBondContact O-N 3.34Å; A162-Q164 PolarHBondContact O-N 3.46Å
163G41.6Very low61Low28 Ų2859.9 Ų59.929%0.28931%0.31SS..  trans-44.9132.7158.700000105.6V161 L165V161-G163 PolarHBondContact O-N 3.43Å; G163-L165 PolarHBondContact O-N 3.32Å
164Q41.1Very low58.4Low164 Ų16460.1 Ų60.177%0.76631%0.314SS*.  trans-49.4115.9163.9-76.3-179.7-42.500104.8A162 T166 Q169A162-Q164 PolarHBondContact O-N 3.46Å; Q164-T166 VanDerWaalsContact C-N 3.26Å; Q164-T166 WeakPolarHBondContact O-CG2 3.42Å; Q164-T166 PolarHBondContact O-N 3.17Å; Q164-Q169 PolarHBondContact O-OE1 3.25Å
165L42.1Very low55.9Low14 Ų1462.7 Ų62.77%0.07333%0.325CS..  trans-46.8104.1170.9-82.8159.3000104.6G163 I170 F175 M182 Q189G163-L165 PolarHBondContact O-N 3.32Å; L165-I170 HydrophobicContact CD2-CG1 4.2Å; L165-F175 HydrophobicContact CD2-CD2 3.52Å; L165-F175 HydrophobicContact CD2-CE2 3.46Å; L165-F175 VanDerWaalsContact CD2-CE2 3.46Å; L165-F175 HydrophobicContact CG-CE2 4.28Å; L165-M182 HydrophobicContact CD1-CE 4.09Å; L165-Q189 HydrophobicContact CB-CG 3.68Å; L165-Q189 HydrophobicContact CD1-CG 4.42Å; L165-Q189 WeakPolarHBondContact O-CG 3.49Å; L165-Q189 PolarHBondContact O-NE2 3.03Å
166T43.2Very low53.4Low59 Ų5965 Ų6536%0.36234%0.342SS..  trans-84.6150.417555.30000106.4Q164 T168 Q169 I170Q164-T166 VanDerWaalsContact C-N 3.26Å; Q164-T166 WeakPolarHBondContact O-CG2 3.42Å; Q164-T166 PolarHBondContact O-N 3.17Å; T166-T168 PolarHBondContact O-N 3.27Å; T166-T168 PolarHBondContact OG1-OG1 3.47Å; T166-Q169 PolarHBondContact O-N 3.39Å; T166-Q169 WeakPolarHBondContact OG1-CG 3.42Å; T166-Q169 PolarHBondContact OG1-N 3.25Å; T166-I170 PolarHBondContact O-N 3.43Å
167D42.8Very low51.5Low111 Ų11167.2 Ų67.259%0.59437%0.365SS*.Hα-helixtrans-52.3-26.5172.7-72-29.3000111.8K171D167-K171 WeakPolarHBondContact O-CB 3.06Å; D167-K171 VanDerWaalsContact O-CG 3.25Å; D167-K171 WeakPolarHBondContact O-CG 3.48Å; D167-K171 PolarHBondContact O-N 3.11Å; D167-K171 VanDerWaalsContact O-N 3.14Å
168T39.9Very low50.5Low73 Ų7369.9 Ų69.945%0.44838%0.38SS..Hα-helixtrans-66.4-42.9174.5-15.60000113T166 K171 R172T166-T168 PolarHBondContact O-N 3.27Å; T166-T168 PolarHBondContact OG1-OG1 3.47Å; T168-K171 PolarHBondContact O-N 3.46Å; T168-R172 WeakPolarHBondContact O-CB 3.34Å; T168-R172 WeakPolarHBondContact O-CG 3.34Å; T168-R172 PolarHBondContact O-N 3.14Å; T168-R172 VanDerWaalsContact O-N 3.13Å
169Q41.9Very low50.8Low49 Ų4967.8 Ų67.823%0.22937%0.369CS..Hα-helixtrans-69.4-38179.6-75.7168.3-26.900112Q164 T166Q164-Q169 PolarHBondContact O-OE1 3.25Å; T166-Q169 PolarHBondContact O-N 3.39Å; T166-Q169 WeakPolarHBondContact OG1-CG 3.42Å; T166-Q169 PolarHBondContact OG1-N 3.25Å
170I48.1Very low51.6Low83 Ų8368.4 Ų68.443%0.42637%0.372SS..Hα-helixtrans-66.2-43.9174.6-61.1174.2000110.5L165 T166 R172 N173L165-I170 HydrophobicContact CD2-CG1 4.2Å; T166-I170 PolarHBondContact O-N 3.43Å; I170-R172 VanDerWaalsContact C-N 3.31Å; I170-R172 PolarHBondContact O-N 3.07Å; I170-N173 PolarHBondContact O-N 2.85Å
171K42.6Very low53Low178 Ų17868.8 Ų68.877%0.77437%0.368SS*.Hα-helixtrans-66.8-28-179.1-79.7176.9-177.4177.40114.2D167 T168 N173D167-K171 WeakPolarHBondContact O-CB 3.06Å; D167-K171 VanDerWaalsContact O-CG 3.25Å; D167-K171 WeakPolarHBondContact O-CG 3.48Å; D167-K171 PolarHBondContact O-N 3.11Å; D167-K171 VanDerWaalsContact O-N 3.14Å; T168-K171 PolarHBondContact O-N 3.46Å; K171-N173 VanDerWaalsContact C-N 3.35Å
172R43Very low54.9Low169 Ų16968.8 Ų68.864%0.63837%0.367SS*.THydrogen-bonded Turntrans-86-4.5-179.3-73.5-179.4-177.9175.6-0113.2T168 I170 T174T168-R172 WeakPolarHBondContact O-CB 3.34Å; T168-R172 WeakPolarHBondContact O-CG 3.34Å; T168-R172 PolarHBondContact O-N 3.14Å; T168-R172 VanDerWaalsContact O-N 3.13Å; I170-R172 VanDerWaalsContact C-N 3.31Å; I170-R172 PolarHBondContact O-N 3.07Å; R172-T174 HydrophobicContact CB-CG2 3.89Å; R172-T174 VanDerWaalsContact CB-OG1 3.28Å; R172-T174 WeakPolarHBondContact CB-OG1 3.44Å; R172-T174 PolarHBondContact O-N 3.47Å
173N45.7Very low57.2Low109 Ų10967.7 Ų67.758%0.58336%0.357SS*.SBendtrans53.74.4-165.7-72.7-9.2000114.5I170 K171 F175 M221I170-N173 PolarHBondContact O-N 2.85Å; K171-N173 VanDerWaalsContact C-N 3.35Å; N173-F175 PolarHBondContact O-N 3.37Å; N173-M221 PolarHBondContact OD1-SD 2.75Å; N173-M221 VanDerWaalsContact OD1-SD 3.34Å
174T44.2Very low59.7Low70 Ų7066.5 Ų66.543%0.42935%0.345SS..  trans-81.254.3177.858.60000109.9R172 V176R172-T174 HydrophobicContact CB-CG2 3.89Å; R172-T174 VanDerWaalsContact CB-OG1 3.28Å; R172-T174 WeakPolarHBondContact CB-OG1 3.44Å; R172-T174 PolarHBondContact O-N 3.47Å; T174-V176 PolarHBondContact O-N 3.28Å; T174-V176 VanDerWaalsContact O-N 3.16Å
175F45.6Very low62.1Low55 Ų5559.4 Ų59.424%0.24131%0.311CS..  trans-71.1110.3175.5179.4-111.8000108.9L165 N173 G177 P179 M182L165-F175 HydrophobicContact CD2-CD2 3.52Å; L165-F175 HydrophobicContact CD2-CE2 3.46Å; L165-F175 VanDerWaalsContact CD2-CE2 3.46Å; L165-F175 HydrophobicContact CG-CE2 4.28Å; N173-F175 PolarHBondContact O-N 3.37Å; F175-G177 WeakPolarHBondContact CD1-O 3.4Å; F175-G177 WeakPolarHBondContact CE1-O 3.4Å; F175-G177 PolarHBondContact O-N 2.99Å; F175-P179 HydrophobicContact CE1-CB 4.08Å; F175-P179 HydrophobicContact CE1-CG 4.38Å; F175-M182 HydrophobicContact CE1-SD 4.26Å; F175-M182 HydrophobicContact CE2-CE 4.45Å; F175-M182 HydrophobicContact CE2-SD 4.24Å; F175-M182 HydrophobicContact CZ-CE 4.18Å; F175-M182 HydrophobicContact CZ-SD 3.46Å; F175-M182 WeakPolarHBondContact CZ-SD 3.47Å
176V46.5Very low64.3Low78 Ų7859.6 Ų59.647%0.47331%0.313SS..  trans-75.4104.4172.1-1760000107.8T174T174-V176 PolarHBondContact O-N 3.28Å; T174-V176 VanDerWaalsContact O-N 3.16Å
177G56.8Low66.4Low47 Ų4757.6 Ų57.649%0.48530%0.3SS..SBendtrans124.4178.8172.900000114.3F175F175-G177 WeakPolarHBondContact CD1-O 3.4Å; F175-G177 WeakPolarHBondContact CE1-O 3.4Å; F175-G177 PolarHBondContact O-N 2.99Å
178T71.9Confident68.4Low58 Ų5858.1 Ų58.136%0.35630%0.297SS..  trans-117.3115.2-177.8-40.20000109.1F180 W181T178-F180 HydrophobicContact CG2-CD2 3.14Å; T178-F180 HydrophobicContact CG2-CE2 3.1Å; T178-F180 HydrophobicContact CG2-CG 4.23Å; T178-F180 HydrophobicContact CG2-CZ 4.18Å; T178-F180 PolarHBondContact O-N 3.47Å; T178-F180 VanDerWaalsContact O-N 3.1Å; T178-W181 HydrophobicContact CG2-CZ3 3.82Å
179P88.2Confident70.2Confident0 Ų058.9 Ų58.90%030%0.296CS..G310 helixtrans-75.5-6.7-161.829.9-35.9000114.6F175 W181 M182 P220 V223 L224 I227F175-P179 HydrophobicContact CE1-CB 4.08Å; F175-P179 HydrophobicContact CE1-CG 4.38Å; P179-W181 PolarHBondContact O-N 3.09Å; P179-M182 HydrophobicContact CB-SD 3.89Å; P179-M182 WeakPolarHBondContact O-CB 3.42Å; P179-M182 PolarHBondContact O-N 3.25Å; P179-P220 HydrophobicContact CG-CB 3.79Å; P179-P220 WeakPolarHBondContact CG-O 3.32Å; P179-V223 HydrophobicContact CB-CG1 4.43Å; P179-V223 HydrophobicContact CG-CB 4.2Å; P179-V223 HydrophobicContact CG-CG1 4.27Å; P179-L224 HydrophobicContact CB-CD2 3.61Å; P179-L224 HydrophobicContact CB-CG 4.15Å; P179-L224 HydrophobicContact CG-CD2 4.43Å; P179-L224 HydrophobicContact CG-CG 4.48Å; P179-I227 WeakPolarHBondContact O-CD1 3.45Å
180F94.2Very high71.7Confident20 Ų2059.3 Ų59.39%0.08830%0.304CS..G310 helixtrans-60.2-31-170.5-50.1-61.3000113.3T178 P213 N215 L218 P220 V223T178-F180 HydrophobicContact CG2-CD2 3.14Å; T178-F180 HydrophobicContact CG2-CE2 3.1Å; T178-F180 HydrophobicContact CG2-CG 4.23Å; T178-F180 HydrophobicContact CG2-CZ 4.18Å; T178-F180 PolarHBondContact O-N 3.47Å; T178-F180 VanDerWaalsContact O-N 3.1Å; F180-P213 HydrophobicContact CB-CB 3.98Å; F180-P213 HydrophobicContact CB-CG 3.9Å; F180-P213 HydrophobicContact CD2-CG 4.21Å; F180-P213 HydrophobicContact CG-CG 4.24Å; F180-N215 WeakPolarHBondContact CE1-O 3.49Å; F180-L218 WeakPolarHBondContact CE1-O 3.44Å; F180-P220 HydrophobicContact CZ-CG 4.39Å; F180-V223 HydrophobicContact CD1-CB 4.3Å; F180-V223 HydrophobicContact CD1-CG1 3.96Å; F180-V223 HydrophobicContact CD1-CG2 3.84Å; F180-V223 HydrophobicContact CE1-CB 4.33Å; F180-V223 HydrophobicContact CE1-CG1 4.49Å; F180-V223 HydrophobicContact CE1-CG2 3.61Å
181W95.6Very high73.1Confident26 Ų2660.5 Ų60.510%0.09833%0.326CS..G310 helixtrans-93.5-3.3178.4-59.7-102.6000114K142 T178 P179 S200 I203 E207 P213K142-W181 HydrophobicContact CB-CD2 3.8Å; K142-W181 HydrophobicContact CB-CE3 4.45Å; K142-W181 HydrophobicContact CB-CG 3.99Å; K142-W181 HydrophobicContact CB-CZ2 3.97Å; K142-W181 HydrophobicContact CD-CE3 4.37Å; K142-W181 HydrophobicContact CD-CZ3 4.37Å; T178-W181 HydrophobicContact CG2-CZ3 3.82Å; P179-W181 PolarHBondContact O-N 3.09Å; W181-S200 WeakPolarHBondContact O-CA 3.12Å; W181-S200 WeakPolarHBondContact O-CB 3.49Å; W181-S200 PolarHBondContact O-OG 2.64Å; W181-I203 HydrophobicContact CB-CB 4.45Å; W181-I203 HydrophobicContact CB-CG2 4.31Å; W181-I203 VanDerWaalsContact CD1-CG2 3.41Å; W181-I203 HydrophobicContact CD2-CG2 4.47Å; W181-I203 HydrophobicContact CG-CB 4.3Å; W181-I203 HydrophobicContact CG-CG2 3.8Å; W181-E207 WeakPolarHBondContact CZ2-OE1 3.37Å; W181-E207 PolarHBondContact NE1-OE2 3.22Å; W181-P213 HydrophobicContact CD2-CB 4.48Å; W181-P213 HydrophobicContact CH2-CB 4.39Å; W181-P213 HydrophobicContact CH2-CG 3.7Å; W181-P213 HydrophobicContact CZ2-CB 3.8Å; W181-P213 HydrophobicContact CZ2-CG 3.5Å; W181-P213 VanDerWaalsContact CZ2-CG 3.5Å; W181-P213 HydrophobicContact CZ3-CG 4.41Å
182M92.7Very high75Confident29 Ų2954.9 Ų54.914%0.14330%0.301CS..  trans-75138.5-173.2-66.9177.877.100112.3L165 F175 P179 V186 I187 W199 L224L165-M182 HydrophobicContact CD1-CE 4.09Å; F175-M182 HydrophobicContact CE1-SD 4.26Å; F175-M182 HydrophobicContact CE2-CE 4.45Å; F175-M182 HydrophobicContact CE2-SD 4.24Å; F175-M182 HydrophobicContact CZ-CE 4.18Å; F175-M182 HydrophobicContact CZ-SD 3.46Å; F175-M182 WeakPolarHBondContact CZ-SD 3.47Å; P179-M182 HydrophobicContact CB-SD 3.89Å; P179-M182 WeakPolarHBondContact O-CB 3.42Å; P179-M182 PolarHBondContact O-N 3.25Å; M182-V186 HydrophobicContact CE-CB 4.27Å; M182-V186 HydrophobicContact CE-CG1 3.51Å; M182-I187 HydrophobicContact CB-CD1 3.97Å; M182-I187 HydrophobicContact CB-CG1 3.8Å; M182-I187 HydrophobicContact CE-CG1 4.04Å; M182-I187 HydrophobicContact SD-CG1 4.2Å; M182-W199 PolarHBondContact O-NE1 3.04Å; M182-L224 HydrophobicContact SD-CD2 4.41Å
183A93.4Very high77.1Confident1 Ų150.1 Ų50.11%0.00829%0.288CS..  trans-70147.2173.900000111.7E185 V186 I187 A196 W199A183-E185 VanDerWaalsContact CB-CD 3.5Å; A183-E185 HydrophobicContact CB-CG 4.43Å; A183-E185 WeakPolarHBondContact CB-OE1 3.4Å; A183-E185 WeakPolarHBondContact CB-OE2 3.46Å; A183-E185 PolarHBondContact O-N 3.44Å; A183-V186 HydrophobicContact CB-CG2 4.03Å; A183-V186 WeakPolarHBondContact O-CB 3.44Å; A183-V186 PolarHBondContact O-N 2.86Å; A183-I187 PolarHBondContact O-N 2.78Å; A183-I187 VanDerWaalsContact O-N 3.17Å; A183-A196 HydrophobicContact CB-CB 4.17Å; A183-W199 VanDerWaalsContact CA-CD1 3.43Å; A183-W199 HydrophobicContact CB-CB 3.69Å; A183-W199 HydrophobicContact CB-CD2 4.35Å; A183-W199 HydrophobicContact CB-CG 3.71Å
184P93.5Very high79.3Confident4 Ų448.1 Ų48.13%0.02627%0.274CS..Hα-helixtrans-53.8-37.4179.7-25.531.3000114.2K188 W199 I227 K253P184-K188 WeakPolarHBondContact O-CB 3.18Å; P184-K188 VanDerWaalsContact O-CG 3.31Å; P184-K188 WeakPolarHBondContact O-CG 3.4Å; P184-K188 PolarHBondContact O-N 3.12Å; P184-W199 HydrophobicContact CG-CD2 4.47Å; P184-W199 HydrophobicContact CG-CE3 4.22Å; P184-W199 HydrophobicContact CG-CH2 3.75Å; P184-W199 HydrophobicContact CG-CZ2 3.97Å; P184-W199 HydrophobicContact CG-CZ3 3.86Å; P184-I227 HydrophobicContact CB-CG2 4.29Å; P184-I227 HydrophobicContact CG-CG2 3.85Å; P184-K253 HydrophobicContact CB-CD 4.29Å; P184-K253 HydrophobicContact CG-CD 3.57Å
185E92Very high81.8Confident14 Ų1445.8 Ų45.87%0.06526%0.258CS..Hα-helixtrans-71.4-30.3179.165.8-84.4-161.900113.2A183 Q189 S190 R258A183-E185 VanDerWaalsContact CB-CD 3.5Å; A183-E185 HydrophobicContact CB-CG 4.43Å; A183-E185 WeakPolarHBondContact CB-OE1 3.4Å; A183-E185 WeakPolarHBondContact CB-OE2 3.46Å; A183-E185 PolarHBondContact O-N 3.44Å; E185-Q189 PolarHBondContact O-N 3Å; E185-S190 WeakPolarHBondContact O-CB 3.39Å; E185-S190 PolarHBondContact O-N 3.49Å; E185-R258 IonicContact OE1-CZ 2.76Å; E185-R258 IonicContact OE1-NH1 2.85Å; E185-R258 PolarHBondContact OE1-NH1 3.1Å; E185-R258 IonicContact OE1-NH2 3.86Å; E185-R258 PolarHBondContact OE1-NH2 2.72Å; E185-R258 IonicContact OE2-CZ 2.66Å; E185-R258 IonicContact OE2-NH1 3.07Å; E185-R258 IonicContact OE2-NH2 2.95Å; E185-R258 PolarHBondContact OE2-NH2 3.3Å
186V88.7Confident84.1Confident18 Ų1843.4 Ų43.411%0.10925%0.248CC..Hα-helixtrans-70-45.2175-178.20000109.3M182 A183 K188 Q189 Y192 A196M182-V186 HydrophobicContact CE-CB 4.27Å; M182-V186 HydrophobicContact CE-CG1 3.51Å; A183-V186 HydrophobicContact CB-CG2 4.03Å; A183-V186 WeakPolarHBondContact O-CB 3.44Å; A183-V186 PolarHBondContact O-N 2.86Å; V186-K188 VanDerWaalsContact C-N 3.35Å; V186-K188 PolarHBondContact O-N 3.15Å; V186-Q189 PolarHBondContact O-N 3.35Å; V186-Q189 VanDerWaalsContact O-N 3.07Å; V186-Y192 HydrophobicContact CG1-CE1 4.36Å; V186-Y192 HydrophobicContact CG2-CD1 4.02Å; V186-Y192 HydrophobicContact CG2-CD2 3.96Å; V186-Y192 HydrophobicContact CG2-CE1 4.42Å; V186-Y192 HydrophobicContact CG2-CE2 4.37Å; V186-Y192 HydrophobicContact CG2-CG 3.78Å; V186-A196 HydrophobicContact CG2-CB 3.74Å
187I87.6Confident86.5Confident17 Ų1739.7 Ų39.79%0.08723%0.226CC..Hα-helixtrans-62.6-41.8176.9-64.3170.4000111.4M182 A183 Q189 L224 I227 P228M182-I187 HydrophobicContact CB-CD1 3.97Å; M182-I187 HydrophobicContact CB-CG1 3.8Å; M182-I187 HydrophobicContact CE-CG1 4.04Å; M182-I187 HydrophobicContact SD-CG1 4.2Å; A183-I187 PolarHBondContact O-N 2.78Å; A183-I187 VanDerWaalsContact O-N 3.17Å; I187-Q189 PolarHBondContact O-N 3.42Å; I187-Q189 VanDerWaalsContact O-N 3.11Å; I187-L224 HydrophobicContact CD1-CD2 4.28Å; I187-L224 HydrophobicContact CG1-CD2 4Å; I187-L224 HydrophobicContact CG2-CB 4.25Å; I187-L224 HydrophobicContact CG2-CD2 3.96Å; I187-L224 VanDerWaalsContact CG2-O 3.32Å; I187-L224 WeakPolarHBondContact CG2-O 3.01Å; I187-I227 HydrophobicContact CD1-CB 3.63Å; I187-I227 HydrophobicContact CD1-CD1 3.72Å; I187-I227 HydrophobicContact CD1-CG1 4.25Å; I187-I227 HydrophobicContact CD1-CG2 3.63Å; I187-P228 HydrophobicContact CB-CG 4.12Å; I187-P228 HydrophobicContact CD1-CG 4.49Å; I187-P228 HydrophobicContact CG2-CG 3.66Å
188K85.4Confident88.5Confident123 Ų12337.4 Ų37.454%0.53520%0.203SC..THydrogen-bonded Turntrans-70.22.4176.5-78.2171.9163.8162.30113.6P184 V186 S190 P228P184-K188 WeakPolarHBondContact O-CB 3.18Å; P184-K188 VanDerWaalsContact O-CG 3.31Å; P184-K188 WeakPolarHBondContact O-CG 3.4Å; P184-K188 PolarHBondContact O-N 3.12Å; V186-K188 VanDerWaalsContact C-N 3.35Å; V186-K188 PolarHBondContact O-N 3.15Å; K188-S190 PolarHBondContact O-N 3.25Å; K188-P228 HydrophobicContact CD-CB 4.13Å; K188-P228 HydrophobicContact CG-CB 4.03Å; K188-P228 HydrophobicContact CG-CG 4.35Å
189Q76.5Confident89.7Confident89 Ų8934.8 Ų34.842%0.41619%0.186SC..THydrogen-bonded Turntrans51.626.5-173.5-63.9166.8600112.8L165 E185 V186 I187L165-Q189 HydrophobicContact CB-CG 3.68Å; L165-Q189 HydrophobicContact CD1-CG 4.42Å; L165-Q189 WeakPolarHBondContact O-CG 3.49Å; L165-Q189 PolarHBondContact O-NE2 3.03Å; E185-Q189 PolarHBondContact O-N 3Å; V186-Q189 PolarHBondContact O-N 3.35Å; V186-Q189 VanDerWaalsContact O-N 3.07Å; I187-Q189 PolarHBondContact O-N 3.42Å; I187-Q189 VanDerWaalsContact O-N 3.11Å
190S74.2Confident90.2Very high57 Ų5735 Ų3540%0.39919%0.188SC..  trans-75.1157174.6-60.70000108.4E185 K188 Y192E185-S190 WeakPolarHBondContact O-CB 3.39Å; E185-S190 PolarHBondContact O-N 3.49Å; K188-S190 PolarHBondContact O-N 3.25Å; S190-Y192 PolarHBondContact O-N 3.25Å; S190-Y192 VanDerWaalsContact O-N 3.14Å
191A78.1Confident90.4Very high109 Ų10934 Ų3490%0.90118%0.184SC*.  trans-55.8125.5167.200000108.6
192Y81.5Confident90.5Very high59 Ų5932.8 Ų32.823%0.23118%0.179CC..  trans-125.6159.2179.369.5-92.3000109.9I137 R139 V186 S190 A196I137-Y192 HydrophobicContact CD1-CE2 4.39Å; R139-Y192 PolarHBondContact NE-OH 3.25Å; V186-Y192 HydrophobicContact CG1-CE1 4.36Å; V186-Y192 HydrophobicContact CG2-CD1 4.02Å; V186-Y192 HydrophobicContact CG2-CD2 3.96Å; V186-Y192 HydrophobicContact CG2-CE1 4.42Å; V186-Y192 HydrophobicContact CG2-CE2 4.37Å; V186-Y192 HydrophobicContact CG2-CG 3.78Å; S190-Y192 PolarHBondContact O-N 3.25Å; S190-Y192 VanDerWaalsContact O-N 3.14Å; Y192-A196 HydrophobicContact CD2-CB 3.95Å
193D87.3Confident90.8Very high69 Ų6931.6 Ų31.637%0.36917%0.173SC..  trans-126.7-166.8177.867.811.4000110.4K195 A196D193-K195 PolarHBondContact O-N 2.66Å; D193-K195 WeakPolarHBondContact OD1-CB 3.27Å; D193-K195 VanDerWaalsContact OD1-CG 3.29Å; D193-K195 WeakPolarHBondContact OD1-CG 3.44Å; D193-K195 PolarHBondContact OD1-N 3.18Å; D193-A196 WeakPolarHBondContact O-CB 3.49Å; D193-A196 PolarHBondContact O-N 3.27Å; D193-A196 VanDerWaalsContact O-N 3.07Å
194F92.3Very high91.1Very high67 Ų6731.5 Ų31.529%0.29417%0.173SC..THydrogen-bonded Turntrans-60.1-12.5179.465.5-97.4000114.4H132 I137 A196 D197 T260H132-F194 HydrophobicContact CB-CB 4.29Å; H132-F194 HydrophobicContact CB-CD2 4.13Å; H132-F194 HydrophobicContact CB-CG 4.19Å; H132-F194 AromaticContact CE1-CD2 3.86Å; H132-F194 PolarHBondContact CE1-O 2.76Å; H132-F194 AromaticContact CG-CD2 3.76Å; H132-F194 AromaticContact CG-CG 3.92Å; H132-F194 AromaticContact ND1-CD2 3.34Å; H132-F194 VanDerWaalsContact ND1-CD2 3.34Å; H132-F194 WeakPolarHBondContact ND1-CD2 3.4Å; H132-F194 AromaticContact ND1-CG 3.94Å; I137-F194 HydrophobicContact CG1-CB 4.15Å; F194-A196 PolarHBondContact O-N 3.32Å; F194-D197 WeakPolarHBondContact O-CB 3.18Å; F194-D197 PolarHBondContact O-N 3.44Å; F194-T260 HydrophobicContact CE2-CG2 4.19Å
195K96.3Very high91.3Very high21 Ų2131.3 Ų31.39%0.09117%0.171CC..Hα-helixtrans-70.7-14.1173.5-60.5-64.7-171.367.90113D193 D197 I198 W199 P255 R258D193-K195 PolarHBondContact O-N 2.66Å; D193-K195 WeakPolarHBondContact OD1-CB 3.27Å; D193-K195 VanDerWaalsContact OD1-CG 3.29Å; D193-K195 WeakPolarHBondContact OD1-CG 3.44Å; D193-K195 PolarHBondContact OD1-N 3.18Å; K195-D197 VanDerWaalsContact C-N 3.3Å; K195-I198 HydrophobicContact CD-CG1 4.16Å; K195-I198 WeakPolarHBondContact O-CB 3.33Å; K195-I198 PolarHBondContact O-N 3.43Å; K195-W199 PolarHBondContact O-N 2.93Å; K195-P255 HydrophobicContact CB-CB 3.91Å; K195-P255 PolarHBondContact NZ-O 2.93Å; K195-R258 HydrophobicContact CD-CB 4.32Å; K195-R258 WeakPolarHBondContact CE-O 3.37Å; K195-R258 PolarHBondContact NZ-O 3.32Å; K195-R258 PolarHBondContact O-NH1 3.01Å
196A94.5Very high91.6Very high5 Ų530.7 Ų30.74%0.04117%0.168CC..Hα-helixtrans-59.3-43168.200000110.9A183 V186 Y192 D193 F194 I198 W199 S200A183-A196 HydrophobicContact CB-CB 4.17Å; V186-A196 HydrophobicContact CG2-CB 3.74Å; Y192-A196 HydrophobicContact CD2-CB 3.95Å; D193-A196 WeakPolarHBondContact O-CB 3.49Å; D193-A196 PolarHBondContact O-N 3.27Å; D193-A196 VanDerWaalsContact O-N 3.07Å; F194-A196 PolarHBondContact O-N 3.32Å; A196-I198 PolarHBondContact O-N 3.11Å; A196-W199 WeakPolarHBondContact O-CB 3.5Å; A196-W199 PolarHBondContact O-N 3.43Å; A196-S200 PolarHBondContact O-N 3.18Å; A196-S200 VanDerWaalsContact O-N 3.1Å; A196-S200 PolarHBondContact O-OG 3.22Å
197D95.8Very high92.1Very high0 Ų030.1 Ų30.10%016%0.164CC..Hα-helixtrans-61.4-31.4176.5-66.9-21.8000112.1L128 H132 I137 H138 R139 I141 F194 K195 W199 S200 L201L128-D197 HydrophobicContact CD1-CB 4.39Å; L128-D197 HydrophobicContact CD2-CB 3.79Å; H132-D197 IonicContact CD2-OD2 2.84Å; H132-D197 IonicContact CE1-OD2 3.72Å; H132-D197 IonicContact NE2-OD2 3.39Å; H132-D197 PolarHBondContact NE2-OD2 2.87Å; I137-D197 WeakPolarHBondContact CG2-OD1 3.48Å; I137-D197 WeakPolarHBondContact CG2-OD2 3.19Å; H138-D197 PolarHBondContact N-OD1 3.42Å; H138-D197 PolarHBondContact N-OD2 2.99Å; R139-D197 WeakPolarHBondContact CA-OD1 3.38Å; R139-D197 PolarHBondContact N-OD1 3.24Å; I141-D197 HydrophobicContact CG1-CB 4.35Å; F194-D197 WeakPolarHBondContact O-CB 3.18Å; F194-D197 PolarHBondContact O-N 3.44Å; K195-D197 VanDerWaalsContact C-N 3.3Å; D197-W199 VanDerWaalsContact C-N 3.35Å; D197-S200 PolarHBondContact O-N 2.8Å; D197-L201 WeakPolarHBondContact O-CB 3.33Å; D197-L201 PolarHBondContact O-N 3.18Å
198I98.6Very high92.6Very high0 Ų029.3 Ų29.30%016%0.16CC..Hα-helixtrans-69.2-35.1177.5-55.3-58.3000111.3L128 K195 A196 G202 C250 R258 A261 L264L128-I198 HydrophobicContact CD1-CD1 4.41Å; K195-I198 HydrophobicContact CD-CG1 4.16Å; K195-I198 WeakPolarHBondContact O-CB 3.33Å; K195-I198 PolarHBondContact O-N 3.43Å; A196-I198 PolarHBondContact O-N 3.11Å; I198-G202 PolarHBondContact O-N 3.46Å; I198-G202 VanDerWaalsContact O-N 3.1Å; I198-C250 HydrophobicContact CG2-CB 4.24Å; I198-C250 WeakPolarHBondContact O-CB 3.32Å; I198-R258 HydrophobicContact CG2-CB 4.17Å; I198-A261 HydrophobicContact CD1-CB 4.17Å; I198-L264 HydrophobicContact CD1-CD1 4.2Å; I198-L264 HydrophobicContact CG2-CD1 3.8Å
199W98.3Very high93.2Very high2 Ų224 Ų241%0.00814%0.14CC..Hα-helixtrans-64.8-49.4171175.3-78.7000110.6M182 A183 P184 K195 A196 D197 L201 G202 I203 I227 P232 L251 K253M182-W199 PolarHBondContact O-NE1 3.04Å; A183-W199 VanDerWaalsContact CA-CD1 3.43Å; A183-W199 HydrophobicContact CB-CB 3.69Å; A183-W199 HydrophobicContact CB-CD2 4.35Å; A183-W199 HydrophobicContact CB-CG 3.71Å; P184-W199 HydrophobicContact CG-CD2 4.47Å; P184-W199 HydrophobicContact CG-CE3 4.22Å; P184-W199 HydrophobicContact CG-CH2 3.75Å; P184-W199 HydrophobicContact CG-CZ2 3.97Å; P184-W199 HydrophobicContact CG-CZ3 3.86Å; K195-W199 PolarHBondContact O-N 2.93Å; A196-W199 WeakPolarHBondContact O-CB 3.5Å; A196-W199 PolarHBondContact O-N 3.43Å; D197-W199 VanDerWaalsContact C-N 3.35Å; W199-L201 VanDerWaalsContact C-N 3.26Å; W199-L201 PolarHBondContact O-N 3.37Å; W199-G202 WeakPolarHBondContact O-CA 3.41Å; W199-G202 PolarHBondContact O-N 2.9Å; W199-I203 PolarHBondContact O-N 2.94Å; W199-I227 HydrophobicContact CZ2-CG2 4.1Å; W199-P232 HydrophobicContact CH2-CB 4.03Å; W199-P232 HydrophobicContact CH2-CG 4.44Å; W199-P232 HydrophobicContact CZ3-CB 4.29Å; W199-P232 HydrophobicContact CZ3-CG 4.47Å; W199-L251 HydrophobicContact CD2-CD2 3.8Å; W199-L251 HydrophobicContact CE3-CD2 4.01Å; W199-L251 HydrophobicContact CG-CD2 4.16Å; W199-L251 HydrophobicContact CZ2-CD2 4.36Å; W199-L251 HydrophobicContact CZ3-CB 4.33Å; W199-L251 HydrophobicContact CZ3-CD2 4.36Å; W199-L251 WeakPolarHBondContact O-CD2 3.4Å; W199-K253 HydrophobicContact CH2-CD 4.08Å; W199-K253 HydrophobicContact CZ3-CD 4.12Å
200S97.1Very high94.2Very high5 Ų524.4 Ų24.44%0.03514%0.14CC..Hα-helixtrans-60.1-36.1179.1-54.60000112.2W181 A196 D197 I203 T204W181-S200 WeakPolarHBondContact O-CA 3.12Å; W181-S200 WeakPolarHBondContact O-CB 3.49Å; W181-S200 PolarHBondContact O-OG 2.64Å; A196-S200 PolarHBondContact O-N 3.18Å; A196-S200 VanDerWaalsContact O-N 3.1Å; A196-S200 PolarHBondContact O-OG 3.22Å; D197-S200 PolarHBondContact O-N 2.8Å; S200-I203 PolarHBondContact O-N 3.05Å; S200-T204 WeakPolarHBondContact O-CB 3.44Å; S200-T204 PolarHBondContact O-N 2.85Å; S200-T204 PolarHBondContact O-OG1 2.8Å
201L98.7Very high95.3Very high0 Ų023.4 Ų23.40%014%0.139CC..Hα-helixtrans-60.5-43.1169.6179.867.8000112.3L121 I124 L125 L128 D197 W199 I203 T204 A205 F246 L264L121-L201 HydrophobicContact CD2-CD1 3.55Å; L121-L201 HydrophobicContact CD2-CG 4.39Å; I124-L201 HydrophobicContact CB-CD1 4.2Å; I124-L201 HydrophobicContact CD1-CD1 4.43Å; I124-L201 HydrophobicContact CG2-CD1 3.51Å; L125-L201 HydrophobicContact CD2-CD2 3.37Å; L125-L201 HydrophobicContact CG-CD2 3.89Å; L128-L201 HydrophobicContact CD1-CB 4.39Å; L128-L201 HydrophobicContact CD1-CD2 4.21Å; D197-L201 WeakPolarHBondContact O-CB 3.33Å; D197-L201 PolarHBondContact O-N 3.18Å; W199-L201 VanDerWaalsContact C-N 3.26Å; W199-L201 PolarHBondContact O-N 3.37Å; L201-I203 VanDerWaalsContact C-N 3.31Å; L201-I203 PolarHBondContact O-N 3.35Å; L201-T204 PolarHBondContact O-N 3.48Å; L201-A205 WeakPolarHBondContact O-CB 3.48Å; L201-A205 PolarHBondContact O-N 3.47Å; L201-F246 HydrophobicContact CD2-CZ 4.18Å; L201-L264 HydrophobicContact CD2-CD1 4.11Å
202G98.7Very high96.2Very high0 Ų023.5 Ų23.50%012%0.12CC..Hα-helixtrans-62.3-38.117600000112.6I198 W199 A205 I206I198-G202 PolarHBondContact O-N 3.46Å; I198-G202 VanDerWaalsContact O-N 3.1Å; W199-G202 WeakPolarHBondContact O-CA 3.41Å; W199-G202 PolarHBondContact O-N 2.9Å; G202-A205 PolarHBondContact O-N 3.43Å; G202-I206 PolarHBondContact O-N 2.95Å
203I98.6Very high96.9Very high3 Ų321.2 Ų21.22%0.01511%0.113CC..Hα-helixtrans-68.8-45.3173.5-59.6-58.9000111W181 W199 S200 L201 A205 I206 E207 P213 P214 P233 L251W181-I203 HydrophobicContact CB-CB 4.45Å; W181-I203 HydrophobicContact CB-CG2 4.31Å; W181-I203 VanDerWaalsContact CD1-CG2 3.41Å; W181-I203 HydrophobicContact CD2-CG2 4.47Å; W181-I203 HydrophobicContact CG-CB 4.3Å; W181-I203 HydrophobicContact CG-CG2 3.8Å; W199-I203 PolarHBondContact O-N 2.94Å; S200-I203 PolarHBondContact O-N 3.05Å; L201-I203 VanDerWaalsContact C-N 3.31Å; L201-I203 PolarHBondContact O-N 3.35Å; I203-A205 PolarHBondContact O-N 2.76Å; I203-I206 WeakPolarHBondContact O-CA 3.45Å; I203-I206 WeakPolarHBondContact O-CB 3.26Å; I203-I206 PolarHBondContact O-N 3.16Å; I203-E207 PolarHBondContact O-N 2.92Å; I203-P213 HydrophobicContact CG2-CB 3.82Å; I203-P214 HydrophobicContact CD1-CG 4.3Å; I203-P233 HydrophobicContact CD1-CG 3.71Å; I203-L251 HydrophobicContact CD1-CD1 4.18Å; I203-L251 HydrophobicContact CD1-CD2 3.76Å; I203-L251 HydrophobicContact CG1-CD2 4.03Å
204T98.6Very high97.4Very high0 Ų019.1 Ų19.10%010%0.103CC..Hα-helixtrans-59-35.7175.7-55.20000111.5I141 K142 S200 L201 I206 E207 L208I141-T204 PolarHBondContact O-OG1 2.86Å; K142-T204 WeakPolarHBondContact CA-OG1 3.49Å; S200-T204 WeakPolarHBondContact O-CB 3.44Å; S200-T204 PolarHBondContact O-N 2.85Å; S200-T204 PolarHBondContact O-OG1 2.8Å; L201-T204 PolarHBondContact O-N 3.48Å; T204-I206 VanDerWaalsContact C-N 3.34Å; T204-I206 PolarHBondContact O-N 3.3Å; T204-E207 WeakPolarHBondContact O-CB 3.46Å; T204-E207 PolarHBondContact O-N 2.9Å; T204-L208 HydrophobicContact CG2-CD1 4.21Å; T204-L208 HydrophobicContact CG2-CG 4.35Å; T204-L208 WeakPolarHBondContact O-CB 3.32Å; T204-L208 VanDerWaalsContact O-CG 3.26Å; T204-L208 WeakPolarHBondContact O-CG 3.5Å; T204-L208 PolarHBondContact O-N 2.81Å
205A98.9Very high97.5Very high0 Ų018.4 Ų18.40%010%0.102CC..Hα-helixtrans-64.2-38174.600000112.4L121 L201 G202 I203 A209 F243 F246 V247L121-A205 HydrophobicContact CD1-CB 3.8Å; L121-A205 HydrophobicContact CD2-CB 4.08Å; L201-A205 WeakPolarHBondContact O-CB 3.48Å; L201-A205 PolarHBondContact O-N 3.47Å; G202-A205 PolarHBondContact O-N 3.43Å; I203-A205 PolarHBondContact O-N 2.76Å; A205-A209 WeakPolarHBondContact O-CB 3.49Å; A205-A209 PolarHBondContact O-N 2.8Å; A205-F243 HydrophobicContact CB-CE2 4.12Å; A205-F243 WeakPolarHBondContact O-CZ 3.39Å; A205-F246 HydrophobicContact CB-CE1 4.34Å; A205-V247 HydrophobicContact CB-CG2 3.96Å
206I98.7Very high97.3Very high1 Ų119.1 Ų19.11%0.00511%0.11CC..Hα-helixtrans-69.1-44.1173-63.6172000110.4G202 I203 T204 L208 A209 K210 P214 P233 L235 V247 L251G202-I206 PolarHBondContact O-N 2.95Å; I203-I206 WeakPolarHBondContact O-CA 3.45Å; I203-I206 WeakPolarHBondContact O-CB 3.26Å; I203-I206 PolarHBondContact O-N 3.16Å; T204-I206 VanDerWaalsContact C-N 3.34Å; T204-I206 PolarHBondContact O-N 3.3Å; I206-L208 PolarHBondContact O-N 3.35Å; I206-A209 WeakPolarHBondContact O-CB 3.48Å; I206-A209 PolarHBondContact O-N 2.75Å; I206-K210 HydrophobicContact CG2-CD 3.88Å; I206-K210 HydrophobicContact CG2-CG 4.18Å; I206-K210 WeakPolarHBondContact O-CB 3.39Å; I206-K210 PolarHBondContact O-N 3.12Å; I206-P214 HydrophobicContact CB-CG 4.35Å; I206-P214 HydrophobicContact CD1-CG 3.84Å; I206-P214 HydrophobicContact CG2-CG 3.94Å; I206-P233 HydrophobicContact CD1-CB 4.24Å; I206-P233 HydrophobicContact CD1-CG 4.45Å; I206-L235 HydrophobicContact CG1-CB 4.48Å; I206-L235 HydrophobicContact CG1-CD1 4.34Å; I206-L235 HydrophobicContact CG2-CD1 4.48Å; I206-V247 HydrophobicContact CD1-CG1 3.78Å; I206-V247 HydrophobicContact CG1-CG1 3.75Å; I206-V247 HydrophobicContact CG1-CG2 4.42Å; I206-L251 HydrophobicContact CD1-CD1 3.76Å
207E98.3Very high97.2Very high5 Ų525.2 Ų25.22%0.02314%0.142CC..Hα-helixtrans-54.5-49.7176.6177.9-172.2-163.700111.6A143 W181 I203 T204 A209 K210 G211 E212A143-E207 HydrophobicContact CB-CG 4.11Å; A143-E207 WeakPolarHBondContact CB-OE1 3.33Å; A143-E207 WeakPolarHBondContact CB-OE2 3.31Å; A143-E207 PolarHBondContact N-OE2 3.08Å; W181-E207 WeakPolarHBondContact CZ2-OE1 3.37Å; W181-E207 PolarHBondContact NE1-OE2 3.22Å; I203-E207 PolarHBondContact O-N 2.92Å; T204-E207 WeakPolarHBondContact O-CB 3.46Å; T204-E207 PolarHBondContact O-N 2.9Å; E207-A209 PolarHBondContact O-N 2.9Å; E207-K210 PolarHBondContact O-N 3.17Å; E207-G211 CarbonylContact O-C 3.22Å; E207-G211 VanDerWaalsContact O-CA 3.28Å; E207-G211 WeakPolarHBondContact O-CA 3.08Å; E207-G211 PolarHBondContact O-N 3.02Å; E207-E212 WeakPolarHBondContact CA-O 3.22Å; E207-E212 PolarHBondContact O-N 3.4Å
208L98.7Very high97.1Very high1 Ų126.5 Ų26.51%0.00515%0.149CC..Hα-helixtrans-63.9-25.8177.1-67.3172.3000113.4A103 L107 L112 I117 I120 L121 A143 T204 I206A103-L208 HydrophobicContact CB-CD2 3.86Å; L107-L208 HydrophobicContact CD1-CD2 4.37Å; L112-L208 HydrophobicContact CD1-CD2 4.21Å; I117-L208 HydrophobicContact CD1-CB 4.38Å; I117-L208 WeakPolarHBondContact CD1-O 3.26Å; I117-L208 HydrophobicContact CG1-CB 4.13Å; I117-L208 HydrophobicContact CG2-CB 4.02Å; I117-L208 HydrophobicContact CG2-CD1 4.23Å; I120-L208 HydrophobicContact CG2-CD1 3.99Å; L121-L208 HydrophobicContact CD2-CD1 4.22Å; L121-L208 HydrophobicContact CG-CD1 4.44Å; A143-L208 HydrophobicContact CB-CD2 3.96Å; T204-L208 HydrophobicContact CG2-CD1 4.21Å; T204-L208 HydrophobicContact CG2-CG 4.35Å; T204-L208 WeakPolarHBondContact O-CB 3.32Å; T204-L208 VanDerWaalsContact O-CG 3.26Å; T204-L208 WeakPolarHBondContact O-CG 3.5Å; T204-L208 PolarHBondContact O-N 2.81Å; I206-L208 PolarHBondContact O-N 3.35Å
209A98.4Very high96.6Very high12 Ų1231.2 Ų31.210%0.09917%0.17CC..Hα-helixtrans-86.1-34.2-179.800000113.2I117 A205 I206 E207 L235 F243I117-A209 HydrophobicContact CD1-CB 4.08Å; A205-A209 WeakPolarHBondContact O-CB 3.49Å; A205-A209 PolarHBondContact O-N 2.8Å; I206-A209 WeakPolarHBondContact O-CB 3.48Å; I206-A209 PolarHBondContact O-N 2.75Å; E207-A209 PolarHBondContact O-N 2.9Å; A209-L235 HydrophobicContact CB-CD1 3.77Å; A209-F243 HydrophobicContact CB-CE1 3.67Å; A209-F243 HydrophobicContact CB-CZ 3.9Å
210K97.2Very high96.1Very high97 Ų9732.6 Ų32.642%0.42218%0.179SC..Hα-helixtrans-108.9-13.4-172.4-66.9-166.3171.6-171.70114I206 E207 E212I206-K210 HydrophobicContact CG2-CD 3.88Å; I206-K210 HydrophobicContact CG2-CG 4.18Å; I206-K210 WeakPolarHBondContact O-CB 3.39Å; I206-K210 PolarHBondContact O-N 3.12Å; E207-K210 PolarHBondContact O-N 3.17Å; K210-E212 VanDerWaalsContact C-N 3.32Å
211G96.6Very high95.6Very high36 Ų3636.1 Ų36.137%0.37120%0.196SC..SBendtrans92.5-16.4-173.200000113.9E207E207-G211 CarbonylContact O-C 3.22Å; E207-G211 VanDerWaalsContact O-CA 3.28Å; E207-G211 WeakPolarHBondContact O-CA 3.08Å; E207-G211 PolarHBondContact O-N 3.02Å
212E96.2Very high95.2Very high110 Ų11043.2 Ų43.251%0.51422%0.223SC..SBendtrans-152.1152.3-174.260.2179.9173.800111.8E207 K210 S216E207-E212 WeakPolarHBondContact CA-O 3.22Å; E207-E212 PolarHBondContact O-N 3.4Å; K210-E212 VanDerWaalsContact C-N 3.32Å; E212-S216 PolarHBondContact OE2-OG 2.96Å
213P97.1Very high94.8Very high12 Ų1243.2 Ų43.28%0.07822%0.223CC..  trans-71.3158.7175.534.1-39.6000111.5F180 W181 I203 N215 S216F180-P213 HydrophobicContact CB-CB 3.98Å; F180-P213 HydrophobicContact CB-CG 3.9Å; F180-P213 HydrophobicContact CD2-CG 4.21Å; F180-P213 HydrophobicContact CG-CG 4.24Å; W181-P213 HydrophobicContact CD2-CB 4.48Å; W181-P213 HydrophobicContact CH2-CB 4.39Å; W181-P213 HydrophobicContact CH2-CG 3.7Å; W181-P213 HydrophobicContact CZ2-CB 3.8Å; W181-P213 HydrophobicContact CZ2-CG 3.5Å; W181-P213 VanDerWaalsContact CZ2-CG 3.5Å; W181-P213 HydrophobicContact CZ3-CG 4.41Å; I203-P213 HydrophobicContact CG2-CB 3.82Å; P213-N215 PolarHBondContact O-N 3.2Å; P213-S216 WeakPolarHBondContact O-CB 3.41Å; P213-S216 PolarHBondContact O-N 2.95Å; P213-S216 PolarHBondContact O-OG 3.34Å
214P96.7Very high94.4Very high24 Ų2444.5 Ų44.516%0.15623%0.23CC..THydrogen-bonded Turntrans-59138.7173.1-20.833.4000112.4I203 I206 S216 P233I203-P214 HydrophobicContact CD1-CG 4.3Å; I206-P214 HydrophobicContact CB-CG 4.35Å; I206-P214 HydrophobicContact CD1-CG 3.84Å; I206-P214 HydrophobicContact CG2-CG 3.94Å; P214-S216 VanDerWaalsContact C-N 3.29Å; P214-P233 HydrophobicContact CB-CB 3.91Å; P214-P233 HydrophobicContact CB-CG 4.21Å; P214-P233 HydrophobicContact CG-CB 3.78Å; P214-P233 HydrophobicContact CG-CG 3.95Å
215N94.4Very high94Very high53 Ų5351 Ų5128%0.28326%0.259SS..THydrogen-bonded Turntrans68.518.9-178.8-39.9-79.7000114.6F180 P213 D217 L218 V223F180-N215 WeakPolarHBondContact CE1-O 3.49Å; P213-N215 PolarHBondContact O-N 3.2Å; N215-D217 WeakPolarHBondContact CA-OD1 3.26Å; N215-D217 PolarHBondContact O-N 3.22Å; N215-L218 HydrophobicContact CB-CB 4.34Å; N215-L218 HydrophobicContact CB-CD1 3.95Å; N215-L218 HydrophobicContact CB-CG 4.15Å; N215-L218 WeakPolarHBondContact O-CB 3.35Å; N215-L218 PolarHBondContact O-N 3.06Å; N215-V223 HydrophobicContact CB-CG2 3.85Å
216S93Very high93.7Very high36 Ų3652.7 Ų52.725%0.25227%0.267SS..THydrogen-bonded Turntrans-54.9-27.9173.747.90000113E212 P213 P214 L218E212-S216 PolarHBondContact OE2-OG 2.96Å; P213-S216 WeakPolarHBondContact O-CB 3.41Å; P213-S216 PolarHBondContact O-N 2.95Å; P213-S216 PolarHBondContact O-OG 3.34Å; P214-S216 VanDerWaalsContact C-N 3.29Å; S216-L218 VanDerWaalsContact C-N 3.26Å; S216-L218 PolarHBondContact O-N 3.23Å
217D92.9Very high93.5Very high132 Ų13253.3 Ų53.371%0.70627%0.27SS*.THydrogen-bonded Turntrans-74.6-11176.365-56.3000113.9N215N215-D217 WeakPolarHBondContact CA-OD1 3.26Å; N215-D217 PolarHBondContact O-N 3.22Å
218L92.5Very high93.2Very high28 Ų2854.3 Ų54.315%0.14728%0.277CS..SBendtrans-102144.7-176-57.4-172.1000112.1F180 N215 S216 V223 L226F180-L218 WeakPolarHBondContact CE1-O 3.44Å; N215-L218 HydrophobicContact CB-CB 4.34Å; N215-L218 HydrophobicContact CB-CD1 3.95Å; N215-L218 HydrophobicContact CB-CG 4.15Å; N215-L218 WeakPolarHBondContact O-CB 3.35Å; N215-L218 PolarHBondContact O-N 3.06Å; S216-L218 VanDerWaalsContact C-N 3.26Å; S216-L218 PolarHBondContact O-N 3.23Å; L218-V223 HydrophobicContact CB-CG2 3.84Å; L218-L226 HydrophobicContact CD1-CD1 3.36Å
219H89.4Confident92.9Very high99 Ų9962.1 Ų62.146%0.45831%0.311SS..  trans-54.9133173-170.2-77.3000111.7M221 R222 V223H219-M221 VanDerWaalsContact C-N 3.33Å; H219-M221 WeakPolarHBondContact CE1-CE 3.39Å; H219-M221 PolarHBondContact ND1-N 3.27Å; H219-M221 PolarHBondContact O-N 3.34Å; H219-M221 VanDerWaalsContact O-N 3.15Å; H219-R222 VanDerWaalsContact O-CB 3.32Å; H219-R222 WeakPolarHBondContact O-CB 3.43Å; H219-R222 PolarHBondContact O-N 3.39Å; H219-V223 PolarHBondContact O-N 3.23Å
220P87.7Confident92.7Very high30 Ų3065.7 Ų65.720%0.19533%0.328CS..Hα-helixtrans-47.3-46.8-177-34.437.7000115P179 F180 R222 V223 L224P179-P220 HydrophobicContact CG-CB 3.79Å; P179-P220 WeakPolarHBondContact CG-O 3.32Å; F180-P220 HydrophobicContact CZ-CG 4.39Å; P220-R222 VanDerWaalsContact C-N 3.28Å; P220-R222 PolarHBondContact O-N 3.29Å; P220-V223 WeakPolarHBondContact O-CB 3.01Å; P220-V223 PolarHBondContact O-N 2.86Å; P220-V223 VanDerWaalsContact O-N 3.07Å; P220-L224 PolarHBondContact O-N 2.78Å
221M86.1Confident92.7Very high80 Ų8066.1 Ų66.139%0.39434%0.344SS..Hα-helixtrans-56.9-37.5176.6-71.1-168.3-91.400113.6N173 H219 V223 L224 F225N173-M221 PolarHBondContact OD1-SD 2.75Å; N173-M221 VanDerWaalsContact OD1-SD 3.34Å; H219-M221 VanDerWaalsContact C-N 3.33Å; H219-M221 WeakPolarHBondContact CE1-CE 3.39Å; H219-M221 PolarHBondContact ND1-N 3.27Å; H219-M221 PolarHBondContact O-N 3.34Å; H219-M221 VanDerWaalsContact O-N 3.15Å; M221-V223 VanDerWaalsContact C-N 3.32Å; M221-V223 PolarHBondContact O-N 3.04Å; M221-L224 PolarHBondContact O-N 3.4Å; M221-F225 WeakPolarHBondContact O-CD2 3.43Å
222R90.3Very high92.7Very high149 Ų14966.3 Ų66.356%0.56234%0.338SS*.Hα-helixtrans-66.2-38.9178-176.8177.9174.9179.2-4.1110.6H219 P220 L224 F225 L226H219-R222 VanDerWaalsContact O-CB 3.32Å; H219-R222 WeakPolarHBondContact O-CB 3.43Å; H219-R222 PolarHBondContact O-N 3.39Å; P220-R222 VanDerWaalsContact C-N 3.28Å; P220-R222 PolarHBondContact O-N 3.29Å; R222-L224 VanDerWaalsContact C-N 3.31Å; R222-L224 PolarHBondContact O-N 3.36Å; R222-F225 PolarHBondContact O-N 3.26Å; R222-F225 VanDerWaalsContact O-N 3.09Å; R222-L226 HydrophobicContact CG-CD1 3.95Å; R222-L226 HydrophobicContact CG-CG 4.27Å; R222-L226 WeakPolarHBondContact O-CG 3.39Å; R222-L226 PolarHBondContact O-N 3.21Å; R222-L226 VanDerWaalsContact O-N 3.16Å
223V91.3Very high92.7Very high0 Ų062.7 Ų62.70%033%0.325CS..Hα-helixtrans-63.5-36.2-179.1174.90000112.2P179 F180 N215 L218 H219 P220 M221 F225 L226 I227P179-V223 HydrophobicContact CB-CG1 4.43Å; P179-V223 HydrophobicContact CG-CB 4.2Å; P179-V223 HydrophobicContact CG-CG1 4.27Å; F180-V223 HydrophobicContact CD1-CB 4.3Å; F180-V223 HydrophobicContact CD1-CG1 3.96Å; F180-V223 HydrophobicContact CD1-CG2 3.84Å; F180-V223 HydrophobicContact CE1-CB 4.33Å; F180-V223 HydrophobicContact CE1-CG1 4.49Å; F180-V223 HydrophobicContact CE1-CG2 3.61Å; N215-V223 HydrophobicContact CB-CG2 3.85Å; L218-V223 HydrophobicContact CB-CG2 3.84Å; H219-V223 PolarHBondContact O-N 3.23Å; P220-V223 WeakPolarHBondContact O-CB 3.01Å; P220-V223 PolarHBondContact O-N 2.86Å; P220-V223 VanDerWaalsContact O-N 3.07Å; M221-V223 VanDerWaalsContact C-N 3.32Å; M221-V223 PolarHBondContact O-N 3.04Å; V223-F225 PolarHBondContact O-N 3.09Å; V223-L226 PolarHBondContact O-N 3.48Å; V223-I227 HydrophobicContact CG1-CD1 3.4Å; V223-I227 VanDerWaalsContact CG1-CD1 3.4Å; V223-I227 HydrophobicContact CG1-CG1 3.75Å; V223-I227 PolarHBondContact O-N 3.38Å
224L89Confident92.8Very high30 Ų3066.2 Ų66.216%0.15735%0.346CS..Hα-helixtrans-57.1-30.5173.6-65.5174.9000112.8P179 M182 I187 P220 M221 R222 P228P179-L224 HydrophobicContact CB-CD2 3.61Å; P179-L224 HydrophobicContact CB-CG 4.15Å; P179-L224 HydrophobicContact CG-CD2 4.43Å; P179-L224 HydrophobicContact CG-CG 4.48Å; M182-L224 HydrophobicContact SD-CD2 4.41Å; I187-L224 HydrophobicContact CD1-CD2 4.28Å; I187-L224 HydrophobicContact CG1-CD2 4Å; I187-L224 HydrophobicContact CG2-CB 4.25Å; I187-L224 HydrophobicContact CG2-CD2 3.96Å; I187-L224 VanDerWaalsContact CG2-O 3.32Å; I187-L224 WeakPolarHBondContact CG2-O 3.01Å; P220-L224 PolarHBondContact O-N 2.78Å; M221-L224 PolarHBondContact O-N 3.4Å; R222-L224 VanDerWaalsContact C-N 3.31Å; R222-L224 PolarHBondContact O-N 3.36Å; L224-P228 WeakPolarHBondContact O-CD 3.47Å; L224-P228 WeakPolarHBondContact O-CG 3.28Å
225F90.5Very high92.8Very high137 Ų13765.3 Ų65.360%0.60134%0.34SS*.Hα-helixtrans-85-32.7174.8-64.5-75.9000113.3M221 R222 V223 K229M221-F225 WeakPolarHBondContact O-CD2 3.43Å; R222-F225 PolarHBondContact O-N 3.26Å; R222-F225 VanDerWaalsContact O-N 3.09Å; V223-F225 PolarHBondContact O-N 3.09Å; F225-K229 WeakPolarHBondContact O-CB 3.45Å; F225-K229 WeakPolarHBondContact O-CD 3.4Å; F225-K229 VanDerWaalsContact O-CG 3.3Å; F225-K229 WeakPolarHBondContact O-CG 3.39Å
226L93.2Very high92.8Very high35 Ų3568.8 Ų68.818%0.18335%0.354CS..Hα-helixtrans-76.6-45.6-175.4-67.8177.6000112L218 R222 V223 K229 N230L218-L226 HydrophobicContact CD1-CD1 3.36Å; R222-L226 HydrophobicContact CG-CD1 3.95Å; R222-L226 HydrophobicContact CG-CG 4.27Å; R222-L226 WeakPolarHBondContact O-CG 3.39Å; R222-L226 PolarHBondContact O-N 3.21Å; R222-L226 VanDerWaalsContact O-N 3.16Å; V223-L226 PolarHBondContact O-N 3.48Å; L226-K229 PolarHBondContact O-N 3.06Å; L226-K229 VanDerWaalsContact O-N 3.13Å; L226-N230 WeakPolarHBondContact O-CB 3.42Å; L226-N230 PolarHBondContact O-N 3.45Å
227I93.6Very high92.8Very high13 Ų1369.2 Ų69.27%0.06737%0.365CS..Hα-helixtrans-55.5-47.4-176.5-70.2174.1000110.9P179 P184 I187 W199 V223 K229 K253P179-I227 WeakPolarHBondContact O-CD1 3.45Å; P184-I227 HydrophobicContact CB-CG2 4.29Å; P184-I227 HydrophobicContact CG-CG2 3.85Å; I187-I227 HydrophobicContact CD1-CB 3.63Å; I187-I227 HydrophobicContact CD1-CD1 3.72Å; I187-I227 HydrophobicContact CD1-CG1 4.25Å; I187-I227 HydrophobicContact CD1-CG2 3.63Å; W199-I227 HydrophobicContact CZ2-CG2 4.1Å; V223-I227 HydrophobicContact CG1-CD1 3.4Å; V223-I227 VanDerWaalsContact CG1-CD1 3.4Å; V223-I227 HydrophobicContact CG1-CG1 3.75Å; V223-I227 PolarHBondContact O-N 3.38Å; I227-K229 VanDerWaalsContact C-N 3.34Å; I227-K229 PolarHBondContact O-N 2.88Å; I227-K253 PolarHBondContact O-NZ 2.84Å
228P91.9Very high92.9Very high26 Ų2672.3 Ų72.317%0.16938%0.375CS..Hα-helixtrans-76.4-19.1-177.2-14.930.5000114.7I187 K188 L224I187-P228 HydrophobicContact CB-CG 4.12Å; I187-P228 HydrophobicContact CD1-CG 4.49Å; I187-P228 HydrophobicContact CG2-CG 3.66Å; K188-P228 HydrophobicContact CD-CB 4.13Å; K188-P228 HydrophobicContact CG-CB 4.03Å; K188-P228 HydrophobicContact CG-CG 4.35Å; L224-P228 WeakPolarHBondContact O-CD 3.47Å; L224-P228 WeakPolarHBondContact O-CG 3.28Å
229K93.3Very high93.1Very high165 Ų16573.1 Ų73.172%0.71738%0.378SS*.Hα-helixtrans-95.1-42.7-175.7-71.4-178-179.2176.80113.6F225 L226 I227F225-K229 WeakPolarHBondContact O-CB 3.45Å; F225-K229 WeakPolarHBondContact O-CD 3.4Å; F225-K229 VanDerWaalsContact O-CG 3.3Å; F225-K229 WeakPolarHBondContact O-CG 3.39Å; L226-K229 PolarHBondContact O-N 3.06Å; L226-K229 VanDerWaalsContact O-N 3.13Å; I227-K229 VanDerWaalsContact C-N 3.34Å; I227-K229 PolarHBondContact O-N 2.88Å
230N94.6Very high93.5Very high87 Ų8769.5 Ų69.547%0.46536%0.364SS..SBendtrans-81.1158.8-174.7-70.23.9000111.4L226 K253L226-N230 WeakPolarHBondContact O-CB 3.42Å; L226-N230 PolarHBondContact O-N 3.45Å; N230-K253 WeakPolarHBondContact O-CE 3.4Å; N230-K253 PolarHBondContact O-NZ 3.1Å
231S95.7Very high94Very high107 Ų10775.1 Ų75.175%0.74839%0.385SS*.PPolyproline II helixtrans-54.7150.4166.5-66.50000110.9
232P97.2Very high94.6Very high39 Ų3972.1 Ų72.125%0.25337%0.371SS..PPolyproline II helixtrans-55.3145.7175.3-21.632.3000111.9W199 L251 K253W199-P232 HydrophobicContact CH2-CB 4.03Å; W199-P232 HydrophobicContact CH2-CG 4.44Å; W199-P232 HydrophobicContact CZ3-CB 4.29Å; W199-P232 HydrophobicContact CZ3-CG 4.47Å; P232-L251 HydrophobicContact CB-CB 4.05Å; P232-L251 WeakPolarHBondContact CB-O 3.31Å; P232-L251 WeakPolarHBondContact CG-O 3.47Å; P232-K253 HydrophobicContact CG-CD 4.06Å; P232-K253 HydrophobicContact CG-CG 3.83Å
233P97.2Very high95Very high35 Ų3565 Ų6523%0.22735%0.345CS..PPolyproline II helixtrans-64.2153173.423.2-24.3000110.2I203 I206 P214 L251I203-P233 HydrophobicContact CD1-CG 3.71Å; I206-P233 HydrophobicContact CD1-CB 4.24Å; I206-P233 HydrophobicContact CD1-CG 4.45Å; P214-P233 HydrophobicContact CB-CB 3.91Å; P214-P233 HydrophobicContact CB-CG 4.21Å; P214-P233 HydrophobicContact CG-CB 3.78Å; P214-P233 HydrophobicContact CG-CG 3.95Å; P233-L251 HydrophobicContact CG-CD1 3.92Å; P233-L251 VanDerWaalsContact O-CD1 3.24Å; P233-L251 WeakPolarHBondContact O-CD1 3.45Å
234T97.6Very high95.4Very high85 Ų8568.5 Ų68.552%0.52136%0.36SS..  trans-123.8154177.766.70000110.2E236T234-E236 PolarHBondContact O-N 2.9Å; T234-E236 VanDerWaalsContact O-N 3.1Å
235L98Very high95.8Very high6 Ų669.3 Ų69.33%0.03136%0.363CS..  trans-79.493175.4-177.364.6000110.3I206 A209 H239 F243 K244 V247I206-L235 HydrophobicContact CG1-CB 4.48Å; I206-L235 HydrophobicContact CG1-CD1 4.34Å; I206-L235 HydrophobicContact CG2-CD1 4.48Å; A209-L235 HydrophobicContact CB-CD1 3.77Å; L235-H239 HydrophobicContact CD2-CB 3.81Å; L235-H239 HydrophobicContact CG-CB 4.21Å; L235-F243 HydrophobicContact CD2-CB 4.31Å; L235-F243 HydrophobicContact CD2-CD1 3.31Å; L235-F243 HydrophobicContact CD2-CD2 3.99Å; L235-F243 HydrophobicContact CD2-CE1 3.43Å; L235-F243 VanDerWaalsContact CD2-CE1 3.43Å; L235-F243 HydrophobicContact CD2-CE2 4.08Å; L235-F243 HydrophobicContact CD2-CG 3.6Å; L235-F243 HydrophobicContact CD2-CZ 3.8Å; L235-K244 HydrophobicContact CB-CG 4.32Å; L235-K244 HydrophobicContact CD2-CG 4.35Å; L235-K244 HydrophobicContact CG-CG 4.45Å; L235-K244 WeakPolarHBondContact O-CD 3.29Å; L235-K244 VanDerWaalsContact O-CE 3.26Å; L235-K244 WeakPolarHBondContact O-CE 3.14Å; L235-K244 WeakPolarHBondContact O-CG 3.4Å; L235-V247 HydrophobicContact CB-CB 4.23Å; L235-V247 HydrophobicContact CB-CG1 4.18Å; L235-V247 HydrophobicContact CB-CG2 4.14Å; L235-V247 HydrophobicContact CD2-CG2 4.14Å
236E94Very high96.2Very high125 Ų12562.8 Ų62.858%0.58433%0.334SS*.  trans-80.5163.3176-60.2177.1174.400112.6T234 H239T234-E236 PolarHBondContact O-N 2.9Å; T234-E236 VanDerWaalsContact O-N 3.1Å; E236-H239 PolarHBondContact O-CD2 2.77Å
237G93.3Very high96.5Very high46 Ų4661.1 Ų61.147%0.47433%0.326SS..SBendtrans98.1-169179.600000113.9H239 K244G237-H239 PolarHBondContact O-N 3Å; G237-K244 VanDerWaalsContact O-CE 3.3Å; G237-K244 WeakPolarHBondContact O-CE 3.48Å; G237-K244 PolarHBondContact O-NZ 3.37Å
238Q94.2Very high96.7Very high196 Ų19666.9 Ų66.992%0.91635%0.352SS*.SBendtrans-86.351.9-173.8-61.3-69.159.500112.5
239H97.6Very high97.1Very high45 Ų4567.2 Ų67.221%0.20836%0.357CS..  trans-94.5153.7174.1-61.3-66000112.1E114 L235 E236 G237 F243 K244E114-H239 WeakPolarHBondContact OE1-CA 3.19Å; E114-H239 VanDerWaalsContact OE1-CB 3.31Å; E114-H239 WeakPolarHBondContact OE1-CB 3.35Å; E114-H239 IonicContact OE1-CG 2.55Å; E114-H239 IonicContact OE1-ND1 2.95Å; E114-H239 PolarHBondContact OE1-ND1 3.37Å; L235-H239 HydrophobicContact CD2-CB 3.81Å; L235-H239 HydrophobicContact CG-CB 4.21Å; E236-H239 PolarHBondContact O-CD2 2.77Å; G237-H239 PolarHBondContact O-N 3Å; H239-F243 HydrophobicContact CB-CD1 4.12Å; H239-K244 HydrophobicContact CB-CG 4.31Å; H239-K244 WeakPolarHBondContact O-CE 3.25Å
240S98.2Very high97.3Very high23 Ų2359.3 Ų59.316%0.16132%0.323CS..  trans-61.7145.3179.779.70000111.2E114 F243 K244E114-S240 PolarHBondContact OE1-N 3.09Å; E114-S240 WeakPolarHBondContact OE2-CB 3.29Å; E114-S240 PolarHBondContact OE2-OG 2.7Å; S240-F243 WeakPolarHBondContact O-CB 3.26Å; S240-F243 PolarHBondContact O-N 3.16Å; S240-F243 WeakPolarHBondContact OG-CB 3.37Å; S240-F243 PolarHBondContact OG-N 2.93Å; S240-K244 PolarHBondContact O-N 3.35Å; S240-K244 VanDerWaalsContact O-N 3.08Å
241K98.2Very high97.5Very high149 Ų14955.4 Ų55.465%0.64830%0.302SS*.Hα-helixtrans-54-46176.1175.5173.9179.3177.30112.3F243 K244 E245K241-F243 VanDerWaalsContact C-N 3.27Å; K241-F243 PolarHBondContact O-N 3.09Å; K241-K244 PolarHBondContact O-N 2.57Å; K241-E245 VanDerWaalsContact C-OE2 3.29Å; K241-E245 WeakPolarHBondContact CE-OE1 3.3Å; K241-E245 HydrophobicContact CG-CG 4.32Å; K241-E245 WeakPolarHBondContact CG-OE2 3.43Å; K241-E245 WeakPolarHBondContact O-CG 3.31Å; K241-E245 PolarHBondContact O-N 3.22Å
242P98.6Very high97.6Very high16 Ų1653.1 Ų53.110%0.10428%0.281CS..Hα-helixtrans-53.5-39.6172.9-31.139.5000114.4E245 F246 H267 K268 F269 Y273P242-E245 WeakPolarHBondContact CA-OE2 3.47Å; P242-F246 PolarHBondContact O-N 3.21Å; P242-H267 PolarHBondContact O-CE1 3.14Å; P242-K268 HydrophobicContact CB-CD 4.38Å; P242-K268 HydrophobicContact CB-CG 4.11Å; P242-K268 HydrophobicContact CG-CD 4.47Å; P242-F269 HydrophobicContact CB-CB 4.2Å; P242-F269 HydrophobicContact CB-CD2 4.36Å; P242-Y273 HydrophobicContact CB-CE2 4.03Å; P242-Y273 HydrophobicContact CG-CE2 4.08Å
243F98.8Very high97.5Very high0 Ų054.2 Ų54.20%028%0.282CS..Hα-helixtrans-69.7-45.3-179.8-169.9-164.2000111.7E114 I117 L121 A205 A209 L235 H239 S240 K241 E245 F246 V247 F269E114-F243 HydrophobicContact CG-CD1 3.78Å; E114-F243 HydrophobicContact CG-CE1 4.24Å; I117-F243 HydrophobicContact CD1-CE1 4.06Å; I117-F243 HydrophobicContact CD1-CZ 4.26Å; I117-F243 HydrophobicContact CG2-CE1 4.4Å; I117-F243 HydrophobicContact CG2-CE2 4.17Å; I117-F243 HydrophobicContact CG2-CZ 3.7Å; L121-F243 HydrophobicContact CD1-CE2 4.26Å; A205-F243 HydrophobicContact CB-CE2 4.12Å; A205-F243 WeakPolarHBondContact O-CZ 3.39Å; A209-F243 HydrophobicContact CB-CE1 3.67Å; A209-F243 HydrophobicContact CB-CZ 3.9Å; L235-F243 HydrophobicContact CD2-CB 4.31Å; L235-F243 HydrophobicContact CD2-CD1 3.31Å; L235-F243 HydrophobicContact CD2-CD2 3.99Å; L235-F243 HydrophobicContact CD2-CE1 3.43Å; L235-F243 VanDerWaalsContact CD2-CE1 3.43Å; L235-F243 HydrophobicContact CD2-CE2 4.08Å; L235-F243 HydrophobicContact CD2-CG 3.6Å; L235-F243 HydrophobicContact CD2-CZ 3.8Å; H239-F243 HydrophobicContact CB-CD1 4.12Å; S240-F243 WeakPolarHBondContact O-CB 3.26Å; S240-F243 PolarHBondContact O-N 3.16Å; S240-F243 WeakPolarHBondContact OG-CB 3.37Å; S240-F243 PolarHBondContact OG-N 2.93Å; K241-F243 VanDerWaalsContact C-N 3.27Å; K241-F243 PolarHBondContact O-N 3.09Å; F243-E245 VanDerWaalsContact C-N 3.31Å; F243-E245 PolarHBondContact O-N 2.92Å; F243-F246 WeakPolarHBondContact O-CB 3.46Å; F243-F246 PolarHBondContact O-N 2.87Å; F243-F246 VanDerWaalsContact O-N 3.11Å; F243-V247 HydrophobicContact CD2-CG2 4.18Å; F243-V247 HydrophobicContact CE2-CG2 3.96Å; F243-V247 PolarHBondContact O-N 3.01Å; F243-V247 VanDerWaalsContact O-N 3.07Å; F243-F269 HydrophobicContact CB-CD2 3.64Å; F243-F269 HydrophobicContact CB-CE1 4.46Å; F243-F269 HydrophobicContact CB-CE2 3.47Å; F243-F269 VanDerWaalsContact CB-CE2 3.47Å; F243-F269 HydrophobicContact CB-CG 4.23Å; F243-F269 HydrophobicContact CB-CZ 3.91Å; F243-F269 HydrophobicContact CD1-CE2 4.23Å; F243-F269 AromaticContact CD1-CZ 3.98Å; F243-F269 HydrophobicContact CD1-CZ 3.98Å; F243-F269 AromaticContact CD2-CD1 3.75Å; F243-F269 HydrophobicContact CD2-CD1 3.75Å; F243-F269 HydrophobicContact CD2-CD2 4.26Å; F243-F269 AromaticContact CD2-CE1 3.31Å; F243-F269 HydrophobicContact CD2-CE1 3.31Å; F243-F269 AromaticContact CD2-CE2 3.89Å; F243-F269 HydrophobicContact CD2-CE2 3.89Å; F243-F269 HydrophobicContact CD2-CG 4.21Å; F243-F269 AromaticContact CD2-CZ 3.4Å; F243-F269 HydrophobicContact CD2-CZ 3.4Å; F243-F269 HydrophobicContact CE1-CZ 4.38Å; F243-F269 HydrophobicContact CE2-CD1 4.36Å; F243-F269 AromaticContact CE2-CE1 3.63Å; F243-F269 HydrophobicContact CE2-CE1 3.63Å; F243-F269 AromaticContact CE2-CZ 3.85Å; F243-F269 HydrophobicContact CE2-CZ 3.85Å; F243-F269 HydrophobicContact CG-CD1 4.43Å; F243-F269 HydrophobicContact CG-CD2 4.13Å; F243-F269 AromaticContact CG-CE1 3.93Å; F243-F269 HydrophobicContact CG-CE1 3.93Å; F243-F269 AromaticContact CG-CE2 3.61Å; F243-F269 HydrophobicContact CG-CE2 3.61Å; F243-F269 AromaticContact CG-CZ 3.49Å; F243-F269 HydrophobicContact CG-CZ 3.49Å; F243-F269 VanDerWaalsContact CG-CZ 3.49Å; F243-F269 HydrophobicContact CZ-CE1 4.45Å; F243-F269 HydrophobicContact CZ-CZ 4.33Å
244K98.7Very high97.5Very high73 Ų7354.3 Ų54.332%0.31728%0.281SS..Hα-helixtrans-57.7-43.8175.3-64.6-176.3177.4179.20112.2L235 G237 H239 S240 K241 F246 V247 E248L235-K244 HydrophobicContact CB-CG 4.32Å; L235-K244 HydrophobicContact CD2-CG 4.35Å; L235-K244 HydrophobicContact CG-CG 4.45Å; L235-K244 WeakPolarHBondContact O-CD 3.29Å; L235-K244 VanDerWaalsContact O-CE 3.26Å; L235-K244 WeakPolarHBondContact O-CE 3.14Å; L235-K244 WeakPolarHBondContact O-CG 3.4Å; G237-K244 VanDerWaalsContact O-CE 3.3Å; G237-K244 WeakPolarHBondContact O-CE 3.48Å; G237-K244 PolarHBondContact O-NZ 3.37Å; H239-K244 HydrophobicContact CB-CG 4.31Å; H239-K244 WeakPolarHBondContact O-CE 3.25Å; S240-K244 PolarHBondContact O-N 3.35Å; S240-K244 VanDerWaalsContact O-N 3.08Å; K241-K244 PolarHBondContact O-N 2.57Å; K244-F246 VanDerWaalsContact C-N 3.33Å; K244-F246 PolarHBondContact O-N 3.33Å; K244-V247 PolarHBondContact O-N 2.85Å; K244-E248 WeakPolarHBondContact O-CB 3.47Å; K244-E248 PolarHBondContact O-N 3.48Å
245E98.6Very high97.4Very high47 Ų4751.9 Ų51.922%0.2227%0.266CS..Hα-helixtrans-68-31.1177.8-69161.3130.400112.5K241 P242 F243 A249 K268K241-E245 VanDerWaalsContact C-OE2 3.29Å; K241-E245 WeakPolarHBondContact CE-OE1 3.3Å; K241-E245 HydrophobicContact CG-CG 4.32Å; K241-E245 WeakPolarHBondContact CG-OE2 3.43Å; K241-E245 WeakPolarHBondContact O-CG 3.31Å; K241-E245 PolarHBondContact O-N 3.22Å; P242-E245 WeakPolarHBondContact CA-OE2 3.47Å; F243-E245 VanDerWaalsContact C-N 3.31Å; F243-E245 PolarHBondContact O-N 2.92Å; E245-A249 WeakPolarHBondContact O-CB 3.41Å; E245-A249 PolarHBondContact O-N 3.03Å; E245-K268 IonicContact OE1-NZ 3.32Å; E245-K268 PolarHBondContact OE1-NZ 3.43Å; E245-K268 WeakPolarHBondContact OE2-CE 3.39Å; E245-K268 IonicContact OE2-NZ 2.78Å; E245-K268 PolarHBondContact OE2-NZ 3.19Å
246F98.9Very high97.3Very high0 Ų060.8 Ų60.80%030%0.299CS..Hα-helixtrans-63.7-48.2172.5177.5-89.9000111L121 L125 L201 A205 P242 F243 K244 A249 C250 L264 H267 F269 I270L121-F246 HydrophobicContact CD1-CD1 4.39Å; L121-F246 HydrophobicContact CD1-CE1 3.86Å; L121-F246 HydrophobicContact CD1-CZ 4.4Å; L125-F246 HydrophobicContact CD1-CE2 4.03Å; L125-F246 HydrophobicContact CD1-CZ 4.08Å; L201-F246 HydrophobicContact CD2-CZ 4.18Å; A205-F246 HydrophobicContact CB-CE1 4.34Å; P242-F246 PolarHBondContact O-N 3.21Å; F243-F246 WeakPolarHBondContact O-CB 3.46Å; F243-F246 PolarHBondContact O-N 2.87Å; F243-F246 VanDerWaalsContact O-N 3.11Å; K244-F246 VanDerWaalsContact C-N 3.33Å; K244-F246 PolarHBondContact O-N 3.33Å; F246-A249 PolarHBondContact O-N 3.44Å; F246-C250 PolarHBondContact O-N 2.89Å; F246-C250 VanDerWaalsContact O-N 3.16Å; F246-C250 PolarHBondContact O-SG 3.36Å; F246-L264 HydrophobicContact CD2-CD2 4.02Å; F246-L264 HydrophobicContact CE2-CB 4.17Å; F246-L264 HydrophobicContact CE2-CD2 3.76Å; F246-L264 HydrophobicContact CE2-CG 4.39Å; F246-L264 HydrophobicContact CZ-CD2 4.45Å; F246-H267 VanDerWaalsContact CA-CE1 3.47Å; F246-H267 WeakPolarHBondContact CA-CE1 3.24Å; F246-H267 HydrophobicContact CD2-CB 4Å; F246-H267 AromaticContact CD2-CG 3.83Å; F246-H267 AromaticContact CD2-ND1 3.56Å; F246-H267 HydrophobicContact CE2-CB 4.5Å; F246-H267 PolarHBondContact N-CE1 3.26Å; F246-F269 HydrophobicContact CB-CB 3.96Å; F246-F269 HydrophobicContact CB-CD1 4.2Å; F246-F269 HydrophobicContact CB-CG 4.35Å; F246-F269 HydrophobicContact CD1-CD1 4.42Å; F246-F269 HydrophobicContact CD2-CB 4.45Å; F246-F269 HydrophobicContact CD2-CD1 4.45Å; F246-F269 HydrophobicContact CG-CB 4.41Å; F246-F269 HydrophobicContact CG-CD1 4.11Å; F246-I270 HydrophobicContact CD2-CD1 4.46Å; F246-I270 HydrophobicContact CD2-CG1 4.17Å; F246-I270 HydrophobicContact CE2-CD1 3.91Å; F246-I270 HydrophobicContact CE2-CG1 3.74Å; F246-I270 HydrophobicContact CZ-CD1 4.28Å
247V98.8Very high97.5Very high1 Ų161.7 Ų61.71%0.00630%0.301CS..Hα-helixtrans-62.4-45.9178.11720000110.7A205 I206 L235 F243 K244 A249 C250 L251A205-V247 HydrophobicContact CB-CG2 3.96Å; I206-V247 HydrophobicContact CD1-CG1 3.78Å; I206-V247 HydrophobicContact CG1-CG1 3.75Å; I206-V247 HydrophobicContact CG1-CG2 4.42Å; L235-V247 HydrophobicContact CB-CB 4.23Å; L235-V247 HydrophobicContact CB-CG1 4.18Å; L235-V247 HydrophobicContact CB-CG2 4.14Å; L235-V247 HydrophobicContact CD2-CG2 4.14Å; F243-V247 HydrophobicContact CD2-CG2 4.18Å; F243-V247 HydrophobicContact CE2-CG2 3.96Å; F243-V247 PolarHBondContact O-N 3.01Å; F243-V247 VanDerWaalsContact O-N 3.07Å; K244-V247 PolarHBondContact O-N 2.85Å; V247-A249 VanDerWaalsContact C-N 3.32Å; V247-A249 PolarHBondContact O-N 2.83Å; V247-C250 PolarHBondContact O-N 3.5Å; V247-C250 VanDerWaalsContact O-N 3.16Å; V247-L251 HydrophobicContact CG1-CD1 3.59Å; V247-L251 HydrophobicContact CG1-CG 4.25Å; V247-L251 WeakPolarHBondContact O-CB 3.13Å; V247-L251 WeakPolarHBondContact O-CG 3.45Å; V247-L251 PolarHBondContact O-N 3.29Å
248E98.5Very high97.7Very high134 Ų13459.6 Ų59.663%0.62628%0.279SS*.Hα-helixtrans-59-41.3177-175.5179.1-169.900112.4K244 C250 L251K244-E248 WeakPolarHBondContact O-CB 3.47Å; K244-E248 PolarHBondContact O-N 3.48Å; E248-C250 VanDerWaalsContact C-N 3.33Å; E248-C250 PolarHBondContact O-N 3.48Å; E248-L251 PolarHBondContact O-N 3.32Å
249A98.6Very high97.9Very high32 Ų3251.6 Ų51.626%0.26424%0.244SC..Hα-helixtrans-63.6-38.6176.700000112.4E245 F246 V247 P259E245-A249 WeakPolarHBondContact O-CB 3.41Å; E245-A249 PolarHBondContact O-N 3.03Å; F246-A249 PolarHBondContact O-N 3.44Å; V247-A249 VanDerWaalsContact C-N 3.32Å; V247-A249 PolarHBondContact O-N 2.83Å; A249-P259 HydrophobicContact CB-CG 4.27Å; A249-P259 WeakPolarHBondContact O-CD 2.78Å
250C98.8Very high98Very high0 Ų051.3 Ų51.30%025%0.245CC..Hα-helixtrans-70.2-41.1177.4-63.40000111.9I198 F246 V247 E248 N252 R258I198-C250 HydrophobicContact CG2-CB 4.24Å; I198-C250 WeakPolarHBondContact O-CB 3.32Å; F246-C250 PolarHBondContact O-N 2.89Å; F246-C250 VanDerWaalsContact O-N 3.16Å; F246-C250 PolarHBondContact O-SG 3.36Å; V247-C250 PolarHBondContact O-N 3.5Å; V247-C250 VanDerWaalsContact O-N 3.16Å; E248-C250 VanDerWaalsContact C-N 3.33Å; E248-C250 PolarHBondContact O-N 3.48Å; C250-N252 VanDerWaalsContact C-N 3.3Å; C250-N252 PolarHBondContact O-N 2.79Å; C250-N252 VanDerWaalsContact O-N 3.15Å; C250-R258 VanDerWaalsContact O-CD 3.26Å; C250-R258 WeakPolarHBondContact O-CD 3.41Å; C250-R258 WeakPolarHBondContact O-CG 3.28Å
251L98.6Very high98Very high5 Ų550.2 Ų50.23%0.02624%0.238CC..  trans-91.748.9-171.5-61.4-178.1000113.1W199 I203 I206 P232 P233 V247 E248W199-L251 HydrophobicContact CD2-CD2 3.8Å; W199-L251 HydrophobicContact CE3-CD2 4.01Å; W199-L251 HydrophobicContact CG-CD2 4.16Å; W199-L251 HydrophobicContact CZ2-CD2 4.36Å; W199-L251 HydrophobicContact CZ3-CB 4.33Å; W199-L251 HydrophobicContact CZ3-CD2 4.36Å; W199-L251 WeakPolarHBondContact O-CD2 3.4Å; I203-L251 HydrophobicContact CD1-CD1 4.18Å; I203-L251 HydrophobicContact CD1-CD2 3.76Å; I203-L251 HydrophobicContact CG1-CD2 4.03Å; I206-L251 HydrophobicContact CD1-CD1 3.76Å; P232-L251 HydrophobicContact CB-CB 4.05Å; P232-L251 WeakPolarHBondContact CB-O 3.31Å; P232-L251 WeakPolarHBondContact CG-O 3.47Å; P233-L251 HydrophobicContact CG-CD1 3.92Å; P233-L251 VanDerWaalsContact O-CD1 3.24Å; P233-L251 WeakPolarHBondContact O-CD1 3.45Å; V247-L251 HydrophobicContact CG1-CD1 3.59Å; V247-L251 HydrophobicContact CG1-CG 4.25Å; V247-L251 WeakPolarHBondContact O-CB 3.13Å; V247-L251 WeakPolarHBondContact O-CG 3.45Å; V247-L251 PolarHBondContact O-N 3.29Å; E248-L251 PolarHBondContact O-N 3.32Å
252N97.9Very high98Very high59 Ų5949.1 Ų49.132%0.31623%0.233SC..  trans-86.5133.2170.1-161.1-52.7000110.7C250 D254 F257 R258C250-N252 VanDerWaalsContact C-N 3.3Å; C250-N252 PolarHBondContact O-N 2.79Å; C250-N252 VanDerWaalsContact O-N 3.15Å; N252-D254 PolarHBondContact O-N 3.19Å; N252-D254 PolarHBondContact OD1-N 3.19Å; N252-D254 PolarHBondContact OD1-O 3.16Å; N252-F257 HydrophobicContact CB-CB 4.48Å; N252-F257 WeakPolarHBondContact ND2-CB 3.47Å; N252-R258 HydrophobicContact CB-CG 3.87Å; N252-R258 VanDerWaalsContact O-CZ 3.3Å; N252-R258 PolarHBondContact O-NE 3.29Å; N252-R258 PolarHBondContact O-NH2 2.86Å
253K95.5Very high98Very high62 Ų6253.4 Ų53.427%0.2725%0.252SS..SBendtrans-62.3-34.1177-72.4-56.7-172.5-166.20112.9P184 W199 I227 N230 P232 P255P184-K253 HydrophobicContact CB-CD 4.29Å; P184-K253 HydrophobicContact CG-CD 3.57Å; W199-K253 HydrophobicContact CH2-CD 4.08Å; W199-K253 HydrophobicContact CZ3-CD 4.12Å; I227-K253 PolarHBondContact O-NZ 2.84Å; N230-K253 WeakPolarHBondContact O-CE 3.4Å; N230-K253 PolarHBondContact O-NZ 3.1Å; P232-K253 HydrophobicContact CG-CD 4.06Å; P232-K253 HydrophobicContact CG-CG 3.83Å; K253-P255 WeakPolarHBondContact O-CD 3.48Å
254D95.4Very high98Very high37 Ų3753.5 Ų53.520%0.19825%0.253CS..SBendtrans-90111.9177.2-175.3-18.2000108.9N252 R256 F257N252-D254 PolarHBondContact O-N 3.19Å; N252-D254 PolarHBondContact OD1-N 3.19Å; N252-D254 PolarHBondContact OD1-O 3.16Å; D254-R256 PolarHBondContact O-N 3.33Å; D254-R256 VanDerWaalsContact OD1-CB 3.27Å; D254-R256 WeakPolarHBondContact OD1-CB 3.49Å; D254-R256 WeakPolarHBondContact OD1-CG 3.35Å; D254-R256 IonicContact OD1-CZ 3.48Å; D254-R256 PolarHBondContact OD1-N 3.39Å; D254-R256 IonicContact OD1-NE 3.8Å; D254-R256 PolarHBondContact OD1-NE 3.35Å; D254-R256 IonicContact OD1-NH2 2.64Å; D254-R256 IonicContact OD2-CZ 3.73Å; D254-R256 IonicContact OD2-NE 3.49Å; D254-R256 PolarHBondContact OD2-NE 3.16Å; D254-R256 IonicContact OD2-NH2 3.67Å; D254-R256 PolarHBondContact OD2-NH2 3.22Å; D254-F257 HydrophobicContact CB-CD2 3.69Å; D254-F257 HydrophobicContact CB-CE2 4.23Å; D254-F257 PolarHBondContact O-N 2.93Å; D254-F257 WeakPolarHBondContact OD2-CE2 3.49Å
255P95.8Very high98Very high33 Ų3352 Ų5221%0.21425%0.247CC..G310 helixtrans-59.7-22.3-176.923.5-33.4000113.2K195 K253 F257 R258K195-P255 HydrophobicContact CB-CB 3.91Å; K195-P255 PolarHBondContact NZ-O 2.93Å; K253-P255 WeakPolarHBondContact O-CD 3.48Å; P255-F257 VanDerWaalsContact C-N 3.27Å; P255-F257 PolarHBondContact O-N 3.23Å; P255-R258 PolarHBondContact O-N 3.1Å
256R96.2Very high98Very high194 Ų19457 Ų5773%0.73227%0.269SS*.G310 helixtrans-67.4-28.7178-58.9175-63.9174.72.1112.6D254D254-R256 PolarHBondContact O-N 3.33Å; D254-R256 VanDerWaalsContact OD1-CB 3.27Å; D254-R256 WeakPolarHBondContact OD1-CB 3.49Å; D254-R256 WeakPolarHBondContact OD1-CG 3.35Å; D254-R256 IonicContact OD1-CZ 3.48Å; D254-R256 PolarHBondContact OD1-N 3.39Å; D254-R256 IonicContact OD1-NE 3.8Å; D254-R256 PolarHBondContact OD1-NE 3.35Å; D254-R256 IonicContact OD1-NH2 2.64Å; D254-R256 IonicContact OD2-CZ 3.73Å; D254-R256 IonicContact OD2-NE 3.49Å; D254-R256 PolarHBondContact OD2-NE 3.16Å; D254-R256 IonicContact OD2-NH2 3.67Å; D254-R256 PolarHBondContact OD2-NH2 3.22Å
257F97.8Very high98Very high143 Ų14358.7 Ų58.763%0.62728%0.277SS*.G310 helixtrans-90.9-6178-64.3-54.3000113.3N252 D254 P255N252-F257 HydrophobicContact CB-CB 4.48Å; N252-F257 WeakPolarHBondContact ND2-CB 3.47Å; D254-F257 HydrophobicContact CB-CD2 3.69Å; D254-F257 HydrophobicContact CB-CE2 4.23Å; D254-F257 PolarHBondContact O-N 2.93Å; D254-F257 WeakPolarHBondContact OD2-CE2 3.49Å; P255-F257 VanDerWaalsContact C-N 3.27Å; P255-F257 PolarHBondContact O-N 3.23Å
258R98.4Very high98Very high3 Ų362 Ų621%0.01129%0.291CS..SBendtrans-72.7133.5170.7-61.6-178.6-159142.812.3109.5E185 K195 I198 C250 N252 P255E185-R258 IonicContact OE1-CZ 2.76Å; E185-R258 IonicContact OE1-NH1 2.85Å; E185-R258 PolarHBondContact OE1-NH1 3.1Å; E185-R258 IonicContact OE1-NH2 3.86Å; E185-R258 PolarHBondContact OE1-NH2 2.72Å; E185-R258 IonicContact OE2-CZ 2.66Å; E185-R258 IonicContact OE2-NH1 3.07Å; E185-R258 IonicContact OE2-NH2 2.95Å; E185-R258 PolarHBondContact OE2-NH2 3.3Å; K195-R258 HydrophobicContact CD-CB 4.32Å; K195-R258 WeakPolarHBondContact CE-O 3.37Å; K195-R258 PolarHBondContact NZ-O 3.32Å; K195-R258 PolarHBondContact O-NH1 3.01Å; I198-R258 HydrophobicContact CG2-CB 4.17Å; C250-R258 VanDerWaalsContact O-CD 3.26Å; C250-R258 WeakPolarHBondContact O-CD 3.41Å; C250-R258 WeakPolarHBondContact O-CG 3.28Å; N252-R258 HydrophobicContact CB-CG 3.87Å; N252-R258 VanDerWaalsContact O-CZ 3.3Å; N252-R258 PolarHBondContact O-NE 3.29Å; N252-R258 PolarHBondContact O-NH2 2.86Å; P255-R258 PolarHBondContact O-N 3.1Å
259P98.5Very high98Very high28 Ų2855.6 Ų55.618%0.18226%0.261CS..PPolyproline II helixtrans-64.3156171.528.6-34.3000111.1A249 E263 L264A249-P259 HydrophobicContact CB-CG 4.27Å; A249-P259 WeakPolarHBondContact O-CD 2.78Å; P259-E263 HydrophobicContact CB-CB 3.95Å; P259-L264 HydrophobicContact CB-CD2 4.2Å; P259-L264 HydrophobicContact CB-CG 3.98Å; P259-L264 HydrophobicContact CG-CD1 4.02Å; P259-L264 HydrophobicContact CG-CD2 3.4Å; P259-L264 HydrophobicContact CG-CG 3.53Å
260T98.6Very high98Very high38 Ų3854.3 Ų54.323%0.23325%0.249CC..PPolyproline II helixtrans-71.6161.516859.80000111F194 K262 E263 L264F194-T260 HydrophobicContact CE2-CG2 4.19Å; T260-K262 PolarHBondContact O-N 3.3Å; T260-E263 WeakPolarHBondContact CB-OE2 3.38Å; T260-E263 WeakPolarHBondContact CG2-OE2 3.08Å; T260-E263 PolarHBondContact N-OE2 3.23Å; T260-E263 PolarHBondContact O-N 2.64Å; T260-E263 VanDerWaalsContact OG1-CD 3.29Å; T260-E263 VanDerWaalsContact OG1-CG 3.26Å; T260-E263 WeakPolarHBondContact OG1-CG 3.45Å; T260-E263 PolarHBondContact OG1-N 3.23Å; T260-E263 PolarHBondContact OG1-OE2 3.07Å; T260-L264 PolarHBondContact O-N 2.85Å
261A98.7Very high98Very high1 Ų158.5 Ų58.51%0.00828%0.275CS..Hα-helixtrans-55.5-41.6173.300000111.8L125 L128 D129 I198 E263 L264 L265L125-A261 HydrophobicContact CD2-CB 4.02Å; L128-A261 HydrophobicContact CB-CB 3.78Å; D129-A261 HydrophobicContact CB-CB 4.1Å; I198-A261 HydrophobicContact CD1-CB 4.17Å; A261-E263 VanDerWaalsContact C-N 3.32Å; A261-E263 PolarHBondContact O-N 3.06Å; A261-L264 PolarHBondContact O-N 3.15Å; A261-L265 WeakPolarHBondContact O-CG 3.37Å; A261-L265 PolarHBondContact O-N 2.71Å
262K98.6Very high98Very high126 Ų12666.9 Ų66.955%0.54831%0.307SS..Hα-helixtrans-56.9-38.7174-165166.9-176.51660114.5D129 T260D129-K262 WeakPolarHBondContact OD1-CB 3.47Å; T260-K262 PolarHBondContact O-N 3.3Å
263E98.8Very high98Very high106 Ų10667.8 Ų67.850%0.49531%0.306SS..Hα-helixtrans-75.2-40.3177-72.8163.5140.300111.1P259 T260 A261 L265 K266P259-E263 HydrophobicContact CB-CB 3.95Å; T260-E263 WeakPolarHBondContact CB-OE2 3.38Å; T260-E263 WeakPolarHBondContact CG2-OE2 3.08Å; T260-E263 PolarHBondContact N-OE2 3.23Å; T260-E263 PolarHBondContact O-N 2.64Å; T260-E263 VanDerWaalsContact OG1-CD 3.29Å; T260-E263 VanDerWaalsContact OG1-CG 3.26Å; T260-E263 WeakPolarHBondContact OG1-CG 3.45Å; T260-E263 PolarHBondContact OG1-N 3.23Å; T260-E263 PolarHBondContact OG1-OE2 3.07Å; A261-E263 VanDerWaalsContact C-N 3.32Å; A261-E263 PolarHBondContact O-N 3.06Å; E263-L265 VanDerWaalsContact C-N 3.3Å; E263-L265 PolarHBondContact O-N 3.44Å; E263-K266 WeakPolarHBondContact O-CB 3.44Å; E263-K266 PolarHBondContact O-N 2.74Å
264L98.8Very high98.1Very high2 Ų266.2 Ų66.21%0.0130%0.302CS..Hα-helixtrans-64.7-30.5177.1-76.4173.8000113.3L125 I198 L201 F246 P259 T260 A261 K266 H267L125-L264 HydrophobicContact CD1-CB 3.85Å; L125-L264 HydrophobicContact CD2-CB 3.5Å; L125-L264 HydrophobicContact CD2-CD1 3.81Å; L125-L264 HydrophobicContact CD2-CG 4.32Å; L125-L264 HydrophobicContact CG-CB 4.35Å; I198-L264 HydrophobicContact CD1-CD1 4.2Å; I198-L264 HydrophobicContact CG2-CD1 3.8Å; L201-L264 HydrophobicContact CD2-CD1 4.11Å; F246-L264 HydrophobicContact CD2-CD2 4.02Å; F246-L264 HydrophobicContact CE2-CB 4.17Å; F246-L264 HydrophobicContact CE2-CD2 3.76Å; F246-L264 HydrophobicContact CE2-CG 4.39Å; F246-L264 HydrophobicContact CZ-CD2 4.45Å; P259-L264 HydrophobicContact CB-CD2 4.2Å; P259-L264 HydrophobicContact CB-CG 3.98Å; P259-L264 HydrophobicContact CG-CD1 4.02Å; P259-L264 HydrophobicContact CG-CD2 3.4Å; P259-L264 HydrophobicContact CG-CG 3.53Å; T260-L264 PolarHBondContact O-N 2.85Å; A261-L264 PolarHBondContact O-N 3.15Å; L264-K266 PolarHBondContact O-N 3.25Å; L264-K266 VanDerWaalsContact O-N 3.12Å; L264-H267 WeakPolarHBondContact O-CB 3.36Å; L264-H267 PolarHBondContact O-N 3.41Å
265L98.8Very high98.3Very high40 Ų4069.1 Ų69.121%0.20931%0.313CS..THydrogen-bonded Turntrans-57.5-24.8171.1-77170.9000112.9R122 L125 K126 D129 A261 E263R122-L265 HydrophobicContact CG-CD2 4.02Å; L125-L265 HydrophobicContact CB-CD2 3.57Å; L125-L265 HydrophobicContact CB-CG 3.89Å; L125-L265 HydrophobicContact CD1-CD2 4.33Å; K126-L265 HydrophobicContact CG-CD1 4.34Å; K126-L265 HydrophobicContact CG-CD2 3.92Å; D129-L265 HydrophobicContact CB-CD1 4.45Å; A261-L265 WeakPolarHBondContact O-CG 3.37Å; A261-L265 PolarHBondContact O-N 2.71Å; E263-L265 VanDerWaalsContact C-N 3.3Å; E263-L265 PolarHBondContact O-N 3.44Å
266K98.6Very high98.4Very high153 Ų15375.3 Ų75.367%0.66534%0.336SS*.THydrogen-bonded Turntrans-93-2.4177-55.4175.9-174.6175.20112.7E263 L264E263-K266 WeakPolarHBondContact O-CB 3.44Å; E263-K266 PolarHBondContact O-N 2.74Å; L264-K266 PolarHBondContact O-N 3.25Å; L264-K266 VanDerWaalsContact O-N 3.12Å
267H98.7Very high98.5Very high36 Ų3667.5 Ų67.517%0.16731%0.31CS..SBendtrans-63.1146.1-178.8-168.8-98.6000111P242 F246 L264 F269 I270 T271P242-H267 PolarHBondContact O-CE1 3.14Å; F246-H267 VanDerWaalsContact CA-CE1 3.47Å; F246-H267 WeakPolarHBondContact CA-CE1 3.24Å; F246-H267 HydrophobicContact CD2-CB 4Å; F246-H267 AromaticContact CD2-CG 3.83Å; F246-H267 AromaticContact CD2-ND1 3.56Å; F246-H267 HydrophobicContact CE2-CB 4.5Å; F246-H267 PolarHBondContact N-CE1 3.26Å; L264-H267 WeakPolarHBondContact O-CB 3.36Å; L264-H267 PolarHBondContact O-N 3.41Å; H267-F269 PolarHBondContact ND1-N 3.39Å; H267-F269 PolarHBondContact O-N 3.39Å; H267-I270 PolarHBondContact O-N 3.3Å; H267-I270 VanDerWaalsContact O-N 3.17Å; H267-T271 PolarHBondContact O-N 3.44Å; H267-T271 PolarHBondContact O-OG1 3.04Å
268K98.3Very high98.5Very high70 Ų7063.9 Ų63.930%0.30430%0.302SS..Hα-helixtrans-61.4-28.3-176.455.9-179.1172.7-171.50114.2P242 E245 T271 R272P242-K268 HydrophobicContact CB-CD 4.38Å; P242-K268 HydrophobicContact CB-CG 4.11Å; P242-K268 HydrophobicContact CG-CD 4.47Å; E245-K268 IonicContact OE1-NZ 3.32Å; E245-K268 PolarHBondContact OE1-NZ 3.43Å; E245-K268 WeakPolarHBondContact OE2-CE 3.39Å; E245-K268 IonicContact OE2-NZ 2.78Å; E245-K268 PolarHBondContact OE2-NZ 3.19Å; K268-T271 WeakPolarHBondContact CA-OG1 3.35Å; K268-R272 WeakPolarHBondContact O-CB 3.39Å; K268-R272 WeakPolarHBondContact O-CG 3.46Å; K268-R272 PolarHBondContact O-N 2.97Å; K268-R272 VanDerWaalsContact O-N 3.16Å
269F98.8Very high98.4Very high0 Ų065.1 Ų65.10%031%0.308CS..Hα-helixtrans-64.6-54.2173.5-177.1-122.1000110.6E114 A118 L121 P242 F243 F246 H267 T271 R272 Y273E114-F269 HydrophobicContact CB-CE2 4.07Å; E114-F269 HydrophobicContact CB-CZ 4.22Å; A118-F269 HydrophobicContact CB-CD1 4.32Å; A118-F269 HydrophobicContact CB-CE1 3.79Å; A118-F269 HydrophobicContact CB-CE2 4.24Å; A118-F269 HydrophobicContact CB-CZ 3.74Å; L121-F269 HydrophobicContact CD1-CE1 4.01Å; P242-F269 HydrophobicContact CB-CB 4.2Å; P242-F269 HydrophobicContact CB-CD2 4.36Å; F243-F269 HydrophobicContact CB-CD2 3.64Å; F243-F269 HydrophobicContact CB-CE1 4.46Å; F243-F269 HydrophobicContact CB-CE2 3.47Å; F243-F269 VanDerWaalsContact CB-CE2 3.47Å; F243-F269 HydrophobicContact CB-CG 4.23Å; F243-F269 HydrophobicContact CB-CZ 3.91Å; F243-F269 HydrophobicContact CD1-CE2 4.23Å; F243-F269 AromaticContact CD1-CZ 3.98Å; F243-F269 HydrophobicContact CD1-CZ 3.98Å; F243-F269 AromaticContact CD2-CD1 3.75Å; F243-F269 HydrophobicContact CD2-CD1 3.75Å; F243-F269 HydrophobicContact CD2-CD2 4.26Å; F243-F269 AromaticContact CD2-CE1 3.31Å; F243-F269 HydrophobicContact CD2-CE1 3.31Å; F243-F269 AromaticContact CD2-CE2 3.89Å; F243-F269 HydrophobicContact CD2-CE2 3.89Å; F243-F269 HydrophobicContact CD2-CG 4.21Å; F243-F269 AromaticContact CD2-CZ 3.4Å; F243-F269 HydrophobicContact CD2-CZ 3.4Å; F243-F269 HydrophobicContact CE1-CZ 4.38Å; F243-F269 HydrophobicContact CE2-CD1 4.36Å; F243-F269 AromaticContact CE2-CE1 3.63Å; F243-F269 HydrophobicContact CE2-CE1 3.63Å; F243-F269 AromaticContact CE2-CZ 3.85Å; F243-F269 HydrophobicContact CE2-CZ 3.85Å; F243-F269 HydrophobicContact CG-CD1 4.43Å; F243-F269 HydrophobicContact CG-CD2 4.13Å; F243-F269 AromaticContact CG-CE1 3.93Å; F243-F269 HydrophobicContact CG-CE1 3.93Å; F243-F269 AromaticContact CG-CE2 3.61Å; F243-F269 HydrophobicContact CG-CE2 3.61Å; F243-F269 AromaticContact CG-CZ 3.49Å; F243-F269 HydrophobicContact CG-CZ 3.49Å; F243-F269 VanDerWaalsContact CG-CZ 3.49Å; F243-F269 HydrophobicContact CZ-CE1 4.45Å; F243-F269 HydrophobicContact CZ-CZ 4.33Å; F246-F269 HydrophobicContact CB-CB 3.96Å; F246-F269 HydrophobicContact CB-CD1 4.2Å; F246-F269 HydrophobicContact CB-CG 4.35Å; F246-F269 HydrophobicContact CD1-CD1 4.42Å; F246-F269 HydrophobicContact CD2-CB 4.45Å; F246-F269 HydrophobicContact CD2-CD1 4.45Å; F246-F269 HydrophobicContact CG-CB 4.41Å; F246-F269 HydrophobicContact CG-CD1 4.11Å; H267-F269 PolarHBondContact ND1-N 3.39Å; H267-F269 PolarHBondContact O-N 3.39Å; F269-T271 PolarHBondContact O-N 2.95Å; F269-R272 PolarHBondContact O-N 3.46Å; F269-Y273 AromaticContact CD2-CD2 3.79Å; F269-Y273 HydrophobicContact CD2-CD2 3.79Å; F269-Y273 HydrophobicContact CD2-CE2 4.3Å; F269-Y273 HydrophobicContact CD2-CG 4.12Å; F269-Y273 HydrophobicContact CE2-CD2 4.22Å; F269-Y273 HydrophobicContact CE2-CG 4.1Å; F269-Y273 WeakPolarHBondContact O-CB 3.34Å; F269-Y273 WeakPolarHBondContact O-CD2 3.44Å; F269-Y273 PolarHBondContact O-N 3.27Å
270I98.8Very high98.4Very high4 Ų463.8 Ų63.82%0.02130%0.299CS..Hα-helixtrans-60.6-49.9179.1-57.6-56.1000111.1L121 R122 L125 F246 H267 R272 T274L121-I270 HydrophobicContact CB-CD1 3.97Å; R122-I270 HydrophobicContact CB-CG2 3.85Å; R122-I270 HydrophobicContact CG-CG2 3.71Å; L125-I270 HydrophobicContact CD1-CD1 3.96Å; L125-I270 HydrophobicContact CD1-CG1 3.85Å; F246-I270 HydrophobicContact CD2-CD1 4.46Å; F246-I270 HydrophobicContact CD2-CG1 4.17Å; F246-I270 HydrophobicContact CE2-CD1 3.91Å; F246-I270 HydrophobicContact CE2-CG1 3.74Å; F246-I270 HydrophobicContact CZ-CD1 4.28Å; H267-I270 PolarHBondContact O-N 3.3Å; H267-I270 VanDerWaalsContact O-N 3.17Å; I270-R272 VanDerWaalsContact C-N 3.34Å; I270-R272 PolarHBondContact O-N 2.93Å; I270-T274 WeakPolarHBondContact O-CB 3.45Å; I270-T274 PolarHBondContact O-N 3.38Å; I270-T274 PolarHBondContact O-OG1 2.93Å
271T98.4Very high98.4Very high88 Ų8864 Ų6454%0.5430%0.3SS..Hα-helixtrans-70.8-23.5-174.552.60000114.5H267 K268 F269H267-T271 PolarHBondContact O-N 3.44Å; H267-T271 PolarHBondContact O-OG1 3.04Å; K268-T271 WeakPolarHBondContact CA-OG1 3.35Å; F269-T271 PolarHBondContact O-N 2.95Å
272R98Very high98.4Very high182 Ų18268.8 Ų68.869%0.68732%0.323SS*.Hα-helixtrans-100.5-33.2-177.6-63.9178.2-178.6-170.4-0.9114.4K268 F269 I270K268-R272 WeakPolarHBondContact O-CB 3.39Å; K268-R272 WeakPolarHBondContact O-CG 3.46Å; K268-R272 PolarHBondContact O-N 2.97Å; K268-R272 VanDerWaalsContact O-N 3.16Å; F269-R272 PolarHBondContact O-N 3.46Å; I270-R272 VanDerWaalsContact C-N 3.34Å; I270-R272 PolarHBondContact O-N 2.93Å
273Y98.2Very high98.4Very high78 Ų7863 Ų6331%0.30630%0.297SS..Hα-helixtrans-102.1-15.5-170.8-71-98.3000113.4T115 P242 F269T115-Y273 WeakPolarHBondContact CG2-O 3.49Å; P242-Y273 HydrophobicContact CB-CE2 4.03Å; P242-Y273 HydrophobicContact CG-CE2 4.08Å; F269-Y273 AromaticContact CD2-CD2 3.79Å; F269-Y273 HydrophobicContact CD2-CD2 3.79Å; F269-Y273 HydrophobicContact CD2-CE2 4.3Å; F269-Y273 HydrophobicContact CD2-CG 4.12Å; F269-Y273 HydrophobicContact CE2-CD2 4.22Å; F269-Y273 HydrophobicContact CE2-CG 4.1Å; F269-Y273 WeakPolarHBondContact O-CB 3.34Å; F269-Y273 WeakPolarHBondContact O-CD2 3.44Å; F269-Y273 PolarHBondContact O-N 3.27Å
274T98.3Very high98.3Very high29 Ų2958 Ų5818%0.17827%0.274CS..  trans-75.1139.8-174.5-58.50000112.9A118 T119 R122 I270A118-T274 PolarHBondContact O-OG1 2.9Å; T119-T274 HydrophobicContact CG2-CG2 4.1Å; R122-T274 HydrophobicContact CB-CG2 4.05Å; R122-T274 HydrophobicContact CG-CG2 4.42Å; I270-T274 WeakPolarHBondContact O-CB 3.45Å; I270-T274 PolarHBondContact O-N 3.38Å; I270-T274 PolarHBondContact O-OG1 2.93Å
275K98.3Very high98.3Very high98 Ų9862.7 Ų62.743%0.42630%0.299SS..  trans-107.6-173.2170.4-71.9-177.2-179.2171.70112.3T115 T119 R122 F279T115-K275 HydrophobicContact CG2-CB 4.44Å; T115-K275 HydrophobicContact CG2-CD 3.52Å; T115-K275 HydrophobicContact CG2-CG 3.7Å; T119-K275 PolarHBondContact OG1-N 2.76Å; R122-K275 PolarHBondContact NH1-O 3.43Å; R122-K275 PolarHBondContact NH2-O 3.48Å; R122-K275 VanDerWaalsContact NH2-O 3.09Å; K275-F279 HydrophobicContact CB-CB 3.93Å; K275-F279 HydrophobicContact CB-CD1 4.05Å; K275-F279 HydrophobicContact CB-CG 4.02Å; K275-F279 HydrophobicContact CD-CB 4.28Å; K275-F279 HydrophobicContact CD-CD1 3.56Å; K275-F279 HydrophobicContact CD-CD2 3.69Å; K275-F279 HydrophobicContact CD-CE1 3.72Å; K275-F279 HydrophobicContact CD-CE2 3.86Å; K275-F279 HydrophobicContact CD-CG 3.54Å; K275-F279 HydrophobicContact CD-CZ 3.89Å; K275-F279 HydrophobicContact CG-CD1 4.35Å; K275-F279 HydrophobicContact CG-CG 4.44Å
276K98.3Very high98.3Very high163 Ų16365 Ų6571%0.70931%0.305SS*.  trans-70150.3169.6-66.6-175.1178.6-178.20109.7S278 F279K276-S278 PolarHBondContact O-N 2.77Å; K276-F279 WeakPolarHBondContact O-CB 3.42Å; K276-F279 PolarHBondContact O-N 3.49Å
277T98.2Very high98.2Very high30 Ų3058.8 Ų58.818%0.18428%0.278CS..G310 helixtrans-57.5-32.8178.944.10000112.7E123 G152 F279 L280E123-T277 HydrophobicContact CG-CG2 3.8Å; G152-T277 VanDerWaalsContact O-CB 3.31Å; G152-T277 WeakPolarHBondContact O-CB 3.31Å; T277-F279 PolarHBondContact O-N 2.85Å; T277-L280 VanDerWaalsContact O-CB 3.28Å; T277-L280 WeakPolarHBondContact O-CB 3.46Å; T277-L280 WeakPolarHBondContact O-CG 3.36Å; T277-L280 PolarHBondContact O-N 3.32Å
278S98Very high98Very high67 Ų6761.1 Ų61.147%0.46929%0.288SS..G310 helixtrans-55.2-22.8172.766.20000114K276 L280 T281K276-S278 PolarHBondContact O-N 2.77Å; S278-L280 PolarHBondContact O-N 3.01Å; S278-T281 WeakPolarHBondContact O-CB 3.25Å; S278-T281 WeakPolarHBondContact O-CG2 3.44Å; S278-T281 PolarHBondContact O-N 2.75Å; S278-T281 PolarHBondContact O-OG1 3.28Å
279F97.7Very high98Very high29 Ų2965.6 Ų65.613%0.12730%0.302CS..G310 helixtrans-66.2-26.4173.9-175-112.1000112.4T115 Y116 K275 K276 T277 T281 E282T115-F279 HydrophobicContact CG2-CD1 4.11Å; T115-F279 HydrophobicContact CG2-CE1 3.58Å; T115-F279 HydrophobicContact CG2-CZ 4.31Å; Y116-F279 AromaticContact CD1-CD1 3.76Å; Y116-F279 HydrophobicContact CD1-CD1 3.76Å; Y116-F279 AromaticContact CD1-CE1 3.54Å; Y116-F279 HydrophobicContact CD1-CE1 3.54Å; Y116-F279 HydrophobicContact CD1-CZ 4.45Å; Y116-F279 HydrophobicContact CD2-CE1 4.39Å; Y116-F279 AromaticContact CE1-CD1 3.55Å; Y116-F279 HydrophobicContact CE1-CD1 3.55Å; Y116-F279 AromaticContact CE1-CE1 3.18Å; Y116-F279 HydrophobicContact CE1-CE1 3.18Å; Y116-F279 HydrophobicContact CE1-CE2 4.45Å; Y116-F279 HydrophobicContact CE1-CG 4.34Å; Y116-F279 AromaticContact CE1-CZ 3.69Å; Y116-F279 HydrophobicContact CE1-CZ 3.69Å; Y116-F279 HydrophobicContact CE2-CE1 4.1Å; Y116-F279 HydrophobicContact CE2-CZ 4.28Å; Y116-F279 HydrophobicContact CG-CE1 4.13Å; Y116-F279 AromaticContact CZ-CE1 3.5Å; Y116-F279 VanDerWaalsContact CZ-CE1 3.5Å; Y116-F279 AromaticContact CZ-CZ 3.59Å; K275-F279 HydrophobicContact CB-CB 3.93Å; K275-F279 HydrophobicContact CB-CD1 4.05Å; K275-F279 HydrophobicContact CB-CG 4.02Å; K275-F279 HydrophobicContact CD-CB 4.28Å; K275-F279 HydrophobicContact CD-CD1 3.56Å; K275-F279 HydrophobicContact CD-CD2 3.69Å; K275-F279 HydrophobicContact CD-CE1 3.72Å; K275-F279 HydrophobicContact CD-CE2 3.86Å; K275-F279 HydrophobicContact CD-CG 3.54Å; K275-F279 HydrophobicContact CD-CZ 3.89Å; K275-F279 HydrophobicContact CG-CD1 4.35Å; K275-F279 HydrophobicContact CG-CG 4.44Å; K276-F279 WeakPolarHBondContact O-CB 3.42Å; K276-F279 PolarHBondContact O-N 3.49Å; T277-F279 PolarHBondContact O-N 2.85Å; F279-T281 PolarHBondContact O-N 2.89Å; F279-E282 WeakPolarHBondContact CD2-OE1 3.46Å; F279-E282 WeakPolarHBondContact CE2-OE1 3.36Å; F279-E282 PolarHBondContact O-N 3.08Å
280L98.6Very high97.8Very high0 Ų068.2 Ų68.20%031%0.312CS..G310 helixtrans-70.9-15.1178.6-57.4-176.2000112.9Y116 T119 I120 L148 V154 T277 S278 E282 L283 I284Y116-L280 HydrophobicContact CD1-CD2 3.77Å; T119-L280 HydrophobicContact CG2-CD1 4.06Å; T119-L280 HydrophobicContact CG2-CD2 4.02Å; T119-L280 HydrophobicContact CG2-CG 4.01Å; I120-L280 HydrophobicContact CG1-CD1 3.87Å; I120-L280 HydrophobicContact CG1-CD2 4.14Å; L148-L280 HydrophobicContact CD2-CB 4.08Å; L148-L280 HydrophobicContact CD2-CD1 3.79Å; V154-L280 HydrophobicContact CG2-CD1 3.32Å; T277-L280 VanDerWaalsContact O-CB 3.28Å; T277-L280 WeakPolarHBondContact O-CB 3.46Å; T277-L280 WeakPolarHBondContact O-CG 3.36Å; T277-L280 PolarHBondContact O-N 3.32Å; S278-L280 PolarHBondContact O-N 3.01Å; L280-E282 PolarHBondContact O-N 3.27Å; L280-L283 WeakPolarHBondContact O-CB 3.36Å; L280-L283 PolarHBondContact O-N 3.11Å; L280-I284 PolarHBondContact O-N 3.33Å
281T98.3Very high97.6Very high41 Ų4173 Ų7325%0.25233%0.333SS..Hα-helixtrans-58.7-29.3174.160.30000112.4S278 F279 L283 I284 D285S278-T281 WeakPolarHBondContact O-CB 3.25Å; S278-T281 WeakPolarHBondContact O-CG2 3.44Å; S278-T281 PolarHBondContact O-N 2.75Å; S278-T281 PolarHBondContact O-OG1 3.28Å; F279-T281 PolarHBondContact O-N 2.89Å; T281-L283 VanDerWaalsContact C-N 3.3Å; T281-L283 PolarHBondContact O-N 3.36Å; T281-I284 PolarHBondContact O-N 3.31Å; T281-I284 VanDerWaalsContact O-N 3.14Å; T281-D285 WeakPolarHBondContact O-CB 3.43Å; T281-D285 PolarHBondContact O-N 3.03Å
282E98Very high97.3Very high103 Ų10373.4 Ų73.448%0.48134%0.34SS..Hα-helixtrans-60.9-37.5174.3-65.3-178.7-148.100112.3Y116 F279 L280 R286Y116-E282 HydrophobicContact CE1-CB 4.32Å; Y116-E282 WeakPolarHBondContact OH-CB 3.43Å; Y116-E282 PolarHBondContact OH-OE2 3.07Å; F279-E282 WeakPolarHBondContact CD2-OE1 3.46Å; F279-E282 WeakPolarHBondContact CE2-OE1 3.36Å; F279-E282 PolarHBondContact O-N 3.08Å; L280-E282 PolarHBondContact O-N 3.27Å; E282-R286 VanDerWaalsContact O-CB 3.27Å; E282-R286 WeakPolarHBondContact O-CB 3.38Å; E282-R286 PolarHBondContact O-N 3.17Å
283L98.1Very high97Very high3 Ų369.7 Ų69.72%0.01633%0.33CS..Hα-helixtrans-71.7-38.7174.7-66.4-178.2000111.9L106 L112 Y116 L280 T281 R286 Y287L106-L283 HydrophobicContact CD1-CB 4.04Å; L106-L283 HydrophobicContact CD1-CD1 4.24Å; L106-L283 HydrophobicContact CD2-CB 4.29Å; L112-L283 HydrophobicContact CD1-CD1 4.29Å; L112-L283 HydrophobicContact CD2-CD1 3.64Å; L112-L283 HydrophobicContact CD2-CD2 3.64Å; L112-L283 HydrophobicContact CD2-CG 4.27Å; Y116-L283 HydrophobicContact CD1-CD1 3.51Å; Y116-L283 HydrophobicContact CD1-CD2 4.12Å; Y116-L283 HydrophobicContact CD1-CG 3.53Å; Y116-L283 HydrophobicContact CD2-CD1 4.32Å; Y116-L283 HydrophobicContact CD2-CD2 4.03Å; Y116-L283 HydrophobicContact CD2-CG 4.32Å; Y116-L283 HydrophobicContact CE1-CD1 4.18Å; Y116-L283 HydrophobicContact CE1-CD2 4.09Å; Y116-L283 HydrophobicContact CE1-CG 3.66Å; Y116-L283 HydrophobicContact CE2-CD2 4Å; Y116-L283 HydrophobicContact CE2-CG 4.44Å; Y116-L283 HydrophobicContact CG-CD1 3.6Å; Y116-L283 HydrophobicContact CG-CD2 4.11Å; Y116-L283 HydrophobicContact CG-CG 3.9Å; L280-L283 WeakPolarHBondContact O-CB 3.36Å; L280-L283 PolarHBondContact O-N 3.11Å; T281-L283 VanDerWaalsContact C-N 3.3Å; T281-L283 PolarHBondContact O-N 3.36Å; L283-R286 WeakPolarHBondContact O-CB 3.27Å; L283-R286 PolarHBondContact O-N 2.92Å; L283-Y287 WeakPolarHBondContact O-CB 3.4Å; L283-Y287 PolarHBondContact O-N 2.6Å
284I98.1Very high96.5Very high2 Ų268.8 Ų68.81%0.0134%0.344CS..Hα-helixtrans-64.1-45.4178.5-63.1168.4000109.7L106 L148 S149 L280 T281 Y287 K288L106-I284 HydrophobicContact CD2-CG1 4.33Å; L148-I284 HydrophobicContact CB-CD1 4.35Å; S149-I284 WeakPolarHBondContact O-CD1 3.33Å; L280-I284 PolarHBondContact O-N 3.33Å; T281-I284 PolarHBondContact O-N 3.31Å; T281-I284 VanDerWaalsContact O-N 3.14Å; I284-Y287 PolarHBondContact O-N 2.87Å; I284-K288 HydrophobicContact CG2-CD 4.12Å; I284-K288 HydrophobicContact CG2-CG 4.46Å; I284-K288 WeakPolarHBondContact O-CB 3.3Å; I284-K288 WeakPolarHBondContact O-CG 3.3Å; I284-K288 PolarHBondContact O-N 3.32Å
285D98Very high95.8Very high100 Ų10072.5 Ų72.554%0.53536%0.359SS..Hα-helixtrans-64.9-40.9177.1-72.8-18.1000111.7T281 Y287 K288 R289T281-D285 WeakPolarHBondContact O-CB 3.43Å; T281-D285 PolarHBondContact O-N 3.03Å; D285-Y287 VanDerWaalsContact C-N 3.33Å; D285-Y287 PolarHBondContact O-N 3Å; D285-K288 PolarHBondContact O-N 3.47Å; D285-R289 WeakPolarHBondContact O-CB 3.41Å; D285-R289 PolarHBondContact O-N 2.93Å
286R97.5Very high94.1Very high88 Ų8868.8 Ų68.833%0.33235%0.349SS..Hα-helixtrans-58.2-44.5172.3176.5-177.5169.7-163-4.3111.5P109 G110 P111 E282 L283 R289 W290P109-R286 HydrophobicContact CB-CG 3.86Å; P109-R286 HydrophobicContact CG-CG 4.33Å; P109-R286 PolarHBondContact O-NH2 3.44Å; G110-R286 PolarHBondContact O-NH2 3.35Å; P111-R286 PolarHBondContact O-NH1 2.91Å; P111-R286 VanDerWaalsContact O-NH1 3.16Å; E282-R286 VanDerWaalsContact O-CB 3.27Å; E282-R286 WeakPolarHBondContact O-CB 3.38Å; E282-R286 PolarHBondContact O-N 3.17Å; L283-R286 WeakPolarHBondContact O-CB 3.27Å; L283-R286 PolarHBondContact O-N 2.92Å; R286-R289 PolarHBondContact O-N 3.16Å; R286-W290 WeakPolarHBondContact O-CB 3.1Å; R286-W290 PolarHBondContact O-N 2.91Å
287Y97.2Very high92.1Very high24 Ų2470.2 Ų70.29%0.09436%0.358CS..Hα-helixtrans-67.8-44.5177.6176.7-128.7000112.6D105 L106 K108 P109 L283 I284 D285 R289 W290 K291D105-Y287 HydrophobicContact CB-CD1 4.35Å; D105-Y287 HydrophobicContact CB-CE1 3.73Å; D105-Y287 HydrophobicContact CB-CE2 4.21Å; D105-Y287 PolarHBondContact OD1-OH 2.93Å; L106-Y287 HydrophobicContact CD2-CD1 4.25Å; L106-Y287 HydrophobicContact CD2-CG 4.28Å; K108-Y287 HydrophobicContact CD-CE2 4.14Å; P109-Y287 HydrophobicContact CG-CD2 3.98Å; L283-Y287 WeakPolarHBondContact O-CB 3.4Å; L283-Y287 PolarHBondContact O-N 2.6Å; I284-Y287 PolarHBondContact O-N 2.87Å; D285-Y287 VanDerWaalsContact C-N 3.33Å; D285-Y287 PolarHBondContact O-N 3Å; Y287-R289 VanDerWaalsContact C-N 3.27Å; Y287-R289 PolarHBondContact O-N 3.39Å; Y287-W290 AromaticContact CD2-CE3 3.95Å; Y287-W290 HydrophobicContact CD2-CE3 3.95Å; Y287-W290 AromaticContact CE2-CE3 3.81Å; Y287-W290 HydrophobicContact CE2-CE3 3.81Å; Y287-W290 AromaticContact CE2-CZ3 3.95Å; Y287-W290 HydrophobicContact CE2-CZ3 3.95Å; Y287-W290 PolarHBondContact O-N 3Å; Y287-K291 HydrophobicContact CD2-CG 4.2Å; Y287-K291 HydrophobicContact CE1-CD 3.96Å; Y287-K291 HydrophobicContact CE2-CD 3.89Å; Y287-K291 HydrophobicContact CE2-CG 3.72Å; Y287-K291 PolarHBondContact O-N 3.04Å
288K95.9Very high89.5Confident85 Ų8577.5 Ų77.537%0.3739%0.39SS..Hα-helixtrans-56.4-43.8174.5-75.9177.1174.2-175.80111.1E150 I284 D285 K291 S292E150-K288 IonicContact OE1-NZ 2.82Å; E150-K288 PolarHBondContact OE1-NZ 2.89Å; I284-K288 HydrophobicContact CG2-CD 4.12Å; I284-K288 HydrophobicContact CG2-CG 4.46Å; I284-K288 WeakPolarHBondContact O-CB 3.3Å; I284-K288 WeakPolarHBondContact O-CG 3.3Å; I284-K288 PolarHBondContact O-N 3.32Å; D285-K288 PolarHBondContact O-N 3.47Å; K288-K291 PolarHBondContact O-N 3.01Å; K288-S292 PolarHBondContact O-N 3.15Å
289R96.4Very high87Confident163 Ų16377.9 Ų77.962%0.61539%0.393SS*.Hα-helixtrans-62.2-50.2176-173.8177.5-17994.514111.9D285 R286 Y287 K291 S292 E293D285-R289 WeakPolarHBondContact O-CB 3.41Å; D285-R289 PolarHBondContact O-N 2.93Å; R286-R289 PolarHBondContact O-N 3.16Å; Y287-R289 VanDerWaalsContact C-N 3.27Å; Y287-R289 PolarHBondContact O-N 3.39Å; R289-K291 VanDerWaalsContact C-N 3.28Å; R289-K291 PolarHBondContact O-N 2.99Å; R289-S292 WeakPolarHBondContact CA-OG 3.48Å; R289-S292 PolarHBondContact O-N 3.01Å; R289-S292 PolarHBondContact O-OG 3.46Å; R289-E293 IonicContact CZ-OE1 2.66Å; R289-E293 IonicContact NE-OE1 2.81Å; R289-E293 PolarHBondContact NE-OE1 3.45Å; R289-E293 IonicContact NH2-OE1 2.89Å; R289-E293 PolarHBondContact NH2-OE1 3.3Å; R289-E293 WeakPolarHBondContact O-CG 3.45Å; R289-E293 PolarHBondContact O-N 3.14Å
290W96.1Very high84.4Confident56 Ų5680.5 Ų80.521%0.21242%0.415CS..Hα-helixtrans-55.8-41.6177.8179.186.5000112.2K108 P109 R286 Y287 E293 H295K108-W290 HydrophobicContact CB-CE3 4.47Å; K108-W290 HydrophobicContact CB-CH2 3.94Å; K108-W290 HydrophobicContact CB-CZ2 4.09Å; K108-W290 HydrophobicContact CB-CZ3 4.14Å; K108-W290 HydrophobicContact CD-CH2 4.14Å; K108-W290 HydrophobicContact CD-CZ3 4.13Å; P109-W290 HydrophobicContact CB-CB 4.01Å; P109-W290 HydrophobicContact CB-CG 3.98Å; P109-W290 HydrophobicContact CG-CB 3.79Å; P109-W290 HydrophobicContact CG-CD2 4.25Å; P109-W290 HydrophobicContact CG-CG 3.86Å; R286-W290 WeakPolarHBondContact O-CB 3.1Å; R286-W290 PolarHBondContact O-N 2.91Å; Y287-W290 AromaticContact CD2-CE3 3.95Å; Y287-W290 HydrophobicContact CD2-CE3 3.95Å; Y287-W290 AromaticContact CE2-CE3 3.81Å; Y287-W290 HydrophobicContact CE2-CE3 3.81Å; Y287-W290 AromaticContact CE2-CZ3 3.95Å; Y287-W290 HydrophobicContact CE2-CZ3 3.95Å; Y287-W290 PolarHBondContact O-N 3Å; W290-E293 PolarHBondContact O-N 3.02Å; W290-H295 AromaticContact CD1-CD2 3.64Å; W290-H295 HydrophobicContact CD2-CB 3.64Å; W290-H295 AromaticContact CE2-CG 3.89Å; W290-H295 HydrophobicContact CE3-CB 4.06Å; W290-H295 HydrophobicContact CG-CB 4.2Å; W290-H295 HydrophobicContact CH2-CB 3.82Å; W290-H295 WeakPolarHBondContact CH2-O 3.39Å; W290-H295 HydrophobicContact CZ2-CB 3.39Å; W290-H295 HydrophobicContact CZ3-CB 4.13Å; W290-H295 AromaticContact NE1-CD2 3.72Å; W290-H295 AromaticContact NE1-CG 3.66Å; W290-H295 WeakPolarHBondContact O-CB 3.31Å; W290-H295 PolarHBondContact O-CD2 3.43Å
291K93.6Very high81.4Confident104 Ų10485 Ų8545%0.45245%0.447SS..Iπ-helixtrans-64.4-44.2173.3-72.4-167.969167.10112.8Y287 K288 R289 E293 G294Y287-K291 HydrophobicContact CD2-CG 4.2Å; Y287-K291 HydrophobicContact CE1-CD 3.96Å; Y287-K291 HydrophobicContact CE2-CD 3.89Å; Y287-K291 HydrophobicContact CE2-CG 3.72Å; Y287-K291 PolarHBondContact O-N 3.04Å; K288-K291 PolarHBondContact O-N 3.01Å; R289-K291 VanDerWaalsContact C-N 3.28Å; R289-K291 PolarHBondContact O-N 2.99Å; K291-E293 PolarHBondContact O-N 3.13Å; K291-G294 PolarHBondContact O-N 3.4Å; K291-G294 VanDerWaalsContact O-N 3.07Å
292S91.9Very high78.2Confident97 Ų9791.6 Ų91.668%0.67847%0.474SS*.Iπ-helixtrans-66.3-23.3-178.770.90000113.8K288 R289 G294K288-S292 PolarHBondContact O-N 3.15Å; R289-S292 WeakPolarHBondContact CA-OG 3.48Å; R289-S292 PolarHBondContact O-N 3.01Å; R289-S292 PolarHBondContact O-OG 3.46Å; S292-G294 PolarHBondContact O-N 3.4Å
293E93.2Very high75.4Confident103 Ų10391.9 Ų91.948%0.48148%0.479SS..Iπ-helixtrans-79.53175-70.3171173.700112.5R289 W290 K291R289-E293 IonicContact CZ-OE1 2.66Å; R289-E293 IonicContact NE-OE1 2.81Å; R289-E293 PolarHBondContact NE-OE1 3.45Å; R289-E293 IonicContact NH2-OE1 2.89Å; R289-E293 PolarHBondContact NH2-OE1 3.3Å; R289-E293 WeakPolarHBondContact O-CG 3.45Å; R289-E293 PolarHBondContact O-N 3.14Å; W290-E293 PolarHBondContact O-N 3.02Å; K291-E293 PolarHBondContact O-N 3.13Å
294G87.2Confident72.4Confident59 Ų5996 Ų9661%0.60851%0.508SS*.Iπ-helixtrans95.54172.900000114.9K291 S292 G296K291-G294 PolarHBondContact O-N 3.4Å; K291-G294 VanDerWaalsContact O-N 3.07Å; S292-G294 PolarHBondContact O-N 3.4Å; G294-G296 PolarHBondContact O-N 2.82Å
295H82.5Confident69.3Low107 Ų107101.2 Ų101.250%0.49554%0.536SS..Iπ-helixtrans-77.3-2.3-179.5-60.7-66.6000114.4W290W290-H295 AromaticContact CD1-CD2 3.64Å; W290-H295 HydrophobicContact CD2-CB 3.64Å; W290-H295 AromaticContact CE2-CG 3.89Å; W290-H295 HydrophobicContact CE3-CB 4.06Å; W290-H295 HydrophobicContact CG-CB 4.2Å; W290-H295 HydrophobicContact CH2-CB 3.82Å; W290-H295 WeakPolarHBondContact CH2-O 3.39Å; W290-H295 HydrophobicContact CZ2-CB 3.39Å; W290-H295 HydrophobicContact CZ3-CB 4.13Å; W290-H295 AromaticContact NE1-CD2 3.72Å; W290-H295 AromaticContact NE1-CG 3.66Å; W290-H295 WeakPolarHBondContact O-CB 3.31Å; W290-H295 PolarHBondContact O-CD2 3.43Å
296G64.1Low66.2Low21 Ų21101.7 Ų101.722%0.21654%0.538CS..THydrogen-bonded Turntrans-101.4-8.2-164.500000118G294 E298G294-G296 PolarHBondContact O-N 2.82Å; G296-E298 PolarHBondContact O-N 3.26Å
297E54.6Low63.2Low192 Ų192104.2 Ų104.290%0.89756%0.558SS**THydrogen-bonded Turntrans-83.6-3.2-170.7-69.3-165.9173.200115.3
298E44.8Very low59.9Low183 Ų183106 Ų10686%0.85558%0.583SS**THydrogen-bonded Turntrans-98.7-2.5-179.5-70.2-178.1167.100114.7G296 S300G296-E298 PolarHBondContact O-N 3.26Å; E298-S300 PolarHBondContact O-N 2.74Å
299S45.8Very low56.6Low75 Ų75110.6 Ų110.652%0.52461%0.606SS.*THydrogen-bonded Turntrans-97.436.7-167.2-175.80000116K108K108-S299 PolarHBondContact NZ-OG 3.34Å
300S41.6Very low53.6Low84 Ų84107.5 Ų107.559%0.58762%0.615SS**THydrogen-bonded Turntrans-117.39.9172.574.80000116R25 E298R25-S300 PolarHBondContact NH2-O 2.74Å; E298-S300 PolarHBondContact O-N 2.74Å
301S36.2Very low50.3Low95 Ų95113.9 Ų113.966%0.66465%0.647SS**SBendtrans-129.85.1-173.856.90000117.2
302E31Very low47.4Very low179 Ų179117.3 Ų117.384%0.83667%0.67SS**  trans-115.248.9178.9-64.7-170.717300112.8
303D40.3Very low44.6Very low110 Ų110115.6 Ų115.659%0.58867%0.668SS**  trans-97.989.1134.7-77.4-43.7000104.3D305D303-D305 VanDerWaalsContact C-N 3.29Å; D303-D305 PolarHBondContact O-N 3.01Å
304S34.1Very low41.7Very low89 Ų89120 Ų12062%0.62269%0.689SS**  trans-58.6102.4163.753.70000106.1I306S304-I306 PolarHBondContact O-N 3.18Å
305D33.3Very low38.9Very low111 Ų111127 Ų12759%0.59471%0.705SS**  trans-52.8102.8149.4-59.7-35.6000103.6K28 D303 D307K28-D305 IonicContact NZ-OD1 3.72Å; K28-D305 PolarHBondContact NZ-OD1 2.65Å; K28-D305 IonicContact NZ-OD2 3.84Å; K28-D305 PolarHBondContact NZ-OD2 2.78Å; D303-D305 VanDerWaalsContact C-N 3.29Å; D303-D305 PolarHBondContact O-N 3.01Å; D305-D307 PolarHBondContact O-N 3.17Å
306I33.7Very low36.5Very low110 Ų110124.4 Ų124.456%0.56471%0.708SS**  trans-73.566.7174.1-63.3165.6000105.7S304 G308S304-I306 PolarHBondContact O-N 3.18Å; I306-G308 PolarHBondContact O-N 3.46Å
307D32.8Very low34.8Very low142 Ų142128.4 Ų128.476%0.75973%0.73SS**  trans-91.751.7150.5-72.3-28.2000106.8D305 E309D305-D307 PolarHBondContact O-N 3.17Å; D307-E309 VanDerWaalsContact C-N 3.26Å; D307-E309 PolarHBondContact O-N 3.02Å
308G28.6Very low33.7Very low60 Ų60126.5 Ų126.562%0.61973%0.725SS**  trans-72.191.5163.200000107I306 A310I306-G308 PolarHBondContact O-N 3.46Å; G308-A310 PolarHBondContact O-N 3.11Å; G308-A310 VanDerWaalsContact O-N 3.09Å
309E27.2Very low33Very low183 Ų183129 Ų12986%0.85573%0.727SS**  trans-42.1120.1153.9-67.8-173.5163.600106.7D307 E311D307-E309 VanDerWaalsContact C-N 3.26Å; D307-E309 PolarHBondContact O-N 3.02Å; E309-E311 VanDerWaalsContact C-N 3.32Å; E309-E311 PolarHBondContact O-N 3.07Å
310A32.7Very low32.1Very low98 Ų98131 Ų13181%0.8174%0.736SS**  trans-59.399179.400000108.1G308 D312G308-A310 PolarHBondContact O-N 3.11Å; G308-A310 VanDerWaalsContact O-N 3.09Å; A310-D312 PolarHBondContact O-N 2.98Å
311E27.5Very low31.4Very low189 Ų189136.2 Ų136.288%0.88375%0.748SS**  trans-61.9108162.5-85.5-165.5157.900106.6E309 G313E309-E311 VanDerWaalsContact C-N 3.32Å; E309-E311 PolarHBondContact O-N 3.07Å; E311-G313 VanDerWaalsContact C-N 3.31Å; E311-G313 PolarHBondContact O-N 2.75Å
312D33.2Very low31.1Very low176 Ų176137.3 Ų137.394%0.94175%0.753SS**SBendtrans-58.588.5178.3-158.115.3000108.7A310A310-D312 PolarHBondContact O-N 2.98Å
313G31.5Very low31Very low61 Ų61134.6 Ų134.663%0.62975%0.751SS**  trans-165.114.4-162.400000118.1E311E311-G313 VanDerWaalsContact C-N 3.31Å; E311-G313 PolarHBondContact O-N 2.75Å
314E32.6Very low30.4Very low195 Ų195135.7 Ų135.791%0.91176%0.762SS**  trans-159.2116157.7-114174.1-151.500110.4G316E314-G316 PolarHBondContact O-N 3.04Å
315Q29Very low30.1Very low206 Ų206139 Ų13996%0.96377%0.771SS**  trans-66.875.3179.9-71.5164.9-4.100110.6
316G31Very low29.8Very low54 Ų54144.6 Ų144.656%0.55778%0.783SS**  trans-70.3144.4161.400000110E314 I318E314-G316 PolarHBondContact O-N 3.04Å; G316-I318 PolarHBondContact O-N 3.06Å
317P29.3Very low29.5Very low104 Ų104145.2 Ų145.268%0.67580%0.795SS**  trans-60.9124.3-167.622.9-31.6000111.5W319P317-W319 PolarHBondContact O-N 3.03Å
318I30.9Very low29.2Very low152 Ų152143.8 Ų143.878%0.77980%0.796SS**  trans-51.1110.5169.2-71171.3000108G316 T320G316-I318 PolarHBondContact O-N 3.06Å; I318-T320 VanDerWaalsContact C-N 3.29Å; I318-T320 HydrophobicContact CG2-CG2 4.2Å; I318-T320 PolarHBondContact O-N 3Å
319W31.4Very low29.3Very low237 Ų237146.1 Ų146.190%0.89880%0.8SS**  trans-71.884.4176.3-70.595.5000109.7P317 F321P317-W319 PolarHBondContact O-N 3.03Å; W319-F321 PolarHBondContact O-N 3.47Å
320T26.2Very low29.3Very low117 Ų117146 Ų14672%0.71880%0.799SS**PPolyproline II helixtrans-75.3116.5163.242.20000109.1I318I318-T320 VanDerWaalsContact C-N 3.29Å; I318-T320 HydrophobicContact CG2-CG2 4.2Å; I318-T320 PolarHBondContact O-N 3Å
321F27.6Very low29.1Very low192 Ų192146.4 Ų146.484%0.84280%0.796SS**PPolyproline II helixtrans-51.7126.7165.1-67.8-89.3000109.1W319W319-F321 PolarHBondContact O-N 3.47Å
322P28.7Very low29Very low119 Ų119146.3 Ų146.377%0.77379%0.793SS**PPolyproline II helixtrans-61.5127.4178.723.5-30.6000108.8T324P322-T324 PolarHBondContact O-N 2.94Å
323P28.5Very low28.5Very low122 Ų122145.5 Ų145.579%0.79279%0.788SS**PPolyproline II helixtrans-66.8138.4-18025.9-31.4000110I325P323-I325 PolarHBondContact O-N 2.99Å
324T28.6Very low28.4Very low132 Ų132151.3 Ų151.381%0.8180%0.798SS**  trans-32.7120176.3-490000112.3P322 R326P322-T324 PolarHBondContact O-N 2.94Å; T324-R326 PolarHBondContact O-N 3.42Å
325I28.1Very low27.9Very low158 Ų158151.3 Ų151.381%0.8180%0.795SS**  trans-52.5104.6175.8-62.8172000108.2P323P323-I325 PolarHBondContact O-N 2.99Å
326R26Very low27.8Very low229 Ų229144.6 Ų144.686%0.86478%0.781SS**  trans-70.1125.5168.6-70.8-176.7-179.4-178.60.6107.4T324 S328T324-R326 PolarHBondContact O-N 3.42Å; R326-S328 PolarHBondContact O-N 2.67Å; R326-S328 VanDerWaalsContact O-N 3.16Å
327P27.8Very low27.5Very low123 Ų123148.8 Ų148.880%0.79980%0.796SS**  trans-72.7112-177.627.7-31.2000109.5
328S27.1Very low27.3Very low113 Ų113148.6 Ų148.679%0.7980%0.803SS**  trans-72.2134.9168.744.90000110.3R326R326-S328 PolarHBondContact O-N 2.67Å; R326-S328 VanDerWaalsContact O-N 3.16Å
329P30.6Very low27.1Very low108 Ų108149.6 Ų149.670%0.70181%0.809SS**  trans-86.9153.8-173.935.8-34000111.8
330H27.6Very low26.8Very low180 Ų180146.8 Ų146.883%0.83381%0.806SS**  trans66.3110166.1-67.5-72.1000118.1
331S27.5Very low26.9Very low108 Ų108146.3 Ų146.376%0.75581%0.807SS**  166.8132.491.4530000113.9
332K25.8Very low26.8Very low186 Ų186142.5 Ų142.581%0.80981%0.805SS**  trans55.990.2138.9-61-179.2-178.6178.10119.2H334K332-H334 PolarHBondContact O-N 3.18Å
333L23.3Very low26.8Very low160 Ų160145.6 Ų145.684%0.83881%0.808SS**  1.6102.7124.7-16575.4000115.5
334H28.4Very low26.7Very low182 Ų182149.4 Ų149.484%0.84381%0.813SS**  trans-119121.8156.4-95.4-75.5000110.3K332K332-H334 PolarHBondContact O-N 3.18Å
335K22.9Very low26.6Very low196 Ų196148.8 Ų148.885%0.85281%0.811SS**  trans-66.7134174.7-70.3169.8171.7175.40109.7
336G25.7Very low26.7Very low64 Ų64145.7 Ų145.766%0.6681%0.809SS**  trans-156.788.2169.800000112.3
337T25.5Very low26.7Very low143 Ų143143.1 Ų143.188%0.87781%0.807SS**  trans62.1118.4137.443.90000121.4
338A24.2Very low26.8Very low100 Ų100142.8 Ų142.883%0.82680%0.804SS**  trans-48.7129.4165.500000113.6
339L27.9Very low27Very low172 Ų172143.7 Ų143.790%0.90181%0.805SS**  trans-122.4116.5152.3-90.7158.6000107.8S341L339-S341 PolarHBondContact O-N 2.95Å
340H24.3Very low26.9Very low178 Ų178148 Ų14882%0.82481%0.813SS**  trans-49.8124.2168.6-106.1-80.1000110.8
341S28.6Very low27.3Very low107 Ų107150.2 Ų150.275%0.74881%0.814SS**  trans-149.9122.1138.2590000109.3L339 Q343L339-S341 PolarHBondContact O-N 2.95Å; S341-Q343 PolarHBondContact O-N 3.16Å
342S24.9Very low28.2Very low113 Ų113151.7 Ų151.779%0.7981%0.809SS**  trans-75.4100.9-180-53.30000109
343Q28.8Very low29.2Very low183 Ų183148.7 Ų148.786%0.85581%0.808SS**  trans-112.4119.7157.2-75.9-172-1700108.2S341S341-Q343 PolarHBondContact O-N 3.16Å
344K26.8Very low30.9Very low203 Ų203151.5 Ų151.588%0.88381%0.808SS**PPolyproline II helixtrans-55.2145.6174.4-90.7-179.6175.71780109.8A346K344-A346 PolarHBondContact O-N 3.34Å
345P27.5Very low33Very low118 Ų118143 Ų14377%0.76677%0.769SS**PPolyproline II helixtrans-67.8123.1-159.526.7-33.6000110.8E347P345-E347 PolarHBondContact O-N 3.44Å
346A28.6Very low35.6Very low94 Ų94141 Ų14178%0.77776%0.762SS**PPolyproline II helixtrans-57.6123.7155.200000107K344K344-A346 PolarHBondContact O-N 3.34Å
347E26.3Very low38.3Very low175 Ų175138.4 Ų138.482%0.81873%0.734SS**PPolyproline II helixtrans-50.5134.2171.8-73.3-175153.400109P345 V349P345-E347 PolarHBondContact O-N 3.44Å; E347-V349 PolarHBondContact O-N 3.2Å
348P30.6Very low41Very low115 Ų115132.5 Ų132.575%0.74770%0.697SS**PPolyproline II helixtrans-60.3118.4-175.723.3-31000108.4K350P348-K350 PolarHBondContact O-N 3.11Å
349V30.9Very low43.7Very low133 Ų133131 Ų13181%0.80668%0.681SS**  trans-43.9109.5165.2175.60000106.1E347 R351E347-V349 PolarHBondContact O-N 3.2Å; V349-R351 PolarHBondContact O-N 3.28Å
350K28.4Very low46.4Very low197 Ų197126.9 Ų126.986%0.85766%0.663SS**  trans-58.896.4175.4-77.3179.9178.5175.40105.8P348 Q352P348-K350 PolarHBondContact O-N 3.11Å; K350-Q352 PolarHBondContact O-N 3.47Å
351R37.2Very low49.3Very low227 Ų227122.8 Ų122.886%0.85765%0.647SS**  trans-53.5112.5169.6-72.7-178.3177-175.8-2105.2V349V349-R351 PolarHBondContact O-N 3.28Å
352Q46.3Very low52.1Low140 Ų140118 Ų11865%0.65461%0.613SS**PPolyproline II helixtrans-51.3137.9170.7-83.1174.2-51.500107.5K350 R354K350-Q352 PolarHBondContact O-N 3.47Å; Q352-R354 PolarHBondContact O-N 3.49Å; Q352-R354 VanDerWaalsContact O-N 3.11Å
353P46.2Very low55.2Low123 Ų123119.2 Ų119.280%0.79960%0.6SS**PPolyproline II helixtrans-57.9125.1-177.323.2-31000108S355P353-S355 PolarHBondContact O-N 2.97Å
354R59.8Low58.1Low218 Ų218113.1 Ų113.182%0.82358%0.577SS**PPolyproline II helixtrans-49139.6173.7-75.5177168.6162.9-5.8108.7Q352 Q356Q352-R354 PolarHBondContact O-N 3.49Å; Q352-R354 VanDerWaalsContact O-N 3.11Å; R354-Q356 PolarHBondContact O-N 3.3Å; R354-Q356 VanDerWaalsContact O-N 3.08Å
355S72.7Confident61.2Low4 Ų4106.9 Ų106.93%0.02856%0.555CS.*  trans-42.3120173.1158.30000109.9P353 C357 L358 E394 D402P353-S355 PolarHBondContact O-N 2.97Å; S355-C357 PolarHBondContact O-N 2.67Å; S355-C357 WeakPolarHBondContact OG-CB 3.5Å; S355-C357 PolarHBondContact OG-N 2.77Å; S355-L358 PolarHBondContact O-N 3.23Å; S355-L358 PolarHBondContact OG-N 3.3Å; S355-E394 VanDerWaalsContact CB-CD 3.49Å; S355-E394 WeakPolarHBondContact CB-OE1 3.44Å; S355-E394 PolarHBondContact N-OE1 3.03Å; S355-D402 WeakPolarHBondContact CA-OD2 3.3Å; S355-D402 WeakPolarHBondContact CB-OD1 3.26Å; S355-D402 WeakPolarHBondContact CB-OD2 3.49Å; S355-D402 VanDerWaalsContact OG-CG 3.24Å; S355-D402 PolarHBondContact OG-OD1 2.91Å; S355-D402 PolarHBondContact OG-OD2 3.47Å
356Q77.1Confident64.2Low153 Ų153101.9 Ų101.972%0.71552%0.522SS*.Hα-helixtrans-60.5-39.2175.8-73-174.7-6.100109.1R354 L358 S359 T360R354-Q356 PolarHBondContact O-N 3.3Å; R354-Q356 VanDerWaalsContact O-N 3.08Å; Q356-L358 VanDerWaalsContact C-N 3.35Å; Q356-L358 PolarHBondContact O-N 3.2Å; Q356-S359 PolarHBondContact O-N 2.96Å; Q356-S359 VanDerWaalsContact O-N 3.11Å; Q356-S359 PolarHBondContact O-OG 3.45Å; Q356-T360 WeakPolarHBondContact O-CG2 3.34Å; Q356-T360 PolarHBondContact O-N 3.37Å; Q356-T360 PolarHBondContact O-OG1 3.23Å
357C82.5Confident67.1Low10 Ų1099 Ų997%0.06850%0.501CS..Hα-helixtrans-60.5-37.6-176.8-172.80000114S355 S359 T360 L361 V362 D402 M405S355-C357 PolarHBondContact O-N 2.67Å; S355-C357 WeakPolarHBondContact OG-CB 3.5Å; S355-C357 PolarHBondContact OG-N 2.77Å; C357-S359 PolarHBondContact O-N 3.04Å; C357-T360 WeakPolarHBondContact CA-OG1 3.26Å; C357-T360 PolarHBondContact O-N 2.75Å; C357-L361 WeakPolarHBondContact O-CA 3.47Å; C357-L361 WeakPolarHBondContact O-CB 3.43Å; C357-L361 PolarHBondContact O-N 3.21Å; C357-L361 VanDerWaalsContact SG-CD1 3.57Å; C357-V362 PolarHBondContact O-N 3.47Å; C357-D402 WeakPolarHBondContact CB-OD1 3.42Å; C357-D402 PolarHBondContact N-OD1 3.46Å; C357-M405 WeakPolarHBondContact SG-CG 3.42Å
358L81.1Confident70.2Confident19 Ų1997.4 Ų97.410%0.09949%0.493CS..Iπ-helixtrans-55.8-43.9175.3-80.9176.9000112S355 Q356 V362 R363 F390 E394S355-L358 PolarHBondContact O-N 3.23Å; S355-L358 PolarHBondContact OG-N 3.3Å; Q356-L358 VanDerWaalsContact C-N 3.35Å; Q356-L358 PolarHBondContact O-N 3.2Å; L358-V362 HydrophobicContact CD2-CB 4.14Å; L358-V362 HydrophobicContact CD2-CG1 4.19Å; L358-V362 HydrophobicContact CD2-CG2 4.13Å; L358-R363 WeakPolarHBondContact O-CB 3.32Å; L358-R363 VanDerWaalsContact O-CG 3.3Å; L358-R363 WeakPolarHBondContact O-CG 3.03Å; L358-R363 PolarHBondContact O-N 3.44Å; L358-F390 HydrophobicContact CD2-CB 3.83Å; L358-F390 HydrophobicContact CD2-CD1 4.35Å; L358-E394 HydrophobicContact CD1-CB 3.6Å; L358-E394 HydrophobicContact CD1-CG 3.47Å; L358-E394 VanDerWaalsContact CD1-CG 3.47Å
359S81Confident73Confident69 Ų6995.8 Ų95.848%0.48348%0.478SS..Iπ-helixtrans-81.5-34.1-178.3650000113.8Q356 C357Q356-S359 PolarHBondContact O-N 2.96Å; Q356-S359 VanDerWaalsContact O-N 3.11Å; Q356-S359 PolarHBondContact O-OG 3.45Å; C357-S359 PolarHBondContact O-N 3.04Å
360T84.5Confident75.9Confident85 Ų8590.7 Ų90.752%0.52145%0.445SS..Iπ-helixtrans-94.2-23.9-172.558.30000114Q356 C357Q356-T360 WeakPolarHBondContact O-CG2 3.34Å; Q356-T360 PolarHBondContact O-N 3.37Å; Q356-T360 PolarHBondContact O-OG1 3.23Å; C357-T360 WeakPolarHBondContact CA-OG1 3.26Å; C357-T360 PolarHBondContact O-N 2.75Å
361L86.3Confident78.7Confident93 Ų9386 Ų8649%0.48743%0.426SS..Iπ-helixtrans-126-56.6-175.3-70.5172.9000112.2C357 P364 V365C357-L361 WeakPolarHBondContact O-CA 3.47Å; C357-L361 WeakPolarHBondContact O-CB 3.43Å; C357-L361 PolarHBondContact O-N 3.21Å; C357-L361 VanDerWaalsContact SG-CD1 3.57Å; L361-P364 WeakPolarHBondContact O-CD 3.37Å; L361-V365 WeakPolarHBondContact O-CB 3.32Å; L361-V365 WeakPolarHBondContact O-CG2 3.1Å; L361-V365 PolarHBondContact O-N 3.09Å
362V87Confident81.2Confident7 Ų782.1 Ų82.14%0.04242%0.415CS..Iπ-helixtrans-62.1-56-171.2-1790000111C357 L358 V365 F366 F390 M405C357-V362 PolarHBondContact O-N 3.47Å; L358-V362 HydrophobicContact CD2-CB 4.14Å; L358-V362 HydrophobicContact CD2-CG1 4.19Å; L358-V362 HydrophobicContact CD2-CG2 4.13Å; V362-V365 PolarHBondContact O-N 3.1Å; V362-F366 HydrophobicContact CG1-CD2 3.66Å; V362-F366 HydrophobicContact CG1-CE2 3.68Å; V362-F366 VanDerWaalsContact O-CD2 3.26Å; V362-F366 WeakPolarHBondContact O-CD2 3.16Å; V362-F366 PolarHBondContact O-N 3.07Å; V362-F390 HydrophobicContact CG1-CB 4.12Å; V362-F390 HydrophobicContact CG1-CD1 4.05Å; V362-F390 HydrophobicContact CG1-CD2 4.02Å; V362-F390 HydrophobicContact CG1-CE1 4.47Å; V362-F390 HydrophobicContact CG1-CE2 4.48Å; V362-F390 HydrophobicContact CG1-CG 3.81Å; V362-F390 HydrophobicContact CG2-CD1 4.28Å; V362-F390 HydrophobicContact CG2-CE1 4.38Å; V362-M405 HydrophobicContact CG2-CE 3.98Å
363R89.5Confident83.1Confident137 Ų13779.5 Ų79.552%0.51740%0.403SS..Hα-helixtrans-59.8-47.8-179.4-72.9179.1177.5175.3-0.6113.5L358 V365 F366 G367 E387L358-R363 WeakPolarHBondContact O-CB 3.32Å; L358-R363 VanDerWaalsContact O-CG 3.3Å; L358-R363 WeakPolarHBondContact O-CG 3.03Å; L358-R363 PolarHBondContact O-N 3.44Å; R363-V365 PolarHBondContact O-N 3.36Å; R363-F366 PolarHBondContact O-N 3.49Å; R363-G367 PolarHBondContact O-N 3.29Å; R363-E387 WeakPolarHBondContact CG-OE1 3.37Å
364P90Very high84.9Confident56 Ų5678.9 Ų78.936%0.36439%0.388SS..Hα-helixtrans-57.7-45.3174.8-28.736.9000113.7L361 F366 G367 E368L361-P364 WeakPolarHBondContact O-CD 3.37Å; P364-F366 PolarHBondContact O-N 3.15Å; P364-G367 WeakPolarHBondContact O-CA 3.26Å; P364-G367 PolarHBondContact O-N 2.94Å; P364-G367 VanDerWaalsContact O-N 3.11Å; P364-E368 PolarHBondContact O-N 3.18Å
365V91.3Very high86Confident71 Ų7176.1 Ų76.143%0.4338%0.384SS..Hα-helixtrans-62.2-44.2179.5169.10000111.3L361 V362 R363 G367 E368 L369L361-V365 WeakPolarHBondContact O-CB 3.32Å; L361-V365 WeakPolarHBondContact O-CG2 3.1Å; L361-V365 PolarHBondContact O-N 3.09Å; V362-V365 PolarHBondContact O-N 3.1Å; R363-V365 PolarHBondContact O-N 3.36Å; V365-G367 VanDerWaalsContact C-N 3.32Å; V365-G367 PolarHBondContact O-N 3.26Å; V365-E368 PolarHBondContact O-N 3.09Å; V365-L369 HydrophobicContact CG1-CD1 3.9Å; V365-L369 HydrophobicContact CG1-CG 4.38Å; V365-L369 WeakPolarHBondContact O-CB 3.17Å; V365-L369 VanDerWaalsContact O-CG 3.29Å; V365-L369 WeakPolarHBondContact O-CG 3.39Å; V365-L369 PolarHBondContact O-N 2.86Å
366F91.9Very high86.6Confident14 Ų1480.4 Ų80.46%0.06141%0.414CS..Hα-helixtrans-63.4-38.4174-84.4-72.7000112.1V362 R363 P364 L369 K370 L383 L386 E387 F390V362-F366 HydrophobicContact CG1-CD2 3.66Å; V362-F366 HydrophobicContact CG1-CE2 3.68Å; V362-F366 VanDerWaalsContact O-CD2 3.26Å; V362-F366 WeakPolarHBondContact O-CD2 3.16Å; V362-F366 PolarHBondContact O-N 3.07Å; R363-F366 PolarHBondContact O-N 3.49Å; P364-F366 PolarHBondContact O-N 3.15Å; F366-L369 PolarHBondContact O-N 2.94Å; F366-K370 VanDerWaalsContact O-CB 3.3Å; F366-K370 WeakPolarHBondContact O-CB 3.02Å; F366-K370 WeakPolarHBondContact O-CD 3.45Å; F366-K370 WeakPolarHBondContact O-CG 3.39Å; F366-K370 PolarHBondContact O-N 3.34Å; F366-L383 HydrophobicContact CD1-CB 4.32Å; F366-L383 HydrophobicContact CD1-CD2 4.23Å; F366-L383 WeakPolarHBondContact CD1-O 2.88Å; F366-L383 HydrophobicContact CE1-CD2 4.18Å; F366-L386 HydrophobicContact CE1-CB 3.86Å; F366-L386 HydrophobicContact CE1-CD2 3.79Å; F366-L386 HydrophobicContact CE1-CG 3.93Å; F366-L386 HydrophobicContact CZ-CB 3.98Å; F366-L386 HydrophobicContact CZ-CD2 3.63Å; F366-L386 HydrophobicContact CZ-CG 3.61Å; F366-E387 HydrophobicContact CB-CB 4.33Å; F366-E387 HydrophobicContact CB-CG 4.29Å; F366-E387 HydrophobicContact CD1-CB 4.16Å; F366-E387 HydrophobicContact CD2-CB 4.03Å; F366-E387 HydrophobicContact CD2-CG 4.15Å; F366-E387 HydrophobicContact CE2-CB 4.45Å; F366-E387 HydrophobicContact CG-CB 3.91Å; F366-E387 HydrophobicContact CG-CG 4.22Å; F366-F390 AromaticContact CE2-CD2 3.78Å; F366-F390 HydrophobicContact CE2-CD2 3.78Å; F366-F390 AromaticContact CE2-CE2 3.78Å; F366-F390 HydrophobicContact CE2-CE2 3.78Å; F366-F390 HydrophobicContact CZ-CD2 4.16Å; F366-F390 AromaticContact CZ-CE2 3.97Å; F366-F390 HydrophobicContact CZ-CE2 3.97Å
367G88.9Confident86.6Confident33 Ų3376.6 Ų76.634%0.3442%0.416SS..Hα-helixtrans-58.1-50.2173.700000112.6R363 P364 V365 K370 E371R363-G367 PolarHBondContact O-N 3.29Å; P364-G367 WeakPolarHBondContact O-CA 3.26Å; P364-G367 PolarHBondContact O-N 2.94Å; P364-G367 VanDerWaalsContact O-N 3.11Å; V365-G367 VanDerWaalsContact C-N 3.32Å; V365-G367 PolarHBondContact O-N 3.26Å; G367-K370 PolarHBondContact O-N 2.84Å; G367-E371 PolarHBondContact O-N 3.38Å
368E90.5Very high86.4Confident142 Ų14277.2 Ų77.266%0.66442%0.424SS*.Hα-helixtrans-63.2-44.1177.8-70.8177.5-162.300112.3P364 V365 K370 E371 K372P364-E368 PolarHBondContact O-N 3.18Å; V365-E368 PolarHBondContact O-N 3.09Å; E368-K370 VanDerWaalsContact C-N 3.33Å; E368-K370 PolarHBondContact O-N 3.42Å; E368-E371 PolarHBondContact O-N 3.46Å; E368-K372 WeakPolarHBondContact O-CB 3.45Å; E368-K372 PolarHBondContact O-N 3.06Å
369L89.5Confident86.4Confident80 Ų8081 Ų8142%0.41945%0.452SS..Hα-helixtrans-61.7-41.7176.9-75.4173.7000111.6V365 F366 K372 H373 L383V365-L369 HydrophobicContact CG1-CD1 3.9Å; V365-L369 HydrophobicContact CG1-CG 4.38Å; V365-L369 WeakPolarHBondContact O-CB 3.17Å; V365-L369 VanDerWaalsContact O-CG 3.29Å; V365-L369 WeakPolarHBondContact O-CG 3.39Å; V365-L369 PolarHBondContact O-N 2.86Å; F366-L369 PolarHBondContact O-N 2.94Å; L369-K372 PolarHBondContact O-N 2.56Å; L369-H373 VanDerWaalsContact O-CB 3.23Å; L369-H373 WeakPolarHBondContact O-CB 2.98Å; L369-H373 PolarHBondContact O-N 3.41Å; L369-L383 HydrophobicContact CB-CD1 4.24Å; L369-L383 HydrophobicContact CB-CD2 4.35Å; L369-L383 HydrophobicContact CD1-CD2 4.5Å
370K91.2Very high86.6Confident27 Ų2778.8 Ų78.812%0.11744%0.436CS..Hα-helixtrans-63.4-44.9177.3-75.8170.7-175.9-177.40111.4F366 G367 E368 H373 K374 V380 L383 E384 E387F366-K370 VanDerWaalsContact O-CB 3.3Å; F366-K370 WeakPolarHBondContact O-CB 3.02Å; F366-K370 WeakPolarHBondContact O-CD 3.45Å; F366-K370 WeakPolarHBondContact O-CG 3.39Å; F366-K370 PolarHBondContact O-N 3.34Å; G367-K370 PolarHBondContact O-N 2.84Å; E368-K370 VanDerWaalsContact C-N 3.33Å; E368-K370 PolarHBondContact O-N 3.42Å; K370-H373 PolarHBondContact O-N 3.41Å; K370-K374 WeakPolarHBondContact O-CB 3.19Å; K370-K374 VanDerWaalsContact O-CG 3.31Å; K370-K374 WeakPolarHBondContact O-CG 3.08Å; K370-K374 PolarHBondContact O-N 3.3Å; K370-V380 HydrophobicContact CB-CG1 3.99Å; K370-V380 HydrophobicContact CG-CB 4.19Å; K370-V380 HydrophobicContact CG-CG1 4.09Å; K370-L383 HydrophobicContact CB-CD1 4.45Å; K370-L383 HydrophobicContact CG-CB 3.82Å; K370-L383 HydrophobicContact CG-CD1 3.81Å; K370-L383 HydrophobicContact CG-CG 4.47Å; K370-E384 HydrophobicContact CD-CG 4.42Å; K370-E384 VanDerWaalsContact NZ-CG 3.26Å; K370-E387 IonicContact NZ-OE2 2.84Å; K370-E387 PolarHBondContact NZ-OE2 3.5Å
371E88.7Confident86.5Confident97 Ų9776.3 Ų76.345%0.45343%0.426SS..Hα-helixtrans-65-43.4177.9-71.5-55.712000112G367 E368 H373 K374 Q375G367-E371 PolarHBondContact O-N 3.38Å; E368-E371 PolarHBondContact O-N 3.46Å; E371-H373 VanDerWaalsContact C-N 3.32Å; E371-H373 PolarHBondContact O-N 3.11Å; E371-K374 PolarHBondContact O-N 3.33Å; E371-K374 IonicContact OE1-NZ 2.6Å; E371-K374 PolarHBondContact OE1-NZ 2.61Å; E371-Q375 WeakPolarHBondContact O-CG 3.45Å; E371-Q375 PolarHBondContact O-N 3.08Å
372K88.6Confident86.3Confident147 Ų14775.3 Ų75.364%0.63943%0.432SS*.Hα-helixtrans-62.7-38.9175.4-170.2176.5-178.5178.40112.3E368 L369 S376E368-K372 WeakPolarHBondContact O-CB 3.45Å; E368-K372 PolarHBondContact O-N 3.06Å; L369-K372 PolarHBondContact O-N 2.56Å; K372-S376 PolarHBondContact O-N 2.76Å; K372-S376 PolarHBondContact O-OG 2.69Å
373H86.6Confident86.3Confident84 Ų8476.6 Ų76.639%0.38944%0.438SS..Hα-helixtrans-72.4-38.9179.5-156.859.3000112L369 K370 E371 Q375 S376 G377 G378 S379 L383L369-H373 VanDerWaalsContact O-CB 3.23Å; L369-H373 WeakPolarHBondContact O-CB 2.98Å; L369-H373 PolarHBondContact O-N 3.41Å; K370-H373 PolarHBondContact O-N 3.41Å; E371-H373 VanDerWaalsContact C-N 3.32Å; E371-H373 PolarHBondContact O-N 3.11Å; H373-Q375 PolarHBondContact O-N 3.47Å; H373-S376 CarbonylContact O-C 3.53Å; H373-S376 PolarHBondContact O-N 3.47Å; H373-S376 VanDerWaalsContact O-N 3.11Å; H373-G377 PolarHBondContact O-N 3.45Å; H373-G378 WeakPolarHBondContact NE2-CA 3.46Å; H373-G378 PolarHBondContact O-N 3.3Å; H373-S379 PolarHBondContact CD2-O 2.85Å; H373-S379 VanDerWaalsContact CD2-O 3.26Å; H373-L383 HydrophobicContact CB-CD1 4.08Å
374K85Confident86.2Confident110 Ų11074.4 Ų74.448%0.47843%0.434SS..Hα-helixtrans-59.5-44.6171.5-76.9177.2-170.4165.80112.1K370 E371 S376 G377 V380K370-K374 WeakPolarHBondContact O-CB 3.19Å; K370-K374 VanDerWaalsContact O-CG 3.31Å; K370-K374 WeakPolarHBondContact O-CG 3.08Å; K370-K374 PolarHBondContact O-N 3.3Å; E371-K374 PolarHBondContact O-N 3.33Å; E371-K374 IonicContact OE1-NZ 2.6Å; E371-K374 PolarHBondContact OE1-NZ 2.61Å; K374-S376 PolarHBondContact O-N 3.17Å; K374-G377 PolarHBondContact O-N 3.35Å; K374-V380 HydrophobicContact CD-CG1 4.37Å; K374-V380 HydrophobicContact CG-CG1 3.63Å
375Q82.8Confident86Confident161 Ų16178.8 Ų78.875%0.75245%0.45SS*.Hα-helixtrans-61.5-28.3176.4-72.4174.49.700112.5E371 H373 G377E371-Q375 WeakPolarHBondContact O-CG 3.45Å; E371-Q375 PolarHBondContact O-N 3.08Å; H373-Q375 PolarHBondContact O-N 3.47Å; Q375-G377 VanDerWaalsContact C-N 3.28Å; Q375-G377 PolarHBondContact O-N 3.45Å
376S85.1Confident85.8Confident93 Ų9380 Ų8065%0.6545%0.453SS*.THydrogen-bonded Turntrans-86.15.3176.6-49.80000113.3K372 H373 K374 G378K372-S376 PolarHBondContact O-N 2.76Å; K372-S376 PolarHBondContact O-OG 2.69Å; H373-S376 CarbonylContact O-C 3.53Å; H373-S376 PolarHBondContact O-N 3.47Å; H373-S376 VanDerWaalsContact O-N 3.11Å; K374-S376 PolarHBondContact O-N 3.17Å; S376-G378 VanDerWaalsContact C-N 3.32Å; S376-G378 PolarHBondContact O-N 3.4Å
377G76.2Confident85.6Confident74 Ų7481 Ų8176%0.76346%0.458SS*.THydrogen-bonded Turntrans75.414.6-177.200000114.9H373 K374 Q375H373-G377 PolarHBondContact O-N 3.45Å; K374-G377 PolarHBondContact O-N 3.35Å; Q375-G377 VanDerWaalsContact C-N 3.28Å; Q375-G377 PolarHBondContact O-N 3.45Å
378G78.4Confident85.5Confident22 Ų2284 Ų8423%0.22747%0.466CS..  trans-88.2152.8-177.800000114.2H373 S376H373-G378 WeakPolarHBondContact NE2-CA 3.46Å; H373-G378 PolarHBondContact O-N 3.3Å; S376-G378 VanDerWaalsContact C-N 3.32Å; S376-G378 PolarHBondContact O-N 3.4Å
379S80.8Confident85.5Confident98 Ų9879.5 Ų79.569%0.68545%0.453SS*.  trans-78129.9175.4179.90000111.3H373 G381H373-S379 PolarHBondContact CD2-O 2.85Å; H373-S379 VanDerWaalsContact CD2-O 3.26Å; S379-G381 VanDerWaalsContact C-N 3.34Å; S379-G381 PolarHBondContact O-N 3.28Å
380V86.3Confident85.4Confident24 Ų2477.4 Ų77.415%0.14544%0.441CS..  trans-83.9-3.4-179.1-66.80000114.5K370 K374 A382 L383 E384K370-V380 HydrophobicContact CB-CG1 3.99Å; K370-V380 HydrophobicContact CG-CB 4.19Å; K370-V380 HydrophobicContact CG-CG1 4.09Å; K374-V380 HydrophobicContact CD-CG1 4.37Å; K374-V380 HydrophobicContact CG-CG1 3.63Å; V380-A382 PolarHBondContact O-N 2.93Å; V380-L383 WeakPolarHBondContact O-CB 3.46Å; V380-L383 PolarHBondContact O-N 2.94Å; V380-E384 PolarHBondContact O-N 2.99Å
381G82Confident85.2Confident32 Ų3277.7 Ų77.733%0.3345%0.446SS..Hα-helixtrans-57.7-43.7-172.700000113.8S379 L383 E384 E385S379-G381 VanDerWaalsContact C-N 3.34Å; S379-G381 PolarHBondContact O-N 3.28Å; G381-L383 VanDerWaalsContact C-N 3.3Å; G381-L383 PolarHBondContact O-N 2.84Å; G381-E384 PolarHBondContact O-N 3.38Å; G381-E385 PolarHBondContact O-N 2.85Å
382A81.4Confident85Confident73 Ų7378.2 Ų78.260%0.60345%0.451SS*.Hα-helixtrans-64.7-33.8177.500000112.7V380 L386V380-A382 PolarHBondContact O-N 2.93Å; A382-L386 WeakPolarHBondContact O-CB 3.48Å; A382-L386 PolarHBondContact O-N 3.13Å
383L87.5Confident84.8Confident33 Ų3373.3 Ų73.317%0.17344%0.438CS..Hα-helixtrans-71.8-35.8176-68170.9000111.6F366 L369 K370 H373 V380 G381 E387F366-L383 HydrophobicContact CD1-CB 4.32Å; F366-L383 HydrophobicContact CD1-CD2 4.23Å; F366-L383 WeakPolarHBondContact CD1-O 2.88Å; F366-L383 HydrophobicContact CE1-CD2 4.18Å; L369-L383 HydrophobicContact CB-CD1 4.24Å; L369-L383 HydrophobicContact CB-CD2 4.35Å; L369-L383 HydrophobicContact CD1-CD2 4.5Å; K370-L383 HydrophobicContact CB-CD1 4.45Å; K370-L383 HydrophobicContact CG-CB 3.82Å; K370-L383 HydrophobicContact CG-CD1 3.81Å; K370-L383 HydrophobicContact CG-CG 4.47Å; H373-L383 HydrophobicContact CB-CD1 4.08Å; V380-L383 WeakPolarHBondContact O-CB 3.46Å; V380-L383 PolarHBondContact O-N 2.94Å; G381-L383 VanDerWaalsContact C-N 3.3Å; G381-L383 PolarHBondContact O-N 2.84Å; L383-E387 WeakPolarHBondContact O-CB 3.2Å; L383-E387 PolarHBondContact O-N 2.88Å
384E87.3Confident84.6Confident92 Ų9270.1 Ų70.143%0.4342%0.423SS..Hα-helixtrans-66.6-42.6173.7-73.1173.817100112K370 V380 G381 E387 N388K370-E384 HydrophobicContact CD-CG 4.42Å; K370-E384 VanDerWaalsContact NZ-CG 3.26Å; V380-E384 PolarHBondContact O-N 2.99Å; G381-E384 PolarHBondContact O-N 3.38Å; E384-E387 PolarHBondContact O-N 3Å; E384-N388 WeakPolarHBondContact O-CB 3.42Å; E384-N388 VanDerWaalsContact O-CG 3.27Å; E384-N388 PolarHBondContact O-N 3.38Å; E384-N388 PolarHBondContact O-ND2 3.38Å
385E85.3Confident84.3Confident148 Ų14872.2 Ų72.269%0.69244%0.435SS*.Hα-helixtrans-62.4-44.6175.8-172.9172.1-170.300111.6G381 N388 A389G381-E385 PolarHBondContact O-N 2.85Å; E385-N388 PolarHBondContact O-N 2.86Å; E385-A389 PolarHBondContact O-N 3.11Å
386L87.3Confident84.1Confident95 Ų9569.5 Ų69.550%0.49743%0.434SS..Hα-helixtrans-64.5-42.1177.4-168.162.6000111.8F366 A382 N388 A389 F390F366-L386 HydrophobicContact CE1-CB 3.86Å; F366-L386 HydrophobicContact CE1-CD2 3.79Å; F366-L386 HydrophobicContact CE1-CG 3.93Å; F366-L386 HydrophobicContact CZ-CB 3.98Å; F366-L386 HydrophobicContact CZ-CD2 3.63Å; F366-L386 HydrophobicContact CZ-CG 3.61Å; A382-L386 WeakPolarHBondContact O-CB 3.48Å; A382-L386 PolarHBondContact O-N 3.13Å; L386-N388 VanDerWaalsContact C-N 3.32Å; L386-N388 PolarHBondContact O-N 3.16Å; L386-A389 WeakPolarHBondContact O-CB 3.44Å; L386-A389 PolarHBondContact O-N 2.89Å; L386-F390 HydrophobicContact CG-CE2 4.44Å; L386-F390 WeakPolarHBondContact O-CD2 3.5Å; L386-F390 PolarHBondContact O-N 2.94Å
387E88.4Confident83.8Confident37 Ų3768 Ų6817%0.17342%0.423CS..Hα-helixtrans-60.9-39.9174.3-173.6-176.9177.200112.2R363 F366 K370 L383 E384 F390 S391R363-E387 WeakPolarHBondContact CG-OE1 3.37Å; F366-E387 HydrophobicContact CB-CB 4.33Å; F366-E387 HydrophobicContact CB-CG 4.29Å; F366-E387 HydrophobicContact CD1-CB 4.16Å; F366-E387 HydrophobicContact CD2-CB 4.03Å; F366-E387 HydrophobicContact CD2-CG 4.15Å; F366-E387 HydrophobicContact CE2-CB 4.45Å; F366-E387 HydrophobicContact CG-CB 3.91Å; F366-E387 HydrophobicContact CG-CG 4.22Å; K370-E387 IonicContact NZ-OE2 2.84Å; K370-E387 PolarHBondContact NZ-OE2 3.5Å; L383-E387 WeakPolarHBondContact O-CB 3.2Å; L383-E387 PolarHBondContact O-N 2.88Å; E384-E387 PolarHBondContact O-N 3Å; E387-F390 WeakPolarHBondContact O-CB 3.42Å; E387-F390 PolarHBondContact O-N 3.43Å; E387-S391 PolarHBondContact O-N 3.05Å; E387-S391 PolarHBondContact O-OG 3Å
388N87.3Confident84.2Confident95 Ų9568 Ų6851%0.50841%0.41SS..Hα-helixtrans-67.5-36.3176.5-73.5-29.4000112E384 E385 L386 F390 S391 L392E384-N388 WeakPolarHBondContact O-CB 3.42Å; E384-N388 VanDerWaalsContact O-CG 3.27Å; E384-N388 PolarHBondContact O-N 3.38Å; E384-N388 PolarHBondContact O-ND2 3.38Å; E385-N388 PolarHBondContact O-N 2.86Å; L386-N388 VanDerWaalsContact C-N 3.32Å; L386-N388 PolarHBondContact O-N 3.16Å; N388-F390 VanDerWaalsContact C-N 3.3Å; N388-F390 PolarHBondContact O-N 3.07Å; N388-S391 WeakPolarHBondContact O-CB 3.4Å; N388-S391 PolarHBondContact O-N 3.5Å; N388-L392 PolarHBondContact O-N 3.41Å
389A89.7Confident84.4Confident47 Ų4768 Ų6839%0.38841%0.409SS..Hα-helixtrans-60.2-39.4175.400000112.1E385 L386 S391 L392 A393E385-A389 PolarHBondContact O-N 3.11Å; L386-A389 WeakPolarHBondContact O-CB 3.44Å; L386-A389 PolarHBondContact O-N 2.89Å; A389-S391 VanDerWaalsContact C-N 3.31Å; A389-S391 PolarHBondContact O-N 3.39Å; A389-L392 PolarHBondContact O-N 3.26Å; A389-A393 VanDerWaalsContact O-CB 3.26Å; A389-A393 WeakPolarHBondContact O-CB 3.3Å; A389-A393 PolarHBondContact O-N 3.38Å
390F88.5Confident84.6Confident37 Ų3766.4 Ų66.416%0.16239%0.392CS..Hα-helixtrans-59.6-41.3171.8-86.8-85.3000112.3L358 V362 F366 L386 E387 N388 E394 L404 M405L358-F390 HydrophobicContact CD2-CB 3.83Å; L358-F390 HydrophobicContact CD2-CD1 4.35Å; V362-F390 HydrophobicContact CG1-CB 4.12Å; V362-F390 HydrophobicContact CG1-CD1 4.05Å; V362-F390 HydrophobicContact CG1-CD2 4.02Å; V362-F390 HydrophobicContact CG1-CE1 4.47Å; V362-F390 HydrophobicContact CG1-CE2 4.48Å; V362-F390 HydrophobicContact CG1-CG 3.81Å; V362-F390 HydrophobicContact CG2-CD1 4.28Å; V362-F390 HydrophobicContact CG2-CE1 4.38Å; F366-F390 AromaticContact CE2-CD2 3.78Å; F366-F390 HydrophobicContact CE2-CD2 3.78Å; F366-F390 AromaticContact CE2-CE2 3.78Å; F366-F390 HydrophobicContact CE2-CE2 3.78Å; F366-F390 HydrophobicContact CZ-CD2 4.16Å; F366-F390 AromaticContact CZ-CE2 3.97Å; F366-F390 HydrophobicContact CZ-CE2 3.97Å; L386-F390 HydrophobicContact CG-CE2 4.44Å; L386-F390 WeakPolarHBondContact O-CD2 3.5Å; L386-F390 PolarHBondContact O-N 2.94Å; E387-F390 WeakPolarHBondContact O-CB 3.42Å; E387-F390 PolarHBondContact O-N 3.43Å; N388-F390 VanDerWaalsContact C-N 3.3Å; N388-F390 PolarHBondContact O-N 3.07Å; F390-E394 WeakPolarHBondContact O-CB 3.5Å; F390-E394 PolarHBondContact O-N 2.92Å; F390-E394 VanDerWaalsContact O-N 3.11Å; F390-L404 HydrophobicContact CE1-CD2 3.72Å; F390-L404 HydrophobicContact CZ-CD2 4.08Å; F390-M405 HydrophobicContact CE1-CE 3.52Å; F390-M405 HydrophobicContact CZ-CE 3.81Å
391S85.8Confident84.6Confident33 Ų3365.3 Ų65.323%0.23139%0.386CS..Hα-helixtrans-67.1-43.7178.7-59.30000112E387 N388 A389 E394 E395E387-S391 PolarHBondContact O-N 3.05Å; E387-S391 PolarHBondContact O-OG 3Å; N388-S391 WeakPolarHBondContact O-CB 3.4Å; N388-S391 PolarHBondContact O-N 3.5Å; A389-S391 VanDerWaalsContact C-N 3.31Å; A389-S391 PolarHBondContact O-N 3.39Å; S391-E394 PolarHBondContact O-N 3.43Å; S391-E395 WeakPolarHBondContact O-CG 3.44Å; S391-E395 PolarHBondContact O-N 3.02Å
392L84.6Confident84.8Confident107 Ų10766.5 Ų66.556%0.5638%0.384SS*.Hα-helixtrans-66.3-39.5177.1-72.2170.2000112.7N388 A389 E394 E395 S396N388-L392 PolarHBondContact O-N 3.41Å; A389-L392 PolarHBondContact O-N 3.26Å; L392-E394 VanDerWaalsContact C-N 3.32Å; L392-E394 PolarHBondContact O-N 3.25Å; L392-E395 PolarHBondContact O-N 2.86Å; L392-S396 WeakPolarHBondContact O-CB 3.43Å; L392-S396 PolarHBondContact O-N 2.95Å; L392-S396 PolarHBondContact O-OG 3.11Å
393A84.3Confident85Confident44 Ų4469.6 Ų69.636%0.36438%0.384SS..Hα-helixtrans-61.7-42.417600000111A389 S396 C397 I400A389-A393 VanDerWaalsContact O-CB 3.26Å; A389-A393 WeakPolarHBondContact O-CB 3.3Å; A389-A393 PolarHBondContact O-N 3.38Å; A393-S396 PolarHBondContact O-N 3.23Å; A393-C397 PolarHBondContact O-N 3.11Å; A393-I400 HydrophobicContact CB-CG2 4.16Å
394E83.1Confident85Confident17 Ų1771.8 Ų71.88%0.07940%0.395CS..Hα-helixtrans-67.9-37.6177.4-169.774.1-16800113.1S355 L358 F390 S391 L392 S396 C397 P398 G399 S401S355-E394 VanDerWaalsContact CB-CD 3.49Å; S355-E394 WeakPolarHBondContact CB-OE1 3.44Å; S355-E394 PolarHBondContact N-OE1 3.03Å; L358-E394 HydrophobicContact CD1-CB 3.6Å; L358-E394 HydrophobicContact CD1-CG 3.47Å; L358-E394 VanDerWaalsContact CD1-CG 3.47Å; F390-E394 WeakPolarHBondContact O-CB 3.5Å; F390-E394 PolarHBondContact O-N 2.92Å; F390-E394 VanDerWaalsContact O-N 3.11Å; S391-E394 PolarHBondContact O-N 3.43Å; L392-E394 VanDerWaalsContact C-N 3.32Å; L392-E394 PolarHBondContact O-N 3.25Å; E394-S396 VanDerWaalsContact C-N 3.29Å; E394-S396 PolarHBondContact O-N 2.74Å; E394-C397 CarbonylContact O-C 3.55Å; E394-C397 VanDerWaalsContact O-C 3.22Å; E394-C397 PolarHBondContact O-N 3.03Å; E394-P398 WeakPolarHBondContact O-CA 3.34Å; E394-G399 PolarHBondContact OE1-N 2.91Å; E394-S401 WeakPolarHBondContact OE2-CB 3.5Å; E394-S401 PolarHBondContact OE2-N 3.36Å; E394-S401 VanDerWaalsContact OE2-N 3.11Å; E394-S401 PolarHBondContact OE2-OG 3.49Å
395E78.7Confident84.9Confident154 Ų15469.2 Ų69.272%0.7238%0.384SS*.Hα-helixtrans-64.1-37.6173.3-75-177.717500111.8S391 L392S391-E395 WeakPolarHBondContact O-CG 3.44Å; S391-E395 PolarHBondContact O-N 3.02Å; L392-E395 PolarHBondContact O-N 2.86Å
396S77.5Confident84.9Confident105 Ų10566 Ų6673%0.73437%0.374SS*.Hα-helixtrans-75.3-31.3178-56.10000112.6L392 A393 E394L392-S396 WeakPolarHBondContact O-CB 3.43Å; L392-S396 PolarHBondContact O-N 2.95Å; L392-S396 PolarHBondContact O-OG 3.11Å; A393-S396 PolarHBondContact O-N 3.23Å; E394-S396 VanDerWaalsContact C-N 3.29Å; E394-S396 PolarHBondContact O-N 2.74Å
397C80.4Confident84.8Confident61 Ų6167.1 Ų67.141%0.41238%0.377SS..SBendtrans-148.492-178-168.50000111.1A393 E394 G399 I400A393-C397 PolarHBondContact O-N 3.11Å; E394-C397 CarbonylContact O-C 3.55Å; E394-C397 VanDerWaalsContact O-C 3.22Å; E394-C397 PolarHBondContact O-N 3.03Å; C397-G399 PolarHBondContact O-N 3.4Å; C397-I400 HydrophobicContact CB-CB 4.09Å; C397-I400 HydrophobicContact CB-CG2 4.26Å; C397-I400 WeakPolarHBondContact O-CB 3.41Å; C397-I400 WeakPolarHBondContact O-CG2 3.49Å; C397-I400 PolarHBondContact O-N 3.03Å; C397-I400 VanDerWaalsContact O-N 3.16Å
398P83.4Confident84.7Confident75 Ų7569.3 Ų69.349%0.48739%0.389SS..THydrogen-bonded Turntrans-57.1132.2179.2-27.535.5000112.9E394E394-P398 WeakPolarHBondContact O-CA 3.34Å
399G82.6Confident84.5Confident20 Ų2068.4 Ų68.421%0.20639%0.387CS..THydrogen-bonded Turntrans83.90.4-178.500000115.1E394 C397 S401 D402 K403E394-G399 PolarHBondContact OE1-N 2.91Å; C397-G399 PolarHBondContact O-N 3.4Å; G399-S401 VanDerWaalsContact C-N 3.28Å; G399-S401 PolarHBondContact O-N 3.47Å; G399-D402 PolarHBondContact O-N 3Å; G399-K403 PolarHBondContact O-N 3.3Å
400I85Confident84.2Confident65 Ų6569.6 Ų69.633%0.33339%0.385SS..Hα-helixtrans-63.5-37.1177.5-166.460.6000111.6A393 C397 D402 K403 L404A393-I400 HydrophobicContact CB-CG2 4.16Å; C397-I400 HydrophobicContact CB-CB 4.09Å; C397-I400 HydrophobicContact CB-CG2 4.26Å; C397-I400 WeakPolarHBondContact O-CB 3.41Å; C397-I400 WeakPolarHBondContact O-CG2 3.49Å; C397-I400 PolarHBondContact O-N 3.03Å; C397-I400 VanDerWaalsContact O-N 3.16Å; I400-D402 VanDerWaalsContact C-N 3.32Å; I400-D402 PolarHBondContact O-N 3.39Å; I400-K403 PolarHBondContact O-N 2.93Å; I400-L404 PolarHBondContact O-N 2.95Å
401S86.3Confident84Confident2 Ų274.6 Ų74.61%0.01440%0.402CS..Hα-helixtrans-64.2-39.6179-53.10000111.3E394 G399 L404 M405E394-S401 WeakPolarHBondContact OE2-CB 3.5Å; E394-S401 PolarHBondContact OE2-N 3.36Å; E394-S401 VanDerWaalsContact OE2-N 3.11Å; E394-S401 PolarHBondContact OE2-OG 3.49Å; G399-S401 VanDerWaalsContact C-N 3.28Å; G399-S401 PolarHBondContact O-N 3.47Å; S401-L404 PolarHBondContact O-N 3.35Å; S401-M405 WeakPolarHBondContact O-CG 3.48Å; S401-M405 PolarHBondContact O-N 3.45Å; S401-M405 VanDerWaalsContact O-N 3.11Å
402D85.5Confident83.8Confident57 Ų5777.7 Ų77.731%0.30542%0.419SS..Hα-helixtrans-64.5-45177-60.9-41.1000110.9S355 C357 G399 I400 L404 M405 V406S355-D402 WeakPolarHBondContact CA-OD2 3.3Å; S355-D402 WeakPolarHBondContact CB-OD1 3.26Å; S355-D402 WeakPolarHBondContact CB-OD2 3.49Å; S355-D402 VanDerWaalsContact OG-CG 3.24Å; S355-D402 PolarHBondContact OG-OD1 2.91Å; S355-D402 PolarHBondContact OG-OD2 3.47Å; C357-D402 WeakPolarHBondContact CB-OD1 3.42Å; C357-D402 PolarHBondContact N-OD1 3.46Å; G399-D402 PolarHBondContact O-N 3Å; I400-D402 VanDerWaalsContact C-N 3.32Å; I400-D402 PolarHBondContact O-N 3.39Å; D402-L404 PolarHBondContact O-N 3.46Å; D402-M405 PolarHBondContact O-N 3.21Å; D402-V406 WeakPolarHBondContact O-CG2 3.29Å; D402-V406 PolarHBondContact O-N 2.97Å
403K86Confident83.7Confident138 Ų13877.9 Ų77.960%0.642%0.418SS*.Hα-helixtrans-61.4-44.4177.4-71.6179.8-179.4177.60112.4G399 I400 M405 V406 H407G399-K403 PolarHBondContact O-N 3.3Å; I400-K403 PolarHBondContact O-N 2.93Å; K403-M405 VanDerWaalsContact C-N 3.3Å; K403-M405 PolarHBondContact O-N 3.45Å; K403-V406 PolarHBondContact O-N 2.87Å; K403-H407 PolarHBondContact O-CD2 3.38Å; K403-H407 VanDerWaalsContact O-CD2 3.26Å; K403-H407 PolarHBondContact O-N 3.46Å
404L88.7Confident83.4Confident78 Ų7882.7 Ų82.741%0.40843%0.426SS..Hα-helixtrans-58.9-44.2177.6176.959.5000110.9F390 I400 S401 D402 H407 L408F390-L404 HydrophobicContact CE1-CD2 3.72Å; F390-L404 HydrophobicContact CZ-CD2 4.08Å; I400-L404 PolarHBondContact O-N 2.95Å; S401-L404 PolarHBondContact O-N 3.35Å; D402-L404 PolarHBondContact O-N 3.46Å; L404-H407 PolarHBondContact O-N 2.75Å; L404-L408 HydrophobicContact CD1-CD1 4.07Å; L404-L408 HydrophobicContact CD1-CG 4.26Å; L404-L408 HydrophobicContact CG-CD1 3.94Å; L404-L408 WeakPolarHBondContact O-CG 3.44Å; L404-L408 PolarHBondContact O-N 3.02Å
405M85.1Confident83Confident38 Ų3887.8 Ų87.819%0.18745%0.448CS..Hα-helixtrans-69.9-36.9-179.3-68.8-54.7149.500113.6C357 V362 F390 S401 D402 K403 H407 L408 V409C357-M405 WeakPolarHBondContact SG-CG 3.42Å; V362-M405 HydrophobicContact CG2-CE 3.98Å; F390-M405 HydrophobicContact CE1-CE 3.52Å; F390-M405 HydrophobicContact CZ-CE 3.81Å; S401-M405 WeakPolarHBondContact O-CG 3.48Å; S401-M405 PolarHBondContact O-N 3.45Å; S401-M405 VanDerWaalsContact O-N 3.11Å; D402-M405 PolarHBondContact O-N 3.21Å; K403-M405 VanDerWaalsContact C-N 3.3Å; K403-M405 PolarHBondContact O-N 3.45Å; M405-H407 VanDerWaalsContact C-N 3.32Å; M405-H407 PolarHBondContact O-N 3.4Å; M405-L408 HydrophobicContact CE-CD1 4.02Å; M405-L408 PolarHBondContact O-N 3.21Å; M405-L408 HydrophobicContact SD-CD1 3.73Å; M405-V409 WeakPolarHBondContact O-CB 3.46Å; M405-V409 VanDerWaalsContact O-CG2 3.31Å; M405-V409 WeakPolarHBondContact O-CG2 3.48Å; M405-V409 PolarHBondContact O-N 3.5Å
406V85Confident82.7Confident80 Ų8083.4 Ų83.449%0.48544%0.435SS..Hα-helixtrans-56.4-49.5172.6170.70000110.3D402 K403 L408 V409 E410D402-V406 WeakPolarHBondContact O-CG2 3.29Å; D402-V406 PolarHBondContact O-N 2.97Å; K403-V406 PolarHBondContact O-N 2.87Å; V406-L408 PolarHBondContact O-N 3.31Å; V406-V409 PolarHBondContact O-N 2.99Å; V406-E410 WeakPolarHBondContact O-CB 3.13Å; V406-E410 VanDerWaalsContact O-CG 3.32Å; V406-E410 WeakPolarHBondContact O-CG 3.23Å; V406-E410 PolarHBondContact O-N 3.28Å
407H85.2Confident82.1Confident119 Ų11984.4 Ų84.455%0.55143%0.428SS*.Hα-helixtrans-65.5-38.5179-76.2-58.2000113.4K403 L404 M405 E410 R411K403-H407 PolarHBondContact O-CD2 3.38Å; K403-H407 VanDerWaalsContact O-CD2 3.26Å; K403-H407 PolarHBondContact O-N 3.46Å; L404-H407 PolarHBondContact O-N 2.75Å; M405-H407 VanDerWaalsContact C-N 3.32Å; M405-H407 PolarHBondContact O-N 3.4Å; H407-E410 IonicContact ND1-OE2 2.85Å; H407-R411 VanDerWaalsContact O-CB 3.25Å; H407-R411 WeakPolarHBondContact O-CB 3.38Å; H407-R411 PolarHBondContact O-N 2.94Å
408L85.4Confident81.2Confident84 Ų8486.5 Ų86.544%0.4444%0.435SS..Hα-helixtrans-63.7-45.8176.1-77.8169.6000111.6L404 M405 V406 R411 V412L404-L408 HydrophobicContact CD1-CD1 4.07Å; L404-L408 HydrophobicContact CD1-CG 4.26Å; L404-L408 HydrophobicContact CG-CD1 3.94Å; L404-L408 WeakPolarHBondContact O-CG 3.44Å; L404-L408 PolarHBondContact O-N 3.02Å; M405-L408 HydrophobicContact CE-CD1 4.02Å; M405-L408 PolarHBondContact O-N 3.21Å; M405-L408 HydrophobicContact SD-CD1 3.73Å; V406-L408 PolarHBondContact O-N 3.31Å; L408-R411 PolarHBondContact O-N 3.29Å; L408-V412 VanDerWaalsContact O-CG2 3.32Å; L408-V412 WeakPolarHBondContact O-CG2 3.48Å; L408-V412 PolarHBondContact O-N 2.9Å
409V83.8Confident79.8Confident75 Ų7592 Ų9246%0.45545%0.445SS..Hα-helixtrans-62.5-46.9177.7171.40000110.7M405 V406 R411 V412 Q413M405-V409 WeakPolarHBondContact O-CB 3.46Å; M405-V409 VanDerWaalsContact O-CG2 3.31Å; M405-V409 WeakPolarHBondContact O-CG2 3.48Å; M405-V409 PolarHBondContact O-N 3.5Å; V406-V409 PolarHBondContact O-N 2.99Å; V409-R411 VanDerWaalsContact C-N 3.29Å; V409-R411 PolarHBondContact O-N 2.55Å; V409-V412 PolarHBondContact O-N 3.26Å; V409-Q413 HydrophobicContact CG1-CG 4.31Å; V409-Q413 WeakPolarHBondContact O-CB 3.43Å; V409-Q413 VanDerWaalsContact O-CG 3.3Å; V409-Q413 WeakPolarHBondContact O-CG 3.43Å; V409-Q413 PolarHBondContact O-N 3.49Å
410E84Confident78.4Confident73 Ų7396 Ų9634%0.34146%0.462SS..Hα-helixtrans-58.8-40.3175.8-75.2177.6179.900112.5V406 H407 R414V406-E410 WeakPolarHBondContact O-CB 3.13Å; V406-E410 VanDerWaalsContact O-CG 3.32Å; V406-E410 WeakPolarHBondContact O-CG 3.23Å; V406-E410 PolarHBondContact O-N 3.28Å; H407-E410 IonicContact ND1-OE2 2.85Å; E410-R414 WeakPolarHBondContact O-CB 3.47Å; E410-R414 WeakPolarHBondContact O-CG 3.46Å; E410-R414 PolarHBondContact O-N 3.01Å; E410-R414 VanDerWaalsContact O-N 3.09Å; E410-R414 PolarHBondContact O-NE 3.11Å; E410-R414 IonicContact OE2-NH2 3.75Å; E410-R414 PolarHBondContact OE2-NH2 2.88Å
411R83.4Confident76.8Confident142 Ų14299.5 Ų99.554%0.53648%0.477SS..Hα-helixtrans-65.2-46.3178.3-171.774.2163121.2-2.2110.6H407 L408 V409 R414 F415H407-R411 VanDerWaalsContact O-CB 3.25Å; H407-R411 WeakPolarHBondContact O-CB 3.38Å; H407-R411 PolarHBondContact O-N 2.94Å; L408-R411 PolarHBondContact O-N 3.29Å; V409-R411 VanDerWaalsContact C-N 3.29Å; V409-R411 PolarHBondContact O-N 2.55Å; R411-R414 PolarHBondContact O-N 3.34Å; R411-F415 HydrophobicContact CG-CD2 4.25Å; R411-F415 HydrophobicContact CG-CE2 4.26Å; R411-F415 VanDerWaalsContact CZ-CE2 3.48Å; R411-F415 WeakPolarHBondContact O-CD2 3.3Å; R411-F415 PolarHBondContact O-N 3.04Å
412V82.5Confident75.1Confident97 Ų97105.8 Ų105.859%0.58851%0.51SS*.Hα-helixtrans-65.5-41.5179172.20000111.4L408 V409 R414 F415 S416L408-V412 VanDerWaalsContact O-CG2 3.32Å; L408-V412 WeakPolarHBondContact O-CG2 3.48Å; L408-V412 PolarHBondContact O-N 2.9Å; V409-V412 PolarHBondContact O-N 3.26Å; V412-R414 VanDerWaalsContact C-N 3.34Å; V412-R414 PolarHBondContact O-N 3.5Å; V412-F415 PolarHBondContact O-N 2.87Å; V412-S416 PolarHBondContact O-N 3.5Å
413Q82.2Confident73.4Confident112 Ų112107.8 Ų107.852%0.52352%0.524SS..Hα-helixtrans-61.8-40.5176.4-75.2176.2-9.500112.4V409 S416 H417V409-Q413 HydrophobicContact CG1-CG 4.31Å; V409-Q413 WeakPolarHBondContact O-CB 3.43Å; V409-Q413 VanDerWaalsContact O-CG 3.3Å; V409-Q413 WeakPolarHBondContact O-CG 3.43Å; V409-Q413 PolarHBondContact O-N 3.49Å; Q413-S416 PolarHBondContact O-N 3.35Å; Q413-H417 PolarHBondContact O-N 3.11Å; Q413-H417 PolarHBondContact O-ND1 3.38Å; Q413-H417 VanDerWaalsContact O-ND1 3.17Å
414R76.8Confident71.4Confident144 Ų144105.9 Ų105.954%0.54353%0.528SS..Hα-helixtrans-62.6-42.9173.4-77.8-176-103.9-176.5-9.8112E410 R411 V412 N418E410-R414 WeakPolarHBondContact O-CB 3.47Å; E410-R414 WeakPolarHBondContact O-CG 3.46Å; E410-R414 PolarHBondContact O-N 3.01Å; E410-R414 VanDerWaalsContact O-N 3.09Å; E410-R414 PolarHBondContact O-NE 3.11Å; E410-R414 IonicContact OE2-NH2 3.75Å; E410-R414 PolarHBondContact OE2-NH2 2.88Å; R411-R414 PolarHBondContact O-N 3.34Å; V412-R414 VanDerWaalsContact C-N 3.34Å; V412-R414 PolarHBondContact O-N 3.5Å; R414-N418 PolarHBondContact O-N 3Å
415F75.1Confident69.2Low125 Ų125107.7 Ų107.755%0.54854%0.543SS..Hα-helixtrans-64.6-38.9175.6-93.3-76.2000112.9R411 V412 R419R411-F415 HydrophobicContact CG-CD2 4.25Å; R411-F415 HydrophobicContact CG-CE2 4.26Å; R411-F415 VanDerWaalsContact CZ-CE2 3.48Å; R411-F415 WeakPolarHBondContact O-CD2 3.3Å; R411-F415 PolarHBondContact O-N 3.04Å; V412-F415 PolarHBondContact O-N 2.87Å; F415-R419 PolarHBondContact O-N 3.23Å
416S73.4Confident67Low62 Ų62120 Ų12043%0.43459%0.587SS.*Hα-helixtrans-67.8-43.4178.1-169.50000112.4V412 Q413 N418 R419 N420V412-S416 PolarHBondContact O-N 3.5Å; Q413-S416 PolarHBondContact O-N 3.35Å; S416-N418 VanDerWaalsContact C-N 3.35Å; S416-N418 PolarHBondContact O-N 3.41Å; S416-R419 WeakPolarHBondContact O-CB 3.31Å; S416-R419 PolarHBondContact O-N 3.26Å; S416-R419 VanDerWaalsContact O-N 3.13Å; S416-N420 PolarHBondContact O-N 3.02Å; S416-N420 VanDerWaalsContact O-N 3.14Å
417H64.3Low66.1Low126 Ų126122.1 Ų122.158%0.58359%0.592SS**Hα-helixtrans-59.5-43.2175.2-88.978.7000112.4Q413 R419 N420 H421Q413-H417 PolarHBondContact O-N 3.11Å; Q413-H417 PolarHBondContact O-ND1 3.38Å; Q413-H417 VanDerWaalsContact O-ND1 3.17Å; H417-R419 VanDerWaalsContact C-N 3.25Å; H417-R419 PolarHBondContact O-N 3.19Å; H417-N420 PolarHBondContact O-N 3.34Å; H417-H421 PolarHBondContact O-CD2 3.5Å; H417-H421 PolarHBondContact O-N 3.01Å
418N61.4Low65.1Low105 Ų105122.2 Ų122.256%0.56160%0.595SS**Hα-helixtrans-64.7-31177.5-74.4-5.8000112.5R414 S416 L422R414-N418 PolarHBondContact O-N 3Å; S416-N418 VanDerWaalsContact C-N 3.35Å; S416-N418 PolarHBondContact O-N 3.41Å; N418-L422 WeakPolarHBondContact O-CD1 3.33Å; N418-L422 PolarHBondContact O-N 2.89Å
419R55.2Low64Low189 Ų189124.3 Ų124.371%0.71360%0.603SS**Hα-helixtrans-71.5-39.3177.1-125178.3146.9175.6-6.2112.6F415 S416 H417 H421 L422 T423F415-R419 PolarHBondContact O-N 3.23Å; S416-R419 WeakPolarHBondContact O-CB 3.31Å; S416-R419 PolarHBondContact O-N 3.26Å; S416-R419 VanDerWaalsContact O-N 3.13Å; H417-R419 VanDerWaalsContact C-N 3.25Å; H417-R419 PolarHBondContact O-N 3.19Å; R419-H421 VanDerWaalsContact C-N 3.31Å; R419-H421 PolarHBondContact O-N 2.88Å; R419-L422 WeakPolarHBondContact O-CB 3.45Å; R419-L422 PolarHBondContact O-N 2.84Å; R419-L422 VanDerWaalsContact O-N 3.11Å; R419-T423 PolarHBondContact O-N 2.87Å; R419-T423 PolarHBondContact O-OG1 3.16Å
420N53Low62.8Low104 Ų104127.2 Ų127.256%0.55661%0.612SS**Hα-helixtrans-68-31177.6-71.5-14.4000112.5S416 H417 L422 T423 S424S416-N420 PolarHBondContact O-N 3.02Å; S416-N420 VanDerWaalsContact O-N 3.14Å; H417-N420 PolarHBondContact O-N 3.34Å; N420-L422 VanDerWaalsContact C-N 3.26Å; N420-L422 PolarHBondContact O-N 3.3Å; N420-T423 PolarHBondContact O-N 3.24Å; N420-T423 PolarHBondContact O-OG1 3.42Å; N420-S424 PolarHBondContact O-N 3.31Å
421H51.6Low61.5Low139 Ų139130.6 Ų130.664%0.64463%0.629SS**Hα-helixtrans-67-26171.1-82.8-61.7000113.5H417 R419H417-H421 PolarHBondContact O-CD2 3.5Å; H417-H421 PolarHBondContact O-N 3.01Å; R419-H421 VanDerWaalsContact C-N 3.31Å; R419-H421 PolarHBondContact O-N 2.88Å
422L49.3Very low60Low134 Ų134129.9 Ų129.970%0.70264%0.635SS**Hα-helixtrans-83.4-22.4177.2-74.2157.2000113N418 R419 N420N418-L422 WeakPolarHBondContact O-CD1 3.33Å; N418-L422 PolarHBondContact O-N 2.89Å; R419-L422 WeakPolarHBondContact O-CB 3.45Å; R419-L422 PolarHBondContact O-N 2.84Å; R419-L422 VanDerWaalsContact O-N 3.11Å; N420-L422 VanDerWaalsContact C-N 3.26Å; N420-L422 PolarHBondContact O-N 3.3Å
423T49.8Very low58.4Low99 Ų99132.2 Ų132.261%0.60764%0.638SS**Hα-helixtrans-94.6-16.6-179.353.60000114.4R419 N420R419-T423 PolarHBondContact O-N 2.87Å; R419-T423 PolarHBondContact O-OG1 3.16Å; N420-T423 PolarHBondContact O-N 3.24Å; N420-T423 PolarHBondContact O-OG1 3.42Å
424S45.1Very low56.6Low99 Ų99133.8 Ų133.869%0.69265%0.647SS**SBendtrans-88.43.5178.5-164.40000114.5N420N420-S424 PolarHBondContact O-N 3.31Å
425T42.6Very low54.9Low115 Ų115132.9 Ų132.971%0.70666%0.656SS**  trans-110.639175.445.50000112.7
426R38.4Very low53.1Low298 Ų298133.6 Ų133.6100%1.12567%0.666SS**  trans-123.60157.8-84.3-173.4172.7-172.7-1.9108

Retrieved 426 of 426 residues in 209.7 ms (Link to these results)

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