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Serine/threonine-protein kinase 25

Oxidant stress-activated serine/threonine kinase that may play a role in the response to environmental stress. Targets to the Golgi apparatus where it appears to regulate protein transport events, cell adhesion, and polarity complexes important for cell migration. Part of the striatin-interacting phosphatase and kinase (STRIPAK) complexes. STRIPAK complexes have critical roles in protein (de)phosphorylation and are regulators of multiple signaling pathways including Hippo, MAPK, nuclear receptor and cytoskeleton remodeling. Different types of STRIPAK complexes are involved in a variety of biological processes such as cell growth, differentiation, apoptosis, metabolism and immune regulation.

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 255 ms (Link to these results)