A0A077Z034_TRITR Loading...

HORMA domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z034, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 455 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
1M26.8Very low47.1Very low219 Ų219106.4 Ų106.4100%1.07953%0.53SS*.  0104.10-161.1172.985.300106.1V3M1-V3 HydrophobicContact CE-CG2 4.33Å; M1-V3 PolarHBondContact O-N 3.38Å
2E23.8Very low50.3Low192 Ų192106.6 Ų106.690%0.89754%0.542SS*.  trans-6695.4-180-71.4175.3166.500108.4R4E2-R4 VanDerWaalsContact C-N 3.35Å; E2-R4 PolarHBondContact O-N 2.91Å
3V26Very low53Low79 Ų79104.8 Ų104.848%0.47953%0.53SS..  trans-73.298.8176.4-177.20000106.3M1 T5 L127M1-V3 HydrophobicContact CE-CG2 4.33Å; M1-V3 PolarHBondContact O-N 3.38Å; V3-T5 PolarHBondContact O-N 3.34Å; V3-L127 HydrophobicContact CB-CD2 4.01Å; V3-L127 HydrophobicContact CG1-CD2 3.45Å; V3-L127 VanDerWaalsContact CG1-CD2 3.45Å
4R27.6Very low55.5Low221 Ų22197.3 Ų97.383%0.83449%0.492SS*.  trans-5589.8169-73.9177.4170.5165.5-3.6108E2 K130E2-R4 VanDerWaalsContact C-N 3.35Å; E2-R4 PolarHBondContact O-N 2.91Å; R4-K130 PolarHBondContact O-NZ 2.92Å
5T35.1Very low57.7Low54 Ų5492.2 Ų92.233%0.33147%0.467SS..  trans-55.8145.8169.428.70000108.8V3 L7 L127V3-T5 PolarHBondContact O-N 3.34Å; T5-L7 PolarHBondContact O-N 3.24Å; T5-L7 WeakPolarHBondContact OG1-CD1 3.02Å; T5-L7 WeakPolarHBondContact OG1-CG 3.14Å; T5-L127 HydrophobicContact CG2-CD2 4.25Å
6S44.4Very low59.5Low44 Ų4492.6 Ų92.631%0.30847%0.466SS..  trans-7873.915248.60000103.5A8 K130S6-A8 PolarHBondContact O-N 2.93Å; S6-K130 WeakPolarHBondContact OG-CE 3.34Å
7L50.8Low61.2Low100 Ų10088.5 Ų88.552%0.52444%0.444SS..  trans-60.792.8167.2-77.7140.7000104.1T5 N9T5-L7 PolarHBondContact O-N 3.24Å; T5-L7 WeakPolarHBondContact OG1-CD1 3.02Å; T5-L7 WeakPolarHBondContact OG1-CG 3.14Å; L7-N9 WeakPolarHBondContact CB-ND2 3.4Å; L7-N9 VanDerWaalsContact CB-OD1 3.31Å; L7-N9 WeakPolarHBondContact CB-OD1 3.43Å; L7-N9 WeakPolarHBondContact CD2-OD1 3.42Å; L7-N9 PolarHBondContact O-N 3.02Å; L7-N9 VanDerWaalsContact O-N 3.11Å
8A54.5Low62.9Low13 Ų1383.7 Ų83.711%0.10742%0.42CS..  trans-73.586146.800000104.2S6 D10 E13 T205S6-A8 PolarHBondContact O-N 2.93Å; A8-D10 PolarHBondContact O-N 2.78Å; A8-E13 WeakPolarHBondContact CA-OE2 3.47Å; A8-E13 HydrophobicContact CB-CB 3.86Å; A8-T205 HydrophobicContact CB-CG2 4.39Å
9N65Low64.4Low102 Ų10281 Ų8155%0.54541%0.405SS..  trans-62.9-27.3179.2-68.4-61.1000110.6L7 E13L7-N9 WeakPolarHBondContact CB-ND2 3.4Å; L7-N9 VanDerWaalsContact CB-OD1 3.31Å; L7-N9 WeakPolarHBondContact CB-OD1 3.43Å; L7-N9 WeakPolarHBondContact CD2-OD1 3.42Å; L7-N9 PolarHBondContact O-N 3.02Å; L7-N9 VanDerWaalsContact O-N 3.11Å; N9-E13 WeakPolarHBondContact CB-OE2 3.1Å; N9-E13 PolarHBondContact N-OE2 2.75Å; N9-E13 PolarHBondContact ND2-OE2 2.82Å
10D81.2Confident65.7Low71 Ų7177.6 Ų77.638%0.3839%0.389SS..SBendtrans-133.1171.9179.367.346.8000112.4A8 T12 E13 S14 F207A8-D10 PolarHBondContact O-N 2.78Å; D10-T12 PolarHBondContact O-N 3.22Å; D10-T12 WeakPolarHBondContact OD1-CA 3.1Å; D10-T12 WeakPolarHBondContact OD1-CB 3.47Å; D10-T12 PolarHBondContact OD1-N 3.19Å; D10-E13 PolarHBondContact OD1-N 2.93Å; D10-S14 PolarHBondContact O-N 3.24Å; D10-S14 VanDerWaalsContact O-N 3.17Å; D10-F207 WeakPolarHBondContact O-CE2 3.41Å
11Q83.3Confident67Low75 Ų7573.9 Ų73.935%0.3537%0.37SS..Hα-helixtrans-62.1-31.7-179.6-170.7174.55.500112.5S14 I15 Q78 F207Q11-S14 WeakPolarHBondContact O-CB 3.47Å; Q11-S14 PolarHBondContact O-N 3.03Å; Q11-I15 HydrophobicContact CG-CD1 4.42Å; Q11-I15 WeakPolarHBondContact O-CG1 3.31Å; Q11-I15 PolarHBondContact O-N 2.58Å; Q11-Q78 VanDerWaalsContact NE2-NE2 3.14Å; Q11-F207 HydrophobicContact CB-CD1 3.79Å; Q11-F207 HydrophobicContact CB-CE1 4.07Å; Q11-F207 HydrophobicContact CB-CG 4.09Å; Q11-F207 HydrophobicContact CG-CB 4.34Å; Q11-F207 HydrophobicContact CG-CD1 4.14Å; Q11-F207 HydrophobicContact CG-CG 4.35Å
12T85.1Confident70.3Confident109 Ų10963.4 Ų63.467%0.66932%0.319SS*.Hα-helixtrans-69.8-48.8-178.2-51.40000110.8D10 S14 I15 H16D10-T12 PolarHBondContact O-N 3.22Å; D10-T12 WeakPolarHBondContact OD1-CA 3.1Å; D10-T12 WeakPolarHBondContact OD1-CB 3.47Å; D10-T12 PolarHBondContact OD1-N 3.19Å; T12-S14 PolarHBondContact O-N 2.94Å; T12-I15 PolarHBondContact O-N 3Å; T12-H16 PolarHBondContact O-N 2.66Å
13E85.8Confident73.7Confident83 Ų8354.4 Ų54.439%0.38828%0.277SS..Hα-helixtrans-60.1-35.4174.4-70.7-176.1148.800110.9A8 N9 D10 H16 Y17A8-E13 WeakPolarHBondContact CA-OE2 3.47Å; A8-E13 HydrophobicContact CB-CB 3.86Å; N9-E13 WeakPolarHBondContact CB-OE2 3.1Å; N9-E13 PolarHBondContact N-OE2 2.75Å; N9-E13 PolarHBondContact ND2-OE2 2.82Å; D10-E13 PolarHBondContact OD1-N 2.93Å; E13-H16 PolarHBondContact O-N 3.16Å; E13-Y17 WeakPolarHBondContact O-CB 2.93Å; E13-Y17 PolarHBondContact O-N 3.29Å
14S87.2Confident76.9Confident0 Ų050.7 Ų50.70%025%0.254CS..Hα-helixtrans-67.8-42.3176.3-1780000113D10 Q11 T12 H16 Y17 V18 T205 H208D10-S14 PolarHBondContact O-N 3.24Å; D10-S14 VanDerWaalsContact O-N 3.17Å; Q11-S14 WeakPolarHBondContact O-CB 3.47Å; Q11-S14 PolarHBondContact O-N 3.03Å; T12-S14 PolarHBondContact O-N 2.94Å; S14-H16 VanDerWaalsContact C-N 3.3Å; S14-Y17 PolarHBondContact O-N 3.49Å; S14-V18 WeakPolarHBondContact O-CG2 3.43Å; S14-V18 PolarHBondContact O-N 3.37Å; S14-T205 WeakPolarHBondContact OG-CB 3.46Å; S14-T205 WeakPolarHBondContact OG-CG2 3.3Å; S14-T205 PolarHBondContact OG-OG1 2.87Å; S14-H208 WeakPolarHBondContact CB-ND1 3.36Å; S14-H208 PolarHBondContact OG-ND1 2.96Å
15I88.6Confident80.2Confident21 Ų2140.1 Ų40.111%0.10822%0.215CC..Hα-helixtrans-61.8-44.2175.5-74.4171.4000109.5Q11 T12 Y17 V18 K19 I75 H208Q11-I15 HydrophobicContact CG-CD1 4.42Å; Q11-I15 WeakPolarHBondContact O-CG1 3.31Å; Q11-I15 PolarHBondContact O-N 2.58Å; T12-I15 PolarHBondContact O-N 3Å; I15-Y17 VanDerWaalsContact C-N 3.33Å; I15-Y17 PolarHBondContact O-N 2.96Å; I15-V18 PolarHBondContact O-N 3.18Å; I15-K19 HydrophobicContact CG2-CD 3.93Å; I15-K19 HydrophobicContact CG2-CG 4.41Å; I15-K19 WeakPolarHBondContact O-CG 3.25Å; I15-K19 PolarHBondContact O-N 2.66Å; I15-I75 HydrophobicContact CG2-CG2 4.05Å; I15-H208 WeakPolarHBondContact CG1-CE1 3.41Å; I15-H208 WeakPolarHBondContact CG1-NE2 3.44Å
16H86.7Confident83.1Confident99 Ų9937.8 Ų37.846%0.45820%0.2SC..Hα-helixtrans-59.8-42.9177.1-177.8-87.5000112T12 E13 S14 K19 T20 F315T12-H16 PolarHBondContact O-N 2.66Å; E13-H16 PolarHBondContact O-N 3.16Å; S14-H16 VanDerWaalsContact C-N 3.3Å; H16-K19 PolarHBondContact O-N 2.67Å; H16-T20 PolarHBondContact CE1-OG1 2.8Å; H16-T20 VanDerWaalsContact O-CB 3.3Å; H16-T20 WeakPolarHBondContact O-CB 2.82Å; H16-T20 PolarHBondContact O-N 2.92Å; H16-T20 PolarHBondContact O-OG1 3.34Å; H16-F315 AromaticContact CE1-CE1 3.64Å; H16-F315 AromaticContact NE2-CD1 3.43Å; H16-F315 WeakPolarHBondContact NE2-CD1 3.25Å; H16-F315 AromaticContact NE2-CE1 3.26Å; H16-F315 VanDerWaalsContact NE2-CE1 3.26Å; H16-F315 WeakPolarHBondContact NE2-CE1 3.39Å
17Y89.2Confident85.5Confident22 Ų2235.9 Ų35.99%0.08619%0.186CC..Hα-helixtrans-58.6-49.8174.9175.3-94.1000111.9E13 S14 I15 K19 T20 F21 Y46 V203 T205E13-Y17 WeakPolarHBondContact O-CB 2.93Å; E13-Y17 PolarHBondContact O-N 3.29Å; S14-Y17 PolarHBondContact O-N 3.49Å; I15-Y17 VanDerWaalsContact C-N 3.33Å; I15-Y17 PolarHBondContact O-N 2.96Å; Y17-K19 PolarHBondContact O-N 3.1Å; Y17-T20 PolarHBondContact O-N 2.56Å; Y17-F21 WeakPolarHBondContact O-CB 3.43Å; Y17-F21 PolarHBondContact O-N 3.15Å; Y17-Y46 WeakPolarHBondContact CE2-OH 3.25Å; Y17-V203 HydrophobicContact CE1-CB 4.16Å; Y17-V203 HydrophobicContact CE1-CG2 3.96Å; Y17-T205 HydrophobicContact CD1-CG2 3.9Å; Y17-T205 HydrophobicContact CE1-CG2 4.38Å
18V90.3Very high87.7Confident2 Ų231.2 Ų31.21%0.01216%0.162CC..Hα-helixtrans-58.4-49179169.20000111.1S14 I15 T20 F21 I22 I105 H208 L210S14-V18 WeakPolarHBondContact O-CG2 3.43Å; S14-V18 PolarHBondContact O-N 3.37Å; I15-V18 PolarHBondContact O-N 3.18Å; V18-T20 PolarHBondContact O-N 2.82Å; V18-F21 PolarHBondContact O-N 3.11Å; V18-I22 HydrophobicContact CG1-CD1 3.86Å; V18-I22 WeakPolarHBondContact O-CG1 3.33Å; V18-I22 PolarHBondContact O-N 3.03Å; V18-I105 HydrophobicContact CG1-CD1 4.47Å; V18-H208 HydrophobicContact CG2-CB 3.73Å; V18-L210 HydrophobicContact CG1-CD2 4.26Å
19K92.6Very high89.6Confident33 Ų3330.6 Ų30.614%0.14316%0.157CC..Hα-helixtrans-61.6-43.9178.5-71.5175.5169.6-170.10112.6I15 H16 Y17 F21 I22 A23 Y72 I75 D76I15-K19 HydrophobicContact CG2-CD 3.93Å; I15-K19 HydrophobicContact CG2-CG 4.41Å; I15-K19 WeakPolarHBondContact O-CG 3.25Å; I15-K19 PolarHBondContact O-N 2.66Å; H16-K19 PolarHBondContact O-N 2.67Å; Y17-K19 PolarHBondContact O-N 3.1Å; K19-F21 VanDerWaalsContact C-N 3.33Å; K19-F21 PolarHBondContact O-N 2.93Å; K19-I22 PolarHBondContact O-N 2.74Å; K19-A23 WeakPolarHBondContact O-CB 3.4Å; K19-A23 PolarHBondContact O-N 3.3Å; K19-Y72 HydrophobicContact CB-CD1 4.19Å; K19-Y72 HydrophobicContact CB-CE1 4.29Å; K19-Y72 HydrophobicContact CD-CD1 4.3Å; K19-Y72 HydrophobicContact CD-CG 4.27Å; K19-Y72 WeakPolarHBondContact CE-O 3.41Å; K19-Y72 HydrophobicContact CG-CD1 3.83Å; K19-Y72 HydrophobicContact CG-CE1 4.38Å; K19-Y72 HydrophobicContact CG-CG 4.31Å; K19-Y72 PolarHBondContact NZ-O 2.67Å; K19-Y72 VanDerWaalsContact NZ-O 3.12Å; K19-I75 HydrophobicContact CG-CD1 4.15Å; K19-I75 HydrophobicContact CG-CG2 4.22Å; K19-D76 WeakPolarHBondContact CE-OD1 3.3Å; K19-D76 IonicContact NZ-OD1 2.93Å; K19-D76 PolarHBondContact NZ-OD1 2.58Å; K19-D76 IonicContact NZ-OD2 2.66Å; K19-D76 PolarHBondContact NZ-OD2 3.08Å
20T90.5Very high91Very high12 Ų1225.7 Ų25.77%0.07413%0.131CC..Hα-helixtrans-61.4-44.5177.8-60.50000110.7H16 Y17 V18 A23 L24 F315H16-T20 PolarHBondContact CE1-OG1 2.8Å; H16-T20 VanDerWaalsContact O-CB 3.3Å; H16-T20 WeakPolarHBondContact O-CB 2.82Å; H16-T20 PolarHBondContact O-N 2.92Å; H16-T20 PolarHBondContact O-OG1 3.34Å; Y17-T20 PolarHBondContact O-N 2.56Å; V18-T20 PolarHBondContact O-N 2.82Å; T20-A23 WeakPolarHBondContact O-CB 3.35Å; T20-A23 PolarHBondContact O-N 3.32Å; T20-L24 HydrophobicContact CG2-CD1 4.15Å; T20-L24 WeakPolarHBondContact O-CG 3.31Å; T20-L24 PolarHBondContact O-N 2.96Å; T20-F315 HydrophobicContact CG2-CZ 4.06Å
21F92.9Very high91.6Very high0 Ų024.1 Ų24.10%012%0.12CC..Hα-helixtrans-66.5-41.9179.5-172.7-103.4000112.6Y17 V18 K19 A23 L24 A25 A133 I136 L137 V203 L210 V212Y17-F21 WeakPolarHBondContact O-CB 3.43Å; Y17-F21 PolarHBondContact O-N 3.15Å; V18-F21 PolarHBondContact O-N 3.11Å; K19-F21 VanDerWaalsContact C-N 3.33Å; K19-F21 PolarHBondContact O-N 2.93Å; F21-A23 VanDerWaalsContact C-N 3.31Å; F21-A23 PolarHBondContact O-N 3.24Å; F21-L24 PolarHBondContact O-N 3.36Å; F21-A25 WeakPolarHBondContact O-CB 3.45Å; F21-A25 PolarHBondContact O-N 3.45Å; F21-A133 HydrophobicContact CD2-CB 4Å; F21-A133 HydrophobicContact CE2-CB 3.6Å; F21-A133 WeakPolarHBondContact CE2-O 3Å; F21-A133 HydrophobicContact CZ-CB 4.37Å; F21-I136 HydrophobicContact CE1-CD1 4.48Å; F21-I136 HydrophobicContact CE1-CG2 4.23Å; F21-I136 HydrophobicContact CZ-CB 3.91Å; F21-I136 HydrophobicContact CZ-CD1 4.15Å; F21-I136 HydrophobicContact CZ-CG2 3.75Å; F21-L137 HydrophobicContact CE2-CD1 4.05Å; F21-L137 HydrophobicContact CE2-CD2 4.31Å; F21-L137 HydrophobicContact CE2-CG 3.88Å; F21-L137 HydrophobicContact CZ-CG 4.41Å; F21-V203 HydrophobicContact CD1-CG2 4.11Å; F21-V203 HydrophobicContact CE1-CG1 4.46Å; F21-V203 HydrophobicContact CE1-CG2 4.25Å; F21-V203 HydrophobicContact CZ-CG1 4.37Å; F21-L210 HydrophobicContact CD1-CD2 3.54Å; F21-L210 HydrophobicContact CE1-CD2 4.26Å; F21-L210 HydrophobicContact CG-CD2 4.5Å; F21-V212 HydrophobicContact CE1-CG2 3.98Å
22I95.9Very high92.2Very high0 Ų023 Ų230%011%0.113CC..Hα-helixtrans-58.4-44.7173.2-69.2167.4000110.6V18 K19 L24 A25 I26 M68 Y72 I75 I83 F103 I105 L210V18-I22 HydrophobicContact CG1-CD1 3.86Å; V18-I22 WeakPolarHBondContact O-CG1 3.33Å; V18-I22 PolarHBondContact O-N 3.03Å; K19-I22 PolarHBondContact O-N 2.74Å; I22-L24 PolarHBondContact O-N 3.39Å; I22-A25 PolarHBondContact O-N 3.5Å; I22-I26 HydrophobicContact CG2-CD1 3.79Å; I22-I26 HydrophobicContact CG2-CG1 4.46Å; I22-I26 WeakPolarHBondContact O-CB 3.07Å; I22-I26 WeakPolarHBondContact O-CG1 3.41Å; I22-I26 PolarHBondContact O-N 2.87Å; I22-M68 HydrophobicContact CG2-CE 3.71Å; I22-Y72 HydrophobicContact CG2-CE1 4.39Å; I22-I75 HydrophobicContact CD1-CD1 3.74Å; I22-I83 HydrophobicContact CD1-CD1 4.11Å; I22-I83 HydrophobicContact CG2-CD1 3.95Å; I22-F103 HydrophobicContact CG1-CD1 4.25Å; I22-I105 HydrophobicContact CD1-CD1 3.93Å; I22-L210 HydrophobicContact CD1-CD1 4.44Å; I22-L210 HydrophobicContact CD1-CD2 4.21Å; I22-L210 HydrophobicContact CG1-CD1 4.38Å; I22-L210 HydrophobicContact CG1-CD2 3.66Å
23A94.6Very high92.5Very high3 Ų318.5 Ų18.53%0.0258%0.084CC..Hα-helixtrans-59.9-44.6177.900000112.5K19 T20 F21 S27 Y72 F314K19-A23 WeakPolarHBondContact O-CB 3.4Å; K19-A23 PolarHBondContact O-N 3.3Å; T20-A23 WeakPolarHBondContact O-CB 3.35Å; T20-A23 PolarHBondContact O-N 3.32Å; F21-A23 VanDerWaalsContact C-N 3.31Å; F21-A23 PolarHBondContact O-N 3.24Å; A23-S27 VanDerWaalsContact O-CB 3.23Å; A23-S27 WeakPolarHBondContact O-CB 3.43Å; A23-S27 PolarHBondContact O-N 2.84Å; A23-S27 PolarHBondContact O-OG 2.83Å; A23-Y72 WeakPolarHBondContact CB-OH 3.44Å; A23-F314 HydrophobicContact CB-CD1 3.92Å; A23-F314 HydrophobicContact CB-CE1 3.23Å; A23-F314 HydrophobicContact CB-CE2 4.47Å; A23-F314 HydrophobicContact CB-CZ 3.57Å
24L94.4Very high92.7Very high0 Ų018.8 Ų18.80%08%0.084CC..Hα-helixtrans-66.7-42.6177.9-70.2172.7000111.8T20 F21 I22 S27 S28 Y44 Y46 L51 I53 L137T20-L24 HydrophobicContact CG2-CD1 4.15Å; T20-L24 WeakPolarHBondContact O-CG 3.31Å; T20-L24 PolarHBondContact O-N 2.96Å; F21-L24 PolarHBondContact O-N 3.36Å; I22-L24 PolarHBondContact O-N 3.39Å; L24-S27 PolarHBondContact O-N 3.14Å; L24-S28 VanDerWaalsContact O-CB 3.29Å; L24-S28 WeakPolarHBondContact O-CB 3.43Å; L24-S28 PolarHBondContact O-N 2.85Å; L24-S28 PolarHBondContact O-OG 3.5Å; L24-Y44 HydrophobicContact CD1-CE1 4.18Å; L24-Y44 HydrophobicContact CD2-CD1 3.59Å; L24-Y44 HydrophobicContact CD2-CE1 3.93Å; L24-Y44 HydrophobicContact CD2-CG 4.26Å; L24-Y46 HydrophobicContact CD1-CD1 4.2Å; L24-Y46 HydrophobicContact CD1-CD2 3.52Å; L24-Y46 HydrophobicContact CD1-CE1 4.49Å; L24-Y46 HydrophobicContact CD1-CE2 3.85Å; L24-Y46 HydrophobicContact CD1-CG 3.69Å; L24-L51 HydrophobicContact CD1-CD1 4.42Å; L24-L51 HydrophobicContact CD2-CD1 4.24Å; L24-I53 HydrophobicContact CD2-CD1 4.15Å; L24-L137 HydrophobicContact CB-CD2 4.32Å
25A95.9Very high92.8Very high0 Ų019 Ų190%09%0.085CC..Hα-helixtrans-63.7-49178.200000111.5F21 I22 S27 S28 I29 F103 L137 I140F21-A25 WeakPolarHBondContact O-CB 3.45Å; F21-A25 PolarHBondContact O-N 3.45Å; I22-A25 PolarHBondContact O-N 3.5Å; A25-S27 PolarHBondContact O-N 2.77Å; A25-S28 WeakPolarHBondContact O-CB 3.47Å; A25-S28 PolarHBondContact O-N 3.16Å; A25-I29 WeakPolarHBondContact O-CD1 3.5Å; A25-I29 VanDerWaalsContact O-CG1 3.28Å; A25-I29 WeakPolarHBondContact O-CG1 3.19Å; A25-I29 PolarHBondContact O-N 3.27Å; A25-F103 HydrophobicContact CB-CE1 3.53Å; A25-F103 HydrophobicContact CB-CZ 3.88Å; A25-L137 HydrophobicContact CB-CD2 4.31Å; A25-I140 HydrophobicContact CB-CD1 3.78Å
26I96.2Very high92.8Very high5 Ų518.3 Ų18.33%0.0268%0.081CC..Hα-helixtrans-63.5-41.4176.9-71.3175.4000111.3I22 S28 I29 C30 L64 M68 F85 F103I22-I26 HydrophobicContact CG2-CD1 3.79Å; I22-I26 HydrophobicContact CG2-CG1 4.46Å; I22-I26 WeakPolarHBondContact O-CB 3.07Å; I22-I26 WeakPolarHBondContact O-CG1 3.41Å; I22-I26 PolarHBondContact O-N 2.87Å; I26-S28 VanDerWaalsContact C-N 3.32Å; I26-S28 PolarHBondContact O-N 2.87Å; I26-I29 PolarHBondContact O-N 3.43Å; I26-C30 VanDerWaalsContact O-CB 3.31Å; I26-C30 WeakPolarHBondContact O-CB 3.27Å; I26-C30 PolarHBondContact O-N 3.33Å; I26-C30 PolarHBondContact O-SG 3.4Å; I26-L64 HydrophobicContact CG2-CD2 4.24Å; I26-M68 HydrophobicContact CD1-CE 3.39Å; I26-M68 HydrophobicContact CD1-SD 3.46Å; I26-M68 WeakPolarHBondContact CD1-SD 3.04Å; I26-F85 HydrophobicContact CD1-CD2 4.2Å; I26-F85 HydrophobicContact CG1-CD2 4.16Å; I26-F85 HydrophobicContact CG2-CD2 3.87Å; I26-F85 HydrophobicContact CG2-CE2 3.64Å; I26-F85 HydrophobicContact CG2-CZ 4.39Å; I26-F103 HydrophobicContact CD1-CE2 4.27Å; I26-F103 HydrophobicContact CG1-CE2 3.87Å; I26-F103 HydrophobicContact CG1-CZ 3.82Å
27S95.7Very high92.8Very high3 Ų313.9 Ų13.92%0.0216%0.061CC..Hα-helixtrans-61.7-41.3175.1-620000111.9A23 L24 A25 C30 Y31 K52 L54A23-S27 VanDerWaalsContact O-CB 3.23Å; A23-S27 WeakPolarHBondContact O-CB 3.43Å; A23-S27 PolarHBondContact O-N 2.84Å; A23-S27 PolarHBondContact O-OG 2.83Å; L24-S27 PolarHBondContact O-N 3.14Å; A25-S27 PolarHBondContact O-N 2.77Å; S27-C30 WeakPolarHBondContact O-CB 3.45Å; S27-C30 PolarHBondContact O-N 3.07Å; S27-Y31 VanDerWaalsContact O-CB 3.31Å; S27-Y31 WeakPolarHBondContact O-CB 3.28Å; S27-Y31 PolarHBondContact O-N 3.44Å; S27-K52 WeakPolarHBondContact CB-O 3.27Å; S27-L54 PolarHBondContact OG-N 2.89Å
28S95.6Very high92.8Very high2 Ų215.8 Ų15.81%0.0148%0.075CC..Hα-helixtrans-64.1-45176.5-61.10000111.4L24 A25 I26 Y31 Y32L24-S28 VanDerWaalsContact O-CB 3.29Å; L24-S28 WeakPolarHBondContact O-CB 3.43Å; L24-S28 PolarHBondContact O-N 2.85Å; L24-S28 PolarHBondContact O-OG 3.5Å; A25-S28 WeakPolarHBondContact O-CB 3.47Å; A25-S28 PolarHBondContact O-N 3.16Å; I26-S28 VanDerWaalsContact C-N 3.32Å; I26-S28 PolarHBondContact O-N 2.87Å; S28-Y31 PolarHBondContact O-N 3.2Å; S28-Y32 WeakPolarHBondContact O-CB 3.38Å; S28-Y32 WeakPolarHBondContact O-CD2 3.06Å; S28-Y32 PolarHBondContact O-N 2.9Å
29I95.5Very high92.8Very high0 Ų018.8 Ų18.80%09%0.091CC..Hα-helixtrans-57.2-52173.9-68.2159.5000109.7A25 I26 Y31 Y32 R33 F85 Y101 F103 I140A25-I29 WeakPolarHBondContact O-CD1 3.5Å; A25-I29 VanDerWaalsContact O-CG1 3.28Å; A25-I29 WeakPolarHBondContact O-CG1 3.19Å; A25-I29 PolarHBondContact O-N 3.27Å; I26-I29 PolarHBondContact O-N 3.43Å; I29-Y31 VanDerWaalsContact C-N 3.29Å; I29-Y31 PolarHBondContact O-N 3.03Å; I29-Y32 PolarHBondContact O-N 3.15Å; I29-R33 HydrophobicContact CG2-CG 4.16Å; I29-R33 WeakPolarHBondContact O-CB 3.47Å; I29-R33 VanDerWaalsContact O-CG 3.32Å; I29-R33 WeakPolarHBondContact O-CG 3.29Å; I29-R33 PolarHBondContact O-N 2.88Å; I29-F85 HydrophobicContact CG2-CD1 4.06Å; I29-F85 HydrophobicContact CG2-CE1 3.73Å; I29-Y101 HydrophobicContact CD1-CD1 3.49Å; I29-Y101 VanDerWaalsContact CD1-CD1 3.49Å; I29-Y101 HydrophobicContact CD1-CD2 4Å; I29-Y101 HydrophobicContact CD1-CE1 4.02Å; I29-Y101 HydrophobicContact CD1-CE2 4.48Å; I29-Y101 HydrophobicContact CD1-CG 3.46Å; I29-Y101 VanDerWaalsContact CD1-CG 3.46Å; I29-Y101 HydrophobicContact CG1-CD1 3.83Å; I29-Y101 HydrophobicContact CG1-CD2 4.4Å; I29-Y101 HydrophobicContact CG1-CE1 3.81Å; I29-Y101 HydrophobicContact CG1-CE2 4.39Å; I29-Y101 HydrophobicContact CG1-CG 4.12Å; I29-Y101 HydrophobicContact CG2-CD2 3.79Å; I29-Y101 HydrophobicContact CG2-CE1 4.26Å; I29-Y101 HydrophobicContact CG2-CE2 3.41Å; I29-Y101 VanDerWaalsContact CG2-CE2 3.41Å; I29-Y101 HydrophobicContact CG2-CG 4.35Å; I29-F103 HydrophobicContact CD1-CE2 4.45Å; I29-F103 HydrophobicContact CD1-CZ 3.97Å; I29-I140 HydrophobicContact CG1-CG2 3.69Å
30C94.1Very high92.6Very high0 Ų017.2 Ų17.20%08%0.084CC..Hα-helixtrans-56.2-42.9179.1-73.50000112.9I26 S27 K34 L35 F36 Y41I26-C30 VanDerWaalsContact O-CB 3.31Å; I26-C30 WeakPolarHBondContact O-CB 3.27Å; I26-C30 PolarHBondContact O-N 3.33Å; I26-C30 PolarHBondContact O-SG 3.4Å; S27-C30 WeakPolarHBondContact O-CB 3.45Å; S27-C30 PolarHBondContact O-N 3.07Å; C30-K34 PolarHBondContact O-N 2.77Å; C30-L35 PolarHBondContact O-N 2.92Å; C30-F36 HydrophobicContact CB-CD2 3.89Å; C30-F36 HydrophobicContact CB-CE2 4.24Å; C30-Y41 HydrophobicContact CB-CE1 4.33Å; C30-Y41 VanDerWaalsContact CB-OH 3.28Å; C30-Y41 WeakPolarHBondContact CB-OH 3.28Å; C30-Y41 PolarHBondContact O-OH 2.83Å; C30-Y41 VanDerWaalsContact O-OH 3.05Å
31Y94.7Very high92.7Very high37 Ų3717.2 Ų17.215%0.1458%0.083CC..Hα-helixtrans-68.7-53.5-179.4-177.6-105.6000111.3S27 S28 I29 K34 Y41 K52S27-Y31 VanDerWaalsContact O-CB 3.31Å; S27-Y31 WeakPolarHBondContact O-CB 3.28Å; S27-Y31 PolarHBondContact O-N 3.44Å; S28-Y31 PolarHBondContact O-N 3.2Å; I29-Y31 VanDerWaalsContact C-N 3.29Å; I29-Y31 PolarHBondContact O-N 3.03Å; Y31-K34 PolarHBondContact O-N 3.07Å; Y31-K34 VanDerWaalsContact O-N 3.09Å; Y31-Y41 WeakPolarHBondContact CA-OH 3.48Å; Y31-Y41 HydrophobicContact CD2-CD1 4.13Å; Y31-Y41 AromaticContact CD2-CD2 3.9Å; Y31-Y41 HydrophobicContact CD2-CD2 3.9Å; Y31-Y41 HydrophobicContact CD2-CE1 4.21Å; Y31-Y41 AromaticContact CD2-CE2 3.96Å; Y31-Y41 HydrophobicContact CD2-CE2 3.96Å; Y31-Y41 AromaticContact CD2-CG 3.97Å; Y31-Y41 HydrophobicContact CD2-CG 3.97Å; Y31-Y41 HydrophobicContact CG-CE1 4.47Å; Y31-Y41 PolarHBondContact N-OH 2.94Å; Y31-Y41 VanDerWaalsContact N-OH 3.11Å; Y31-K52 HydrophobicContact CD1-CB 4.15Å; Y31-K52 HydrophobicContact CD1-CG 4.03Å; Y31-K52 HydrophobicContact CD2-CB 3.87Å; Y31-K52 HydrophobicContact CD2-CG 3.87Å; Y31-K52 HydrophobicContact CE1-CB 4.49Å; Y31-K52 HydrophobicContact CE1-CG 3.87Å; Y31-K52 HydrophobicContact CE2-CB 4.25Å; Y31-K52 HydrophobicContact CE2-CD 4.32Å; Y31-K52 HydrophobicContact CE2-CG 3.72Å; Y31-K52 HydrophobicContact CG-CB 3.83Å; Y31-K52 HydrophobicContact CG-CG 4.03Å
32Y94Very high92.7Very high52 Ų5218.9 Ų18.920%0.2049%0.091CC..Hα-helixtrans-72.8-30.4-175.7-66.6-58.1000113.4S28 I29 K34 R141 C144S28-Y32 WeakPolarHBondContact O-CB 3.38Å; S28-Y32 WeakPolarHBondContact O-CD2 3.06Å; S28-Y32 PolarHBondContact O-N 2.9Å; I29-Y32 PolarHBondContact O-N 3.15Å; Y32-K34 PolarHBondContact O-N 2.74Å; Y32-R141 HydrophobicContact CD1-CG 4.24Å; Y32-R141 HydrophobicContact CD2-CB 3.99Å; Y32-R141 HydrophobicContact CD2-CG 4.25Å; Y32-R141 HydrophobicContact CE1-CB 4.47Å; Y32-R141 HydrophobicContact CE1-CG 3.76Å; Y32-R141 HydrophobicContact CE2-CB 3.55Å; Y32-R141 HydrophobicContact CE2-CG 3.77Å; Y32-R141 HydrophobicContact CG-CG 4.48Å; Y32-R141 WeakPolarHBondContact OH-CD 3.07Å; Y32-C144 VanDerWaalsContact CB-CB 3.44Å; Y32-C144 HydrophobicContact CG-CB 4.45Å
33R92Very high92.5Very high15 Ų1523.8 Ų23.86%0.05712%0.117CC..THydrogen-bonded Turntrans-81-2.7171-62.1-64.6-72139.9-9.8113.2I29 L35 D99 Y101 C144 E148 L150I29-R33 HydrophobicContact CG2-CG 4.16Å; I29-R33 WeakPolarHBondContact O-CB 3.47Å; I29-R33 VanDerWaalsContact O-CG 3.32Å; I29-R33 WeakPolarHBondContact O-CG 3.29Å; I29-R33 PolarHBondContact O-N 2.88Å; R33-L35 VanDerWaalsContact C-N 3.26Å; R33-L35 HydrophobicContact CB-CD1 4.31Å; R33-L35 HydrophobicContact CB-CD2 4.35Å; R33-L35 HydrophobicContact CB-CG 3.93Å; R33-L35 PolarHBondContact O-N 2.81Å; R33-D99 IonicContact CZ-OD1 3.4Å; R33-D99 IonicContact NE-OD1 2.86Å; R33-D99 IonicContact NE-OD2 2.63Å; R33-D99 IonicContact NH2-OD1 2.58Å; R33-D99 PolarHBondContact NH2-OD1 2.83Å; R33-Y101 WeakPolarHBondContact CD-OH 3.31Å; R33-C144 HydrophobicContact CG-CB 4.26Å; R33-E148 PolarHBondContact NH1-O 2.67Å; R33-E148 PolarHBondContact NH2-O 2.81Å; R33-E148 VanDerWaalsContact NH2-O 3.12Å; R33-L150 HydrophobicContact CB-CD1 4.21Å; R33-L150 VanDerWaalsContact NH2-CG 3.3Å
34K90.8Very high92.3Very high88 Ų8826.1 Ų26.138%0.38313%0.125SC..THydrogen-bonded Turntrans57.936.1177.9-48.3-177.1-178.6171.10113.2C30 Y31 Y32 F36 Y251C30-K34 PolarHBondContact O-N 2.77Å; Y31-K34 PolarHBondContact O-N 3.07Å; Y31-K34 VanDerWaalsContact O-N 3.09Å; Y32-K34 PolarHBondContact O-N 2.74Å; K34-F36 VanDerWaalsContact C-N 3.26Å; K34-F36 PolarHBondContact O-N 3.35Å; K34-Y251 HydrophobicContact CB-CD1 4.3Å; K34-Y251 HydrophobicContact CB-CE1 3.71Å; K34-Y251 HydrophobicContact CD-CE1 4.05Å; K34-Y251 HydrophobicContact CG-CE1 3.66Å
35L88.9Confident92Very high4 Ų432.8 Ų32.82%0.02116%0.156CC..  trans-70.3-28.3-179.9-62177.1000111.8C30 R33 F85 V87 L150 I156 C258C30-L35 PolarHBondContact O-N 2.92Å; R33-L35 VanDerWaalsContact C-N 3.26Å; R33-L35 HydrophobicContact CB-CD1 4.31Å; R33-L35 HydrophobicContact CB-CD2 4.35Å; R33-L35 HydrophobicContact CB-CG 3.93Å; R33-L35 PolarHBondContact O-N 2.81Å; L35-F85 HydrophobicContact CD1-CE1 3.88Å; L35-F85 HydrophobicContact CD1-CZ 3.89Å; L35-V87 HydrophobicContact CD1-CG2 4.01Å; L35-V87 HydrophobicContact CD2-CG1 4.05Å; L35-L150 HydrophobicContact CD2-CD1 3.36Å; L35-L150 HydrophobicContact CG-CD1 4.47Å; L35-I156 HydrophobicContact CB-CD1 4.26Å; L35-I156 HydrophobicContact CD1-CD1 3.86Å; L35-I156 HydrophobicContact CD1-CG1 3.88Å; L35-C258 WeakPolarHBondContact O-CB 3.43Å
36F88.6Confident91.4Very high7 Ų733.9 Ų33.93%0.03116%0.161CC..SBendtrans-128.3156.5178.8-62.7-80.5000111.3C30 K34 V40 Y41 L54 N60 A61 L64 I156C30-F36 HydrophobicContact CB-CD2 3.89Å; C30-F36 HydrophobicContact CB-CE2 4.24Å; K34-F36 VanDerWaalsContact C-N 3.26Å; K34-F36 PolarHBondContact O-N 3.35Å; F36-V40 HydrophobicContact CB-CG2 3.48Å; F36-V40 VanDerWaalsContact CB-CG2 3.48Å; F36-V40 HydrophobicContact CG-CG2 4.24Å; F36-Y41 HydrophobicContact CB-CE2 3.94Å; F36-Y41 WeakPolarHBondContact CB-OH 3.37Å; F36-L54 HydrophobicContact CB-CD1 4.12Å; F36-L54 HydrophobicContact CD2-CD1 3.88Å; F36-L54 HydrophobicContact CD2-CD2 4.26Å; F36-L54 HydrophobicContact CE2-CD1 4.49Å; F36-L54 HydrophobicContact CE2-CD2 4.08Å; F36-L54 HydrophobicContact CG-CD1 4.02Å; F36-N60 HydrophobicContact CD1-CB 4.47Å; F36-N60 VanDerWaalsContact CE1-C 3.47Å; F36-N60 HydrophobicContact CE1-CB 3.86Å; F36-N60 WeakPolarHBondContact CE1-O 3.46Å; F36-A61 HydrophobicContact CD1-CB 4.07Å; F36-A61 HydrophobicContact CE1-CB 4.16Å; F36-L64 HydrophobicContact CE2-CD2 3.59Å; F36-L64 HydrophobicContact CZ-CB 4.12Å; F36-L64 HydrophobicContact CZ-CD2 3.87Å; F36-I156 HydrophobicContact CE2-CD1 3.56Å; F36-I156 HydrophobicContact CZ-CD1 3.65Å
37P86.7Confident90.7Very high7 Ų736.9 Ų36.95%0.04518%0.175CC..  trans-71156.4178.432.2-34.2000110.7D39 V40 Y41 R58 S255P37-D39 WeakPolarHBondContact CB-OD1 3.39Å; P37-D39 WeakPolarHBondContact CG-OD1 3.42Å; P37-D39 PolarHBondContact O-N 3.35Å; P37-D39 VanDerWaalsContact O-N 3.16Å; P37-V40 HydrophobicContact CG-CG1 4.14Å; P37-V40 HydrophobicContact CG-CG2 4.29Å; P37-V40 WeakPolarHBondContact O-CG2 3.43Å; P37-V40 PolarHBondContact O-N 3.43Å; P37-Y41 VanDerWaalsContact O-CD2 3.28Å; P37-Y41 WeakPolarHBondContact O-CD2 3.25Å; P37-Y41 VanDerWaalsContact O-CE2 3.27Å; P37-Y41 WeakPolarHBondContact O-CE2 3.44Å; P37-R58 VanDerWaalsContact CG-CZ 3.42Å; P37-S255 WeakPolarHBondContact CB-OG 3.36Å; P37-S255 WeakPolarHBondContact CD-OG 3.48Å; P37-S255 WeakPolarHBondContact CG-OG 3.41Å
38V89.2Confident90Very high62 Ų6239.6 Ų39.638%0.37620%0.204SC..G310 helixtrans-63.3-26.6-172.6-177.20000113V40 Y41 Y251V38-V40 PolarHBondContact O-N 2.94Å; V38-Y41 PolarHBondContact O-N 3.2Å; V38-Y41 VanDerWaalsContact O-N 3.17Å; V38-Y251 HydrophobicContact CG2-CD1 3.9Å; V38-Y251 HydrophobicContact CG2-CD2 3.86Å; V38-Y251 HydrophobicContact CG2-CE1 3.94Å; V38-Y251 HydrophobicContact CG2-CE2 3.89Å; V38-Y251 HydrophobicContact CG2-CG 3.85Å
39D89.3Confident89.5Confident65 Ų6541 Ų4135%0.34822%0.215SC..G310 helixtrans-71.2-13.7-177.768-49.1000114.2P37 Y41 R57 R58P37-D39 WeakPolarHBondContact CB-OD1 3.39Å; P37-D39 WeakPolarHBondContact CG-OD1 3.42Å; P37-D39 PolarHBondContact O-N 3.35Å; P37-D39 VanDerWaalsContact O-N 3.16Å; D39-Y41 VanDerWaalsContact C-N 3.28Å; D39-R57 WeakPolarHBondContact O-CD 3.49Å; D39-R57 PolarHBondContact O-NH1 3.31Å; D39-R58 IonicContact OD1-CZ 3.97Å; D39-R58 IonicContact OD1-NE 3.87Å; D39-R58 PolarHBondContact OD1-NE 3.17Å; D39-R58 IonicContact OD1-NH1 3.69Å; D39-R58 IonicContact OD1-NH2 3.64Å; D39-R58 PolarHBondContact OD1-NH2 2.97Å; D39-R58 IonicContact OD2-CZ 2.67Å; D39-R58 IonicContact OD2-NE 3.83Å; D39-R58 PolarHBondContact OD2-NE 2.86Å; D39-R58 IonicContact OD2-NH2 2.69Å; D39-R58 PolarHBondContact OD2-NH2 3.33Å
40V89.3Confident89.3Confident0 Ų049.2 Ų49.20%025%0.251CS..G310 helixtrans-92.116.7172.4-55.20000112.9F36 P37 V38 L54 I55 R57 R58 A61F36-V40 HydrophobicContact CB-CG2 3.48Å; F36-V40 VanDerWaalsContact CB-CG2 3.48Å; F36-V40 HydrophobicContact CG-CG2 4.24Å; P37-V40 HydrophobicContact CG-CG1 4.14Å; P37-V40 HydrophobicContact CG-CG2 4.29Å; P37-V40 WeakPolarHBondContact O-CG2 3.43Å; P37-V40 PolarHBondContact O-N 3.43Å; V38-V40 PolarHBondContact O-N 2.94Å; V40-L54 HydrophobicContact CB-CD1 4.28Å; V40-L54 HydrophobicContact CG2-CD1 3.53Å; V40-I55 VanDerWaalsContact C-CG1 3.42Å; V40-I55 WeakPolarHBondContact O-CG1 3.32Å; V40-I55 PolarHBondContact O-N 3.31Å; V40-R57 HydrophobicContact CG1-CB 4.13Å; V40-R58 HydrophobicContact CG1-CB 3.74Å; V40-R58 HydrophobicContact CG1-CG 3.51Å; V40-A61 HydrophobicContact CB-CB 4.08Å; V40-A61 HydrophobicContact CG1-CB 4.16Å; V40-A61 HydrophobicContact CG2-CB 4.15Å
41Y93.1Very high89.2Confident11 Ų1150 Ų504%0.04326%0.255CS..EExtended strand (participates in β ladder)trans-120.3147.8174.1-59.8-89.6000111.4C30 Y31 F36 P37 V38 D39 K52 I53 L54C30-Y41 HydrophobicContact CB-CE1 4.33Å; C30-Y41 VanDerWaalsContact CB-OH 3.28Å; C30-Y41 WeakPolarHBondContact CB-OH 3.28Å; C30-Y41 PolarHBondContact O-OH 2.83Å; C30-Y41 VanDerWaalsContact O-OH 3.05Å; Y31-Y41 WeakPolarHBondContact CA-OH 3.48Å; Y31-Y41 HydrophobicContact CD2-CD1 4.13Å; Y31-Y41 AromaticContact CD2-CD2 3.9Å; Y31-Y41 HydrophobicContact CD2-CD2 3.9Å; Y31-Y41 HydrophobicContact CD2-CE1 4.21Å; Y31-Y41 AromaticContact CD2-CE2 3.96Å; Y31-Y41 HydrophobicContact CD2-CE2 3.96Å; Y31-Y41 AromaticContact CD2-CG 3.97Å; Y31-Y41 HydrophobicContact CD2-CG 3.97Å; Y31-Y41 HydrophobicContact CG-CE1 4.47Å; Y31-Y41 PolarHBondContact N-OH 2.94Å; Y31-Y41 VanDerWaalsContact N-OH 3.11Å; F36-Y41 HydrophobicContact CB-CE2 3.94Å; F36-Y41 WeakPolarHBondContact CB-OH 3.37Å; P37-Y41 VanDerWaalsContact O-CD2 3.28Å; P37-Y41 WeakPolarHBondContact O-CD2 3.25Å; P37-Y41 VanDerWaalsContact O-CE2 3.27Å; P37-Y41 WeakPolarHBondContact O-CE2 3.44Å; V38-Y41 PolarHBondContact O-N 3.2Å; V38-Y41 VanDerWaalsContact O-N 3.17Å; D39-Y41 VanDerWaalsContact C-N 3.28Å; Y41-K52 HydrophobicContact CD1-CB 4.12Å; Y41-K52 HydrophobicContact CG-CB 4.42Å; Y41-I53 VanDerWaalsContact CA-O 3.25Å; Y41-I53 WeakPolarHBondContact CA-O 3.49Å; Y41-L54 HydrophobicContact CD1-CB 4.28Å; Y41-L54 HydrophobicContact CD1-CD1 4.15Å; Y41-L54 HydrophobicContact CE1-CB 4.06Å; Y41-L54 HydrophobicContact CE1-CD1 3.62Å; Y41-L54 HydrophobicContact CE1-CG 4.46Å; Y41-L54 HydrophobicContact CE2-CD1 4.32Å
42E92.4Very high89.1Confident36 Ų3650.7 Ų50.717%0.16826%0.259CS..EExtended strand (participates in β ladder)trans-120.8157.6168.5-89.9171-166.400110.2K52 I53 I55 R57 H312E42-K52 WeakPolarHBondContact O-CA 3.36Å; E42-I53 HydrophobicContact CB-CG2 4.31Å; E42-I53 PolarHBondContact N-O 3.43Å; E42-I53 PolarHBondContact O-N 2.78Å; E42-I55 HydrophobicContact CB-CD1 4.29Å; E42-I55 HydrophobicContact CB-CG2 4.28Å; E42-I55 HydrophobicContact CG-CD1 3.62Å; E42-I55 WeakPolarHBondContact OE1-CD1 3.42Å; E42-R57 IonicContact OE1-CZ 3.84Å; E42-R57 IonicContact OE1-NH2 2.65Å; E42-R57 PolarHBondContact OE1-NH2 3.45Å; E42-H312 IonicContact OE2-CD2 3.02Å; E42-H312 PolarHBondContact OE2-CD2 3.03Å; E42-H312 VanDerWaalsContact OE2-CD2 3.31Å
43D92.2Very high89.1Confident103 Ų10348.6 Ų48.655%0.55125%0.251SS*.EExtended strand (participates in β ladder)trans-74130.9171.8-71.5-39.6000109.6L51 K52D43-L51 WeakPolarHBondContact CA-O 3.21Å; D43-K52 WeakPolarHBondContact OD1-CD 3.45Å; D43-K52 VanDerWaalsContact OD1-CE 3.26Å; D43-K52 WeakPolarHBondContact OD1-CE 3.44Å; D43-K52 IonicContact OD1-NZ 2.71Å; D43-K52 PolarHBondContact OD1-NZ 3.34Å; D43-K52 IonicContact OD2-NZ 2.64Å
44Y90Very high89Confident51 Ų5148 Ų4820%0.225%0.249CC..EExtended strand (participates in β ladder)trans-129.1123.9177.4-173.5-90.9000109.1L24 Y46 L51 I53 F315L24-Y44 HydrophobicContact CD1-CE1 4.18Å; L24-Y44 HydrophobicContact CD2-CD1 3.59Å; L24-Y44 HydrophobicContact CD2-CE1 3.93Å; L24-Y44 HydrophobicContact CD2-CG 4.26Å; Y44-Y46 HydrophobicContact CE1-CD2 4.16Å; Y44-L51 PolarHBondContact N-O 3.4Å; Y44-L51 PolarHBondContact O-N 3.28Å; Y44-I53 HydrophobicContact CD2-CD1 4.2Å; Y44-I53 HydrophobicContact CD2-CG2 4.45Å; Y44-I53 HydrophobicContact CG-CB 4.47Å; Y44-I53 HydrophobicContact CG-CD1 4.37Å; Y44-I53 HydrophobicContact CG-CG2 4.43Å; Y44-F315 HydrophobicContact CE2-CE2 4.15Å
45E88Confident88.7Confident140 Ų14044.2 Ų44.265%0.65423%0.233SC*.EExtended strand (participates in β ladder)trans-86.7119.5176.8-169.8175.2170.500109.9A49E45-A49 WeakPolarHBondContact CA-O 3.4Å
46Y83.8Confident87.9Confident24 Ų2444.1 Ų44.19%0.09423%0.233CC..EExtended strand (participates in β ladder)trans-130.2116.1176.1-174.2-99.8000108.7Y17 L24 Y44 G48 A49 L51 A133 L134 L137Y17-Y46 WeakPolarHBondContact CE2-OH 3.25Å; L24-Y46 HydrophobicContact CD1-CD1 4.2Å; L24-Y46 HydrophobicContact CD1-CD2 3.52Å; L24-Y46 HydrophobicContact CD1-CE1 4.49Å; L24-Y46 HydrophobicContact CD1-CE2 3.85Å; L24-Y46 HydrophobicContact CD1-CG 3.69Å; Y44-Y46 HydrophobicContact CE1-CD2 4.16Å; Y46-G48 PolarHBondContact O-N 2.84Å; Y46-A49 PolarHBondContact N-O 3.28Å; Y46-A49 WeakPolarHBondContact O-CB 3.32Å; Y46-A49 PolarHBondContact O-N 3.17Å; Y46-L51 HydrophobicContact CD1-CD1 4.37Å; Y46-L51 HydrophobicContact CG-CD1 4.34Å; Y46-A133 HydrophobicContact CE1-CB 4.18Å; Y46-L134 HydrophobicContact CD1-CD2 4.09Å; Y46-L137 HydrophobicContact CD1-CD1 4.2Å; Y46-L137 HydrophobicContact CE1-CD1 4.38Å
47E79.9Confident87.3Confident67 Ų6746.9 Ų46.931%0.31324%0.243SC..THydrogen-bonded Turntrans52.239.4-180-58.3-167.1161.200113.7A49 K130 L134E47-A49 PolarHBondContact O-N 3.11Å; E47-K130 WeakPolarHBondContact OE1-CA 3.24Å; E47-K130 VanDerWaalsContact OE1-CB 3.25Å; E47-K130 WeakPolarHBondContact OE1-CB 3.36Å; E47-K130 VanDerWaalsContact OE1-CD 3.31Å; E47-K130 WeakPolarHBondContact OE1-CD 3.43Å; E47-K130 WeakPolarHBondContact OE1-CG 3.26Å; E47-K130 WeakPolarHBondContact OE2-CA 3.48Å; E47-K130 WeakPolarHBondContact OE2-CB 3.46Å; E47-L134 HydrophobicContact CB-CD1 3.64Å; E47-L134 HydrophobicContact CB-CD2 4.22Å; E47-L134 HydrophobicContact CB-CG 3.98Å; E47-L134 WeakPolarHBondContact OE2-CG 3.33Å
48G82.4Confident86.7Confident61 Ų6150.5 Ų50.563%0.62926%0.256SS*.THydrogen-bonded Turntrans78.2-5.4-179.100000114.7Y46Y46-G48 PolarHBondContact O-N 2.84Å
49A85.5Confident85.8Confident31 Ų3150.6 Ų50.626%0.25626%0.255SS..EExtended strand (participates in β ladder)trans-89.6133.4171.600000110.5E45 Y46 E47 L51 L134E45-A49 WeakPolarHBondContact CA-O 3.4Å; Y46-A49 PolarHBondContact N-O 3.28Å; Y46-A49 WeakPolarHBondContact O-CB 3.32Å; Y46-A49 PolarHBondContact O-N 3.17Å; E47-A49 PolarHBondContact O-N 3.11Å; A49-L51 HydrophobicContact CB-CD2 4.43Å; A49-L134 HydrophobicContact CB-CD2 3.72Å
50K90.1Very high85Confident172 Ų17248.9 Ų48.975%0.74825%0.245SC*.EExtended strand (participates in β ladder)trans-83115.3169.9-67-174.8179.6-1770109.5
51L91.4Very high84.5Confident18 Ų1848.9 Ų48.99%0.09425%0.245CC..EExtended strand (participates in β ladder)trans-113.8163.4179.9-57.5176.6000110.5L24 D43 Y44 Y46 A49 L137L24-L51 HydrophobicContact CD1-CD1 4.42Å; L24-L51 HydrophobicContact CD2-CD1 4.24Å; D43-L51 WeakPolarHBondContact CA-O 3.21Å; Y44-L51 PolarHBondContact N-O 3.4Å; Y44-L51 PolarHBondContact O-N 3.28Å; Y46-L51 HydrophobicContact CD1-CD1 4.37Å; Y46-L51 HydrophobicContact CG-CD1 4.34Å; A49-L51 HydrophobicContact CB-CD2 4.43Å; L51-L137 HydrophobicContact CD1-CD1 3.7Å
52K93.2Very high83.6Confident51 Ų5149.3 Ų49.322%0.22225%0.248CC..EExtended strand (participates in β ladder)trans-100.7119.7172.1-67.3-65.1-171.2-172.90109.6S27 Y31 Y41 E42 D43S27-K52 WeakPolarHBondContact CB-O 3.27Å; Y31-K52 HydrophobicContact CD1-CB 4.15Å; Y31-K52 HydrophobicContact CD1-CG 4.03Å; Y31-K52 HydrophobicContact CD2-CB 3.87Å; Y31-K52 HydrophobicContact CD2-CG 3.87Å; Y31-K52 HydrophobicContact CE1-CB 4.49Å; Y31-K52 HydrophobicContact CE1-CG 3.87Å; Y31-K52 HydrophobicContact CE2-CB 4.25Å; Y31-K52 HydrophobicContact CE2-CD 4.32Å; Y31-K52 HydrophobicContact CE2-CG 3.72Å; Y31-K52 HydrophobicContact CG-CB 3.83Å; Y31-K52 HydrophobicContact CG-CG 4.03Å; Y41-K52 HydrophobicContact CD1-CB 4.12Å; Y41-K52 HydrophobicContact CG-CB 4.42Å; E42-K52 WeakPolarHBondContact O-CA 3.36Å; D43-K52 WeakPolarHBondContact OD1-CD 3.45Å; D43-K52 VanDerWaalsContact OD1-CE 3.26Å; D43-K52 WeakPolarHBondContact OD1-CE 3.44Å; D43-K52 IonicContact OD1-NZ 2.71Å; D43-K52 PolarHBondContact OD1-NZ 3.34Å; D43-K52 IonicContact OD2-NZ 2.64Å
53I93.8Very high82.7Confident7 Ų748 Ų484%0.03624%0.242CC..EExtended strand (participates in β ladder)trans-103.8134.1175.5-164164.9000110.3L24 Y41 E42 Y44 I55L24-I53 HydrophobicContact CD2-CD1 4.15Å; Y41-I53 VanDerWaalsContact CA-O 3.25Å; Y41-I53 WeakPolarHBondContact CA-O 3.49Å; E42-I53 HydrophobicContact CB-CG2 4.31Å; E42-I53 PolarHBondContact N-O 3.43Å; E42-I53 PolarHBondContact O-N 2.78Å; Y44-I53 HydrophobicContact CD2-CD1 4.2Å; Y44-I53 HydrophobicContact CD2-CG2 4.45Å; Y44-I53 HydrophobicContact CG-CB 4.47Å; Y44-I53 HydrophobicContact CG-CD1 4.37Å; Y44-I53 HydrophobicContact CG-CG2 4.43Å; I53-I55 HydrophobicContact CG2-CG2 4.36Å
54L91.4Very high82.3Confident4 Ų443.2 Ų43.22%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-73.3130.8178.5-173.374.6000109.9S27 F36 V40 Y41 A61 L64 I65S27-L54 PolarHBondContact OG-N 2.89Å; F36-L54 HydrophobicContact CB-CD1 4.12Å; F36-L54 HydrophobicContact CD2-CD1 3.88Å; F36-L54 HydrophobicContact CD2-CD2 4.26Å; F36-L54 HydrophobicContact CE2-CD1 4.49Å; F36-L54 HydrophobicContact CE2-CD2 4.08Å; F36-L54 HydrophobicContact CG-CD1 4.02Å; V40-L54 HydrophobicContact CB-CD1 4.28Å; V40-L54 HydrophobicContact CG2-CD1 3.53Å; Y41-L54 HydrophobicContact CD1-CB 4.28Å; Y41-L54 HydrophobicContact CD1-CD1 4.15Å; Y41-L54 HydrophobicContact CE1-CB 4.06Å; Y41-L54 HydrophobicContact CE1-CD1 3.62Å; Y41-L54 HydrophobicContact CE1-CG 4.46Å; Y41-L54 HydrophobicContact CE2-CD1 4.32Å; L54-A61 HydrophobicContact CD1-CB 4.08Å; L54-A61 HydrophobicContact CD2-CB 4.43Å; L54-A61 HydrophobicContact CG-CB 4.33Å; L54-L64 HydrophobicContact CD2-CD2 3.72Å; L54-L64 HydrophobicContact CD2-CG 4.35Å; L54-I65 HydrophobicContact CD2-CG1 4.3Å; L54-I65 HydrophobicContact CG-CD1 4.43Å
55I83.4Confident82Confident7 Ų741.3 Ų41.34%0.03621%0.209CC..  trans-122.5154.7179.557.4168.3000111.7V40 E42 I53 R57 I65V40-I55 VanDerWaalsContact C-CG1 3.42Å; V40-I55 WeakPolarHBondContact O-CG1 3.32Å; V40-I55 PolarHBondContact O-N 3.31Å; E42-I55 HydrophobicContact CB-CD1 4.29Å; E42-I55 HydrophobicContact CB-CG2 4.28Å; E42-I55 HydrophobicContact CG-CD1 3.62Å; E42-I55 WeakPolarHBondContact OE1-CD1 3.42Å; I53-I55 HydrophobicContact CG2-CG2 4.36Å; I55-R57 VanDerWaalsContact CD1-CD 3.45Å; I55-R57 HydrophobicContact CD1-CG 3.78Å; I55-R57 HydrophobicContact CG1-CG 4.15Å; I55-R57 PolarHBondContact O-N 2.86Å; I55-I65 VanDerWaalsContact C-CD1 3.41Å
56G72.3Confident81.4Confident3 Ų336.1 Ų36.13%0.03119%0.185CC..SBendtrans-80.256.3-172.700000113.9I62 I65 L322G56-I62 VanDerWaalsContact C-CG1 3.41Å; G56-I62 VanDerWaalsContact CA-CG1 3.49Å; G56-I62 WeakPolarHBondContact O-CD1 3.34Å; G56-I62 WeakPolarHBondContact O-CG1 3.28Å; G56-I65 VanDerWaalsContact N-CD1 3.28Å; G56-L322 WeakPolarHBondContact O-CD2 3.38Å
57R74.8Confident81.1Confident65 Ų6535 Ų3525%0.24518%0.181CC..SBendtrans-93.4-19.6179.9-77.4179.4-177168.17.1115D39 V40 E42 I55 L324D39-R57 WeakPolarHBondContact O-CD 3.49Å; D39-R57 PolarHBondContact O-NH1 3.31Å; V40-R57 HydrophobicContact CG1-CB 4.13Å; E42-R57 IonicContact OE1-CZ 3.84Å; E42-R57 IonicContact OE1-NH2 2.65Å; E42-R57 PolarHBondContact OE1-NH2 3.45Å; I55-R57 VanDerWaalsContact CD1-CD 3.45Å; I55-R57 HydrophobicContact CD1-CG 3.78Å; I55-R57 HydrophobicContact CG1-CG 4.15Å; I55-R57 PolarHBondContact O-N 2.86Å; R57-L324 WeakPolarHBondContact O-CD1 3.37Å; R57-L324 WeakPolarHBondContact O-CD2 3.48Å
58R74.1Confident81.5Confident82 Ų8232 Ų3231%0.30917%0.167SC..SBendtrans-129.5150176.4-66.2-174.4-173.8-166.7-0.2109.9P37 D39 V40 N60 A61 I62P37-R58 VanDerWaalsContact CG-CZ 3.42Å; D39-R58 IonicContact OD1-CZ 3.97Å; D39-R58 IonicContact OD1-NE 3.87Å; D39-R58 PolarHBondContact OD1-NE 3.17Å; D39-R58 IonicContact OD1-NH1 3.69Å; D39-R58 IonicContact OD1-NH2 3.64Å; D39-R58 PolarHBondContact OD1-NH2 2.97Å; D39-R58 IonicContact OD2-CZ 2.67Å; D39-R58 IonicContact OD2-NE 3.83Å; D39-R58 PolarHBondContact OD2-NE 2.86Å; D39-R58 IonicContact OD2-NH2 2.69Å; D39-R58 PolarHBondContact OD2-NH2 3.33Å; V40-R58 HydrophobicContact CG1-CB 3.74Å; V40-R58 HydrophobicContact CG1-CG 3.51Å; R58-N60 VanDerWaalsContact C-N 3.29Å; R58-N60 PolarHBondContact O-N 3.13Å; R58-N60 VanDerWaalsContact O-N 3.15Å; R58-A61 WeakPolarHBondContact O-CA 3.37Å; R58-A61 WeakPolarHBondContact O-CB 3.33Å; R58-A61 PolarHBondContact O-N 3.06Å; R58-I62 WeakPolarHBondContact O-CG1 3.48Å; R58-I62 PolarHBondContact O-N 3.01Å
59D70.6Confident81.5Confident65 Ų6534.5 Ų34.535%0.34816%0.16SC..Hα-helixtrans-48.9-46.7-175.8-62.6-19.7000113.4A61 I62 R63D59-A61 VanDerWaalsContact C-N 3.34Å; D59-A61 PolarHBondContact O-N 2.9Å; D59-I62 PolarHBondContact O-N 3.32Å; D59-R63 WeakPolarHBondContact O-CB 3.27Å; D59-R63 WeakPolarHBondContact O-CG 3.46Å; D59-R63 PolarHBondContact O-N 2.9Å
60N73Confident81.3Confident29 Ų2933.1 Ų33.116%0.15515%0.149CC..Hα-helixtrans-66.1-35.7-179.2-65.7-15.4000112.5F36 R58 L64 C258F36-N60 HydrophobicContact CD1-CB 4.47Å; F36-N60 VanDerWaalsContact CE1-C 3.47Å; F36-N60 HydrophobicContact CE1-CB 3.86Å; F36-N60 WeakPolarHBondContact CE1-O 3.46Å; R58-N60 VanDerWaalsContact C-N 3.29Å; R58-N60 PolarHBondContact O-N 3.13Å; R58-N60 VanDerWaalsContact O-N 3.15Å; N60-L64 PolarHBondContact O-N 2.9Å; N60-C258 PolarHBondContact ND2-O 3.41Å
61A78.1Confident81.3Confident0 Ų024.9 Ų24.90%011%0.113CC..Hα-helixtrans-72.4-42.2175.800000110.8F36 V40 L54 R58 D59 R63 L64 I65F36-A61 HydrophobicContact CD1-CB 4.07Å; F36-A61 HydrophobicContact CE1-CB 4.16Å; V40-A61 HydrophobicContact CB-CB 4.08Å; V40-A61 HydrophobicContact CG1-CB 4.16Å; V40-A61 HydrophobicContact CG2-CB 4.15Å; L54-A61 HydrophobicContact CD1-CB 4.08Å; L54-A61 HydrophobicContact CD2-CB 4.43Å; L54-A61 HydrophobicContact CG-CB 4.33Å; R58-A61 WeakPolarHBondContact O-CA 3.37Å; R58-A61 WeakPolarHBondContact O-CB 3.33Å; R58-A61 PolarHBondContact O-N 3.06Å; D59-A61 VanDerWaalsContact C-N 3.34Å; D59-A61 PolarHBondContact O-N 2.9Å; A61-R63 VanDerWaalsContact C-N 3.26Å; A61-R63 PolarHBondContact O-N 3.43Å; A61-L64 PolarHBondContact O-N 3.29Å; A61-I65 VanDerWaalsContact O-CG1 3.3Å; A61-I65 WeakPolarHBondContact O-CG1 3.3Å; A61-I65 PolarHBondContact O-N 2.83Å
62I74.4Confident81.3Confident20 Ų2025.2 Ų25.210%0.10311%0.113CC..Hα-helixtrans-56.2-43.7173.4-66.6164.6000110.2G56 R58 D59 I65 Q66 L322G56-I62 VanDerWaalsContact C-CG1 3.41Å; G56-I62 VanDerWaalsContact CA-CG1 3.49Å; G56-I62 WeakPolarHBondContact O-CD1 3.34Å; G56-I62 WeakPolarHBondContact O-CG1 3.28Å; R58-I62 WeakPolarHBondContact O-CG1 3.48Å; R58-I62 PolarHBondContact O-N 3.01Å; D59-I62 PolarHBondContact O-N 3.32Å; I62-I65 PolarHBondContact O-N 3.2Å; I62-Q66 HydrophobicContact CG2-CG 4.24Å; I62-Q66 VanDerWaalsContact CG2-NE2 3.32Å; I62-Q66 WeakPolarHBondContact O-CB 3.15Å; I62-Q66 VanDerWaalsContact O-CG 3.26Å; I62-Q66 WeakPolarHBondContact O-CG 3.48Å; I62-Q66 PolarHBondContact O-N 2.96Å; I62-L322 HydrophobicContact CD1-CD1 3.77Å; I62-L322 HydrophobicContact CG1-CD1 4.2Å
63R75.3Confident81Confident8 Ų825.1 Ų25.13%0.0312%0.115CC..Hα-helixtrans-58.9-47.8177.4-77.8176.869.5-159.8-2.8112.4D59 A61 I65 Q66 C67 L260 F289D59-R63 WeakPolarHBondContact O-CB 3.27Å; D59-R63 WeakPolarHBondContact O-CG 3.46Å; D59-R63 PolarHBondContact O-N 2.9Å; A61-R63 VanDerWaalsContact C-N 3.26Å; A61-R63 PolarHBondContact O-N 3.43Å; R63-I65 VanDerWaalsContact C-N 3.35Å; R63-Q66 PolarHBondContact O-N 3.43Å; R63-C67 PolarHBondContact O-N 3.4Å; R63-L260 HydrophobicContact CB-CD2 4.05Å; R63-L260 PolarHBondContact NH2-O 2.95Å; R63-F289 HydrophobicContact CG-CE1 3.59Å; R63-F289 HydrophobicContact CG-CZ 3.51Å
64L83.6Confident80.8Confident2 Ų224.8 Ų24.81%0.0111%0.113CC..Hα-helixtrans-62.1-45.1176.6176.459.4000111I26 F36 L54 N60 A61 Q66 C67 M68 F85 I156 L158 L260I26-L64 HydrophobicContact CG2-CD2 4.24Å; F36-L64 HydrophobicContact CE2-CD2 3.59Å; F36-L64 HydrophobicContact CZ-CB 4.12Å; F36-L64 HydrophobicContact CZ-CD2 3.87Å; L54-L64 HydrophobicContact CD2-CD2 3.72Å; L54-L64 HydrophobicContact CD2-CG 4.35Å; N60-L64 PolarHBondContact O-N 2.9Å; A61-L64 PolarHBondContact O-N 3.29Å; L64-Q66 VanDerWaalsContact C-N 3.3Å; L64-Q66 PolarHBondContact O-N 2.95Å; L64-C67 WeakPolarHBondContact O-CB 3.45Å; L64-C67 PolarHBondContact O-N 2.84Å; L64-C67 VanDerWaalsContact O-N 3.16Å; L64-M68 HydrophobicContact CD1-CG 4.3Å; L64-M68 WeakPolarHBondContact O-CG 3.45Å; L64-M68 PolarHBondContact O-N 2.89Å; L64-F85 HydrophobicContact CD1-CE2 3.96Å; L64-F85 HydrophobicContact CD2-CE2 3.98Å; L64-F85 HydrophobicContact CD2-CZ 4.47Å; L64-I156 HydrophobicContact CD2-CD1 4.14Å; L64-L158 HydrophobicContact CD1-CD1 3.67Å; L64-L260 HydrophobicContact CB-CD2 4.45Å; L64-L260 HydrophobicContact CD1-CD1 4.2Å
65I81.9Confident80.9Confident11 Ų1124.6 Ų24.66%0.05611%0.112CC..Hα-helixtrans-60.7-40.6178.1-67169000111.2L54 I55 G56 A61 I62 R63 M68 K69 F314L54-I65 HydrophobicContact CD2-CG1 4.3Å; L54-I65 HydrophobicContact CG-CD1 4.43Å; I55-I65 VanDerWaalsContact C-CD1 3.41Å; G56-I65 VanDerWaalsContact N-CD1 3.28Å; A61-I65 VanDerWaalsContact O-CG1 3.3Å; A61-I65 WeakPolarHBondContact O-CG1 3.3Å; A61-I65 PolarHBondContact O-N 2.83Å; I62-I65 PolarHBondContact O-N 3.2Å; R63-I65 VanDerWaalsContact C-N 3.35Å; I65-M68 PolarHBondContact O-N 2.84Å; I65-K69 PolarHBondContact O-N 2.92Å; I65-K69 VanDerWaalsContact O-N 3.13Å; I65-F314 HydrophobicContact CG1-CE2 4.16Å; I65-F314 HydrophobicContact CG2-CE2 4.2Å
66Q75.5Confident81.2Confident32 Ų3228.4 Ų28.415%0.1513%0.133CC..Hα-helixtrans-65.7-40175.5-73.4173.7-1.600112.4I62 R63 L64 M68 K69 Y263 F282I62-Q66 HydrophobicContact CG2-CG 4.24Å; I62-Q66 VanDerWaalsContact CG2-NE2 3.32Å; I62-Q66 WeakPolarHBondContact O-CB 3.15Å; I62-Q66 VanDerWaalsContact O-CG 3.26Å; I62-Q66 WeakPolarHBondContact O-CG 3.48Å; I62-Q66 PolarHBondContact O-N 2.96Å; R63-Q66 PolarHBondContact O-N 3.43Å; L64-Q66 VanDerWaalsContact C-N 3.3Å; L64-Q66 PolarHBondContact O-N 2.95Å; Q66-M68 VanDerWaalsContact C-N 3.33Å; Q66-K69 WeakPolarHBondContact O-CB 3.01Å; Q66-K69 PolarHBondContact O-N 3.48Å; Q66-Y263 HydrophobicContact CB-CE2 4.5Å; Q66-F282 VanDerWaalsContact NE2-CE2 3.29Å
67C78.9Confident82.1Confident0 Ų034 Ų340%015%0.153CC..Hα-helixtrans-61-43.6172.9-1700000111.6R63 L64 K69 G70 C71 L158 F176 L260 Y263R63-C67 PolarHBondContact O-N 3.4Å; L64-C67 WeakPolarHBondContact O-CB 3.45Å; L64-C67 PolarHBondContact O-N 2.84Å; L64-C67 VanDerWaalsContact O-N 3.16Å; C67-K69 PolarHBondContact O-N 2.9Å; C67-G70 WeakPolarHBondContact O-CA 3.4Å; C67-G70 PolarHBondContact O-N 3.02Å; C67-C71 PolarHBondContact O-N 2.86Å; C67-L158 HydrophobicContact CB-CD1 4.08Å; C67-L158 WeakPolarHBondContact SG-CD1 3.38Å; C67-F176 WeakPolarHBondContact O-CE2 3.37Å; C67-F176 WeakPolarHBondContact SG-CZ 3.2Å; C67-L260 HydrophobicContact CB-CD2 4.11Å; C67-Y263 HydrophobicContact CB-CD2 3.47Å; C67-Y263 VanDerWaalsContact CB-CD2 3.47Å; C67-Y263 HydrophobicContact CB-CE2 3.64Å
68M87.2Confident82.9Confident4 Ų432.9 Ų32.92%0.0215%0.15CC..Hα-helixtrans-62.1-28.9176.2-68.4-50.8-53.500113.2I22 I26 L64 I65 Q66 G70 C71 Y72 I83I22-M68 HydrophobicContact CG2-CE 3.71Å; I26-M68 HydrophobicContact CD1-CE 3.39Å; I26-M68 HydrophobicContact CD1-SD 3.46Å; I26-M68 WeakPolarHBondContact CD1-SD 3.04Å; L64-M68 HydrophobicContact CD1-CG 4.3Å; L64-M68 WeakPolarHBondContact O-CG 3.45Å; L64-M68 PolarHBondContact O-N 2.89Å; I65-M68 PolarHBondContact O-N 2.84Å; Q66-M68 VanDerWaalsContact C-N 3.33Å; M68-G70 VanDerWaalsContact C-N 3.26Å; M68-G70 PolarHBondContact O-N 2.98Å; M68-C71 HydrophobicContact CE-CB 4.04Å; M68-C71 WeakPolarHBondContact O-CB 3.44Å; M68-C71 PolarHBondContact O-N 3.48Å; M68-Y72 HydrophobicContact CB-CE2 4.01Å; M68-Y72 HydrophobicContact CE-CE1 3.9Å; M68-Y72 WeakPolarHBondContact O-CD1 3.49Å; M68-Y72 VanDerWaalsContact O-CD2 3.25Å; M68-Y72 WeakPolarHBondContact O-CD2 3.42Å; M68-Y72 PolarHBondContact O-N 3.3Å; M68-I83 HydrophobicContact CE-CD1 4.11Å
69K82.2Confident83.7Confident114 Ų11430.9 Ų30.950%0.49614%0.143SC..Hα-helixtrans-61.9-35.1171.4-68.2-178.4177.7-171.40112.3I65 Q66 C67 Y72 D73I65-K69 PolarHBondContact O-N 2.92Å; I65-K69 VanDerWaalsContact O-N 3.13Å; Q66-K69 WeakPolarHBondContact O-CB 3.01Å; Q66-K69 PolarHBondContact O-N 3.48Å; C67-K69 PolarHBondContact O-N 2.9Å; K69-Y72 PolarHBondContact O-N 3.31Å; K69-D73 PolarHBondContact O-N 3.07Å
70G82.2Confident84.7Confident1 Ų127.8 Ų27.81%0.0113%0.127CC..Hα-helixtrans-59-48.6171.200000111.7C67 M68 Y72 D73 C74 V174C67-G70 WeakPolarHBondContact O-CA 3.4Å; C67-G70 PolarHBondContact O-N 3.02Å; M68-G70 VanDerWaalsContact C-N 3.26Å; M68-G70 PolarHBondContact O-N 2.98Å; G70-Y72 VanDerWaalsContact C-N 3.27Å; G70-Y72 PolarHBondContact O-N 3.46Å; G70-D73 PolarHBondContact O-N 2.8Å; G70-C74 PolarHBondContact O-N 3.47Å; G70-C74 VanDerWaalsContact O-N 3.15Å; G70-C74 PolarHBondContact O-SG 3.36Å; G70-V174 WeakPolarHBondContact CA-O 3.42Å
71C90.3Very high85.6Confident0 Ų029.3 Ų29.30%013%0.13CC..Hα-helixtrans-57.5-42.1173.8-550000111.6C67 M68 C74 I75 L80 I83 F176C67-C71 PolarHBondContact O-N 2.86Å; M68-C71 HydrophobicContact CE-CB 4.04Å; M68-C71 WeakPolarHBondContact O-CB 3.44Å; M68-C71 PolarHBondContact O-N 3.48Å; C71-C74 WeakPolarHBondContact O-CB 3.44Å; C71-C74 PolarHBondContact O-N 2.98Å; C71-I75 WeakPolarHBondContact O-CG1 3.48Å; C71-I75 PolarHBondContact O-N 3.18Å; C71-L80 HydrophobicContact CB-CD2 4.09Å; C71-I83 HydrophobicContact CB-CD1 3.87Å; C71-I83 HydrophobicContact CB-CG1 4.42Å; C71-F176 WeakPolarHBondContact SG-CZ 3.37Å
72Y90.9Very high86.3Confident24 Ų2431.7 Ų31.79%0.09414%0.141CC..Hα-helixtrans-67.9-35.1-177.9-59-26.4000113.5K19 I22 A23 M68 K69 G70 C74 I75 D76 F314K19-Y72 HydrophobicContact CB-CD1 4.19Å; K19-Y72 HydrophobicContact CB-CE1 4.29Å; K19-Y72 HydrophobicContact CD-CD1 4.3Å; K19-Y72 HydrophobicContact CD-CG 4.27Å; K19-Y72 WeakPolarHBondContact CE-O 3.41Å; K19-Y72 HydrophobicContact CG-CD1 3.83Å; K19-Y72 HydrophobicContact CG-CE1 4.38Å; K19-Y72 HydrophobicContact CG-CG 4.31Å; K19-Y72 PolarHBondContact NZ-O 2.67Å; K19-Y72 VanDerWaalsContact NZ-O 3.12Å; I22-Y72 HydrophobicContact CG2-CE1 4.39Å; A23-Y72 WeakPolarHBondContact CB-OH 3.44Å; M68-Y72 HydrophobicContact CB-CE2 4.01Å; M68-Y72 HydrophobicContact CE-CE1 3.9Å; M68-Y72 WeakPolarHBondContact O-CD1 3.49Å; M68-Y72 VanDerWaalsContact O-CD2 3.25Å; M68-Y72 WeakPolarHBondContact O-CD2 3.42Å; M68-Y72 PolarHBondContact O-N 3.3Å; K69-Y72 PolarHBondContact O-N 3.31Å; G70-Y72 VanDerWaalsContact C-N 3.27Å; G70-Y72 PolarHBondContact O-N 3.46Å; Y72-C74 VanDerWaalsContact C-N 3.35Å; Y72-I75 HydrophobicContact CD1-CD1 4.21Å; Y72-I75 PolarHBondContact O-N 3.38Å; Y72-D76 PolarHBondContact O-N 3.47Å; Y72-D76 VanDerWaalsContact O-OD2 3.13Å; Y72-F314 AromaticContact CE2-CE1 3.57Å; Y72-F314 HydrophobicContact CE2-CE1 3.57Å; Y72-F314 AromaticContact CE2-CZ 3.9Å; Y72-F314 HydrophobicContact CE2-CZ 3.9Å; Y72-F314 AromaticContact CZ-CE1 3.8Å; Y72-F314 VanDerWaalsContact OH-CE1 3.28Å; Y72-F314 WeakPolarHBondContact OH-CE1 3.43Å; Y72-F314 VanDerWaalsContact OH-CZ 3.31Å; Y72-F314 WeakPolarHBondContact OH-CZ 3.2Å
73D87.3Confident87.3Confident50 Ų5030.7 Ų30.727%0.26714%0.136SC..Hα-helixtrans-64.5-40.1170.6178.183.8000110.9K69 G70 I75 D76 R77 Y171K69-D73 PolarHBondContact O-N 3.07Å; G70-D73 PolarHBondContact O-N 2.8Å; D73-I75 VanDerWaalsContact C-N 3.29Å; D73-I75 PolarHBondContact O-N 2.98Å; D73-D76 PolarHBondContact O-N 2.89Å; D73-R77 VanDerWaalsContact CG-NE 3.3Å; D73-R77 WeakPolarHBondContact O-CG 3.34Å; D73-R77 PolarHBondContact O-N 2.95Å; D73-R77 VanDerWaalsContact O-N 3.14Å; D73-R77 IonicContact OD1-CZ 3.14Å; D73-R77 IonicContact OD1-NE 2.96Å; D73-R77 PolarHBondContact OD1-NE 3.32Å; D73-R77 VanDerWaalsContact OD1-NE 3.1Å; D73-R77 IonicContact OD1-NH2 3.24Å; D73-R77 PolarHBondContact OD1-NH2 3.46Å; D73-R77 IonicContact OD2-CZ 2.71Å; D73-R77 IonicContact OD2-NE 2.67Å; D73-R77 PolarHBondContact OD2-NE 2.99Å; D73-R77 IonicContact OD2-NH2 3.96Å; D73-Y171 PolarHBondContact OD2-OH 2.69Å
74C89.3Confident88.1Confident0 Ų030.6 Ų30.60%014%0.136CC..Hα-helixtrans-62.2-37.7173.4-54.10000112.3G70 C71 Y72 R77 Q78 Y79 L80 Y171 P173G70-C74 PolarHBondContact O-N 3.47Å; G70-C74 VanDerWaalsContact O-N 3.15Å; G70-C74 PolarHBondContact O-SG 3.36Å; C71-C74 WeakPolarHBondContact O-CB 3.44Å; C71-C74 PolarHBondContact O-N 2.98Å; Y72-C74 VanDerWaalsContact C-N 3.35Å; C74-R77 PolarHBondContact O-N 3.43Å; C74-Q78 PolarHBondContact O-N 2.76Å; C74-Y79 PolarHBondContact O-N 2.92Å; C74-L80 HydrophobicContact CB-CB 3.66Å; C74-L80 HydrophobicContact CB-CD1 4.12Å; C74-L80 HydrophobicContact CB-CD2 4.27Å; C74-L80 HydrophobicContact CB-CG 4.24Å; C74-L80 PolarHBondContact O-N 3.12Å; C74-Y171 PolarHBondContact N-OH 3.27Å; C74-Y171 PolarHBondContact SG-OH 2.82Å; C74-P173 WeakPolarHBondContact SG-CB 3.33Å; C74-P173 VanDerWaalsContact SG-CG 3.57Å
75I92.7Very high88.6Confident0 Ų030.5 Ų30.50%014%0.136CC..Hα-helixtrans-67.8-43.8177.2-66171.7000110.9I15 K19 I22 C71 Y72 D73 R77 Q78 L80 I105I15-I75 HydrophobicContact CG2-CG2 4.05Å; K19-I75 HydrophobicContact CG-CD1 4.15Å; K19-I75 HydrophobicContact CG-CG2 4.22Å; I22-I75 HydrophobicContact CD1-CD1 3.74Å; C71-I75 WeakPolarHBondContact O-CG1 3.48Å; C71-I75 PolarHBondContact O-N 3.18Å; Y72-I75 HydrophobicContact CD1-CD1 4.21Å; Y72-I75 PolarHBondContact O-N 3.38Å; D73-I75 VanDerWaalsContact C-N 3.29Å; D73-I75 PolarHBondContact O-N 2.98Å; I75-R77 PolarHBondContact O-N 3.28Å; I75-Q78 PolarHBondContact O-N 3.23Å; I75-L80 HydrophobicContact CD1-CD2 3.96Å; I75-L80 HydrophobicContact CG1-CB 4.01Å; I75-L80 HydrophobicContact CG1-CD2 3.5Å; I75-L80 VanDerWaalsContact CG1-CD2 3.5Å; I75-L80 HydrophobicContact CG1-CG 4.37Å; I75-I105 HydrophobicContact CD1-CD1 3.65Å; I75-I105 HydrophobicContact CG1-CD1 3.72Å
76D91.4Very high89Confident87 Ų8730 Ų3047%0.46513%0.133SC..Hα-helixtrans-58-36.2177.4-75-36.3000112.1K19 Y72 D73 Q78K19-D76 WeakPolarHBondContact CE-OD1 3.3Å; K19-D76 IonicContact NZ-OD1 2.93Å; K19-D76 PolarHBondContact NZ-OD1 2.58Å; K19-D76 IonicContact NZ-OD2 2.66Å; K19-D76 PolarHBondContact NZ-OD2 3.08Å; Y72-D76 PolarHBondContact O-N 3.47Å; Y72-D76 VanDerWaalsContact O-OD2 3.13Å; D73-D76 PolarHBondContact O-N 2.89Å; D76-Q78 VanDerWaalsContact C-N 3.28Å
77R90.7Very high89.6Confident120 Ų12028.4 Ų28.445%0.45313%0.126SC..THydrogen-bonded Turntrans-84.9-0.3178.7-61.5173.7-168.8-78.7-8.8113.6D73 C74 I75 Y79D73-R77 VanDerWaalsContact CG-NE 3.3Å; D73-R77 WeakPolarHBondContact O-CG 3.34Å; D73-R77 PolarHBondContact O-N 2.95Å; D73-R77 VanDerWaalsContact O-N 3.14Å; D73-R77 IonicContact OD1-CZ 3.14Å; D73-R77 IonicContact OD1-NE 2.96Å; D73-R77 PolarHBondContact OD1-NE 3.32Å; D73-R77 VanDerWaalsContact OD1-NE 3.1Å; D73-R77 IonicContact OD1-NH2 3.24Å; D73-R77 PolarHBondContact OD1-NH2 3.46Å; D73-R77 IonicContact OD2-CZ 2.71Å; D73-R77 IonicContact OD2-NE 2.67Å; D73-R77 PolarHBondContact OD2-NE 2.99Å; D73-R77 IonicContact OD2-NH2 3.96Å; C74-R77 PolarHBondContact O-N 3.43Å; I75-R77 PolarHBondContact O-N 3.28Å; R77-Y79 HydrophobicContact CB-CD1 3.92Å; R77-Y79 HydrophobicContact CB-CD2 3.54Å; R77-Y79 HydrophobicContact CB-CE1 3.89Å; R77-Y79 HydrophobicContact CB-CE2 3.56Å; R77-Y79 HydrophobicContact CB-CG 3.73Å; R77-Y79 VanDerWaalsContact CD-CE2 3.46Å; R77-Y79 HydrophobicContact CG-CD2 4.34Å; R77-Y79 HydrophobicContact CG-CE2 4.08Å; R77-Y79 WeakPolarHBondContact O-CD1 3.41Å; R77-Y79 WeakPolarHBondContact O-CE1 3.38Å; R77-Y79 PolarHBondContact O-N 3.45Å
78Q91.1Very high89.8Confident41 Ų4128.4 Ų28.419%0.19213%0.126CC..THydrogen-bonded Turntrans56.228.1-173.8-54.7177.1-72.500114.1Q11 C74 I75 D76 Y107 D109Q11-Q78 VanDerWaalsContact NE2-NE2 3.14Å; C74-Q78 PolarHBondContact O-N 2.76Å; I75-Q78 PolarHBondContact O-N 3.23Å; D76-Q78 VanDerWaalsContact C-N 3.28Å; Q78-Y107 VanDerWaalsContact CA-CZ 3.5Å; Q78-Y107 HydrophobicContact CB-CD1 3.86Å; Q78-Y107 HydrophobicContact CB-CD2 4.31Å; Q78-Y107 HydrophobicContact CB-CE1 3.82Å; Q78-Y107 HydrophobicContact CB-CE2 4.24Å; Q78-Y107 HydrophobicContact CB-CG 4.13Å; Q78-Y107 HydrophobicContact CG-CD1 3.7Å; Q78-Y107 HydrophobicContact CG-CE1 3.77Å; Q78-Y107 HydrophobicContact CG-CG 4.36Å; Q78-D109 PolarHBondContact NE2-OD2 2.81Å
79Y91.4Very high89.4Confident41 Ų4129.2 Ų29.216%0.16113%0.13CC..  trans-88.5-24.8179.5-63.8-13.6000112C74 R77 R81 Y162 Y163 R166 T167 Y171C74-Y79 PolarHBondContact O-N 2.92Å; R77-Y79 HydrophobicContact CB-CD1 3.92Å; R77-Y79 HydrophobicContact CB-CD2 3.54Å; R77-Y79 HydrophobicContact CB-CE1 3.89Å; R77-Y79 HydrophobicContact CB-CE2 3.56Å; R77-Y79 HydrophobicContact CB-CG 3.73Å; R77-Y79 VanDerWaalsContact CD-CE2 3.46Å; R77-Y79 HydrophobicContact CG-CD2 4.34Å; R77-Y79 HydrophobicContact CG-CE2 4.08Å; R77-Y79 WeakPolarHBondContact O-CD1 3.41Å; R77-Y79 WeakPolarHBondContact O-CE1 3.38Å; R77-Y79 PolarHBondContact O-N 3.45Å; Y79-R81 PolarHBondContact O-N 3.22Å; Y79-Y162 CarbonylContact O-C 3.47Å; Y79-Y162 WeakPolarHBondContact O-CA 3.3Å; Y79-Y162 WeakPolarHBondContact O-CB 3.4Å; Y79-Y163 PolarHBondContact O-N 2.65Å; Y79-R166 HydrophobicContact CD1-CB 4.33Å; Y79-R166 WeakPolarHBondContact CD1-O 3.42Å; Y79-R166 WeakPolarHBondContact CE1-O 3.44Å; Y79-T167 WeakPolarHBondContact CB-OG1 3.31Å; Y79-T167 HydrophobicContact CD2-CG2 3.97Å; Y79-T167 HydrophobicContact CG-CG2 4.14Å; Y79-Y171 AromaticContact CD2-CD1 3.79Å; Y79-Y171 HydrophobicContact CD2-CD1 3.79Å; Y79-Y171 HydrophobicContact CD2-CD2 4.2Å; Y79-Y171 AromaticContact CD2-CE1 3.67Å; Y79-Y171 HydrophobicContact CD2-CE1 3.67Å; Y79-Y171 HydrophobicContact CD2-CE2 4.1Å; Y79-Y171 HydrophobicContact CD2-CG 4.04Å; Y79-Y171 AromaticContact CD2-CZ 3.82Å; Y79-Y171 HydrophobicContact CE2-CD1 4.22Å; Y79-Y171 AromaticContact CE2-CD2 3.9Å; Y79-Y171 HydrophobicContact CE2-CD2 3.9Å; Y79-Y171 HydrophobicContact CE2-CE1 4.34Å; Y79-Y171 HydrophobicContact CE2-CE2 4.04Å; Y79-Y171 AromaticContact CE2-CG 3.98Å; Y79-Y171 HydrophobicContact CE2-CG 3.98Å
80L92.4Very high88.8Confident0 Ų026 Ų260%012%0.119CC..EExtended strand (participates in β ladder)trans-83.2118.1-168.3-165.860.2000112.9C71 C74 I75 Q82 I83 I105 Y107 I160C71-L80 HydrophobicContact CB-CD2 4.09Å; C74-L80 HydrophobicContact CB-CB 3.66Å; C74-L80 HydrophobicContact CB-CD1 4.12Å; C74-L80 HydrophobicContact CB-CD2 4.27Å; C74-L80 HydrophobicContact CB-CG 4.24Å; C74-L80 PolarHBondContact O-N 3.12Å; I75-L80 HydrophobicContact CD1-CD2 3.96Å; I75-L80 HydrophobicContact CG1-CB 4.01Å; I75-L80 HydrophobicContact CG1-CD2 3.5Å; I75-L80 VanDerWaalsContact CG1-CD2 3.5Å; I75-L80 HydrophobicContact CG1-CG 4.37Å; L80-Q82 WeakPolarHBondContact CD1-O 3.47Å; L80-I83 HydrophobicContact CD2-CD1 3.79Å; L80-I83 HydrophobicContact CD2-CG1 3.57Å; L80-I83 HydrophobicContact CG-CG1 4.31Å; L80-I105 HydrophobicContact CB-CD1 4.46Å; L80-I105 HydrophobicContact CD2-CD1 3.98Å; L80-I105 HydrophobicContact CG-CD1 4.23Å; L80-Y107 VanDerWaalsContact O-CE2 3.25Å; L80-Y107 WeakPolarHBondContact O-CE2 3.48Å; L80-Y107 PolarHBondContact O-OH 2.76Å; L80-I160 HydrophobicContact CD1-CB 3.66Å; L80-I160 HydrophobicContact CD1-CD1 4.49Å; L80-I160 HydrophobicContact CD1-CG2 3.9Å
81R90.8Very high88.2Confident61 Ų6127 Ų2723%0.2313%0.125CC..EExtended strand (participates in β ladder)trans-90.5-48172.7-173.7173.478.1-140.516.7111.9Y79 T104 I105 V161 Y162 Y163Y79-R81 PolarHBondContact O-N 3.22Å; R81-T104 CarbonylContact O-C 3.52Å; R81-T104 WeakPolarHBondContact O-CA 3.29Å; R81-I105 PolarHBondContact O-N 2.75Å; R81-V161 WeakPolarHBondContact CA-O 3.44Å; R81-V161 WeakPolarHBondContact CB-O 3.47Å; R81-V161 VanDerWaalsContact CZ-CG1 3.41Å; R81-V161 PolarHBondContact N-O 2.89Å; R81-Y162 PolarHBondContact NH1-O 3.14Å; R81-Y163 VanDerWaalsContact CA-CE2 3.5Å; R81-Y163 HydrophobicContact CB-CD1 4.32Å; R81-Y163 HydrophobicContact CB-CD2 3.83Å; R81-Y163 HydrophobicContact CB-CE1 4.15Å; R81-Y163 HydrophobicContact CB-CE2 3.62Å; R81-Y163 HydrophobicContact CB-CG 4.19Å; R81-Y163 HydrophobicContact CG-CD1 4.31Å; R81-Y163 HydrophobicContact CG-CD2 4.47Å; R81-Y163 HydrophobicContact CG-CE1 3.76Å; R81-Y163 HydrophobicContact CG-CE2 3.93Å
82Q93.1Very high86.8Confident49 Ų4934.6 Ų34.623%0.22916%0.16CC..EExtended strand (participates in β ladder)trans-139.5143.9-175.8-76.3176.1-30.600113.3L80 I102 F103 T104 I160 V161L80-Q82 WeakPolarHBondContact CD1-O 3.47Å; Q82-I102 HydrophobicContact CG-CG2 4.48Å; Q82-F103 CarbonylContact C-O 3.6Å; Q82-F103 WeakPolarHBondContact CA-O 3.46Å; Q82-T104 HydrophobicContact CG-CG2 3.95Å; Q82-T104 PolarHBondContact NE2-OG1 3.06Å; Q82-I160 VanDerWaalsContact O-CA 3.24Å; Q82-I160 WeakPolarHBondContact O-CA 3.35Å; Q82-V161 HydrophobicContact CB-CB 4.17Å; Q82-V161 HydrophobicContact CB-CG2 4.23Å; Q82-V161 PolarHBondContact N-O 2.83Å; Q82-V161 PolarHBondContact O-N 3.33Å
83I94.9Very high85.7Confident0 Ų040.4 Ų40.40%018%0.183CC..EExtended strand (participates in β ladder)trans-112.4125.6161-53.4171000107.5I22 M68 C71 L80 I102 F103 L158 I160I22-I83 HydrophobicContact CD1-CD1 4.11Å; I22-I83 HydrophobicContact CG2-CD1 3.95Å; M68-I83 HydrophobicContact CE-CD1 4.11Å; C71-I83 HydrophobicContact CB-CD1 3.87Å; C71-I83 HydrophobicContact CB-CG1 4.42Å; L80-I83 HydrophobicContact CD2-CD1 3.79Å; L80-I83 HydrophobicContact CD2-CG1 3.57Å; L80-I83 HydrophobicContact CG-CG1 4.31Å; I83-I102 WeakPolarHBondContact O-CA 3.22Å; I83-F103 HydrophobicContact CB-CB 4.13Å; I83-F103 HydrophobicContact CB-CD2 4.2Å; I83-F103 HydrophobicContact CG2-CD2 4.44Å; I83-F103 PolarHBondContact N-O 2.82Å; I83-F103 PolarHBondContact O-N 2.75Å; I83-L158 HydrophobicContact CG2-CD2 4.32Å; I83-I160 HydrophobicContact CG1-CG2 4.26Å; I83-I160 HydrophobicContact CG2-CG2 4.5Å
84M92.2Very high85Confident5 Ų539.7 Ų39.73%0.02518%0.182CC..EExtended strand (participates in β ladder)trans-109.8100.2174.2-60.4178.281.400108.5G86 I102 L158 K159 L183 F184M84-G86 PolarHBondContact O-N 3.01Å; M84-I102 HydrophobicContact CE-CD1 4.37Å; M84-I102 HydrophobicContact CG-CG1 4.45Å; M84-L158 WeakPolarHBondContact O-CA 3.31Å; M84-K159 HydrophobicContact CB-CB 4.18Å; M84-K159 PolarHBondContact N-O 2.87Å; M84-K159 PolarHBondContact O-N 3.11Å; M84-K159 VanDerWaalsContact O-N 3.1Å; M84-K159 HydrophobicContact SD-CB 4.3Å; M84-L183 HydrophobicContact CE-CD2 4.4Å; M84-F184 HydrophobicContact CB-CD2 4.27Å; M84-F184 HydrophobicContact CB-CE2 3.83Å; M84-F184 HydrophobicContact CE-CD2 3.92Å; M84-F184 HydrophobicContact SD-CD2 4.44Å
85F93.8Very high84.2Confident0 Ų043.5 Ų43.50%020%0.2CC..EExtended strand (participates in β ladder)trans-8896.9174.7-175.5-79.4000109I26 I29 L35 L64 V87 C100 Y101 F103 I156 L158I26-F85 HydrophobicContact CD1-CD2 4.2Å; I26-F85 HydrophobicContact CG1-CD2 4.16Å; I26-F85 HydrophobicContact CG2-CD2 3.87Å; I26-F85 HydrophobicContact CG2-CE2 3.64Å; I26-F85 HydrophobicContact CG2-CZ 4.39Å; I29-F85 HydrophobicContact CG2-CD1 4.06Å; I29-F85 HydrophobicContact CG2-CE1 3.73Å; L35-F85 HydrophobicContact CD1-CE1 3.88Å; L35-F85 HydrophobicContact CD1-CZ 3.89Å; L64-F85 HydrophobicContact CD1-CE2 3.96Å; L64-F85 HydrophobicContact CD2-CE2 3.98Å; L64-F85 HydrophobicContact CD2-CZ 4.47Å; F85-V87 HydrophobicContact CD1-CG2 4.37Å; F85-V87 HydrophobicContact CE1-CG2 3.92Å; F85-C100 WeakPolarHBondContact O-CA 3.42Å; F85-Y101 AromaticContact CD1-CD2 3.99Å; F85-Y101 HydrophobicContact CD1-CD2 3.99Å; F85-Y101 PolarHBondContact N-O 3.22Å; F85-Y101 PolarHBondContact O-N 2.99Å; F85-F103 HydrophobicContact CB-CE2 4.28Å; F85-I156 HydrophobicContact CD2-CG2 4.21Å; F85-I156 HydrophobicContact CE1-CG2 4.27Å; F85-I156 HydrophobicContact CE2-CD1 4.38Å; F85-I156 HydrophobicContact CE2-CG2 3.6Å; F85-I156 HydrophobicContact CZ-CB 4.48Å; F85-I156 HydrophobicContact CZ-CD1 3.83Å; F85-I156 HydrophobicContact CZ-CG1 3.98Å; F85-I156 HydrophobicContact CZ-CG2 3.64Å; F85-L158 HydrophobicContact CB-CD2 3.93Å; F85-L158 HydrophobicContact CD2-CD2 3.61Å; F85-L158 HydrophobicContact CE2-CD2 4.47Å; F85-L158 HydrophobicContact CG-CD2 4.11Å
86G90.5Very high83.6Confident0 Ų045.6 Ų45.60%021%0.212CC..EExtended strand (participates in β ladder)trans-90.1138.5179.200000113M84 L97 I156 S157M84-G86 PolarHBondContact O-N 3.01Å; G86-L97 VanDerWaalsContact CA-CD1 3.43Å; G86-I156 CarbonylContact O-C 3.52Å; G86-I156 WeakPolarHBondContact O-CA 3.33Å; G86-S157 WeakPolarHBondContact CA-O 3.13Å; G86-S157 PolarHBondContact N-O 3.16Å; G86-S157 PolarHBondContact O-N 3.32Å
87V89.3Confident83.3Confident0 Ų041.4 Ų41.40%019%0.19CC..EExtended strand (participates in β ladder)trans-110.3130.5166.9-178.10000107.7L35 F85 L97 T98 D99 Y101 L150 G155L35-V87 HydrophobicContact CD1-CG2 4.01Å; L35-V87 HydrophobicContact CD2-CG1 4.05Å; F85-V87 HydrophobicContact CD1-CG2 4.37Å; F85-V87 HydrophobicContact CE1-CG2 3.92Å; V87-L97 WeakPolarHBondContact O-CA 3.39Å; V87-L97 WeakPolarHBondContact O-CB 3.38Å; V87-T98 PolarHBondContact O-N 3.46Å; V87-T98 PolarHBondContact O-OG1 2.91Å; V87-D99 WeakPolarHBondContact CB-OD2 3.37Å; V87-D99 PolarHBondContact N-O 3.45Å; V87-D99 PolarHBondContact O-N 3.36Å; V87-Y101 HydrophobicContact CG2-CE2 4.26Å; V87-L150 HydrophobicContact CG1-CD1 3.54Å; V87-L150 HydrophobicContact CG1-CD2 3.53Å; V87-L150 HydrophobicContact CG1-CG 4.18Å; V87-G155 WeakPolarHBondContact CA-O 3.35Å
88C82.5Confident83.1Confident0 Ų036.9 Ų36.90%018%0.176CC..EExtended strand (participates in β ladder)trans-121.9156.6173.763.60000109.7V96 L97 A154 G155 L261C88-V96 WeakPolarHBondContact CB-O 3.44Å; C88-L97 HydrophobicContact CB-CD2 3.98Å; C88-A154 CarbonylContact O-C 3.58Å; C88-A154 WeakPolarHBondContact O-CA 3.42Å; C88-A154 VanDerWaalsContact O-CB 3.32Å; C88-A154 WeakPolarHBondContact O-CB 3.37Å; C88-G155 PolarHBondContact N-O 2.74Å; C88-G155 PolarHBondContact O-N 3.22Å; C88-G155 VanDerWaalsContact SG-C 3.56Å; C88-G155 WeakPolarHBondContact SG-CA 3.03Å; C88-G155 PolarHBondContact SG-O 3.03Å; C88-G155 VanDerWaalsContact SG-O 3.36Å; C88-L261 WeakPolarHBondContact SG-CD1 3.48Å
89D78Confident83Confident20 Ų2035.1 Ų35.111%0.10717%0.168CC..SBendtrans-110.65.5-177.763.7-5.7000112.1T98 P151 E153 R187D89-T98 HydrophobicContact CB-CG2 3.61Å; D89-T98 WeakPolarHBondContact OD2-CG2 3.37Å; D89-P151 HydrophobicContact CB-CG 3.53Å; D89-E153 CarbonylContact C-O 3.39Å; D89-R187 IonicContact OD1-CZ 2.94Å; D89-R187 IonicContact OD1-NE 3.57Å; D89-R187 PolarHBondContact OD1-NE 2.94Å; D89-R187 IonicContact OD1-NH1 3.63Å; D89-R187 PolarHBondContact OD1-NH1 3.3Å; D89-R187 IonicContact OD1-NH2 3.32Å; D89-R187 PolarHBondContact OD1-NH2 3.2Å; D89-R187 IonicContact OD2-CZ 3.86Å; D89-R187 IonicContact OD2-NE 3.85Å; D89-R187 IonicContact OD2-NH1 3.62Å; D89-R187 PolarHBondContact OD2-NH1 3.49Å; D89-R187 IonicContact OD2-NH2 3.75Å
90N71Confident83Confident48 Ų4833.1 Ų33.126%0.25716%0.16SC..  trans-144.8112.5168.2-174.4-10.5000110E92 Y93N90-E92 PolarHBondContact O-N 2.7Å; N90-E92 WeakPolarHBondContact OD1-CB 3.15Å; N90-E92 PolarHBondContact OD1-N 3.26Å; N90-Y93 CarbonylContact O-C 3.5Å; N90-Y93 PolarHBondContact O-N 2.88Å; N90-Y93 VanDerWaalsContact O-N 3.13Å
91C69.5Low83.2Confident22 Ų2233.1 Ų33.115%0.14916%0.16CC..G310 helixtrans-65.8-17.8-179-63.50000114.5Y93 L261C91-Y93 VanDerWaalsContact C-N 3.27Å; C91-L261 HydrophobicContact CB-CD1 4.08Å; C91-L261 HydrophobicContact CB-CD2 3.83Å
92E61Low83.3Confident158 Ų15830.9 Ų30.974%0.73815%0.152SC*.G310 helixtrans-71-24175-63.7-176.6160.300112.3N90N90-E92 PolarHBondContact O-N 2.7Å; N90-E92 WeakPolarHBondContact OD1-CB 3.15Å; N90-E92 PolarHBondContact OD1-N 3.26Å
93Y67.3Low83.5Confident147 Ų14728.6 Ų28.658%0.57614%0.141SC*.G310 helixtrans-124.867.3-178.6-57.6-81.3000110.3N90 C91 E95 V96N90-Y93 CarbonylContact O-C 3.5Å; N90-Y93 PolarHBondContact O-N 2.88Å; N90-Y93 VanDerWaalsContact O-N 3.13Å; C91-Y93 VanDerWaalsContact C-N 3.27Å; Y93-E95 PolarHBondContact O-N 3.33Å; Y93-E95 VanDerWaalsContact O-N 3.08Å; Y93-V96 PolarHBondContact O-N 3.16Å
94S71.5Confident83.4Confident35 Ų3529.5 Ų29.525%0.24515%0.147CC..THydrogen-bonded Turntrans-61.5-16.3-176.659.90000115.2S157 L261S94-S157 WeakPolarHBondContact O-CB 3Å; S94-S157 PolarHBondContact O-OG 3.47Å; S94-S157 VanDerWaalsContact O-OG 3.12Å; S94-L261 VanDerWaalsContact CB-CD1 3.41Å
95E73.4Confident83.5Confident80 Ų8029.3 Ų29.337%0.37415%0.146SC..THydrogen-bonded Turntrans-87.8-8.6177.4-69.7-64.2143.600113.2Y93 K159 F184 S185Y93-E95 PolarHBondContact O-N 3.33Å; Y93-E95 VanDerWaalsContact O-N 3.08Å; E95-K159 WeakPolarHBondContact OE1-CE 3.23Å; E95-K159 IonicContact OE1-NZ 3.76Å; E95-K159 WeakPolarHBondContact OE2-CE 3.16Å; E95-K159 IonicContact OE2-NZ 3.1Å; E95-K159 PolarHBondContact OE2-NZ 3.36Å; E95-F184 WeakPolarHBondContact OE2-CD1 3.13Å; E95-S185 WeakPolarHBondContact O-CB 3.43Å; E95-S185 PolarHBondContact O-N 3.18Å
96V79.1Confident83.3Confident43 Ų4331.9 Ų31.926%0.26116%0.158SC..EExtended strand (participates in β ladder)trans-108.7102.1178.5-1750000109.3C88 Y93 S185 R187C88-V96 WeakPolarHBondContact CB-O 3.44Å; Y93-V96 PolarHBondContact O-N 3.16Å; V96-S185 WeakPolarHBondContact CA-O 3.46Å; V96-R187 HydrophobicContact CG1-CB 3.99Å
97L86.1Confident83.2Confident0 Ų032 Ų320%016%0.158CC..EExtended strand (participates in β ladder)trans-95154.7-172.2-56-173.7000112.9G86 V87 C88 C100 F184 S185 Y186 R187G86-L97 VanDerWaalsContact CA-CD1 3.43Å; V87-L97 WeakPolarHBondContact O-CA 3.39Å; V87-L97 WeakPolarHBondContact O-CB 3.38Å; C88-L97 HydrophobicContact CB-CD2 3.98Å; L97-C100 HydrophobicContact CD1-CB 3.71Å; L97-F184 HydrophobicContact CD1-CB 3.51Å; L97-F184 HydrophobicContact CD1-CD1 3.83Å; L97-F184 HydrophobicContact CD1-CD2 3.33Å; L97-F184 HydrophobicContact CD1-CE1 4.32Å; L97-F184 HydrophobicContact CD1-CE2 3.87Å; L97-F184 HydrophobicContact CD1-CG 3.28Å; L97-F184 HydrophobicContact CD1-CZ 4.32Å; L97-F184 HydrophobicContact CD2-CD1 4.27Å; L97-F184 HydrophobicContact CD2-CE1 4.47Å; L97-F184 HydrophobicContact CG-CB 3.85Å; L97-F184 HydrophobicContact CG-CD1 3.98Å; L97-F184 HydrophobicContact CG-CD2 4.35Å; L97-F184 HydrophobicContact CG-CG 3.83Å; L97-S185 PolarHBondContact N-O 3.18Å; L97-Y186 HydrophobicContact CB-CD1 4.48Å; L97-R187 PolarHBondContact O-N 3.41Å; L97-R187 VanDerWaalsContact O-N 3.08Å
98T86.3Confident82.7Confident24 Ų2433.5 Ų33.515%0.14717%0.171CC..SBendtrans-83-48.5163.554.20000110.6V87 D89 A217V87-T98 PolarHBondContact O-N 3.46Å; V87-T98 PolarHBondContact O-OG1 2.91Å; D89-T98 HydrophobicContact CB-CG2 3.61Å; D89-T98 WeakPolarHBondContact OD2-CG2 3.37Å; T98-A217 PolarHBondContact O-N 3.16Å
99D89.2Confident81.9Confident4 Ų438.4 Ų38.42%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-145.9143.9-177.646.3-83.4000110.3R33 V87 Y101 L147 I214 K215R33-D99 IonicContact CZ-OD1 3.4Å; R33-D99 IonicContact NE-OD1 2.86Å; R33-D99 IonicContact NE-OD2 2.63Å; R33-D99 IonicContact NH2-OD1 2.58Å; R33-D99 PolarHBondContact NH2-OD1 2.83Å; V87-D99 WeakPolarHBondContact CB-OD2 3.37Å; V87-D99 PolarHBondContact N-O 3.45Å; V87-D99 PolarHBondContact O-N 3.36Å; D99-Y101 WeakPolarHBondContact OD2-CE2 3.48Å; D99-L147 HydrophobicContact CB-CD1 4.37Å; D99-I214 HydrophobicContact CB-CD1 4.2Å; D99-K215 CarbonylContact C-O 3.57Å; D99-K215 WeakPolarHBondContact CA-O 3.14Å
100C92.2Very high80.7Confident0 Ų039.2 Ų39.20%020%0.202CC..EExtended strand (participates in β ladder)trans-133.4116.3-178.1-173.40000109.6F85 L97 Y186 I214 K215F85-C100 WeakPolarHBondContact O-CA 3.42Å; L97-C100 HydrophobicContact CD1-CB 3.71Å; C100-Y186 HydrophobicContact CB-CE1 4Å; C100-I214 CarbonylContact O-C 3.56Å; C100-I214 VanDerWaalsContact O-CA 3.3Å; C100-I214 WeakPolarHBondContact O-CA 3.21Å; C100-K215 HydrophobicContact CB-CB 4.5Å; C100-K215 PolarHBondContact N-O 3.25Å; C100-K215 PolarHBondContact O-N 3.24Å
101Y94.7Very high79.3Confident0 Ų040.1 Ų40.10%022%0.223CC..EExtended strand (participates in β ladder)trans-92.9125176.6-56.6-97.8000109.2I29 R33 F85 V87 D99 C144 L147 M200 G213 I214I29-Y101 HydrophobicContact CD1-CD1 3.49Å; I29-Y101 VanDerWaalsContact CD1-CD1 3.49Å; I29-Y101 HydrophobicContact CD1-CD2 4Å; I29-Y101 HydrophobicContact CD1-CE1 4.02Å; I29-Y101 HydrophobicContact CD1-CE2 4.48Å; I29-Y101 HydrophobicContact CD1-CG 3.46Å; I29-Y101 VanDerWaalsContact CD1-CG 3.46Å; I29-Y101 HydrophobicContact CG1-CD1 3.83Å; I29-Y101 HydrophobicContact CG1-CD2 4.4Å; I29-Y101 HydrophobicContact CG1-CE1 3.81Å; I29-Y101 HydrophobicContact CG1-CE2 4.39Å; I29-Y101 HydrophobicContact CG1-CG 4.12Å; I29-Y101 HydrophobicContact CG2-CD2 3.79Å; I29-Y101 HydrophobicContact CG2-CE1 4.26Å; I29-Y101 HydrophobicContact CG2-CE2 3.41Å; I29-Y101 VanDerWaalsContact CG2-CE2 3.41Å; I29-Y101 HydrophobicContact CG2-CG 4.35Å; R33-Y101 WeakPolarHBondContact CD-OH 3.31Å; F85-Y101 AromaticContact CD1-CD2 3.99Å; F85-Y101 HydrophobicContact CD1-CD2 3.99Å; F85-Y101 PolarHBondContact N-O 3.22Å; F85-Y101 PolarHBondContact O-N 2.99Å; V87-Y101 HydrophobicContact CG2-CE2 4.26Å; D99-Y101 WeakPolarHBondContact OD2-CE2 3.48Å; Y101-C144 PolarHBondContact OH-SG 3.02Å; Y101-L147 WeakPolarHBondContact OH-CD1 3.26Å; Y101-M200 HydrophobicContact CD1-CE 3.83Å; Y101-M200 HydrophobicContact CE1-CE 4.07Å; Y101-G213 CarbonylContact C-O 3.55Å; Y101-G213 WeakPolarHBondContact CA-O 3.09Å; Y101-I214 HydrophobicContact CD1-CB 4.31Å; Y101-I214 HydrophobicContact CD1-CD1 4.09Å; Y101-I214 HydrophobicContact CD1-CG1 4.21Å; Y101-I214 HydrophobicContact CE1-CD1 3.63Å; Y101-I214 HydrophobicContact CE1-CG1 4.26Å
102I94.6Very high77.6Confident14 Ų1440.2 Ų40.27%0.07223%0.227CC..EExtended strand (participates in β ladder)trans-115.5123.8-170.4-53.9174.2000108.9Q82 I83 M84 V212 G213 K215Q82-I102 HydrophobicContact CG-CG2 4.48Å; I83-I102 WeakPolarHBondContact O-CA 3.22Å; M84-I102 HydrophobicContact CE-CD1 4.37Å; M84-I102 HydrophobicContact CG-CG1 4.45Å; I102-V212 WeakPolarHBondContact O-CA 3.28Å; I102-G213 PolarHBondContact N-O 3.03Å; I102-G213 PolarHBondContact O-N 2.86Å; I102-K215 HydrophobicContact CD1-CB 4.49Å; I102-K215 HydrophobicContact CD1-CD 3.63Å; I102-K215 HydrophobicContact CD1-CG 3.76Å
103F96.8Very high76.8Confident0 Ų034.8 Ų34.80%021%0.209CC..EExtended strand (participates in β ladder)trans-109.8111.8175.5-59.1-92.8000107.7I22 A25 I26 I29 Q82 I83 F85 L210 Q211 V212I22-F103 HydrophobicContact CG1-CD1 4.25Å; A25-F103 HydrophobicContact CB-CE1 3.53Å; A25-F103 HydrophobicContact CB-CZ 3.88Å; I26-F103 HydrophobicContact CD1-CE2 4.27Å; I26-F103 HydrophobicContact CG1-CE2 3.87Å; I26-F103 HydrophobicContact CG1-CZ 3.82Å; I29-F103 HydrophobicContact CD1-CE2 4.45Å; I29-F103 HydrophobicContact CD1-CZ 3.97Å; Q82-F103 CarbonylContact C-O 3.6Å; Q82-F103 WeakPolarHBondContact CA-O 3.46Å; I83-F103 HydrophobicContact CB-CB 4.13Å; I83-F103 HydrophobicContact CB-CD2 4.2Å; I83-F103 HydrophobicContact CG2-CD2 4.44Å; I83-F103 PolarHBondContact N-O 2.82Å; I83-F103 PolarHBondContact O-N 2.75Å; F85-F103 HydrophobicContact CB-CE2 4.28Å; F103-L210 HydrophobicContact CB-CD1 3.98Å; F103-L210 HydrophobicContact CD1-CD1 4.39Å; F103-Q211 CarbonylContact C-O 3.52Å; F103-Q211 WeakPolarHBondContact CA-O 3.25Å; F103-V212 HydrophobicContact CD1-CG1 4.35Å; F103-V212 HydrophobicContact CD1-CG2 3.93Å; F103-V212 HydrophobicContact CE1-CG1 4.05Å; F103-V212 HydrophobicContact CE1-CG2 4.13Å
104T93.3Very high75.5Confident20 Ų2029.1 Ų29.112%0.12319%0.193CC..EExtended strand (participates in β ladder)trans-105.6123.7178.6-53.70000109.7R81 Q82 L210 Q211R81-T104 CarbonylContact O-C 3.52Å; R81-T104 WeakPolarHBondContact O-CA 3.29Å; Q82-T104 HydrophobicContact CG-CG2 3.95Å; Q82-T104 PolarHBondContact NE2-OG1 3.06Å; T104-L210 WeakPolarHBondContact O-CA 3.31Å; T104-Q211 PolarHBondContact N-O 3.16Å; T104-Q211 PolarHBondContact O-N 3.12Å
105I93.2Very high73.9Confident0 Ų033.6 Ų33.60%021%0.213CC..EExtended strand (participates in β ladder)trans-109.4129.6-175.3-54.5171.9000108.8V18 I22 I75 L80 R81 Y107 Y163 A209 L210V18-I105 HydrophobicContact CG1-CD1 4.47Å; I22-I105 HydrophobicContact CD1-CD1 3.93Å; I75-I105 HydrophobicContact CD1-CD1 3.65Å; I75-I105 HydrophobicContact CG1-CD1 3.72Å; L80-I105 HydrophobicContact CB-CD1 4.46Å; L80-I105 HydrophobicContact CD2-CD1 3.98Å; L80-I105 HydrophobicContact CG-CD1 4.23Å; R81-I105 PolarHBondContact O-N 2.75Å; I105-Y107 HydrophobicContact CG2-CE1 4.04Å; I105-Y107 HydrophobicContact CG2-CE2 4.06Å; I105-Y163 PolarHBondContact O-OH 2.72Å; I105-A209 CarbonylContact C-O 3.57Å; I105-A209 WeakPolarHBondContact CA-O 3.29Å; I105-L210 HydrophobicContact CG1-CD1 3.95Å
106H90Very high72.3Confident54 Ų5439.5 Ų39.525%0.2523%0.232CC..EExtended strand (participates in β ladder)trans-117.3137.8173.6-61.6-75.8000109.7H208 A209H106-H208 WeakPolarHBondContact O-CA 3.31Å; H106-A209 HydrophobicContact CB-CB 3.92Å; H106-A209 PolarHBondContact N-O 3Å; H106-A209 PolarHBondContact O-N 3.18Å
107Y88.4Confident70.3Confident2 Ų242 Ų421%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-106.3145.9179.5-59-82.3000109.8Q78 L80 I105 D109 D110 Y163 H208Q78-Y107 VanDerWaalsContact CA-CZ 3.5Å; Q78-Y107 HydrophobicContact CB-CD1 3.86Å; Q78-Y107 HydrophobicContact CB-CD2 4.31Å; Q78-Y107 HydrophobicContact CB-CE1 3.82Å; Q78-Y107 HydrophobicContact CB-CE2 4.24Å; Q78-Y107 HydrophobicContact CB-CG 4.13Å; Q78-Y107 HydrophobicContact CG-CD1 3.7Å; Q78-Y107 HydrophobicContact CG-CE1 3.77Å; Q78-Y107 HydrophobicContact CG-CG 4.36Å; L80-Y107 VanDerWaalsContact O-CE2 3.25Å; L80-Y107 WeakPolarHBondContact O-CE2 3.48Å; L80-Y107 PolarHBondContact O-OH 2.76Å; I105-Y107 HydrophobicContact CG2-CE1 4.04Å; I105-Y107 HydrophobicContact CG2-CE2 4.06Å; Y107-D109 PolarHBondContact O-N 2.79Å; Y107-D109 VanDerWaalsContact O-N 3.15Å; Y107-D110 PolarHBondContact N-OD2 3.34Å; Y107-D110 VanDerWaalsContact O-CB 3.27Å; Y107-D110 WeakPolarHBondContact O-CB 3.35Å; Y107-D110 VanDerWaalsContact O-CG 3.29Å; Y107-D110 PolarHBondContact O-N 2.91Å; Y107-D110 VanDerWaalsContact O-N 3.08Å; Y107-Y163 HydrophobicContact CD2-CD2 4.07Å; Y107-Y163 AromaticContact CD2-CE2 3.64Å; Y107-Y163 HydrophobicContact CD2-CE2 3.64Å; Y107-Y163 AromaticContact CE2-CD2 3.91Å; Y107-Y163 HydrophobicContact CE2-CD2 3.91Å; Y107-Y163 AromaticContact CE2-CE2 3.6Å; Y107-Y163 HydrophobicContact CE2-CE2 3.6Å; Y107-H208 AromaticContact CD1-CD2 3.28Å; Y107-H208 WeakPolarHBondContact CD1-CD2 3.47Å; Y107-H208 AromaticContact CD1-NE2 3.44Å; Y107-H208 WeakPolarHBondContact CD1-NE2 3.41Å; Y107-H208 AromaticContact CE1-CD2 3.57Å; Y107-H208 AromaticContact CE1-NE2 3.74Å
108A78.4Confident68Low33 Ų3349.2 Ų49.227%0.27327%0.272SS..THydrogen-bonded Turntrans-58-30-178.500000113.8D110 A114 F207A108-D110 PolarHBondContact O-N 2.93Å; A108-A114 HydrophobicContact CB-CB 3.63Å; A108-F207 WeakPolarHBondContact CB-O 3.49Å; A108-F207 PolarHBondContact N-O 2.82Å
109D65.9Low65.6Low102 Ų10254.1 Ų54.155%0.54530%0.302SS..THydrogen-bonded Turntrans-70.1-8.4179.4-56.8-42.4000113.8Q78 Y107 G111 R166Q78-D109 PolarHBondContact NE2-OD2 2.81Å; Y107-D109 PolarHBondContact O-N 2.79Å; Y107-D109 VanDerWaalsContact O-N 3.15Å; D109-G111 PolarHBondContact O-N 2.88Å; D109-R166 PolarHBondContact O-NH2 3.14Å
110D53.4Low63Low38 Ų3859.6 Ų59.620%0.20334%0.34CS..THydrogen-bonded Turntrans-67.524.6-179.3-68.1-16.8000115.2Y107 A108 R166Y107-D110 PolarHBondContact N-OD2 3.34Å; Y107-D110 VanDerWaalsContact O-CB 3.27Å; Y107-D110 WeakPolarHBondContact O-CB 3.35Å; Y107-D110 VanDerWaalsContact O-CG 3.29Å; Y107-D110 PolarHBondContact O-N 2.91Å; Y107-D110 VanDerWaalsContact O-N 3.08Å; A108-D110 PolarHBondContact O-N 2.93Å; D110-R166 IonicContact OD1-CZ 2.99Å; D110-R166 IonicContact OD1-NH1 3.62Å; D110-R166 PolarHBondContact OD1-NH1 3.23Å; D110-R166 IonicContact OD1-NH2 2.67Å; D110-R166 PolarHBondContact OD1-NH2 3.48Å
111G41Very low60Low67 Ų6763 Ų6369%0.69138%0.376SS*.THydrogen-bonded Turntrans62.17017800000111.2D109D109-G111 PolarHBondContact O-N 2.88Å
112G35.2Very low56.9Low23 Ų2369.8 Ų69.824%0.23741%0.412CS..SBendtrans90.512.4160.300000117.1R116G112-R116 WeakPolarHBondContact O-CB 3.46Å; G112-R116 WeakPolarHBondContact O-CG 3.41Å; G112-R116 PolarHBondContact O-N 2.86Å
113A42.8Very low53.9Low45 Ų4576.8 Ų76.837%0.37245%0.449SS..THydrogen-bonded Turntrans-75.5-45.6169.500000112.3L117A113-L117 WeakPolarHBondContact O-CD1 3.44Å
114A40.6Very low50.8Low27 Ų2783.7 Ų83.722%0.22349%0.486CS..THydrogen-bonded Turntrans-74.7-33.6178.400000112.6A108A108-A114 HydrophobicContact CB-CB 3.63Å
115L38.5Very low48Very low130 Ų13085.4 Ų85.468%0.68150%0.499SS*.THydrogen-bonded Turntrans-89.7-27-178.4-157.975.8000114.1L117 Y118L115-L117 PolarHBondContact O-N 3.24Å; L115-Y118 HydrophobicContact CD1-CD2 3.76Å; L115-Y118 HydrophobicContact CD1-CE2 4.07Å; L115-Y118 HydrophobicContact CG-CD2 4.28Å; L115-Y118 WeakPolarHBondContact O-CB 3.35Å; L115-Y118 WeakPolarHBondContact O-CD2 3.46Å; L115-Y118 PolarHBondContact O-N 3.23Å
116R38.9Very low45.3Very low204 Ų20488.5 Ų88.577%0.7752%0.524SS*.THydrogen-bonded Turntrans-75.2-1.5173.5-65.9178.7172.2165.7-0.6113.8G112 Y118G112-R116 WeakPolarHBondContact O-CB 3.46Å; G112-R116 WeakPolarHBondContact O-CG 3.41Å; G112-R116 PolarHBondContact O-N 2.86Å; R116-Y118 PolarHBondContact O-N 3.46Å
117L37.8Very low42.6Very low94 Ų9490.3 Ų90.349%0.49254%0.535SS..THydrogen-bonded Turntrans-63.5-17.3158.4-87.3141.1000112.2A113 L115A113-L117 WeakPolarHBondContact O-CD1 3.44Å; L115-L117 PolarHBondContact O-N 3.24Å
118Y37.9Very low40.6Very low153 Ų15393.6 Ų93.660%0.656%0.559SS**SBendtrans-99.871.4173.9-56.7-81.2000112.3L115 R116L115-Y118 HydrophobicContact CD1-CD2 3.76Å; L115-Y118 HydrophobicContact CD1-CE2 4.07Å; L115-Y118 HydrophobicContact CG-CD2 4.28Å; L115-Y118 WeakPolarHBondContact O-CB 3.35Å; L115-Y118 WeakPolarHBondContact O-CD2 3.46Å; L115-Y118 PolarHBondContact O-N 3.23Å; R116-Y118 PolarHBondContact O-N 3.46Å
119T35.1Very low39.4Very low127 Ų12792.4 Ų92.478%0.77955%0.548SS*.SBendtrans-156.8-12.4155.740.10000115.4G121T119-G121 PolarHBondContact O-N 3.45Å
120S34.3Very low38.8Very low118 Ų11890.3 Ų90.383%0.82553%0.534SS*.SBendtrans-85.1108.1161.2-82.60000107.8
121G29.2Very low39Very low73 Ų7389.7 Ų89.775%0.75354%0.536SS*.  trans-54.5167.5-169.100000115T119T119-G121 PolarHBondContact O-N 3.45Å
122N29.8Very low40.9Very low142 Ų14288 Ų8876%0.75951%0.514SS*.SBendtrans97.5102.3174.3-13331.9000113.9L124N122-L124 PolarHBondContact O-N 2.8Å
123D30.8Very low43.4Very low160 Ų16086.9 Ų86.986%0.85650%0.503SS*.  trans-19.287.9161.9-64.9-43.9000115.3
124L32.4Very low45.6Very low146 Ų14685.6 Ų85.676%0.76449%0.489SS*.  trans-141.870.8173.3-73.1176.7000110.9N122N122-L124 PolarHBondContact O-N 2.8Å
125S33.9Very low47.8Very low56 Ų5687.2 Ų87.239%0.39249%0.492SS..  44.6123.8126.872.60000119.8L127S125-L127 PolarHBondContact O-N 3.43Å; S125-L127 WeakPolarHBondContact OG-CB 3.45Å
126A38Very low50.4Low64 Ų6481.2 Ų81.253%0.52946%0.461SS..THydrogen-bonded Turntrans-53.29.4148.300000115
127L32.3Very low53Low92 Ų9271.8 Ų71.848%0.48243%0.425SS..THydrogen-bonded Turntrans-80-18.8178-71.1159000112.8V3 T5 S125V3-L127 HydrophobicContact CB-CD2 4.01Å; V3-L127 HydrophobicContact CG1-CD2 3.45Å; V3-L127 VanDerWaalsContact CG1-CD2 3.45Å; T5-L127 HydrophobicContact CG2-CD2 4.25Å; S125-L127 PolarHBondContact O-N 3.43Å; S125-L127 WeakPolarHBondContact OG-CB 3.45Å
128S46.2Very low55.6Low72 Ų7271.8 Ų71.850%0.50342%0.423SS..Hα-helixtrans-78.8-20.3-172.477.10000114.1K130 G131 S132S128-K130 PolarHBondContact O-N 2.98Å; S128-G131 PolarHBondContact O-N 3.29Å; S128-S132 WeakPolarHBondContact O-CB 3.38Å; S128-S132 PolarHBondContact O-N 3.45Å; S128-S132 PolarHBondContact O-OG 2.98Å
129T53.1Low58.1Low7 Ų764.8 Ų64.84%0.04340%0.396CS..Hα-helixtrans-66-35.4-173.443.60000115.2S132 A133 V203 E204T129-S132 CarbonylContact O-C 3.55Å; T129-S132 PolarHBondContact O-N 3.41Å; T129-A133 VanDerWaalsContact O-CB 3.31Å; T129-A133 WeakPolarHBondContact O-CB 3.23Å; T129-A133 PolarHBondContact O-N 3.19Å; T129-V203 HydrophobicContact CG2-CB 4.32Å; T129-E204 HydrophobicContact CG2-CB 4.4Å; T129-E204 WeakPolarHBondContact CG2-O 3.25Å
130K53.1Low60.9Low59 Ų5958.7 Ų58.726%0.25736%0.359SS..Hα-helixtrans-59.9-54.8178.8-64.6-156.7158.8-176.40111.4R4 S6 E47 S128 S132 A133 L134R4-K130 PolarHBondContact O-NZ 2.92Å; S6-K130 WeakPolarHBondContact OG-CE 3.34Å; E47-K130 WeakPolarHBondContact OE1-CA 3.24Å; E47-K130 VanDerWaalsContact OE1-CB 3.25Å; E47-K130 WeakPolarHBondContact OE1-CB 3.36Å; E47-K130 VanDerWaalsContact OE1-CD 3.31Å; E47-K130 WeakPolarHBondContact OE1-CD 3.43Å; E47-K130 WeakPolarHBondContact OE1-CG 3.26Å; E47-K130 WeakPolarHBondContact OE2-CA 3.48Å; E47-K130 WeakPolarHBondContact OE2-CB 3.46Å; S128-K130 PolarHBondContact O-N 2.98Å; K130-S132 VanDerWaalsContact C-N 3.26Å; K130-S132 PolarHBondContact O-N 3.28Å; K130-A133 PolarHBondContact O-N 3.27Å; K130-A133 VanDerWaalsContact O-N 3.15Å; K130-L134 PolarHBondContact O-N 2.95Å
131G59.2Low63.7Low25 Ų2559 Ų5926%0.25834%0.342SS..Hα-helixtrans-55.4-43173.600000111.8S128 Q135S128-G131 PolarHBondContact O-N 3.29Å; G131-Q135 VanDerWaalsContact O-CB 3.28Å; G131-Q135 WeakPolarHBondContact O-CB 3.43Å; G131-Q135 VanDerWaalsContact O-CD 3.26Å; G131-Q135 WeakPolarHBondContact O-CG 3.01Å; G131-Q135 PolarHBondContact O-N 3.4Å; G131-Q135 VanDerWaalsContact O-N 3.07Å
132S79.1Confident66.6Low31 Ų3159.6 Ų59.622%0.21732%0.324CS..Hα-helixtrans-65.7-39.8177.7-59.80000113.3S128 T129 K130 Q135 I136S128-S132 WeakPolarHBondContact O-CB 3.38Å; S128-S132 PolarHBondContact O-N 3.45Å; S128-S132 PolarHBondContact O-OG 2.98Å; T129-S132 CarbonylContact O-C 3.55Å; T129-S132 PolarHBondContact O-N 3.41Å; K130-S132 VanDerWaalsContact C-N 3.26Å; K130-S132 PolarHBondContact O-N 3.28Å; S132-Q135 PolarHBondContact O-N 3Å; S132-I136 WeakPolarHBondContact O-CB 3.35Å; S132-I136 WeakPolarHBondContact O-CD1 3.16Å; S132-I136 WeakPolarHBondContact O-CG1 3.43Å; S132-I136 PolarHBondContact O-N 3.15Å
133A87.8Confident69.4Low0 Ų052.9 Ų52.90%029%0.288CS..Hα-helixtrans-64.5-51.2-178.200000111.3F21 Y46 T129 K130 Q135 I136 L137 V203F21-A133 HydrophobicContact CD2-CB 4Å; F21-A133 HydrophobicContact CE2-CB 3.6Å; F21-A133 WeakPolarHBondContact CE2-O 3Å; F21-A133 HydrophobicContact CZ-CB 4.37Å; Y46-A133 HydrophobicContact CE1-CB 4.18Å; T129-A133 VanDerWaalsContact O-CB 3.31Å; T129-A133 WeakPolarHBondContact O-CB 3.23Å; T129-A133 PolarHBondContact O-N 3.19Å; K130-A133 PolarHBondContact O-N 3.27Å; K130-A133 VanDerWaalsContact O-N 3.15Å; A133-Q135 VanDerWaalsContact C-N 3.31Å; A133-Q135 PolarHBondContact O-N 3.28Å; A133-I136 PolarHBondContact O-N 3.43Å; A133-L137 WeakPolarHBondContact O-CG 3.49Å; A133-L137 PolarHBondContact O-N 3.34Å; A133-V203 HydrophobicContact CB-CG1 3.88Å
134L88.7Confident72.2Confident18 Ų1845.4 Ų45.49%0.09425%0.248CC..Hα-helixtrans-61.4-39.7174.6-77.2178000112Y46 E47 A49 K130 I136 L137 Q138Y46-L134 HydrophobicContact CD1-CD2 4.09Å; E47-L134 HydrophobicContact CB-CD1 3.64Å; E47-L134 HydrophobicContact CB-CD2 4.22Å; E47-L134 HydrophobicContact CB-CG 3.98Å; E47-L134 WeakPolarHBondContact OE2-CG 3.33Å; A49-L134 HydrophobicContact CB-CD2 3.72Å; K130-L134 PolarHBondContact O-N 2.95Å; L134-I136 PolarHBondContact O-N 3.31Å; L134-L137 PolarHBondContact O-N 3.22Å; L134-Q138 WeakPolarHBondContact O-CB 3.4Å; L134-Q138 VanDerWaalsContact O-CG 3.27Å; L134-Q138 WeakPolarHBondContact O-CG 3.5Å; L134-Q138 PolarHBondContact O-N 3.12Å
135Q88.1Confident74.9Confident61 Ų6143.9 Ų43.929%0.28524%0.237SC..Hα-helixtrans-63.1-40176.2-76.9168.91400112.5G131 S132 A133 Q138 T139G131-Q135 VanDerWaalsContact O-CB 3.28Å; G131-Q135 WeakPolarHBondContact O-CB 3.43Å; G131-Q135 VanDerWaalsContact O-CD 3.26Å; G131-Q135 WeakPolarHBondContact O-CG 3.01Å; G131-Q135 PolarHBondContact O-N 3.4Å; G131-Q135 VanDerWaalsContact O-N 3.07Å; S132-Q135 PolarHBondContact O-N 3Å; A133-Q135 VanDerWaalsContact C-N 3.31Å; A133-Q135 PolarHBondContact O-N 3.28Å; Q135-Q138 PolarHBondContact O-N 3.2Å; Q135-T139 WeakPolarHBondContact O-CB 3.16Å; Q135-T139 PolarHBondContact O-N 2.86Å; Q135-T139 PolarHBondContact O-OG1 3.24Å
136I92.1Very high77.3Confident3 Ų345.7 Ų45.72%0.01524%0.239CC..Hα-helixtrans-65.4-44.2175.4-69159.2000110.2F21 S132 A133 L134 Q138 T139 I140 M200 V203 V212F21-I136 HydrophobicContact CE1-CD1 4.48Å; F21-I136 HydrophobicContact CE1-CG2 4.23Å; F21-I136 HydrophobicContact CZ-CB 3.91Å; F21-I136 HydrophobicContact CZ-CD1 4.15Å; F21-I136 HydrophobicContact CZ-CG2 3.75Å; S132-I136 WeakPolarHBondContact O-CB 3.35Å; S132-I136 WeakPolarHBondContact O-CD1 3.16Å; S132-I136 WeakPolarHBondContact O-CG1 3.43Å; S132-I136 PolarHBondContact O-N 3.15Å; A133-I136 PolarHBondContact O-N 3.43Å; L134-I136 PolarHBondContact O-N 3.31Å; I136-Q138 VanDerWaalsContact C-N 3.33Å; I136-Q138 PolarHBondContact O-N 3.01Å; I136-T139 CarbonylContact O-C 3.37Å; I136-T139 WeakPolarHBondContact O-CA 3.42Å; I136-T139 WeakPolarHBondContact O-CB 3.49Å; I136-T139 PolarHBondContact O-N 3.1Å; I136-T139 VanDerWaalsContact O-N 3.13Å; I136-I140 HydrophobicContact CG2-CD1 4.16Å; I136-I140 WeakPolarHBondContact O-CG1 3.29Å; I136-I140 PolarHBondContact O-N 3.31Å; I136-M200 HydrophobicContact CG2-CB 4.41Å; I136-V203 HydrophobicContact CD1-CG1 3.79Å; I136-V212 HydrophobicContact CG2-CB 4.08Å; I136-V212 HydrophobicContact CG2-CG1 4.31Å; I136-V212 HydrophobicContact CG2-CG2 4.14Å
137L93.7Very high79.6Confident6 Ų643 Ų433%0.03122%0.216CC..Hα-helixtrans-63.4-38.1177.3-68.9168.4000112.2F21 L24 A25 Y46 L51 A133 L134 I140 R141F21-L137 HydrophobicContact CE2-CD1 4.05Å; F21-L137 HydrophobicContact CE2-CD2 4.31Å; F21-L137 HydrophobicContact CE2-CG 3.88Å; F21-L137 HydrophobicContact CZ-CG 4.41Å; L24-L137 HydrophobicContact CB-CD2 4.32Å; A25-L137 HydrophobicContact CB-CD2 4.31Å; Y46-L137 HydrophobicContact CD1-CD1 4.2Å; Y46-L137 HydrophobicContact CE1-CD1 4.38Å; L51-L137 HydrophobicContact CD1-CD1 3.7Å; A133-L137 WeakPolarHBondContact O-CG 3.49Å; A133-L137 PolarHBondContact O-N 3.34Å; L134-L137 PolarHBondContact O-N 3.22Å; L137-I140 HydrophobicContact CD2-CD1 4.43Å; L137-I140 PolarHBondContact O-N 3.12Å; L137-R141 PolarHBondContact O-N 2.95Å
138Q91.8Very high81.9Confident94 Ų9442.4 Ų42.444%0.43921%0.211SC..Hα-helixtrans-66.3-38.4172-72.3174.30.900112.2L134 Q135 I136 R141 K142L134-Q138 WeakPolarHBondContact O-CB 3.4Å; L134-Q138 VanDerWaalsContact O-CG 3.27Å; L134-Q138 WeakPolarHBondContact O-CG 3.5Å; L134-Q138 PolarHBondContact O-N 3.12Å; Q135-Q138 PolarHBondContact O-N 3.2Å; I136-Q138 VanDerWaalsContact C-N 3.33Å; I136-Q138 PolarHBondContact O-N 3.01Å; Q138-R141 WeakPolarHBondContact O-CB 3.5Å; Q138-R141 PolarHBondContact O-N 2.63Å; Q138-K142 WeakPolarHBondContact O-CG 3.44Å; Q138-K142 PolarHBondContact O-N 2.57Å
139T91.3Very high83.8Confident6 Ų644.5 Ų44.54%0.03722%0.223CC..Hα-helixtrans-62.8-44.9173.9-64.40000110.9Q135 I136 R141 K142 L143 M200 L229Q135-T139 WeakPolarHBondContact O-CB 3.16Å; Q135-T139 PolarHBondContact O-N 2.86Å; Q135-T139 PolarHBondContact O-OG1 3.24Å; I136-T139 CarbonylContact O-C 3.37Å; I136-T139 WeakPolarHBondContact O-CA 3.42Å; I136-T139 WeakPolarHBondContact O-CB 3.49Å; I136-T139 PolarHBondContact O-N 3.1Å; I136-T139 VanDerWaalsContact O-N 3.13Å; T139-R141 PolarHBondContact O-N 2.94Å; T139-K142 PolarHBondContact O-N 2.92Å; T139-L143 HydrophobicContact CG2-CD1 3.72Å; T139-L143 HydrophobicContact CG2-CG 4.23Å; T139-L143 WeakPolarHBondContact O-CB 3.32Å; T139-L143 VanDerWaalsContact O-CG 3.28Å; T139-L143 WeakPolarHBondContact O-CG 3.31Å; T139-L143 PolarHBondContact O-N 3.08Å; T139-M200 HydrophobicContact CG2-CB 3.92Å; T139-M200 HydrophobicContact CG2-CG 3.98Å; T139-M200 HydrophobicContact CG2-SD 4.28Å; T139-L229 HydrophobicContact CG2-CD2 3.56Å; T139-L229 HydrophobicContact CG2-CG 4.03Å
140I94Very high85.3Confident0 Ų045.1 Ų45.10%023%0.226CC..Hα-helixtrans-56.2-49.5172.9-71.3168.4000110.4A25 I29 I136 L137 K142 L143 C144 M200A25-I140 HydrophobicContact CB-CD1 3.78Å; I29-I140 HydrophobicContact CG1-CG2 3.69Å; I136-I140 HydrophobicContact CG2-CD1 4.16Å; I136-I140 WeakPolarHBondContact O-CG1 3.29Å; I136-I140 PolarHBondContact O-N 3.31Å; L137-I140 HydrophobicContact CD2-CD1 4.43Å; L137-I140 PolarHBondContact O-N 3.12Å; I140-K142 PolarHBondContact O-N 2.94Å; I140-L143 PolarHBondContact O-N 2.71Å; I140-C144 WeakPolarHBondContact O-CB 3.2Å; I140-C144 PolarHBondContact O-N 3.28Å; I140-C144 PolarHBondContact O-SG 3Å; I140-M200 HydrophobicContact CD1-SD 4.48Å; I140-M200 HydrophobicContact CG1-CE 4.45Å; I140-M200 HydrophobicContact CG1-SD 3.48Å; I140-M200 WeakPolarHBondContact CG1-SD 3.33Å
141R93.3Very high86.4Confident123 Ų12345.1 Ų45.146%0.46423%0.232SC..Hα-helixtrans-54.5-53.5177.5174.5180178.5170.2-2.4111.5Y32 L137 Q138 T139 C144 Q145Y32-R141 HydrophobicContact CD1-CG 4.24Å; Y32-R141 HydrophobicContact CD2-CB 3.99Å; Y32-R141 HydrophobicContact CD2-CG 4.25Å; Y32-R141 HydrophobicContact CE1-CB 4.47Å; Y32-R141 HydrophobicContact CE1-CG 3.76Å; Y32-R141 HydrophobicContact CE2-CB 3.55Å; Y32-R141 HydrophobicContact CE2-CG 3.77Å; Y32-R141 HydrophobicContact CG-CG 4.48Å; Y32-R141 WeakPolarHBondContact OH-CD 3.07Å; L137-R141 PolarHBondContact O-N 2.95Å; Q138-R141 WeakPolarHBondContact O-CB 3.5Å; Q138-R141 PolarHBondContact O-N 2.63Å; T139-R141 PolarHBondContact O-N 2.94Å; R141-C144 PolarHBondContact O-N 3.12Å; R141-Q145 VanDerWaalsContact O-CG 3.29Å; R141-Q145 WeakPolarHBondContact O-CG 3.45Å; R141-Q145 PolarHBondContact O-N 2.82Å
142K89.6Confident86.8Confident87 Ų8750.5 Ų50.538%0.37825%0.248SC..Hα-helixtrans-61.4-47-179-73.4-178176.3-171.10111.1Q138 T139 I140 C144 Q145 H146 P230Q138-K142 WeakPolarHBondContact O-CG 3.44Å; Q138-K142 PolarHBondContact O-N 2.57Å; T139-K142 PolarHBondContact O-N 2.92Å; I140-K142 PolarHBondContact O-N 2.94Å; K142-C144 PolarHBondContact O-N 2.99Å; K142-Q145 PolarHBondContact O-N 2.83Å; K142-H146 PolarHBondContact O-N 3.08Å; K142-H146 PolarHBondContact O-ND1 3.45Å; K142-P230 HydrophobicContact CD-CG 4.04Å
143L88.4Confident86.4Confident0 Ų053.5 Ų53.50%026%0.259CS..Hα-helixtrans-58.7-50.5178.9-75.7172.1000111.5T139 I140 Q145 H146 L147 L198 M200 I214 I224 L229T139-L143 HydrophobicContact CG2-CD1 3.72Å; T139-L143 HydrophobicContact CG2-CG 4.23Å; T139-L143 WeakPolarHBondContact O-CB 3.32Å; T139-L143 VanDerWaalsContact O-CG 3.28Å; T139-L143 WeakPolarHBondContact O-CG 3.31Å; T139-L143 PolarHBondContact O-N 3.08Å; I140-L143 PolarHBondContact O-N 2.71Å; L143-Q145 PolarHBondContact O-N 3.5Å; L143-Q145 VanDerWaalsContact O-N 3.16Å; L143-H146 PolarHBondContact O-N 2.85Å; L143-L147 WeakPolarHBondContact O-CG 3.45Å; L143-L147 PolarHBondContact O-N 2.83Å; L143-L198 HydrophobicContact CD2-CD1 4.06Å; L143-M200 HydrophobicContact CD1-CE 3.29Å; L143-M200 HydrophobicContact CD1-CG 3.8Å; L143-M200 HydrophobicContact CD1-SD 3.57Å; L143-M200 VanDerWaalsContact CD1-SD 3.57Å; L143-I214 HydrophobicContact CD1-CG2 4.24Å; L143-I224 HydrophobicContact CD2-CD1 3.39Å; L143-I224 HydrophobicContact CD2-CG2 4.01Å; L143-L229 HydrophobicContact CD1-CD2 4.44Å; L143-L229 HydrophobicContact CD2-CD1 3.71Å; L143-L229 HydrophobicContact CD2-CD2 4.42Å; L143-L229 HydrophobicContact CG-CD1 4.27Å
144C90.7Very high86Confident4 Ų453.8 Ų53.83%0.02726%0.261CS..Hα-helixtrans-60.1-27.5179.4-69.10000113.8Y32 R33 Y101 I140 R141 K142Y32-C144 VanDerWaalsContact CB-CB 3.44Å; Y32-C144 HydrophobicContact CG-CB 4.45Å; R33-C144 HydrophobicContact CG-CB 4.26Å; Y101-C144 PolarHBondContact OH-SG 3.02Å; I140-C144 WeakPolarHBondContact O-CB 3.2Å; I140-C144 PolarHBondContact O-N 3.28Å; I140-C144 PolarHBondContact O-SG 3Å; R141-C144 PolarHBondContact O-N 3.12Å; K142-C144 PolarHBondContact O-N 2.99Å
145Q87.9Confident85.6Confident114 Ų11452.9 Ų52.953%0.53326%0.256SS..Hα-helixtrans-76.8-28.8175.7-72.7174.3-31.300113.4R141 K142 L143R141-Q145 VanDerWaalsContact O-CG 3.29Å; R141-Q145 WeakPolarHBondContact O-CG 3.45Å; R141-Q145 PolarHBondContact O-N 2.82Å; K142-Q145 PolarHBondContact O-N 2.83Å; L143-Q145 PolarHBondContact O-N 3.5Å; L143-Q145 VanDerWaalsContact O-N 3.16Å
146H83.8Confident85.5Confident93 Ų9350 Ų5043%0.43124%0.243SC..Hα-helixtrans-89.2-23.4178.1-66.889.5000112.9K142 L143 N222 I224K142-H146 PolarHBondContact O-N 3.08Å; K142-H146 PolarHBondContact O-ND1 3.45Å; L143-H146 PolarHBondContact O-N 2.85Å; H146-N222 PolarHBondContact O-OD1 3.36Å; H146-I224 HydrophobicContact CB-CD1 4.32Å; H146-I224 HydrophobicContact CB-CG1 4.23Å
147L86.3Confident85.2Confident9 Ų949.9 Ų49.95%0.04724%0.242CC..SBendtrans-63.8143.7174.3-70.6173.4000111.5D99 Y101 L143 I214 Y216 I224D99-L147 HydrophobicContact CB-CD1 4.37Å; Y101-L147 WeakPolarHBondContact OH-CD1 3.26Å; L143-L147 WeakPolarHBondContact O-CG 3.45Å; L143-L147 PolarHBondContact O-N 2.83Å; L147-I214 HydrophobicContact CD1-CD1 3.81Å; L147-Y216 HydrophobicContact CD2-CD2 3.93Å; L147-Y216 HydrophobicContact CD2-CE2 4.26Å; L147-Y216 HydrophobicContact CD2-CG 4.09Å; L147-I224 HydrophobicContact CD2-CD1 4.22Å
148E82Confident84.9Confident78 Ų7849.8 Ų49.836%0.36424%0.242SC..PPolyproline II helixtrans-51.7136.8177.9-130.3-177.4-163.600111.8R33 L150 K189 Y219R33-E148 PolarHBondContact NH1-O 2.67Å; R33-E148 PolarHBondContact NH2-O 2.81Å; R33-E148 VanDerWaalsContact NH2-O 3.12Å; E148-L150 PolarHBondContact O-N 2.8Å; E148-K189 IonicContact OE1-NZ 3.46Å; E148-K189 IonicContact OE2-NZ 3.78Å; E148-K189 PolarHBondContact OE2-NZ 3.12Å; E148-Y219 WeakPolarHBondContact CB-OH 3.33Å; E148-Y219 WeakPolarHBondContact CG-OH 3.09Å; E148-Y219 VanDerWaalsContact OE1-CZ 3.3Å; E148-Y219 PolarHBondContact OE1-OH 3.32Å; E148-Y219 PolarHBondContact OE2-OH 2.83Å
149P84.5Confident84.7Confident117 Ų11746.4 Ų46.476%0.7623%0.225SC*.PPolyproline II helixtrans-58133.5175.1-24.834.1000111.5
150L84.6Confident84.5Confident20 Ų2047.2 Ų47.211%0.10523%0.229CC..PPolyproline II helixtrans-67.2146.8175.8-65.9169000111.1R33 L35 V87 E148 A154R33-L150 HydrophobicContact CB-CD1 4.21Å; R33-L150 VanDerWaalsContact NH2-CG 3.3Å; L35-L150 HydrophobicContact CD2-CD1 3.36Å; L35-L150 HydrophobicContact CG-CD1 4.47Å; V87-L150 HydrophobicContact CG1-CD1 3.54Å; V87-L150 HydrophobicContact CG1-CD2 3.53Å; V87-L150 HydrophobicContact CG1-CG 4.18Å; E148-L150 PolarHBondContact O-N 2.8Å; L150-A154 HydrophobicContact CB-CB 4.05Å; L150-A154 HydrophobicContact CD1-CB 4.03Å; L150-A154 HydrophobicContact CD2-CB 4.44Å; L150-A154 HydrophobicContact CG-CB 4.4Å
151P76.9Confident84.3Confident59 Ų5947.9 Ų47.938%0.38323%0.234SC..PPolyproline II helixtrans-66.9170.8170.831.6-35.6000110.9D89 E153 L254D89-P151 HydrophobicContact CB-CG 3.53Å; P151-E153 PolarHBondContact O-N 2.86Å; P151-L254 WeakPolarHBondContact O-CD2 3.48Å
152K68.4Low83.9Confident137 Ų13744 Ų4460%0.59622%0.219SC*.SBendtrans-55.2-28.3-178.8-68.9178.9-176.6166.20114
153E70Confident83.6Confident94 Ų9440.7 Ų40.744%0.43921%0.205SC..SBendtrans-116.994.3179.3-61.1-173.5-177.900107.6D89 P151 K257D89-E153 CarbonylContact C-O 3.39Å; P151-E153 PolarHBondContact O-N 2.86Å; E153-K257 HydrophobicContact CG-CB 4.22Å; E153-K257 HydrophobicContact CG-CD 3.71Å; E153-K257 WeakPolarHBondContact OE1-CD 3.45Å; E153-K257 IonicContact OE1-NZ 2.77Å; E153-K257 PolarHBondContact OE1-NZ 3.4Å
154A78.9Confident83.3Confident6 Ų646.2 Ų46.25%0.0523%0.234CC..  trans-113.3156.217200000109.2C88 L150 C258 Q259C88-A154 CarbonylContact O-C 3.58Å; C88-A154 WeakPolarHBondContact O-CA 3.42Å; C88-A154 VanDerWaalsContact O-CB 3.32Å; C88-A154 WeakPolarHBondContact O-CB 3.37Å; L150-A154 HydrophobicContact CB-CB 4.05Å; L150-A154 HydrophobicContact CD1-CB 4.03Å; L150-A154 HydrophobicContact CD2-CB 4.44Å; L150-A154 HydrophobicContact CG-CB 4.4Å; A154-C258 WeakPolarHBondContact O-CA 3.41Å; A154-Q259 PolarHBondContact O-N 3.42Å
155G80.7Confident82.9Confident0 Ų052.5 Ų52.50%026%0.263CS..EExtended strand (participates in β ladder)trans-128.3159.5175.300000111.5V87 C88 Q259V87-G155 WeakPolarHBondContact CA-O 3.35Å; C88-G155 PolarHBondContact N-O 2.74Å; C88-G155 PolarHBondContact O-N 3.22Å; C88-G155 VanDerWaalsContact SG-C 3.56Å; C88-G155 WeakPolarHBondContact SG-CA 3.03Å; C88-G155 PolarHBondContact SG-O 3.03Å; C88-G155 VanDerWaalsContact SG-O 3.36Å; G155-Q259 CarbonylContact C-O 3Å; G155-Q259 WeakPolarHBondContact CA-O 3.46Å
156I87.3Confident82.8Confident0 Ų050.8 Ų50.80%025%0.252CS..EExtended strand (participates in β ladder)trans-105.5130.3171.3-62.5167.4000107.4L35 F36 L64 F85 G86 L158 Q259 L260 L261L35-I156 HydrophobicContact CB-CD1 4.26Å; L35-I156 HydrophobicContact CD1-CD1 3.86Å; L35-I156 HydrophobicContact CD1-CG1 3.88Å; F36-I156 HydrophobicContact CE2-CD1 3.56Å; F36-I156 HydrophobicContact CZ-CD1 3.65Å; L64-I156 HydrophobicContact CD2-CD1 4.14Å; F85-I156 HydrophobicContact CD2-CG2 4.21Å; F85-I156 HydrophobicContact CE1-CG2 4.27Å; F85-I156 HydrophobicContact CE2-CD1 4.38Å; F85-I156 HydrophobicContact CE2-CG2 3.6Å; F85-I156 HydrophobicContact CZ-CB 4.48Å; F85-I156 HydrophobicContact CZ-CD1 3.83Å; F85-I156 HydrophobicContact CZ-CG1 3.98Å; F85-I156 HydrophobicContact CZ-CG2 3.64Å; G86-I156 CarbonylContact O-C 3.52Å; G86-I156 WeakPolarHBondContact O-CA 3.33Å; I156-L158 HydrophobicContact CG2-CG 4.32Å; I156-Q259 PolarHBondContact N-O 2.91Å; I156-L260 HydrophobicContact CB-CD1 3.69Å; I156-L260 HydrophobicContact CG2-CD1 3.49Å; I156-L260 VanDerWaalsContact CG2-CD1 3.49Å; I156-L260 CarbonylContact O-C 3.53Å; I156-L260 WeakPolarHBondContact O-CA 3.48Å; I156-L261 PolarHBondContact O-N 3.32Å
157S84Confident82.8Confident0 Ų047.2 Ų47.20%024%0.236CC..EExtended strand (participates in β ladder)trans-118140.3171.5-160.60000108.6G86 S94 F184G86-S157 WeakPolarHBondContact CA-O 3.13Å; G86-S157 PolarHBondContact N-O 3.16Å; G86-S157 PolarHBondContact O-N 3.32Å; S94-S157 WeakPolarHBondContact O-CB 3Å; S94-S157 PolarHBondContact O-OG 3.47Å; S94-S157 VanDerWaalsContact O-OG 3.12Å; S157-F184 VanDerWaalsContact OG-CE1 3.3Å; S157-F184 WeakPolarHBondContact OG-CE1 3.47Å; S157-F184 WeakPolarHBondContact OG-CZ 3.35Å
158L88.2Confident82.8Confident4 Ų449.3 Ų49.32%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-128.7123-177.9-75.2170.5000109.7L64 C67 I83 M84 F85 I156 F176 L260 A262L64-L158 HydrophobicContact CD1-CD1 3.67Å; C67-L158 HydrophobicContact CB-CD1 4.08Å; C67-L158 WeakPolarHBondContact SG-CD1 3.38Å; I83-L158 HydrophobicContact CG2-CD2 4.32Å; M84-L158 WeakPolarHBondContact O-CA 3.31Å; F85-L158 HydrophobicContact CB-CD2 3.93Å; F85-L158 HydrophobicContact CD2-CD2 3.61Å; F85-L158 HydrophobicContact CE2-CD2 4.47Å; F85-L158 HydrophobicContact CG-CD2 4.11Å; I156-L158 HydrophobicContact CG2-CG 4.32Å; L158-F176 HydrophobicContact CB-CE1 4.05Å; L158-L260 HydrophobicContact CD1-CD1 3.99Å; L158-L260 HydrophobicContact CG-CD1 4.4Å; L158-A262 HydrophobicContact CB-CB 4.33Å; L158-A262 WeakPolarHBondContact O-CB 3.28Å
159K86.8Confident82.5Confident23 Ų2354.7 Ų54.710%0.128%0.281CS..EExtended strand (participates in β ladder)trans-115.9147164.3-78.4178.5-174.8-173.20109.1M84 E95 S181 L183 F184M84-K159 HydrophobicContact CB-CB 4.18Å; M84-K159 PolarHBondContact N-O 2.87Å; M84-K159 PolarHBondContact O-N 3.11Å; M84-K159 VanDerWaalsContact O-N 3.1Å; M84-K159 HydrophobicContact SD-CB 4.3Å; E95-K159 WeakPolarHBondContact OE1-CE 3.23Å; E95-K159 IonicContact OE1-NZ 3.76Å; E95-K159 WeakPolarHBondContact OE2-CE 3.16Å; E95-K159 IonicContact OE2-NZ 3.1Å; E95-K159 PolarHBondContact OE2-NZ 3.36Å; K159-S181 PolarHBondContact NZ-O 2.87Å; K159-L183 PolarHBondContact NZ-O 3.19Å; K159-F184 HydrophobicContact CB-CE2 3.83Å; K159-F184 HydrophobicContact CB-CZ 3.89Å; K159-F184 HydrophobicContact CD-CD1 4.14Å; K159-F184 HydrophobicContact CD-CD2 4.18Å; K159-F184 HydrophobicContact CD-CE1 3.74Å; K159-F184 HydrophobicContact CD-CE2 3.81Å; K159-F184 HydrophobicContact CD-CG 4.36Å; K159-F184 HydrophobicContact CD-CZ 3.59Å; K159-F184 VanDerWaalsContact CE-CE1 3.46Å; K159-F184 HydrophobicContact CG-CE1 3.96Å; K159-F184 HydrophobicContact CG-CE2 3.82Å; K159-F184 HydrophobicContact CG-CZ 3.42Å; K159-F184 VanDerWaalsContact CG-CZ 3.42Å
160I89.1Confident82.2Confident23 Ų2356 Ų5612%0.11828%0.281CS..EExtended strand (participates in β ladder)trans-125.1148.5169.457.3-179000108.8L80 Q82 I83 Y162 P173 F176L80-I160 HydrophobicContact CD1-CB 3.66Å; L80-I160 HydrophobicContact CD1-CD1 4.49Å; L80-I160 HydrophobicContact CD1-CG2 3.9Å; Q82-I160 VanDerWaalsContact O-CA 3.24Å; Q82-I160 WeakPolarHBondContact O-CA 3.35Å; I83-I160 HydrophobicContact CG1-CG2 4.26Å; I83-I160 HydrophobicContact CG2-CG2 4.5Å; I160-Y162 HydrophobicContact CD1-CE1 3.62Å; I160-Y162 WeakPolarHBondContact CD1-OH 3.36Å; I160-Y162 HydrophobicContact CG1-CE1 3.92Å; I160-P173 HydrophobicContact CD1-CB 4.43Å; I160-P173 HydrophobicContact CD1-CG 3.54Å; I160-F176 HydrophobicContact CB-CD1 4.49Å; I160-F176 HydrophobicContact CB-CE1 4.26Å; I160-F176 HydrophobicContact CD1-CB 4.1Å; I160-F176 HydrophobicContact CD1-CD1 3.61Å; I160-F176 HydrophobicContact CD1-CD2 3.55Å; I160-F176 HydrophobicContact CD1-CE1 3.88Å; I160-F176 HydrophobicContact CD1-CE2 3.82Å; I160-F176 HydrophobicContact CD1-CG 3.44Å; I160-F176 VanDerWaalsContact CD1-CG 3.44Å; I160-F176 HydrophobicContact CD1-CZ 3.98Å; I160-F176 HydrophobicContact CG1-CD1 3.61Å; I160-F176 HydrophobicContact CG1-CD2 4.47Å; I160-F176 HydrophobicContact CG1-CE1 3.85Å; I160-F176 HydrophobicContact CG1-CG 3.95Å; I160-F176 HydrophobicContact CG1-CZ 4.39Å; I160-F176 HydrophobicContact CG2-CD1 4.31Å; I160-F176 HydrophobicContact CG2-CE1 3.63Å; I160-F176 HydrophobicContact CG2-CE2 4.48Å; I160-F176 HydrophobicContact CG2-CZ 3.73Å
161V88.2Confident82Confident15 Ų1556.6 Ų56.69%0.09128%0.282CS..EExtended strand (participates in β ladder)trans-126.9136.5178.4-164.20000108.5R81 Q82R81-V161 WeakPolarHBondContact CA-O 3.44Å; R81-V161 WeakPolarHBondContact CB-O 3.47Å; R81-V161 VanDerWaalsContact CZ-CG1 3.41Å; R81-V161 PolarHBondContact N-O 2.89Å; Q82-V161 HydrophobicContact CB-CB 4.17Å; Q82-V161 HydrophobicContact CB-CG2 4.23Å; Q82-V161 PolarHBondContact N-O 2.83Å; Q82-V161 PolarHBondContact O-N 3.33Å
162Y85Confident81.7Confident41 Ų4157.9 Ų57.916%0.16128%0.283CS..EExtended strand (participates in β ladder)trans-98.6167.9-175.3-50.4-51.7000112.8Y79 R81 I160 T167 Y171 P173Y79-Y162 CarbonylContact O-C 3.47Å; Y79-Y162 WeakPolarHBondContact O-CA 3.3Å; Y79-Y162 WeakPolarHBondContact O-CB 3.4Å; R81-Y162 PolarHBondContact NH1-O 3.14Å; I160-Y162 HydrophobicContact CD1-CE1 3.62Å; I160-Y162 WeakPolarHBondContact CD1-OH 3.36Å; I160-Y162 HydrophobicContact CG1-CE1 3.92Å; Y162-T167 HydrophobicContact CD2-CG2 4.12Å; Y162-T167 HydrophobicContact CG-CG2 4.11Å; Y162-Y171 HydrophobicContact CE1-CE1 4.47Å; Y162-P173 HydrophobicContact CE1-CG 4.06Å; Y162-P173 WeakPolarHBondContact OH-CD 3.38Å; Y162-P173 WeakPolarHBondContact OH-CG 3.46Å
163Y84.1Confident82Confident18 Ų1851.4 Ų51.47%0.07126%0.255CS..  trans-84.9102.8155.2-70.2-74.8000108Y79 R81 I105 Y107 E165 R166 T167Y79-Y163 PolarHBondContact O-N 2.65Å; R81-Y163 VanDerWaalsContact CA-CE2 3.5Å; R81-Y163 HydrophobicContact CB-CD1 4.32Å; R81-Y163 HydrophobicContact CB-CD2 3.83Å; R81-Y163 HydrophobicContact CB-CE1 4.15Å; R81-Y163 HydrophobicContact CB-CE2 3.62Å; R81-Y163 HydrophobicContact CB-CG 4.19Å; R81-Y163 HydrophobicContact CG-CD1 4.31Å; R81-Y163 HydrophobicContact CG-CD2 4.47Å; R81-Y163 HydrophobicContact CG-CE1 3.76Å; R81-Y163 HydrophobicContact CG-CE2 3.93Å; I105-Y163 PolarHBondContact O-OH 2.72Å; Y107-Y163 HydrophobicContact CD2-CD2 4.07Å; Y107-Y163 AromaticContact CD2-CE2 3.64Å; Y107-Y163 HydrophobicContact CD2-CE2 3.64Å; Y107-Y163 AromaticContact CE2-CD2 3.91Å; Y107-Y163 HydrophobicContact CE2-CD2 3.91Å; Y107-Y163 AromaticContact CE2-CE2 3.6Å; Y107-Y163 HydrophobicContact CE2-CE2 3.6Å; Y163-E165 VanDerWaalsContact CD1-OE1 3.32Å; Y163-E165 WeakPolarHBondContact CD1-OE1 3.37Å; Y163-E165 PolarHBondContact O-N 3.42Å; Y163-R166 PolarHBondContact O-N 3.45Å; Y163-R166 VanDerWaalsContact O-N 3.11Å; Y163-T167 WeakPolarHBondContact O-CB 3.43Å; Y163-T167 PolarHBondContact O-N 3.01Å; Y163-T167 VanDerWaalsContact O-N 3.12Å; Y163-T167 PolarHBondContact O-OG1 2.9Å
164D81.3Confident82.1Confident115 Ų11551.7 Ų51.762%0.61526%0.263SS*.THydrogen-bonded Turntrans-60.8-33.2-174.4-66.6-29.5000111.7R166 T167D164-R166 PolarHBondContact O-N 2.92Å; D164-R166 VanDerWaalsContact O-N 3.17Å; D164-T167 PolarHBondContact O-N 2.94Å
165E82.8Confident81.5Confident136 Ų13651.4 Ų51.464%0.63626%0.261SS*.THydrogen-bonded Turntrans-64.1-17.4178.463.8-89.1-155.300114.2Y163Y163-E165 VanDerWaalsContact CD1-OE1 3.32Å; Y163-E165 WeakPolarHBondContact CD1-OE1 3.37Å; Y163-E165 PolarHBondContact O-N 3.42Å
166R85Confident81.1Confident79 Ų7951.9 Ų51.930%0.29826%0.263SS..THydrogen-bonded Turntrans-118.9-12.5-178.8-70.5172.1-171166.19.9113.7Y79 D109 D110 Y163 D164Y79-R166 HydrophobicContact CD1-CB 4.33Å; Y79-R166 WeakPolarHBondContact CD1-O 3.42Å; Y79-R166 WeakPolarHBondContact CE1-O 3.44Å; D109-R166 PolarHBondContact O-NH2 3.14Å; D110-R166 IonicContact OD1-CZ 2.99Å; D110-R166 IonicContact OD1-NH1 3.62Å; D110-R166 PolarHBondContact OD1-NH1 3.23Å; D110-R166 IonicContact OD1-NH2 2.67Å; D110-R166 PolarHBondContact OD1-NH2 3.48Å; Y163-R166 PolarHBondContact O-N 3.45Å; Y163-R166 VanDerWaalsContact O-N 3.11Å; D164-R166 PolarHBondContact O-N 2.92Å; D164-R166 VanDerWaalsContact O-N 3.17Å
167T84.1Confident80.1Confident17 Ų1758.3 Ų58.310%0.10430%0.295CS..SBendtrans-99.8119.3-171.3-53.70000110.1Y79 Y162 Y163 D164 Y171Y79-T167 WeakPolarHBondContact CB-OG1 3.31Å; Y79-T167 HydrophobicContact CD2-CG2 3.97Å; Y79-T167 HydrophobicContact CG-CG2 4.14Å; Y162-T167 HydrophobicContact CD2-CG2 4.12Å; Y162-T167 HydrophobicContact CG-CG2 4.11Å; Y163-T167 WeakPolarHBondContact O-CB 3.43Å; Y163-T167 PolarHBondContact O-N 3.01Å; Y163-T167 VanDerWaalsContact O-N 3.12Å; Y163-T167 PolarHBondContact O-OG1 2.9Å; D164-T167 PolarHBondContact O-N 2.94Å; T167-Y171 HydrophobicContact CG2-CD1 3.63Å; T167-Y171 HydrophobicContact CG2-CG 4.15Å
168P86Confident79.4Confident54 Ų5462.9 Ų62.935%0.35132%0.324SS..  trans-57.4141.1176.3-24.733.9000112.1N170 Y171P168-N170 WeakPolarHBondContact CB-OD1 3.28Å; P168-N170 PolarHBondContact O-N 2.72Å; P168-N170 VanDerWaalsContact O-N 3.08Å; P168-Y171 VanDerWaalsContact O-CB 3.23Å; P168-Y171 WeakPolarHBondContact O-CB 3.25Å; P168-Y171 PolarHBondContact O-N 2.96Å
169L77Confident78.3Confident190 Ų19065.6 Ų65.6100%0.99535%0.353SS*.THydrogen-bonded Turntrans-59.4-24.3-178.3-68173.3000114.3
170N78.8Confident77.2Confident144 Ų14474.6 Ų74.677%0.7740%0.396SS*.THydrogen-bonded Turntrans-96.12.6177.969.3-23.8000113.4P168 Q172P168-N170 WeakPolarHBondContact CB-OD1 3.28Å; P168-N170 PolarHBondContact O-N 2.72Å; P168-N170 VanDerWaalsContact O-N 3.08Å; N170-Q172 PolarHBondContact O-N 2.9Å
171Y78.6Confident76.3Confident34 Ų3476.6 Ų76.613%0.13341%0.412CS..  trans-74.2123.7178.1177.8-100.7000110.1D73 C74 Y79 Y162 T167 P168 P173D73-Y171 PolarHBondContact OD2-OH 2.69Å; C74-Y171 PolarHBondContact N-OH 3.27Å; C74-Y171 PolarHBondContact SG-OH 2.82Å; Y79-Y171 AromaticContact CD2-CD1 3.79Å; Y79-Y171 HydrophobicContact CD2-CD1 3.79Å; Y79-Y171 HydrophobicContact CD2-CD2 4.2Å; Y79-Y171 AromaticContact CD2-CE1 3.67Å; Y79-Y171 HydrophobicContact CD2-CE1 3.67Å; Y79-Y171 HydrophobicContact CD2-CE2 4.1Å; Y79-Y171 HydrophobicContact CD2-CG 4.04Å; Y79-Y171 AromaticContact CD2-CZ 3.82Å; Y79-Y171 HydrophobicContact CE2-CD1 4.22Å; Y79-Y171 AromaticContact CE2-CD2 3.9Å; Y79-Y171 HydrophobicContact CE2-CD2 3.9Å; Y79-Y171 HydrophobicContact CE2-CE1 4.34Å; Y79-Y171 HydrophobicContact CE2-CE2 4.04Å; Y79-Y171 AromaticContact CE2-CG 3.98Å; Y79-Y171 HydrophobicContact CE2-CG 3.98Å; Y162-Y171 HydrophobicContact CE1-CE1 4.47Å; T167-Y171 HydrophobicContact CG2-CD1 3.63Å; T167-Y171 HydrophobicContact CG2-CG 4.15Å; P168-Y171 VanDerWaalsContact O-CB 3.23Å; P168-Y171 WeakPolarHBondContact O-CB 3.25Å; P168-Y171 PolarHBondContact O-N 2.96Å; Y171-P173 HydrophobicContact CE1-CB 4.05Å; Y171-P173 HydrophobicContact CE1-CG 4.03Å
172Q72.3Confident75.5Confident85 Ų8581.5 Ų81.540%0.39743%0.433SS..  trans-132.2108.1176.9-172.162.751.400108.9N170 F176 M177N170-Q172 PolarHBondContact O-N 2.9Å; Q172-F176 PolarHBondContact NE2-O 3.1Å; Q172-M177 VanDerWaalsContact NE2-CA 3.32Å
173P74.5Confident75.2Confident2 Ų284.8 Ų84.81%0.01345%0.453CS..  trans-70.4143.318024.8-28.6000111.4C74 I160 Y162 Y171 G175 F176C74-P173 WeakPolarHBondContact SG-CB 3.33Å; C74-P173 VanDerWaalsContact SG-CG 3.57Å; I160-P173 HydrophobicContact CD1-CB 4.43Å; I160-P173 HydrophobicContact CD1-CG 3.54Å; Y162-P173 HydrophobicContact CE1-CG 4.06Å; Y162-P173 WeakPolarHBondContact OH-CD 3.38Å; Y162-P173 WeakPolarHBondContact OH-CG 3.46Å; Y171-P173 HydrophobicContact CE1-CB 4.05Å; Y171-P173 HydrophobicContact CE1-CG 4.03Å; P173-G175 PolarHBondContact O-N 2.9Å; P173-F176 HydrophobicContact CB-CD2 4.3Å; P173-F176 HydrophobicContact CG-CB 4.09Å; P173-F176 HydrophobicContact CG-CD2 4.13Å; P173-F176 HydrophobicContact CG-CG 4.37Å; P173-F176 PolarHBondContact O-N 3.34Å; P173-F176 VanDerWaalsContact O-N 3.12Å
174V70.7Confident75Confident100 Ų10084.4 Ų84.461%0.60645%0.452SS*.THydrogen-bonded Turntrans-57.6127.5-179.7178.20000109.4G70G70-V174 WeakPolarHBondContact CA-O 3.42Å
175G66.8Low75Confident0 Ų082.2 Ų82.20%045%0.446CS..THydrogen-bonded Turntrans94.7-3.2179.600000115.2P173 Y263 H264P173-G175 PolarHBondContact O-N 2.9Å; G175-Y263 CarbonylContact O-C 3.5Å; G175-Y263 VanDerWaalsContact O-CA 3.31Å; G175-Y263 WeakPolarHBondContact O-CA 3.48Å; G175-Y263 WeakPolarHBondContact O-CD2 2.94Å; G175-H264 VanDerWaalsContact CA-O 3.31Å; G175-H264 WeakPolarHBondContact CA-O 2.99Å; G175-H264 PolarHBondContact O-N 3.47Å
176F72.9Confident74.8Confident9 Ų977.8 Ų77.84%0.03942%0.424CS..  trans-123.1160.4179.3-64.9-90.4000111.4C67 C71 L158 I160 Q172 P173 H264C67-F176 WeakPolarHBondContact O-CE2 3.37Å; C67-F176 WeakPolarHBondContact SG-CZ 3.2Å; C71-F176 WeakPolarHBondContact SG-CZ 3.37Å; L158-F176 HydrophobicContact CB-CE1 4.05Å; I160-F176 HydrophobicContact CB-CD1 4.49Å; I160-F176 HydrophobicContact CB-CE1 4.26Å; I160-F176 HydrophobicContact CD1-CB 4.1Å; I160-F176 HydrophobicContact CD1-CD1 3.61Å; I160-F176 HydrophobicContact CD1-CD2 3.55Å; I160-F176 HydrophobicContact CD1-CE1 3.88Å; I160-F176 HydrophobicContact CD1-CE2 3.82Å; I160-F176 HydrophobicContact CD1-CG 3.44Å; I160-F176 VanDerWaalsContact CD1-CG 3.44Å; I160-F176 HydrophobicContact CD1-CZ 3.98Å; I160-F176 HydrophobicContact CG1-CD1 3.61Å; I160-F176 HydrophobicContact CG1-CD2 4.47Å; I160-F176 HydrophobicContact CG1-CE1 3.85Å; I160-F176 HydrophobicContact CG1-CG 3.95Å; I160-F176 HydrophobicContact CG1-CZ 4.39Å; I160-F176 HydrophobicContact CG2-CD1 4.31Å; I160-F176 HydrophobicContact CG2-CE1 3.63Å; I160-F176 HydrophobicContact CG2-CE2 4.48Å; I160-F176 HydrophobicContact CG2-CZ 3.73Å; Q172-F176 PolarHBondContact NE2-O 3.1Å; P173-F176 HydrophobicContact CB-CD2 4.3Å; P173-F176 HydrophobicContact CG-CB 4.09Å; P173-F176 HydrophobicContact CG-CD2 4.13Å; P173-F176 HydrophobicContact CG-CG 4.37Å; P173-F176 PolarHBondContact O-N 3.34Å; P173-F176 VanDerWaalsContact O-N 3.12Å; F176-H264 VanDerWaalsContact O-CB 3.29Å; F176-H264 WeakPolarHBondContact O-CB 3.31Å
177M66.4Low74.2Confident136 Ų13677.5 Ų77.567%0.6742%0.423SS*.  trans-130.4160.1170.661.1-179.6-82.500109.3Q172 G179Q172-M177 VanDerWaalsContact NE2-CA 3.32Å; M177-G179 PolarHBondContact O-N 3.37Å
178P68.1Low73.3Confident96 Ų9684 Ų8462%0.62345%0.452SS*.  trans-55.7128.5172.9-24.535.3000110.7
179G65.2Low72.2Confident61 Ų6184.7 Ų84.763%0.62945%0.449SS*.  trans-86.3146.7175.900000111.4M177 S181M177-G179 PolarHBondContact O-N 3.37Å; G179-S181 VanDerWaalsContact C-N 3.31Å
180E64Low71.3Confident211 Ų21181.4 Ų81.499%0.98644%0.442SS*.SBendtrans-75.9-22.8172.8-63.1-178.1177.700112.5
181S70.6Confident70.1Confident65 Ų6577.9 Ų77.946%0.45544%0.44SS..  trans-146.3140.3-178.7171.10000110.4K159 G179 L183K159-S181 PolarHBondContact NZ-O 2.87Å; G179-S181 VanDerWaalsContact C-N 3.31Å; S181-L183 VanDerWaalsContact C-N 3.27Å; S181-L183 PolarHBondContact O-N 3.13Å; S181-L183 PolarHBondContact OG-N 2.94Å; S181-L183 PolarHBondContact OG-O 3.24Å
182E71.8Confident68.8Low118 Ų11884.8 Ų84.855%0.55147%0.471SS*.SBendtrans-67.5-27.4175.6-62.5-171.517500112.8
183L77.9Confident68.1Low111 Ų11182.5 Ų82.558%0.58147%0.465SS*.SBendtrans-108.1151.5-172.1-59.8179.5000111.8M84 K159 S181M84-L183 HydrophobicContact CE-CD2 4.4Å; K159-L183 PolarHBondContact NZ-O 3.19Å; S181-L183 VanDerWaalsContact C-N 3.27Å; S181-L183 PolarHBondContact O-N 3.13Å; S181-L183 PolarHBondContact OG-N 2.94Å; S181-L183 PolarHBondContact OG-O 3.24Å
184F80.9Confident67.8Low9 Ų988.7 Ų88.74%0.03949%0.493CS..  trans-87.3153.5167-73.6-67.3000110.9M84 E95 L97 S157 K159 Y186M84-F184 HydrophobicContact CB-CD2 4.27Å; M84-F184 HydrophobicContact CB-CE2 3.83Å; M84-F184 HydrophobicContact CE-CD2 3.92Å; M84-F184 HydrophobicContact SD-CD2 4.44Å; E95-F184 WeakPolarHBondContact OE2-CD1 3.13Å; L97-F184 HydrophobicContact CD1-CB 3.51Å; L97-F184 HydrophobicContact CD1-CD1 3.83Å; L97-F184 HydrophobicContact CD1-CD2 3.33Å; L97-F184 HydrophobicContact CD1-CE1 4.32Å; L97-F184 HydrophobicContact CD1-CE2 3.87Å; L97-F184 HydrophobicContact CD1-CG 3.28Å; L97-F184 HydrophobicContact CD1-CZ 4.32Å; L97-F184 HydrophobicContact CD2-CD1 4.27Å; L97-F184 HydrophobicContact CD2-CE1 4.47Å; L97-F184 HydrophobicContact CG-CB 3.85Å; L97-F184 HydrophobicContact CG-CD1 3.98Å; L97-F184 HydrophobicContact CG-CD2 4.35Å; L97-F184 HydrophobicContact CG-CG 3.83Å; S157-F184 VanDerWaalsContact OG-CE1 3.3Å; S157-F184 WeakPolarHBondContact OG-CE1 3.47Å; S157-F184 WeakPolarHBondContact OG-CZ 3.35Å; K159-F184 HydrophobicContact CB-CE2 3.83Å; K159-F184 HydrophobicContact CB-CZ 3.89Å; K159-F184 HydrophobicContact CD-CD1 4.14Å; K159-F184 HydrophobicContact CD-CD2 4.18Å; K159-F184 HydrophobicContact CD-CE1 3.74Å; K159-F184 HydrophobicContact CD-CE2 3.81Å; K159-F184 HydrophobicContact CD-CG 4.36Å; K159-F184 HydrophobicContact CD-CZ 3.59Å; K159-F184 VanDerWaalsContact CE-CE1 3.46Å; K159-F184 HydrophobicContact CG-CE1 3.96Å; K159-F184 HydrophobicContact CG-CE2 3.82Å; K159-F184 HydrophobicContact CG-CZ 3.42Å; K159-F184 VanDerWaalsContact CG-CZ 3.42Å; F184-Y186 WeakPolarHBondContact O-CE2 3.47Å
185S80.5Confident68Low70 Ų7087 Ų8749%0.4948%0.483SS..EExtended strand (participates in β ladder)trans-87.3157.4166-61.50000110E95 V96 L97E95-S185 WeakPolarHBondContact O-CB 3.43Å; E95-S185 PolarHBondContact O-N 3.18Å; V96-S185 WeakPolarHBondContact CA-O 3.46Å; L97-S185 PolarHBondContact N-O 3.18Å
186Y79.1Confident68.6Low42 Ų4288.2 Ų88.217%0.16549%0.489CS..EExtended strand (participates in β ladder)trans-118.9145179.5-61.9-90.6000110L97 C100 F184 E188 T195 K215L97-Y186 HydrophobicContact CB-CD1 4.48Å; C100-Y186 HydrophobicContact CB-CE1 4Å; F184-Y186 WeakPolarHBondContact O-CE2 3.47Å; Y186-E188 PolarHBondContact O-N 2.77Å; Y186-T195 HydrophobicContact CD1-CG2 4.36Å; Y186-T195 HydrophobicContact CD2-CG2 4.05Å; Y186-T195 HydrophobicContact CE1-CG2 4.42Å; Y186-T195 HydrophobicContact CE2-CG2 4.15Å; Y186-T195 HydrophobicContact CG-CG2 4.18Å; Y186-K215 HydrophobicContact CE1-CB 3.88Å; Y186-K215 VanDerWaalsContact OH-CB 3.22Å; Y186-K215 WeakPolarHBondContact OH-CB 3.09Å
187R71.1Confident69.2Low73 Ų7393.2 Ų93.228%0.27551%0.513SS..  trans-67122.4179.6178.5168.2-69.7-172.3-0.3111.1D89 V96 L97 K189 A217D89-R187 IonicContact OD1-CZ 2.94Å; D89-R187 IonicContact OD1-NE 3.57Å; D89-R187 PolarHBondContact OD1-NE 2.94Å; D89-R187 IonicContact OD1-NH1 3.63Å; D89-R187 PolarHBondContact OD1-NH1 3.3Å; D89-R187 IonicContact OD1-NH2 3.32Å; D89-R187 PolarHBondContact OD1-NH2 3.2Å; D89-R187 IonicContact OD2-CZ 3.86Å; D89-R187 IonicContact OD2-NE 3.85Å; D89-R187 IonicContact OD2-NH1 3.62Å; D89-R187 PolarHBondContact OD2-NH1 3.49Å; D89-R187 IonicContact OD2-NH2 3.75Å; V96-R187 HydrophobicContact CG1-CB 3.99Å; L97-R187 PolarHBondContact O-N 3.41Å; L97-R187 VanDerWaalsContact O-N 3.08Å; R187-K189 HydrophobicContact CG-CG 4.27Å; R187-A217 WeakPolarHBondContact O-CB 3.17Å
188E66.9Low70.2Confident154 Ų15487.1 Ų87.172%0.7248%0.483SS*.  trans-76.8123.5165.4-52-16916900109.6Y186 S193Y186-E188 PolarHBondContact O-N 2.77Å; E188-S193 WeakPolarHBondContact CA-OG 3.32Å; E188-S193 WeakPolarHBondContact CG-OG 3.13Å
189K62.7Low71Confident69 Ų6987 Ų8730%0.348%0.477SS..  trans-110.9137.9168-72.2-172.5-179.3-178.60108.6E148 R187 G191 F192 Y219E148-K189 IonicContact OE1-NZ 3.46Å; E148-K189 IonicContact OE2-NZ 3.78Å; E148-K189 PolarHBondContact OE2-NZ 3.12Å; R187-K189 HydrophobicContact CG-CG 4.27Å; K189-G191 VanDerWaalsContact C-N 3.27Å; K189-G191 PolarHBondContact O-N 3.27Å; K189-G191 VanDerWaalsContact O-N 3.12Å; K189-F192 CarbonylContact O-C 3.55Å; K189-F192 PolarHBondContact O-N 3.44Å; K189-Y219 HydrophobicContact CD-CD1 4.22Å; K189-Y219 HydrophobicContact CD-CE1 4.31Å
190S58.5Low72Confident121 Ų12184.8 Ų84.885%0.84645%0.451SS*.THydrogen-bonded Turntrans61.923.4164.3-34.60000116.3F192S190-F192 PolarHBondContact O-N 2.67Å
191G52.5Low73.2Confident70 Ų7075.9 Ų75.972%0.72242%0.415SS*.THydrogen-bonded Turntrans72.45.7178.600000115.2K189K189-G191 VanDerWaalsContact C-N 3.27Å; K189-G191 PolarHBondContact O-N 3.27Å; K189-G191 VanDerWaalsContact O-N 3.12Å
192F50.9Low74Confident178 Ų17876.3 Ų76.378%0.78141%0.409SS*.  trans-145.8102.6173.8-121.3-89.7000108.8K189 S190K189-F192 CarbonylContact O-C 3.55Å; K189-F192 PolarHBondContact O-N 3.44Å; S190-F192 PolarHBondContact O-N 2.67Å
193S58.7Low74.8Confident38 Ų3870.8 Ų70.827%0.26638%0.383SS..  trans-122.5109.9166.157.80000109.2E188E188-S193 WeakPolarHBondContact CA-OG 3.32Å; E188-S193 WeakPolarHBondContact CG-OG 3.13Å
194E68.1Low75.1Confident131 Ų13168 Ų6861%0.61237%0.367SS*.EExtended strand (participates in β ladder)trans-87.4126.1162.9-170.6175.3-173.500107.3I196 S218E194-I196 PolarHBondContact O-N 3.5Å; E194-S218 PolarHBondContact O-N 2.94Å
195T74.5Confident75.3Confident65 Ų6568.9 Ų68.940%0.39937%0.373SS..EExtended strand (participates in β ladder)trans-78.3117.9171.1-51.50000108.3Y186 K215 Y216Y186-T195 HydrophobicContact CD1-CG2 4.36Å; Y186-T195 HydrophobicContact CD2-CG2 4.05Å; Y186-T195 HydrophobicContact CE1-CG2 4.42Å; Y186-T195 HydrophobicContact CE2-CG2 4.15Å; Y186-T195 HydrophobicContact CG-CG2 4.18Å; T195-K215 HydrophobicContact CG2-CB 4.32Å; T195-Y216 WeakPolarHBondContact CA-O 3.46Å
196I80.2Confident75.3Confident25 Ų2571.2 Ų71.213%0.12838%0.376CS..EExtended strand (participates in β ladder)trans-94.1129.1176.2-60.9-177.2000108.7E194 L198 K215 Y216 S218 Q223E194-I196 PolarHBondContact O-N 3.5Å; I196-L198 HydrophobicContact CG2-CD2 3.91Å; I196-L198 HydrophobicContact CG2-CG 3.9Å; I196-K215 WeakPolarHBondContact O-CA 3.38Å; I196-Y216 HydrophobicContact CB-CD1 4.47Å; I196-Y216 HydrophobicContact CB-CE1 3.94Å; I196-Y216 HydrophobicContact CB-CE2 4.44Å; I196-Y216 HydrophobicContact CD1-CE2 4.48Å; I196-Y216 HydrophobicContact CG2-CE1 3.97Å; I196-Y216 PolarHBondContact N-O 2.77Å; I196-Y216 PolarHBondContact O-N 2.62Å; I196-S218 WeakPolarHBondContact CD1-OG 3.46Å; I196-Q223 HydrophobicContact CD1-CG 4.24Å
197E84.8Confident75.6Confident114 Ų11471.6 Ų71.653%0.53338%0.379SS..EExtended strand (participates in β ladder)trans-105.7126.6169.4-176.4164.9-16500110.1I214 K215E197-I214 WeakPolarHBondContact CA-O 3.05Å; E197-K215 HydrophobicContact CB-CG 4.16Å; E197-K215 HydrophobicContact CG-CG 4.03Å; E197-K215 WeakPolarHBondContact OE1-CE 3.14Å; E197-K215 IonicContact OE1-NZ 3Å; E197-K215 PolarHBondContact OE1-NZ 3.31Å; E197-K215 WeakPolarHBondContact OE2-CE 3.16Å; E197-K215 IonicContact OE2-NZ 2.58Å; E197-K215 PolarHBondContact OE2-NZ 2.83Å
198L86.3Confident76.4Confident9 Ų968.2 Ų68.25%0.04737%0.367CS..EExtended strand (participates in β ladder)trans-125.1128.7176.2-60176.9000110.1L143 I196 G213 I214 Y216 R226L143-L198 HydrophobicContact CD2-CD1 4.06Å; I196-L198 HydrophobicContact CG2-CD2 3.91Å; I196-L198 HydrophobicContact CG2-CG 3.9Å; L198-G213 CarbonylContact O-C 3.57Å; L198-G213 WeakPolarHBondContact O-CA 3.28Å; L198-I214 HydrophobicContact CB-CG2 3.9Å; L198-I214 HydrophobicContact CD1-CG2 4.48Å; L198-I214 PolarHBondContact N-O 2.75Å; L198-I214 PolarHBondContact O-N 2.83Å; L198-Y216 HydrophobicContact CD1-CE1 3.9Å; L198-Y216 HydrophobicContact CG-CE1 4.28Å; L198-R226 HydrophobicContact CD2-CG 4.12Å
199N85.1Confident77.4Confident94 Ų9461.5 Ų61.550%0.50334%0.337SS..EExtended strand (participates in β ladder)trans-83.5125.6167.5-172.5-26.5000108.8G201 Q211 V212N199-G201 WeakPolarHBondContact OD1-CA 3.27Å; N199-G201 PolarHBondContact OD1-N 3.41Å; N199-Q211 PolarHBondContact ND2-NE2 3.36Å; N199-V212 PolarHBondContact OD1-O 2.61Å
200M87.8Confident78.8Confident14 Ų1458.2 Ų58.27%0.06932%0.323CS..EExtended strand (participates in β ladder)trans-92-18.4179.5-57.7-168.5-165.600113.1Y101 I136 T139 I140 L143 V212 I214Y101-M200 HydrophobicContact CD1-CE 3.83Å; Y101-M200 HydrophobicContact CE1-CE 4.07Å; I136-M200 HydrophobicContact CG2-CB 4.41Å; T139-M200 HydrophobicContact CG2-CB 3.92Å; T139-M200 HydrophobicContact CG2-CG 3.98Å; T139-M200 HydrophobicContact CG2-SD 4.28Å; I140-M200 HydrophobicContact CD1-SD 4.48Å; I140-M200 HydrophobicContact CG1-CE 4.45Å; I140-M200 HydrophobicContact CG1-SD 3.48Å; I140-M200 WeakPolarHBondContact CG1-SD 3.33Å; L143-M200 HydrophobicContact CD1-CE 3.29Å; L143-M200 HydrophobicContact CD1-CG 3.8Å; L143-M200 HydrophobicContact CD1-SD 3.57Å; L143-M200 VanDerWaalsContact CD1-SD 3.57Å; M200-V212 HydrophobicContact CB-CB 4.44Å; M200-V212 HydrophobicContact CB-CG1 4.41Å; M200-V212 WeakPolarHBondContact CB-O 3.28Å; M200-V212 PolarHBondContact N-O 3.38Å; M200-V212 HydrophobicContact SD-CG1 4.11Å; M200-I214 HydrophobicContact CE-CB 3.45Å; M200-I214 VanDerWaalsContact CE-CB 3.45Å; M200-I214 HydrophobicContact CE-CD1 4.46Å; M200-I214 HydrophobicContact CE-CG1 4.48Å; M200-I214 HydrophobicContact CE-CG2 3.53Å
201G87.4Confident80.3Confident23 Ų2355.6 Ų55.624%0.23730%0.297CS..EExtended strand (participates in β ladder)trans138.4-178.518000000113.1N199 V212N199-G201 WeakPolarHBondContact OD1-CA 3.27Å; N199-G201 PolarHBondContact OD1-N 3.41Å; G201-V212 PolarHBondContact O-N 2.81Å
202K87.9Confident82.3Confident74 Ų7452.2 Ų52.232%0.32226%0.263SS..EExtended strand (participates in β ladder)trans-137.4144.4-178.9-168.9-178-174-171.70110.4E204 L210 Q211K202-E204 HydrophobicContact CD-CG 3.84Å; K202-E204 VanDerWaalsContact CD-OE1 3.25Å; K202-E204 WeakPolarHBondContact CD-OE1 3.11Å; K202-E204 WeakPolarHBondContact CE-OE1 3.05Å; K202-E204 HydrophobicContact CG-CG 3.9Å; K202-E204 IonicContact NZ-OE1 3.31Å; K202-E204 PolarHBondContact NZ-OE1 3.03Å; K202-L210 CarbonylContact C-O 3.46Å; K202-L210 VanDerWaalsContact CA-O 3.29Å; K202-L210 WeakPolarHBondContact CA-O 3.36Å; K202-L210 WeakPolarHBondContact CG-O 3.5Å; K202-Q211 HydrophobicContact CG-CB 4.32Å
203V88.5Confident84.2Confident3 Ų344.3 Ų44.32%0.01823%0.231CC..EExtended strand (participates in β ladder)trans-118.2140.5166.2-62.10000109.1Y17 F21 T129 A133 I136 L210Y17-V203 HydrophobicContact CE1-CB 4.16Å; Y17-V203 HydrophobicContact CE1-CG2 3.96Å; F21-V203 HydrophobicContact CD1-CG2 4.11Å; F21-V203 HydrophobicContact CE1-CG1 4.46Å; F21-V203 HydrophobicContact CE1-CG2 4.25Å; F21-V203 HydrophobicContact CZ-CG1 4.37Å; T129-V203 HydrophobicContact CG2-CB 4.32Å; A133-V203 HydrophobicContact CB-CG1 3.88Å; I136-V203 HydrophobicContact CD1-CG1 3.79Å; V203-L210 HydrophobicContact CG2-CB 3.85Å; V203-L210 HydrophobicContact CG2-CD2 4.27Å; V203-L210 HydrophobicContact CG2-CG 4.32Å; V203-L210 PolarHBondContact N-O 3.32Å; V203-L210 PolarHBondContact O-N 3.08Å
204E85.5Confident85.8Confident52 Ų5242.5 Ų42.524%0.24322%0.219CC..EExtended strand (participates in β ladder)trans-138.9125.8-171.5-57.1-174.9135.400112.2T129 K202 H208 A209T129-E204 HydrophobicContact CG2-CB 4.4Å; T129-E204 WeakPolarHBondContact CG2-O 3.25Å; K202-E204 HydrophobicContact CD-CG 3.84Å; K202-E204 VanDerWaalsContact CD-OE1 3.25Å; K202-E204 WeakPolarHBondContact CD-OE1 3.11Å; K202-E204 WeakPolarHBondContact CE-OE1 3.05Å; K202-E204 HydrophobicContact CG-CG 3.9Å; K202-E204 IonicContact NZ-OE1 3.31Å; K202-E204 PolarHBondContact NZ-OE1 3.03Å; E204-H208 CarbonylContact C-O 3.53Å; E204-H208 WeakPolarHBondContact CA-O 3.32Å; E204-A209 HydrophobicContact CG-CB 4.13Å
205T84.5Confident86.8Confident27 Ų2738.6 Ų38.617%0.16620%0.2CC..  trans-101.9-179.3164.771.20000109A8 S14 Y17 F207 H208A8-T205 HydrophobicContact CB-CG2 4.39Å; S14-T205 WeakPolarHBondContact OG-CB 3.46Å; S14-T205 WeakPolarHBondContact OG-CG2 3.3Å; S14-T205 PolarHBondContact OG-OG1 2.87Å; Y17-T205 HydrophobicContact CD1-CG2 3.9Å; Y17-T205 HydrophobicContact CE1-CG2 4.38Å; T205-F207 PolarHBondContact O-N 2.63Å; T205-F207 PolarHBondContact OG1-N 2.78Å; T205-F207 VanDerWaalsContact OG1-N 3.1Å; T205-H208 PolarHBondContact N-O 3.05Å; T205-H208 PolarHBondContact OG1-N 2.96Å; T205-H208 PolarHBondContact OG1-O 3.09Å
206Q79.4Confident87.3Confident119 Ų11935.6 Ų35.656%0.55618%0.181SC*.SBendtrans-63.6-17.4171.8-62.7-176.25.400113.3
207F85.4Confident87.1Confident50 Ų5035 Ų3522%0.21918%0.18CC..SBendtrans-114.2-26.7-171.2-57.3-81.8000113.4D10 Q11 A108 T205D10-F207 WeakPolarHBondContact O-CE2 3.41Å; Q11-F207 HydrophobicContact CB-CD1 3.79Å; Q11-F207 HydrophobicContact CB-CE1 4.07Å; Q11-F207 HydrophobicContact CB-CG 4.09Å; Q11-F207 HydrophobicContact CG-CB 4.34Å; Q11-F207 HydrophobicContact CG-CD1 4.14Å; Q11-F207 HydrophobicContact CG-CG 4.35Å; A108-F207 WeakPolarHBondContact CB-O 3.49Å; A108-F207 PolarHBondContact N-O 2.82Å; T205-F207 PolarHBondContact O-N 2.63Å; T205-F207 PolarHBondContact OG1-N 2.78Å; T205-F207 VanDerWaalsContact OG1-N 3.1Å
208H88.6Confident86.3Confident3 Ų329.9 Ų29.91%0.01416%0.157CC..EExtended strand (participates in β ladder)trans-143.8148.7-171.7-58.184.4000111.9S14 I15 V18 H106 Y107 E204 T205S14-H208 WeakPolarHBondContact CB-ND1 3.36Å; S14-H208 PolarHBondContact OG-ND1 2.96Å; I15-H208 WeakPolarHBondContact CG1-CE1 3.41Å; I15-H208 WeakPolarHBondContact CG1-NE2 3.44Å; V18-H208 HydrophobicContact CG2-CB 3.73Å; H106-H208 WeakPolarHBondContact O-CA 3.31Å; Y107-H208 AromaticContact CD1-CD2 3.28Å; Y107-H208 WeakPolarHBondContact CD1-CD2 3.47Å; Y107-H208 AromaticContact CD1-NE2 3.44Å; Y107-H208 WeakPolarHBondContact CD1-NE2 3.41Å; Y107-H208 AromaticContact CE1-CD2 3.57Å; Y107-H208 AromaticContact CE1-NE2 3.74Å; E204-H208 CarbonylContact C-O 3.53Å; E204-H208 WeakPolarHBondContact CA-O 3.32Å; T205-H208 PolarHBondContact N-O 3.05Å; T205-H208 PolarHBondContact OG1-N 2.96Å; T205-H208 PolarHBondContact OG1-O 3.09Å
209A88.8Confident85.2Confident12 Ų1231.3 Ų31.310%0.09916%0.162CC..EExtended strand (participates in β ladder)trans-125.6131171.900000108.9I105 H106 E204I105-A209 CarbonylContact C-O 3.57Å; I105-A209 WeakPolarHBondContact CA-O 3.29Å; H106-A209 HydrophobicContact CB-CB 3.92Å; H106-A209 PolarHBondContact N-O 3Å; H106-A209 PolarHBondContact O-N 3.18Å; E204-A209 HydrophobicContact CG-CB 4.13Å
210L91.8Very high83.8Confident1 Ų133.5 Ų33.51%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-123.9114.5177.8170.862.5000109.9V18 F21 I22 F103 T104 I105 K202 V203 V212V18-L210 HydrophobicContact CG1-CD2 4.26Å; F21-L210 HydrophobicContact CD1-CD2 3.54Å; F21-L210 HydrophobicContact CE1-CD2 4.26Å; F21-L210 HydrophobicContact CG-CD2 4.5Å; I22-L210 HydrophobicContact CD1-CD1 4.44Å; I22-L210 HydrophobicContact CD1-CD2 4.21Å; I22-L210 HydrophobicContact CG1-CD1 4.38Å; I22-L210 HydrophobicContact CG1-CD2 3.66Å; F103-L210 HydrophobicContact CB-CD1 3.98Å; F103-L210 HydrophobicContact CD1-CD1 4.39Å; T104-L210 WeakPolarHBondContact O-CA 3.31Å; I105-L210 HydrophobicContact CG1-CD1 3.95Å; K202-L210 CarbonylContact C-O 3.46Å; K202-L210 VanDerWaalsContact CA-O 3.29Å; K202-L210 WeakPolarHBondContact CA-O 3.36Å; K202-L210 WeakPolarHBondContact CG-O 3.5Å; V203-L210 HydrophobicContact CG2-CB 3.85Å; V203-L210 HydrophobicContact CG2-CD2 4.27Å; V203-L210 HydrophobicContact CG2-CG 4.32Å; V203-L210 PolarHBondContact N-O 3.32Å; V203-L210 PolarHBondContact O-N 3.08Å; L210-V212 HydrophobicContact CG-CG2 4.44Å
211Q90.8Very high82.2Confident65 Ų6536.9 Ų36.930%0.30422%0.217SC..EExtended strand (participates in β ladder)trans-100.4136.5174.7179.8178.3-23.200110.2F103 T104 N199 K202F103-Q211 CarbonylContact C-O 3.52Å; F103-Q211 WeakPolarHBondContact CA-O 3.25Å; T104-Q211 PolarHBondContact N-O 3.16Å; T104-Q211 PolarHBondContact O-N 3.12Å; N199-Q211 PolarHBondContact ND2-NE2 3.36Å; K202-Q211 HydrophobicContact CG-CB 4.32Å
212V93.4Very high80.6Confident0 Ų036.7 Ų36.70%021%0.211CC..EExtended strand (participates in β ladder)trans-117.6131.5179.4-174.10000109.8F21 I102 F103 I136 N199 M200 G201 L210F21-V212 HydrophobicContact CE1-CG2 3.98Å; I102-V212 WeakPolarHBondContact O-CA 3.28Å; F103-V212 HydrophobicContact CD1-CG1 4.35Å; F103-V212 HydrophobicContact CD1-CG2 3.93Å; F103-V212 HydrophobicContact CE1-CG1 4.05Å; F103-V212 HydrophobicContact CE1-CG2 4.13Å; I136-V212 HydrophobicContact CG2-CB 4.08Å; I136-V212 HydrophobicContact CG2-CG1 4.31Å; I136-V212 HydrophobicContact CG2-CG2 4.14Å; N199-V212 PolarHBondContact OD1-O 2.61Å; M200-V212 HydrophobicContact CB-CB 4.44Å; M200-V212 HydrophobicContact CB-CG1 4.41Å; M200-V212 WeakPolarHBondContact CB-O 3.28Å; M200-V212 PolarHBondContact N-O 3.38Å; M200-V212 HydrophobicContact SD-CG1 4.11Å; G201-V212 PolarHBondContact O-N 2.81Å; L210-V212 HydrophobicContact CG-CG2 4.44Å
213G90.6Very high79.1Confident11 Ų1139.7 Ų39.711%0.11323%0.226CC..EExtended strand (participates in β ladder)trans-143173.317600000112.8Y101 I102 L198Y101-G213 CarbonylContact C-O 3.55Å; Y101-G213 WeakPolarHBondContact CA-O 3.09Å; I102-G213 PolarHBondContact N-O 3.03Å; I102-G213 PolarHBondContact O-N 2.86Å; L198-G213 CarbonylContact O-C 3.57Å; L198-G213 WeakPolarHBondContact O-CA 3.28Å
214I91.8Very high77.7Confident1 Ų140.2 Ų40.21%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-133.8140.5171.6-172.7175.7000110.4D99 C100 Y101 L143 L147 E197 L198 M200 Y216D99-I214 HydrophobicContact CB-CD1 4.2Å; C100-I214 CarbonylContact O-C 3.56Å; C100-I214 VanDerWaalsContact O-CA 3.3Å; C100-I214 WeakPolarHBondContact O-CA 3.21Å; Y101-I214 HydrophobicContact CD1-CB 4.31Å; Y101-I214 HydrophobicContact CD1-CD1 4.09Å; Y101-I214 HydrophobicContact CD1-CG1 4.21Å; Y101-I214 HydrophobicContact CE1-CD1 3.63Å; Y101-I214 HydrophobicContact CE1-CG1 4.26Å; L143-I214 HydrophobicContact CD1-CG2 4.24Å; L147-I214 HydrophobicContact CD1-CD1 3.81Å; E197-I214 WeakPolarHBondContact CA-O 3.05Å; L198-I214 HydrophobicContact CB-CG2 3.9Å; L198-I214 HydrophobicContact CD1-CG2 4.48Å; L198-I214 PolarHBondContact N-O 2.75Å; L198-I214 PolarHBondContact O-N 2.83Å; M200-I214 HydrophobicContact CE-CB 3.45Å; M200-I214 VanDerWaalsContact CE-CB 3.45Å; M200-I214 HydrophobicContact CE-CD1 4.46Å; M200-I214 HydrophobicContact CE-CG1 4.48Å; M200-I214 HydrophobicContact CE-CG2 3.53Å; I214-Y216 HydrophobicContact CD1-CD1 4.14Å; I214-Y216 HydrophobicContact CG1-CD1 4.12Å; I214-Y216 HydrophobicContact CG2-CD1 4.23Å; I214-Y216 HydrophobicContact CG2-CE1 4.41Å
215K89.1Confident76.2Confident49 Ų4941.6 Ų41.621%0.21324%0.237CC..EExtended strand (participates in β ladder)trans-115.4128.8164.6-66.9-173.1-176.3-157.50108.8D99 C100 I102 Y186 T195 I196 E197D99-K215 CarbonylContact C-O 3.57Å; D99-K215 WeakPolarHBondContact CA-O 3.14Å; C100-K215 HydrophobicContact CB-CB 4.5Å; C100-K215 PolarHBondContact N-O 3.25Å; C100-K215 PolarHBondContact O-N 3.24Å; I102-K215 HydrophobicContact CD1-CB 4.49Å; I102-K215 HydrophobicContact CD1-CD 3.63Å; I102-K215 HydrophobicContact CD1-CG 3.76Å; Y186-K215 HydrophobicContact CE1-CB 3.88Å; Y186-K215 VanDerWaalsContact OH-CB 3.22Å; Y186-K215 WeakPolarHBondContact OH-CB 3.09Å; T195-K215 HydrophobicContact CG2-CB 4.32Å; I196-K215 WeakPolarHBondContact O-CA 3.38Å; E197-K215 HydrophobicContact CB-CG 4.16Å; E197-K215 HydrophobicContact CG-CG 4.03Å; E197-K215 WeakPolarHBondContact OE1-CE 3.14Å; E197-K215 IonicContact OE1-NZ 3Å; E197-K215 PolarHBondContact OE1-NZ 3.31Å; E197-K215 WeakPolarHBondContact OE2-CE 3.16Å; E197-K215 IonicContact OE2-NZ 2.58Å; E197-K215 PolarHBondContact OE2-NZ 2.83Å
216Y85.7Confident74.9Confident2 Ų248.9 Ų48.91%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-147.9153.6178.465.8-80.3000111.1L147 T195 I196 L198 I214 S218 I224L147-Y216 HydrophobicContact CD2-CD2 3.93Å; L147-Y216 HydrophobicContact CD2-CE2 4.26Å; L147-Y216 HydrophobicContact CD2-CG 4.09Å; T195-Y216 WeakPolarHBondContact CA-O 3.46Å; I196-Y216 HydrophobicContact CB-CD1 4.47Å; I196-Y216 HydrophobicContact CB-CE1 3.94Å; I196-Y216 HydrophobicContact CB-CE2 4.44Å; I196-Y216 HydrophobicContact CD1-CE2 4.48Å; I196-Y216 HydrophobicContact CG2-CE1 3.97Å; I196-Y216 PolarHBondContact N-O 2.77Å; I196-Y216 PolarHBondContact O-N 2.62Å; L198-Y216 HydrophobicContact CD1-CE1 3.9Å; L198-Y216 HydrophobicContact CG-CE1 4.28Å; I214-Y216 HydrophobicContact CD1-CD1 4.14Å; I214-Y216 HydrophobicContact CG1-CD1 4.12Å; I214-Y216 HydrophobicContact CG2-CD1 4.23Å; I214-Y216 HydrophobicContact CG2-CE1 4.41Å; Y216-S218 PolarHBondContact O-N 3.37Å; Y216-I224 HydrophobicContact CE1-CD1 4.44Å
217A75.7Confident73.5Confident13 Ų1352 Ų5211%0.10727%0.274CS..EExtended strand (participates in β ladder)trans-74.7123.1173.300000109.8T98 R187T98-A217 PolarHBondContact O-N 3.16Å; R187-A217 WeakPolarHBondContact O-CB 3.17Å
218S67.7Low71.9Confident6 Ų654.6 Ų54.64%0.04229%0.286CS..EExtended strand (participates in β ladder)trans-101.6149.6172.7-165.10000111.7E194 I196 Y216 Q223E194-S218 PolarHBondContact O-N 2.94Å; I196-S218 WeakPolarHBondContact CD1-OG 3.46Å; Y216-S218 PolarHBondContact O-N 3.37Å; S218-Q223 VanDerWaalsContact OG-CG 3.27Å; S218-Q223 WeakPolarHBondContact OG-CG 3.12Å
219Y64.8Low70.3Confident39 Ų3955.7 Ų55.715%0.15329%0.292CS..  trans-144165.4174.649.5-89.9000108.5E148 K189 G221 N222E148-Y219 WeakPolarHBondContact CB-OH 3.33Å; E148-Y219 WeakPolarHBondContact CG-OH 3.09Å; E148-Y219 VanDerWaalsContact OE1-CZ 3.3Å; E148-Y219 PolarHBondContact OE1-OH 3.32Å; E148-Y219 PolarHBondContact OE2-OH 2.83Å; K189-Y219 HydrophobicContact CD-CD1 4.22Å; K189-Y219 HydrophobicContact CD-CE1 4.31Å; Y219-G221 PolarHBondContact O-N 3.27Å; Y219-N222 HydrophobicContact CD2-CB 4.18Å; Y219-N222 HydrophobicContact CE1-CB 4.08Å; Y219-N222 HydrophobicContact CE2-CB 3.47Å; Y219-N222 VanDerWaalsContact CE2-CB 3.47Å; Y219-N222 PolarHBondContact O-N 3.08Å; Y219-N222 WeakPolarHBondContact OH-CB 3.48Å; Y219-N222 PolarHBondContact OH-ND2 2.97Å
220T55Low68.4Low140 Ų14057.4 Ų57.486%0.85930%0.302SS*.THydrogen-bonded Turntrans-52.6111.6-179.9520000111
221G54.6Low65.8Low85 Ų8562.5 Ų62.588%0.87633%0.334SS*.THydrogen-bonded Turntrans110.5-11.1179.500000116.2Y219Y219-G221 PolarHBondContact O-N 3.27Å
222N54.1Low63.2Low19 Ų1963.9 Ų63.910%0.10235%0.35CS..  trans-120.826.8177.2-172.737000112.8H146 Y219 I224H146-N222 PolarHBondContact O-OD1 3.36Å; Y219-N222 HydrophobicContact CD2-CB 4.18Å; Y219-N222 HydrophobicContact CE1-CB 4.08Å; Y219-N222 HydrophobicContact CE2-CB 3.47Å; Y219-N222 VanDerWaalsContact CE2-CB 3.47Å; Y219-N222 PolarHBondContact O-N 3.08Å; Y219-N222 WeakPolarHBondContact OH-CB 3.48Å; Y219-N222 PolarHBondContact OH-ND2 2.97Å; N222-I224 PolarHBondContact O-N 2.99Å
223Q55.2Low60.3Low136 Ų13668.9 Ų68.964%0.63639%0.386SS*.  trans-78.7116.4171.5-74.8-162.448.800109.3I196 S218 N225I196-Q223 HydrophobicContact CD1-CG 4.24Å; S218-Q223 VanDerWaalsContact OG-CG 3.27Å; S218-Q223 WeakPolarHBondContact OG-CG 3.12Å; Q223-N225 PolarHBondContact O-N 2.92Å
224I59.4Low57.4Low15 Ų1574.5 Ų74.58%0.07741%0.407CS..  trans-72.8116.7173.1-56.2177.5000107.5L143 H146 L147 Y216 N222 R226 L229L143-I224 HydrophobicContact CD2-CD1 3.39Å; L143-I224 HydrophobicContact CD2-CG2 4.01Å; H146-I224 HydrophobicContact CB-CD1 4.32Å; H146-I224 HydrophobicContact CB-CG1 4.23Å; L147-I224 HydrophobicContact CD2-CD1 4.22Å; Y216-I224 HydrophobicContact CE1-CD1 4.44Å; N222-I224 PolarHBondContact O-N 2.99Å; I224-R226 PolarHBondContact O-N 3.46Å; I224-R226 VanDerWaalsContact O-N 3.14Å; I224-L229 HydrophobicContact CG2-CD1 3.67Å
225N54.8Low54.3Low81 Ų8182.5 Ų82.543%0.43344%0.442SS..  trans-65.9116177.4-171-13.9000108.7Q223 K227 E228Q223-N225 PolarHBondContact O-N 2.92Å; N225-K227 PolarHBondContact O-N 3.16Å; N225-K227 PolarHBondContact OD1-N 3.39Å; N225-E228 HydrophobicContact CB-CG 4.01Å; N225-E228 WeakPolarHBondContact O-CB 3.47Å; N225-E228 PolarHBondContact O-N 3.06Å
226R56.1Low51.5Low180 Ų18087.4 Ų87.468%0.67947%0.465SS*.G310 helixtrans-53.3-25.6179.7-75.4-175.2177.1-174.2-0.7112.9L198 I224 E228 L229L198-R226 HydrophobicContact CD2-CG 4.12Å; I224-R226 PolarHBondContact O-N 3.46Å; I224-R226 VanDerWaalsContact O-N 3.14Å; R226-E228 VanDerWaalsContact C-N 3.31Å; R226-E228 PolarHBondContact O-N 3.27Å; R226-L229 PolarHBondContact O-N 3.17Å
227K50Low48.6Very low184 Ų18494 Ų9480%0.850%0.496SS*.G310 helixtrans-72-19.3176.4-64.2-177.1178.7179.30114.2N225N225-K227 PolarHBondContact O-N 3.16Å; N225-K227 PolarHBondContact OD1-N 3.39Å
228E52.6Low46.3Very low104 Ų104101.4 Ų101.449%0.48653%0.528SS..G310 helixtrans-84.4-16177.3-68.3172.7-166.200112.5N225 R226N225-E228 HydrophobicContact CB-CG 4.01Å; N225-E228 WeakPolarHBondContact O-CB 3.47Å; N225-E228 PolarHBondContact O-N 3.06Å; R226-E228 VanDerWaalsContact C-N 3.31Å; R226-E228 PolarHBondContact O-N 3.27Å
229L54.1Low44.6Very low26 Ų26108.2 Ų108.214%0.13656%0.559CS.*SBendtrans-70.6142.3170.5-103.374.3000110.1T139 L143 I224 R226 T231T139-L229 HydrophobicContact CG2-CD2 3.56Å; T139-L229 HydrophobicContact CG2-CG 4.03Å; L143-L229 HydrophobicContact CD1-CD2 4.44Å; L143-L229 HydrophobicContact CD2-CD1 3.71Å; L143-L229 HydrophobicContact CD2-CD2 4.42Å; L143-L229 HydrophobicContact CG-CD1 4.27Å; I224-L229 HydrophobicContact CG2-CD1 3.67Å; R226-L229 PolarHBondContact O-N 3.17Å; L229-T231 PolarHBondContact O-N 3.26Å
230P48.3Very low42.9Very low48 Ų48111.3 Ų111.331%0.31258%0.584SS.*  trans-57.3108.9178.8-15.326.3000111K142K142-P230 HydrophobicContact CD-CG 4.04Å
231T38Very low41.7Very low108 Ų108110.8 Ų110.866%0.66358%0.58SS**  trans-92.6102.2162.254.80000107.6L229 S233L229-T231 PolarHBondContact O-N 3.26Å; T231-S233 PolarHBondContact O-N 3.13Å
232S36.2Very low40.6Very low94 Ų94113.2 Ų113.266%0.65757%0.574SS**SBendtrans31.973.1158.462.90000116.6
233S32Very low39.6Very low106 Ų106119.2 Ų119.274%0.74160%0.601SS**  trans-161.2109158.1-94.60000110.9T231 K235T231-S233 PolarHBondContact O-N 3.13Å; S233-K235 PolarHBondContact O-N 3.21Å; S233-K235 VanDerWaalsContact O-N 3.16Å
234F30.4Very low38.6Very low129 Ų129117.2 Ų117.257%0.56660%0.595SS**  trans-67.6104.4167.8-121.6-99.1000107.9
235K25.7Very low37.4Very low168 Ų168124.6 Ų124.673%0.7363%0.629SS**  trans-107.2122.2153.6-74.5-173.7178-179.40106.6S233 E237S233-K235 PolarHBondContact O-N 3.21Å; S233-K235 VanDerWaalsContact O-N 3.16Å; K235-E237 HydrophobicContact CB-CG 4.49Å; K235-E237 PolarHBondContact O-N 3.02Å
236H30.2Very low36.7Very low152 Ų152125.8 Ų125.870%0.70463%0.631SS**  trans-65.572.8171.8-120.3-89.1000108.2H238H236-H238 PolarHBondContact O-N 3.47Å; H236-H238 VanDerWaalsContact O-N 3.16Å
237E26.2Very low35.8Very low142 Ų142120.3 Ų120.366%0.66462%0.62SS**  trans-80.198.3168.4-75.8-179-177.400106.8K235 H239K235-E237 HydrophobicContact CB-CG 4.49Å; K235-E237 PolarHBondContact O-N 3.02Å; E237-H239 PolarHBondContact O-N 3Å
238H27.1Very low34.8Very low168 Ų168116.4 Ų116.478%0.77861%0.614SS**  trans-60.574.5155.1-80.2-81.1000107.8H236 P240H236-H238 PolarHBondContact O-N 3.47Å; H236-H238 VanDerWaalsContact O-N 3.16Å; H238-P240 WeakPolarHBondContact O-CD 3.48Å
239H32.6Very low34Very low149 Ų149115.8 Ų115.869%0.6962%0.617SS**  trans-72.8119.5165.2-119.7-66.9000106.2E237 T241E237-H239 PolarHBondContact O-N 3Å; H239-T241 PolarHBondContact O-N 2.81Å
240P28.3Very low32.9Very low103 Ų103120.2 Ų120.267%0.66964%0.64SS**  trans-55.1134.6174.123.7-31.7000106.9H238 N242H238-P240 WeakPolarHBondContact O-CD 3.48Å; P240-N242 PolarHBondContact O-N 2.67Å
241T30.4Very low31.9Very low129 Ų129118.9 Ų118.979%0.79163%0.629SS**  trans-53.290.4170.347.20000107.3H239 E243H239-T241 PolarHBondContact O-N 2.81Å; T241-E243 PolarHBondContact O-N 2.75Å
242N30.4Very low31.7Very low137 Ų137117 Ų11773%0.73362%0.615SS**  trans-63.996.3155.8-124.111.6000102.1P240 D244P240-N242 PolarHBondContact O-N 2.67Å; N242-D244 PolarHBondContact O-N 3.16Å
243E33.3Very low31.4Very low144 Ų144120.6 Ų120.667%0.67361%0.614SS**  trans-55.680.2151.1-66.1-167.316100104.6T241 H245T241-E243 PolarHBondContact O-N 2.75Å; E243-H245 PolarHBondContact O-N 2.86Å
244D33.9Very low31.6Very low95 Ų95117.4 Ų117.451%0.50859%0.589SS.*  trans-55.4105.1160.5-83.7-24.5000102.4N242 H246N242-D244 PolarHBondContact O-N 3.16Å; D244-H246 WeakPolarHBondContact CB-CE1 3.42Å; D244-H246 WeakPolarHBondContact CB-NE2 3.38Å; D244-H246 PolarHBondContact O-CD2 3.36Å; D244-H246 PolarHBondContact O-N 3.32Å; D244-H246 IonicContact OD2-CE1 2.82Å; D244-H246 IonicContact OD2-NE2 3.13Å
245H35.6Very low32.3Very low170 Ų170111.6 Ų111.679%0.78756%0.564SS**  trans-61.772.6170.4-68.8-58.9000106.3E243 S247E243-H245 PolarHBondContact O-N 2.86Å; H245-S247 PolarHBondContact O-N 2.98Å
246H40.2Very low33Very low105 Ų105107.9 Ų107.949%0.48655%0.548SS..  trans-68.9100.6-177.4-77-47.9000105.8D244 P248D244-H246 WeakPolarHBondContact CB-CE1 3.42Å; D244-H246 WeakPolarHBondContact CB-NE2 3.38Å; D244-H246 PolarHBondContact O-CD2 3.36Å; D244-H246 PolarHBondContact O-N 3.32Å; D244-H246 IonicContact OD2-CE1 2.82Å; D244-H246 IonicContact OD2-NE2 3.13Å; H246-P248 VanDerWaalsContact O-CD 3.25Å; H246-P248 WeakPolarHBondContact O-CD 3.21Å
247S35.4Very low33.3Very low65 Ų65105 Ų10546%0.45553%0.534SS..  trans-45.8113.7-178-178.40000110.4H245 V249 L250H245-S247 PolarHBondContact O-N 2.98Å; S247-V249 PolarHBondContact O-N 3.4Å; S247-L250 PolarHBondContact O-N 2.92Å
248P29.8Very low33.8Very low103 Ų10398.5 Ų98.567%0.66950%0.503SS*.Hα-helixtrans-56.2-21.8-179.9-25.533.3000113H246 L250 Y251 D252H246-P248 VanDerWaalsContact O-CD 3.25Å; H246-P248 WeakPolarHBondContact O-CD 3.21Å; P248-L250 VanDerWaalsContact C-N 3.28Å; P248-L250 PolarHBondContact O-N 2.84Å; P248-Y251 PolarHBondContact O-N 3.15Å; P248-D252 PolarHBondContact O-N 2.76Å
249V34.9Very low34.8Very low91 Ų9192.2 Ų92.255%0.55247%0.474SS*.Hα-helixtrans-60.4-33.5-174.5-174.30000112.7S247S247-V249 PolarHBondContact O-N 3.4Å
250L31.2Very low35.4Very low118 Ų11885.3 Ų85.362%0.61844%0.443SS*.Hα-helixtrans-76.4-35.9178.7-94.2161.1000112.4S247 P248 R253S247-L250 PolarHBondContact O-N 2.92Å; P248-L250 VanDerWaalsContact C-N 3.28Å; P248-L250 PolarHBondContact O-N 2.84Å; L250-R253 PolarHBondContact O-N 2.64Å
251Y28.9Very low36.3Very low21 Ų2182.1 Ų82.18%0.08242%0.42CS..Hα-helixtrans-66.3-39.3-177.6-87.7-82.6000112.6K34 V38 P248 R253 L254 S255K34-Y251 HydrophobicContact CB-CD1 4.3Å; K34-Y251 HydrophobicContact CB-CE1 3.71Å; K34-Y251 HydrophobicContact CD-CE1 4.05Å; K34-Y251 HydrophobicContact CG-CE1 3.66Å; V38-Y251 HydrophobicContact CG2-CD1 3.9Å; V38-Y251 HydrophobicContact CG2-CD2 3.86Å; V38-Y251 HydrophobicContact CG2-CE1 3.94Å; V38-Y251 HydrophobicContact CG2-CE2 3.89Å; V38-Y251 HydrophobicContact CG2-CG 3.85Å; P248-Y251 PolarHBondContact O-N 3.15Å; Y251-R253 PolarHBondContact O-N 3.2Å; Y251-R253 VanDerWaalsContact O-N 3.11Å; Y251-L254 PolarHBondContact O-N 2.7Å; Y251-S255 WeakPolarHBondContact O-CB 3.38Å; Y251-S255 PolarHBondContact O-N 2.9Å; Y251-S255 VanDerWaalsContact O-N 3.13Å
252D34Very low37.1Very low69 Ų6977.2 Ų77.237%0.36939%0.392SS..Hα-helixtrans-65.4-18.5-176.7-16147.4000113.1P248 K256P248-D252 PolarHBondContact O-N 2.76Å; D252-K256 WeakPolarHBondContact O-CG 3.2Å; D252-K256 WeakPolarHBondContact OD1-CE 3.26Å; D252-K256 IonicContact OD1-NZ 3.14Å; D252-K256 WeakPolarHBondContact OD2-CE 3.1Å; D252-K256 IonicContact OD2-NZ 3.9Å; D252-K256 PolarHBondContact OD2-NZ 3.04Å
253R29.9Very low37.7Very low169 Ų16971.4 Ų71.464%0.63836%0.36SS*.Hα-helixtrans-89.8-40-179.8-63.8-167.7-165.7-165.54.6114.4L250 Y251L250-R253 PolarHBondContact O-N 2.64Å; Y251-R253 PolarHBondContact O-N 3.2Å; Y251-R253 VanDerWaalsContact O-N 3.11Å
254L35.9Very low38Very low38 Ų3867.1 Ų67.120%0.19934%0.34CS..Hα-helixtrans-73.1-39.3176.4-83.2152.4000111.1P151 Y251 K256P151-L254 WeakPolarHBondContact O-CD2 3.48Å; Y251-L254 PolarHBondContact O-N 2.7Å; L254-K256 PolarHBondContact O-N 3.47Å
255S44.7Very low38.8Very low8 Ų862.6 Ų62.66%0.05632%0.316CS..Hα-helixtrans-63.6-37.1-1741550000114.6P37 Y251 K257 C258P37-S255 WeakPolarHBondContact CB-OG 3.36Å; P37-S255 WeakPolarHBondContact CD-OG 3.48Å; P37-S255 WeakPolarHBondContact CG-OG 3.41Å; Y251-S255 WeakPolarHBondContact O-CB 3.38Å; Y251-S255 PolarHBondContact O-N 2.9Å; Y251-S255 VanDerWaalsContact O-N 3.13Å; S255-K257 PolarHBondContact O-N 3.11Å; S255-C258 PolarHBondContact O-N 3.26Å
256K39.2Very low39.8Very low89 Ų8956.6 Ų56.639%0.38729%0.291SS..THydrogen-bonded Turntrans-65-7-170.1-79.7178-174163.20113.9D252 L254D252-K256 WeakPolarHBondContact O-CG 3.2Å; D252-K256 WeakPolarHBondContact OD1-CE 3.26Å; D252-K256 IonicContact OD1-NZ 3.14Å; D252-K256 WeakPolarHBondContact OD2-CE 3.1Å; D252-K256 IonicContact OD2-NZ 3.9Å; D252-K256 PolarHBondContact OD2-NZ 3.04Å; L254-K256 PolarHBondContact O-N 3.47Å
257K38.5Very low41.2Very low93 Ų9352.1 Ų52.140%0.40427%0.271SS..THydrogen-bonded Turntrans-136.17.2-175.8-70-170.9172.9-172.10115.4E153 S255 Q259E153-K257 HydrophobicContact CG-CB 4.22Å; E153-K257 HydrophobicContact CG-CD 3.71Å; E153-K257 WeakPolarHBondContact OE1-CD 3.45Å; E153-K257 IonicContact OE1-NZ 2.77Å; E153-K257 PolarHBondContact OE1-NZ 3.4Å; S255-K257 PolarHBondContact O-N 3.11Å; K257-Q259 PolarHBondContact O-N 3.13Å
258C35.4Very low43.3Very low4 Ų455 Ų553%0.02728%0.276CS..  trans-66.3110.9173.5-168.30000110.3L35 N60 A154 S255L35-C258 WeakPolarHBondContact O-CB 3.43Å; N60-C258 PolarHBondContact ND2-O 3.41Å; A154-C258 WeakPolarHBondContact O-CA 3.41Å; S255-C258 PolarHBondContact O-N 3.26Å
259Q49Very low46.1Very low36 Ų3650.5 Ų50.517%0.16825%0.247CC..EExtended strand (participates in β ladder)trans-103125.4-176.5-71.2166.737.900109.2A154 G155 I156 K257 L261A154-Q259 PolarHBondContact O-N 3.42Å; G155-Q259 CarbonylContact C-O 3Å; G155-Q259 WeakPolarHBondContact CA-O 3.46Å; I156-Q259 PolarHBondContact N-O 2.91Å; K257-Q259 PolarHBondContact O-N 3.13Å; Q259-L261 HydrophobicContact CB-CD2 3.83Å; Q259-L261 HydrophobicContact CB-CG 4.49Å; Q259-L261 PolarHBondContact O-N 3.18Å
260L45.4Very low48.7Very low5 Ų546.9 Ų46.93%0.02622%0.224CC..EExtended strand (participates in β ladder)trans-73.5120.2162.2-176.268.6000107.9R63 L64 C67 I156 L158 Y263R63-L260 HydrophobicContact CB-CD2 4.05Å; R63-L260 PolarHBondContact NH2-O 2.95Å; L64-L260 HydrophobicContact CB-CD2 4.45Å; L64-L260 HydrophobicContact CD1-CD1 4.2Å; C67-L260 HydrophobicContact CB-CD2 4.11Å; I156-L260 HydrophobicContact CB-CD1 3.69Å; I156-L260 HydrophobicContact CG2-CD1 3.49Å; I156-L260 VanDerWaalsContact CG2-CD1 3.49Å; I156-L260 CarbonylContact O-C 3.53Å; I156-L260 WeakPolarHBondContact O-CA 3.48Å; L158-L260 HydrophobicContact CD1-CD1 3.99Å; L158-L260 HydrophobicContact CG-CD1 4.4Å; L260-Y263 HydrophobicContact CD2-CD2 4.34Å; L260-Y263 HydrophobicContact CD2-CG 4.2Å
261L46.1Very low51.5Low35 Ų3541.5 Ų41.518%0.18320%0.196CC..  trans-102.4-44-169.7-58.5170.2000112C88 C91 S94 I156 Q259 Y263C88-L261 WeakPolarHBondContact SG-CD1 3.48Å; C91-L261 HydrophobicContact CB-CD1 4.08Å; C91-L261 HydrophobicContact CB-CD2 3.83Å; S94-L261 VanDerWaalsContact CB-CD1 3.41Å; I156-L261 PolarHBondContact O-N 3.32Å; Q259-L261 HydrophobicContact CB-CD2 3.83Å; Q259-L261 HydrophobicContact CB-CG 4.49Å; Q259-L261 PolarHBondContact O-N 3.18Å; L261-Y263 PolarHBondContact O-N 2.93Å; L261-Y263 VanDerWaalsContact O-N 3.16Å
262A46.9Very low54Low27 Ų2747.3 Ų47.322%0.22322%0.224CC..SBendtrans-87.187.9172.500000108.9L158L158-A262 HydrophobicContact CB-CB 4.33Å; L158-A262 WeakPolarHBondContact O-CB 3.28Å
263Y42.6Very low56.2Low14 Ų1444.7 Ų44.76%0.05521%0.209CC..  trans-146.1119.2167.5-172.8-116000106.3Q66 C67 G175 L260 L261 Q265 F289Q66-Y263 HydrophobicContact CB-CE2 4.5Å; C67-Y263 HydrophobicContact CB-CD2 3.47Å; C67-Y263 VanDerWaalsContact CB-CD2 3.47Å; C67-Y263 HydrophobicContact CB-CE2 3.64Å; G175-Y263 CarbonylContact O-C 3.5Å; G175-Y263 VanDerWaalsContact O-CA 3.31Å; G175-Y263 WeakPolarHBondContact O-CA 3.48Å; G175-Y263 WeakPolarHBondContact O-CD2 2.94Å; L260-Y263 HydrophobicContact CD2-CD2 4.34Å; L260-Y263 HydrophobicContact CD2-CG 4.2Å; L261-Y263 PolarHBondContact O-N 2.93Å; L261-Y263 VanDerWaalsContact O-N 3.16Å; Y263-Q265 HydrophobicContact CD1-CB 4.18Å; Y263-Q265 HydrophobicContact CD1-CG 3.4Å; Y263-Q265 HydrophobicContact CE1-CB 4.41Å; Y263-Q265 HydrophobicContact CE1-CG 3.84Å; Y263-Q265 PolarHBondContact O-N 3.39Å; Y263-F289 HydrophobicContact CD1-CE2 4.35Å; Y263-F289 AromaticContact CE1-CD2 3.89Å; Y263-F289 HydrophobicContact CE1-CD2 3.89Å; Y263-F289 AromaticContact CE1-CE2 3.4Å; Y263-F289 HydrophobicContact CE1-CE2 3.4Å; Y263-F289 VanDerWaalsContact CE1-CE2 3.4Å; Y263-F289 HydrophobicContact CE1-CZ 4.06Å
264H39.9Very low57.9Low55 Ų5543.7 Ų43.726%0.25521%0.212SC..  trans-64.986.6151.7-172.955.3000106.3G175 F176 V266G175-H264 VanDerWaalsContact CA-O 3.31Å; G175-H264 WeakPolarHBondContact CA-O 2.99Å; G175-H264 PolarHBondContact O-N 3.47Å; F176-H264 VanDerWaalsContact O-CB 3.29Å; F176-H264 WeakPolarHBondContact O-CB 3.31Å; H264-V266 VanDerWaalsContact C-N 3.28Å; H264-V266 WeakPolarHBondContact NE2-CA 3.19Å; H264-V266 WeakPolarHBondContact NE2-CG2 3.04Å; H264-V266 PolarHBondContact O-N 2.71Å
265Q51.4Low59.4Low0 Ų047.8 Ų47.80%023%0.23CC..  trans-50.1111139-69.3-176.3-23.900104.4Y263 C267 V276 M280 F289Y263-Q265 HydrophobicContact CD1-CB 4.18Å; Y263-Q265 HydrophobicContact CD1-CG 3.4Å; Y263-Q265 HydrophobicContact CE1-CB 4.41Å; Y263-Q265 HydrophobicContact CE1-CG 3.84Å; Y263-Q265 PolarHBondContact O-N 3.39Å; Q265-C267 HydrophobicContact CB-CB 4.37Å; Q265-C267 PolarHBondContact O-N 2.93Å; Q265-V276 HydrophobicContact CB-CG2 4.09Å; Q265-V276 HydrophobicContact CG-CG2 4.38Å; Q265-M280 VanDerWaalsContact NE2-CG 3.33Å; Q265-F289 HydrophobicContact CB-CB 3.83Å; Q265-F289 HydrophobicContact CB-CD2 4.02Å; Q265-F289 HydrophobicContact CB-CG 4.05Å; Q265-F289 HydrophobicContact CG-CB 3.84Å; Q265-F289 HydrophobicContact CG-CD1 4.18Å; Q265-F289 HydrophobicContact CG-CD2 3.72Å; Q265-F289 HydrophobicContact CG-CE2 4.38Å; Q265-F289 HydrophobicContact CG-CG 3.63Å
266V57Low60.1Low43 Ų4349.6 Ų49.626%0.26124%0.24SC..  trans-57.989.7154.2177.50000103.3H264 K268 T288 F289H264-V266 VanDerWaalsContact C-N 3.28Å; H264-V266 WeakPolarHBondContact NE2-CA 3.19Å; H264-V266 WeakPolarHBondContact NE2-CG2 3.04Å; H264-V266 PolarHBondContact O-N 2.71Å; V266-K268 HydrophobicContact CG1-CD 3.91Å; V266-K268 VanDerWaalsContact CG1-CE 3.47Å; V266-K268 HydrophobicContact CG1-CG 3.77Å; V266-K268 PolarHBondContact O-N 3.24Å; V266-T288 HydrophobicContact CB-CG2 4.03Å; V266-T288 HydrophobicContact CG1-CG2 3.71Å; V266-T288 WeakPolarHBondContact O-CA 3.38Å; V266-T288 WeakPolarHBondContact O-CB 3.46Å; V266-F289 PolarHBondContact O-N 2.82Å
267C69.8Low61.2Low11 Ų1146.3 Ų46.37%0.07423%0.226CC..BIsolated β-bridgetrans-82.380.1-175.8-178.40000104.7Q265 C269 R273 M280 F289 H291Q265-C267 HydrophobicContact CB-CB 4.37Å; Q265-C267 PolarHBondContact O-N 2.93Å; C267-C269 PolarHBondContact O-N 3.14Å; C267-C269 VanDerWaalsContact O-N 3.13Å; C267-R273 PolarHBondContact SG-O 3.18Å; C267-M280 HydrophobicContact CB-CE 4.19Å; C267-M280 WeakPolarHBondContact SG-CE 3.45Å; C267-F289 CarbonylContact C-O 3.59Å; C267-F289 VanDerWaalsContact CA-O 3.29Å; C267-F289 WeakPolarHBondContact CA-O 3.38Å; C267-H291 PolarHBondContact SG-CE1 2.73Å; C267-H291 PolarHBondContact SG-NE2 3.46Å; C267-H291 VanDerWaalsContact SG-NE2 3.45Å
268K78.8Confident62Low126 Ų12645.4 Ų45.455%0.54823%0.23SC..  trans-87.771.1170.9-79.2-179.8-166.5176.40107.3V266 T288 F289 Q290V266-K268 HydrophobicContact CG1-CD 3.91Å; V266-K268 VanDerWaalsContact CG1-CE 3.47Å; V266-K268 HydrophobicContact CG1-CG 3.77Å; V266-K268 PolarHBondContact O-N 3.24Å; K268-T288 HydrophobicContact CB-CG2 4.19Å; K268-T288 HydrophobicContact CD-CG2 3.89Å; K268-T288 HydrophobicContact CG-CG2 4.29Å; K268-F289 PolarHBondContact N-O 3.01Å; K268-F289 VanDerWaalsContact N-O 3.14Å; K268-Q290 PolarHBondContact O-NE2 3.14Å
269C88.4Confident63.5Low9 Ų945.9 Ų45.96%0.06123%0.234CC..  trans-94.6145.5170.6-162.70000110C267 C271 E272 H291 C294C267-C269 PolarHBondContact O-N 3.14Å; C267-C269 VanDerWaalsContact O-N 3.13Å; C269-C271 PolarHBondContact O-N 3.45Å; C269-E272 PolarHBondContact O-N 3.48Å; C269-H291 WeakPolarHBondContact CB-ND1 3.36Å; C269-H291 PolarHBondContact SG-ND1 3.44Å; C269-H291 VanDerWaalsContact SG-ND1 3.37Å; C269-C294 VanDerWaalsContact SG-CB 3.56Å
270L90Very high64.7Low15 Ų1544.5 Ų44.58%0.07923%0.228CC..THydrogen-bonded Turntrans-62.4-15.6179.6-168.465.9000114E272 L331 M347 E352 A355 K356L270-E272 PolarHBondContact O-N 3.42Å; L270-L331 HydrophobicContact CD2-CD2 3.71Å; L270-M347 HydrophobicContact CD2-CE 4.4Å; L270-E352 HydrophobicContact CD1-CG 4.18Å; L270-A355 HydrophobicContact CD2-CB 3.33Å; L270-K356 HydrophobicContact CG-CB 4.35Å
271C89.2Confident66.3Low4 Ų445.2 Ų45.23%0.02723%0.231CC..THydrogen-bonded Turntrans-76.2-2.4173.870.90000113.7C269 R273 H291 C359 L360C269-C271 PolarHBondContact O-N 3.45Å; C271-R273 HydrophobicContact CB-CG 4.48Å; C271-R273 PolarHBondContact O-N 3.45Å; C271-R273 VanDerWaalsContact O-N 3.08Å; C271-R273 PolarHBondContact SG-NE 2.85Å; C271-H291 PolarHBondContact SG-CE1 3.48Å; C271-H291 PolarHBondContact SG-ND1 3.27Å; C271-C359 HydrophobicContact CB-CB 3.92Å; C271-L360 HydrophobicContact CB-CD2 4.03Å
272E82.8Confident67.6Low143 Ų14344.9 Ų44.967%0.66823%0.229SC*.  trans61.113.3-179.1-63.3166.2-16000114.8C269 L270 K356C269-E272 PolarHBondContact O-N 3.48Å; L270-E272 PolarHBondContact O-N 3.42Å; E272-K356 WeakPolarHBondContact OE1-CE 3.06Å; E272-K356 IonicContact OE1-NZ 2.66Å; E272-K356 PolarHBondContact OE1-NZ 2.95Å; E272-K356 IonicContact OE2-NZ 3.13Å; E272-K356 PolarHBondContact OE2-NZ 2.97Å
273R78.8Confident69Low14 Ų1443.6 Ų43.65%0.05322%0.218CC..  trans-92.7126.9174.7-55.4176-52.814220.4109.2C267 C271 H275 E277 H291 L385C267-R273 PolarHBondContact SG-O 3.18Å; C271-R273 HydrophobicContact CB-CG 4.48Å; C271-R273 PolarHBondContact O-N 3.45Å; C271-R273 VanDerWaalsContact O-N 3.08Å; C271-R273 PolarHBondContact SG-NE 2.85Å; R273-H275 VanDerWaalsContact C-N 3.26Å; R273-H275 PolarHBondContact O-N 3.36Å; R273-E277 IonicContact CZ-OE1 3.74Å; R273-E277 IonicContact NH1-OE1 2.76Å; R273-E277 IonicContact NH2-OE1 2.73Å; R273-E277 PolarHBondContact NH2-OE1 3.13Å; R273-H291 PolarHBondContact NH2-ND1 3.35Å; R273-H291 PolarHBondContact O-CE1 3.21Å; R273-H291 VanDerWaalsContact O-CE1 3.27Å; R273-L385 WeakPolarHBondContact CD-O 3.32Å
274E66.9Low70.4Confident149 Ų14944.3 Ų44.370%0.69622%0.224SC*.  trans-83.9-3.1177.2-60.4-174.7164.600113.1
275H66Low72.2Confident124 Ų12445.1 Ų45.157%0.57424%0.235SC*.  trans-61.5136.6-176.8-177.4-94.2000112.5R273 H291R273-H275 VanDerWaalsContact C-N 3.26Å; R273-H275 PolarHBondContact O-N 3.36Å; H275-H291 PolarHBondContact O-CD2 3.24Å; H275-H291 PolarHBondContact O-NE2 2.92Å
276V60.5Low73.4Confident46 Ų4647.5 Ų47.528%0.27925%0.252SS..  trans-89.6127.2177.5174.70000110Q265Q265-V276 HydrophobicContact CB-CG2 4.09Å; Q265-V276 HydrophobicContact CG-CG2 4.38Å
277E62.9Low73.8Confident20 Ų2050.2 Ų50.29%0.09326%0.26CS..  trans-107.7155.8175.7-66.2172.6-166.600110.3R273 A279 M280 H291 Q363R273-E277 IonicContact CZ-OE1 3.74Å; R273-E277 IonicContact NH1-OE1 2.76Å; R273-E277 IonicContact NH2-OE1 2.73Å; R273-E277 PolarHBondContact NH2-OE1 3.13Å; E277-A279 PolarHBondContact O-N 3.23Å; E277-A279 VanDerWaalsContact O-N 3.14Å; E277-M280 HydrophobicContact CB-CG 4.45Å; E277-M280 HydrophobicContact CB-SD 3.87Å; E277-M280 WeakPolarHBondContact O-CG 3.47Å; E277-H291 IonicContact OE1-CD2 3.61Å; E277-H291 PolarHBondContact OE1-CD2 2.85Å; E277-H291 IonicContact OE1-CG 3.98Å; E277-H291 IonicContact OE1-NE2 3.97Å; E277-H291 IonicContact OE2-CD2 3.41Å; E277-H291 IonicContact OE2-CG 3.01Å; E277-Q363 PolarHBondContact OE1-NE2 2.9Å; E277-Q363 PolarHBondContact OE1-OE1 2.94Å; E277-Q363 VanDerWaalsContact OE1-OE1 3.12Å; E277-Q363 PolarHBondContact OE2-NE2 3.34Å; E277-Q363 VanDerWaalsContact OE2-NE2 3.14Å
278P54.8Low73.9Confident73 Ų7350 Ų5047%0.47426%0.259SS..SBendtrans-54-32.9176.7-33.238.9000114.8
279A66.9Low73.8Confident15 Ų1544.1 Ų44.112%0.12423%0.233CC..SBendtrans-115.1111.2-179.200000109.6E277 S292E277-A279 PolarHBondContact O-N 3.23Å; E277-A279 VanDerWaalsContact O-N 3.14Å; A279-S292 WeakPolarHBondContact O-CB 3.44Å; A279-S292 PolarHBondContact O-N 3.37Å
280M73.5Confident73.5Confident7 Ų743.7 Ų43.73%0.03423%0.23CC..EExtended strand (participates in β ladder)trans-135.8145.3-174.7-63.4-76.3-68.400109Q265 C267 E277 F289 Q290 H291Q265-M280 VanDerWaalsContact NE2-CG 3.33Å; C267-M280 HydrophobicContact CB-CE 4.19Å; C267-M280 WeakPolarHBondContact SG-CE 3.45Å; E277-M280 HydrophobicContact CB-CG 4.45Å; E277-M280 HydrophobicContact CB-SD 3.87Å; E277-M280 WeakPolarHBondContact O-CG 3.47Å; M280-F289 HydrophobicContact CB-CB 4.42Å; M280-F289 HydrophobicContact CB-CD1 4Å; M280-F289 HydrophobicContact CE-CB 4Å; M280-Q290 CarbonylContact C-O 3.52Å; M280-Q290 WeakPolarHBondContact CA-O 3.37Å; M280-H291 VanDerWaalsContact SD-CA 3.58Å; M280-H291 HydrophobicContact SD-CB 4.27Å; M280-H291 PolarHBondContact SD-CD2 3.48Å
281L78.6Confident73.2Confident19 Ų1943 Ų4310%0.09923%0.226CC..EExtended strand (participates in β ladder)trans-97.5142.7177.6-61.6165.8000108.9F289 Q290 Y295 K297 H343L281-F289 CarbonylContact O-C 3.19Å; L281-F289 WeakPolarHBondContact O-CA 3.12Å; L281-F289 WeakPolarHBondContact O-CB 3.26Å; L281-F289 WeakPolarHBondContact O-CD1 3.2Å; L281-Q290 HydrophobicContact CB-CB 4.47Å; L281-Q290 PolarHBondContact N-O 3.24Å; L281-Q290 PolarHBondContact O-N 3.24Å; L281-Q290 PolarHBondContact O-OE1 2.8Å; L281-Y295 HydrophobicContact CD1-CD2 4.33Å; L281-Y295 HydrophobicContact CD1-CG 4.09Å; L281-K297 HydrophobicContact CD1-CD 4.21Å; L281-K297 HydrophobicContact CD2-CD 3.82Å; L281-H343 HydrophobicContact CD1-CB 3.88Å
282F73.5Confident73Confident29 Ų2942.9 Ų42.913%0.12723%0.225CC..EExtended strand (participates in β ladder)trans-105.6119.2178.6178.7-110.7000110.5Q66 V284 K287 F289 L321 H343Q66-F282 VanDerWaalsContact NE2-CE2 3.29Å; F282-V284 HydrophobicContact CD1-CG1 4.22Å; F282-V284 HydrophobicContact CE1-CG1 4.37Å; F282-V284 PolarHBondContact O-N 2.64Å; F282-K287 HydrophobicContact CE1-CD 4.39Å; F282-K287 VanDerWaalsContact CE2-C 3.5Å; F282-K287 HydrophobicContact CE2-CB 4.23Å; F282-K287 HydrophobicContact CZ-CB 4.04Å; F282-K287 HydrophobicContact CZ-CD 3.78Å; F282-F289 HydrophobicContact CB-CD1 4.07Å; F282-F289 HydrophobicContact CB-CE1 3.7Å; F282-F289 HydrophobicContact CB-CZ 4.05Å; F282-F289 HydrophobicContact CD2-CD1 4.25Å; F282-F289 AromaticContact CD2-CD2 3.85Å; F282-F289 HydrophobicContact CD2-CD2 3.85Å; F282-F289 AromaticContact CD2-CE1 3.82Å; F282-F289 HydrophobicContact CD2-CE1 3.82Å; F282-F289 AromaticContact CD2-CE2 3.33Å; F282-F289 HydrophobicContact CD2-CE2 3.33Å; F282-F289 HydrophobicContact CD2-CG 4.26Å; F282-F289 AromaticContact CD2-CZ 3.31Å; F282-F289 HydrophobicContact CD2-CZ 3.31Å; F282-F289 HydrophobicContact CE2-CD2 4.42Å; F282-F289 AromaticContact CE2-CE2 3.78Å; F282-F289 HydrophobicContact CE2-CE2 3.78Å; F282-F289 HydrophobicContact CE2-CZ 4.05Å; F282-F289 HydrophobicContact CG-CE1 4.16Å; F282-F289 HydrophobicContact CG-CE2 4.39Å; F282-F289 AromaticContact CG-CZ 3.98Å; F282-F289 HydrophobicContact CG-CZ 3.98Å; F282-L321 HydrophobicContact CE1-CD2 4.16Å; F282-H343 PolarHBondContact O-CE1 3.38Å; F282-H343 VanDerWaalsContact O-CE1 3.28Å
283C77.6Confident73.2Confident0 Ų036.2 Ų36.20%019%0.194CC..  trans-79.4113.8173.1176.90000110.4S285 C286 K287 T288 C330C283-S285 PolarHBondContact O-N 3.34Å; C283-C286 PolarHBondContact SG-SG 3.32Å; C283-K287 VanDerWaalsContact O-CA 3.26Å; C283-K287 WeakPolarHBondContact O-CA 3.29Å; C283-K287 PolarHBondContact O-N 2.71Å; C283-T288 PolarHBondContact N-O 3.48Å; C283-C330 HydrophobicContact CB-CB 3.93Å; C283-C330 PolarHBondContact SG-N 2.76Å; C283-C330 VanDerWaalsContact SG-SG 3.67Å
284V71.1Confident73.9Confident29 Ų2935.5 Ų35.518%0.17619%0.192CC..THydrogen-bonded Turntrans-65.2-23.1-179.9-61.70000113.5F282 K287 L321 D327 V329F282-V284 HydrophobicContact CD1-CG1 4.22Å; F282-V284 HydrophobicContact CE1-CG1 4.37Å; F282-V284 PolarHBondContact O-N 2.64Å; V284-K287 WeakPolarHBondContact O-CD 3.49Å; V284-K287 VanDerWaalsContact O-CE 3.31Å; V284-K287 WeakPolarHBondContact O-CE 3.46Å; V284-K287 PolarHBondContact O-NZ 3.48Å; V284-L321 HydrophobicContact CB-CD2 3.47Å; V284-L321 VanDerWaalsContact CB-CD2 3.47Å; V284-L321 HydrophobicContact CG1-CD2 3.67Å; V284-D327 HydrophobicContact CG2-CB 4.05Å; V284-V329 HydrophobicContact CG2-CG1 3.56Å
285S77Confident75Confident71 Ų7128.7 Ų28.750%0.49716%0.16SC..THydrogen-bonded Turntrans-81-58.6-179.1174.30000112C283 C333C283-S285 PolarHBondContact O-N 3.34Å; S285-C333 VanDerWaalsContact CB-SG 3.57Å; S285-C333 PolarHBondContact OG-SG 2.99Å; S285-C333 VanDerWaalsContact OG-SG 3.34Å
286C78.2Confident76.1Confident51 Ų5123.2 Ų23.235%0.34514%0.136SC..THydrogen-bonded Turntrans-92.60.6-17762.10000114.5C283 T288C283-C286 PolarHBondContact SG-SG 3.32Å; C286-T288 HydrophobicContact CB-CG2 4.36Å; C286-T288 VanDerWaalsContact O-CG2 3.28Å; C286-T288 WeakPolarHBondContact O-CG2 3.17Å; C286-T288 PolarHBondContact O-N 2.92Å; C286-T288 PolarHBondContact SG-OG1 3.12Å
287K64.7Low77.2Confident100 Ų10023.6 Ų23.644%0.43513%0.134SC..  trans57.230179.2-45.8-59.1-178.3-166.50113.6F282 C283 V284F282-K287 HydrophobicContact CE1-CD 4.39Å; F282-K287 VanDerWaalsContact CE2-C 3.5Å; F282-K287 HydrophobicContact CE2-CB 4.23Å; F282-K287 HydrophobicContact CZ-CB 4.04Å; F282-K287 HydrophobicContact CZ-CD 3.78Å; C283-K287 VanDerWaalsContact O-CA 3.26Å; C283-K287 WeakPolarHBondContact O-CA 3.29Å; C283-K287 PolarHBondContact O-N 2.71Å; V284-K287 WeakPolarHBondContact O-CD 3.49Å; V284-K287 VanDerWaalsContact O-CE 3.31Å; V284-K287 WeakPolarHBondContact O-CE 3.46Å; V284-K287 PolarHBondContact O-NZ 3.48Å
288T72.1Confident77.3Confident7 Ų722.6 Ų22.64%0.04313%0.13CC..  trans-113.5163.8179.667.50000110.1V266 K268 C283 C286 Q290V266-T288 HydrophobicContact CB-CG2 4.03Å; V266-T288 HydrophobicContact CG1-CG2 3.71Å; V266-T288 WeakPolarHBondContact O-CA 3.38Å; V266-T288 WeakPolarHBondContact O-CB 3.46Å; K268-T288 HydrophobicContact CB-CG2 4.19Å; K268-T288 HydrophobicContact CD-CG2 3.89Å; K268-T288 HydrophobicContact CG-CG2 4.29Å; C283-T288 PolarHBondContact N-O 3.48Å; C286-T288 HydrophobicContact CB-CG2 4.36Å; C286-T288 VanDerWaalsContact O-CG2 3.28Å; C286-T288 WeakPolarHBondContact O-CG2 3.17Å; C286-T288 PolarHBondContact O-N 2.92Å; C286-T288 PolarHBondContact SG-OG1 3.12Å; T288-Q290 PolarHBondContact O-OE1 3.14Å; T288-Q290 PolarHBondContact OG1-NE2 2.97Å
289F75.7Confident77.3Confident2 Ų220.7 Ų20.71%0.00912%0.12CC..EExtended strand (participates in β ladder)trans-106.7154.9178.1-69-103.9000111.8R63 Y263 Q265 V266 C267 K268 M280 L281 F282R63-F289 HydrophobicContact CG-CE1 3.59Å; R63-F289 HydrophobicContact CG-CZ 3.51Å; Y263-F289 HydrophobicContact CD1-CE2 4.35Å; Y263-F289 AromaticContact CE1-CD2 3.89Å; Y263-F289 HydrophobicContact CE1-CD2 3.89Å; Y263-F289 AromaticContact CE1-CE2 3.4Å; Y263-F289 HydrophobicContact CE1-CE2 3.4Å; Y263-F289 VanDerWaalsContact CE1-CE2 3.4Å; Y263-F289 HydrophobicContact CE1-CZ 4.06Å; Q265-F289 HydrophobicContact CB-CB 3.83Å; Q265-F289 HydrophobicContact CB-CD2 4.02Å; Q265-F289 HydrophobicContact CB-CG 4.05Å; Q265-F289 HydrophobicContact CG-CB 3.84Å; Q265-F289 HydrophobicContact CG-CD1 4.18Å; Q265-F289 HydrophobicContact CG-CD2 3.72Å; Q265-F289 HydrophobicContact CG-CE2 4.38Å; Q265-F289 HydrophobicContact CG-CG 3.63Å; V266-F289 PolarHBondContact O-N 2.82Å; C267-F289 CarbonylContact C-O 3.59Å; C267-F289 VanDerWaalsContact CA-O 3.29Å; C267-F289 WeakPolarHBondContact CA-O 3.38Å; K268-F289 PolarHBondContact N-O 3.01Å; K268-F289 VanDerWaalsContact N-O 3.14Å; M280-F289 HydrophobicContact CB-CB 4.42Å; M280-F289 HydrophobicContact CB-CD1 4Å; M280-F289 HydrophobicContact CE-CB 4Å; L281-F289 CarbonylContact O-C 3.19Å; L281-F289 WeakPolarHBondContact O-CA 3.12Å; L281-F289 WeakPolarHBondContact O-CB 3.26Å; L281-F289 WeakPolarHBondContact O-CD1 3.2Å; F282-F289 HydrophobicContact CB-CD1 4.07Å; F282-F289 HydrophobicContact CB-CE1 3.7Å; F282-F289 HydrophobicContact CB-CZ 4.05Å; F282-F289 HydrophobicContact CD2-CD1 4.25Å; F282-F289 AromaticContact CD2-CD2 3.85Å; F282-F289 HydrophobicContact CD2-CD2 3.85Å; F282-F289 AromaticContact CD2-CE1 3.82Å; F282-F289 HydrophobicContact CD2-CE1 3.82Å; F282-F289 AromaticContact CD2-CE2 3.33Å; F282-F289 HydrophobicContact CD2-CE2 3.33Å; F282-F289 HydrophobicContact CD2-CG 4.26Å; F282-F289 AromaticContact CD2-CZ 3.31Å; F282-F289 HydrophobicContact CD2-CZ 3.31Å; F282-F289 HydrophobicContact CE2-CD2 4.42Å; F282-F289 AromaticContact CE2-CE2 3.78Å; F282-F289 HydrophobicContact CE2-CE2 3.78Å; F282-F289 HydrophobicContact CE2-CZ 4.05Å; F282-F289 HydrophobicContact CG-CE1 4.16Å; F282-F289 HydrophobicContact CG-CE2 4.39Å; F282-F289 AromaticContact CG-CZ 3.98Å; F282-F289 HydrophobicContact CG-CZ 3.98Å
290Q83.4Confident76.1Confident0 Ų022.8 Ų22.80%013%0.129CC..EExtended strand (participates in β ladder)trans-129.8149.2177.9-69.373.142.600109.5K268 M280 L281 T288 S292 Y295 C330 H343K268-Q290 PolarHBondContact O-NE2 3.14Å; M280-Q290 CarbonylContact C-O 3.52Å; M280-Q290 WeakPolarHBondContact CA-O 3.37Å; L281-Q290 HydrophobicContact CB-CB 4.47Å; L281-Q290 PolarHBondContact N-O 3.24Å; L281-Q290 PolarHBondContact O-N 3.24Å; L281-Q290 PolarHBondContact O-OE1 2.8Å; T288-Q290 PolarHBondContact O-OE1 3.14Å; T288-Q290 PolarHBondContact OG1-NE2 2.97Å; Q290-S292 PolarHBondContact O-N 3.24Å; Q290-Y295 HydrophobicContact CB-CD2 3.84Å; Q290-Y295 HydrophobicContact CB-CE2 3.47Å; Q290-Y295 VanDerWaalsContact CB-CE2 3.47Å; Q290-Y295 HydrophobicContact CG-CD2 4.42Å; Q290-Y295 HydrophobicContact CG-CE2 3.58Å; Q290-C330 VanDerWaalsContact CD-CB 3.43Å; Q290-C330 HydrophobicContact CG-CB 3.83Å; Q290-H343 PolarHBondContact OE1-NE2 3.45Å
291H82.3Confident74.2Confident0 Ų028.6 Ų28.60%016%0.156CC..EExtended strand (participates in β ladder)trans-63.7126.4174-50106.4000110C267 C269 C271 R273 H275 E277 M280 V293 C294 Y295C267-H291 PolarHBondContact SG-CE1 2.73Å; C267-H291 PolarHBondContact SG-NE2 3.46Å; C267-H291 VanDerWaalsContact SG-NE2 3.45Å; C269-H291 WeakPolarHBondContact CB-ND1 3.36Å; C269-H291 PolarHBondContact SG-ND1 3.44Å; C269-H291 VanDerWaalsContact SG-ND1 3.37Å; C271-H291 PolarHBondContact SG-CE1 3.48Å; C271-H291 PolarHBondContact SG-ND1 3.27Å; R273-H291 PolarHBondContact NH2-ND1 3.35Å; R273-H291 PolarHBondContact O-CE1 3.21Å; R273-H291 VanDerWaalsContact O-CE1 3.27Å; H275-H291 PolarHBondContact O-CD2 3.24Å; H275-H291 PolarHBondContact O-NE2 2.92Å; E277-H291 IonicContact OE1-CD2 3.61Å; E277-H291 PolarHBondContact OE1-CD2 2.85Å; E277-H291 IonicContact OE1-CG 3.98Å; E277-H291 IonicContact OE1-NE2 3.97Å; E277-H291 IonicContact OE2-CD2 3.41Å; E277-H291 IonicContact OE2-CG 3.01Å; M280-H291 VanDerWaalsContact SD-CA 3.58Å; M280-H291 HydrophobicContact SD-CB 4.27Å; M280-H291 PolarHBondContact SD-CD2 3.48Å; H291-V293 PolarHBondContact O-N 2.85Å; H291-C294 HydrophobicContact CB-CB 3.91Å; H291-C294 VanDerWaalsContact CB-SG 3.59Å; H291-C294 WeakPolarHBondContact O-CB 3.29Å; H291-C294 PolarHBondContact O-N 3.06Å; H291-Y295 PolarHBondContact O-N 2.82Å
292S85.2Confident71.9Confident1 Ų131.4 Ų31.41%0.00718%0.177CC..THydrogen-bonded Turntrans-56-41.7176.8-164.20000110.7A279 Q290 C294 Y295 G296 K297A279-S292 WeakPolarHBondContact O-CB 3.44Å; A279-S292 PolarHBondContact O-N 3.37Å; Q290-S292 PolarHBondContact O-N 3.24Å; S292-C294 VanDerWaalsContact C-N 3.33Å; S292-C294 PolarHBondContact O-N 3.28Å; S292-Y295 CarbonylContact O-C 3.4Å; S292-Y295 PolarHBondContact O-N 3.31Å; S292-Y295 VanDerWaalsContact O-N 3.1Å; S292-G296 PolarHBondContact O-N 3.49Å; S292-K297 CarbonylContact C-O 3.6Å; S292-K297 WeakPolarHBondContact CB-O 3.45Å; S292-K297 PolarHBondContact O-N 3.27Å; S292-K297 WeakPolarHBondContact OG-CB 3.41Å; S292-K297 PolarHBondContact OG-O 2.57Å
293V88.7Confident69.6Low3 Ų334.1 Ų34.12%0.01820%0.2CC..G310 helixtrans-62.2-36.8177.6170.80000112.3H291 Y295 G296 K297 R362 Q363 Y366 F428H291-V293 PolarHBondContact O-N 2.85Å; V293-Y295 PolarHBondContact O-N 3.42Å; V293-G296 PolarHBondContact O-N 3.49Å; V293-K297 WeakPolarHBondContact CA-O 3.23Å; V293-K297 PolarHBondContact N-O 3.41Å; V293-K297 VanDerWaalsContact N-O 3.1Å; V293-R362 HydrophobicContact CG1-CB 4.25Å; V293-R362 WeakPolarHBondContact O-CB 3.14Å; V293-R362 WeakPolarHBondContact O-CD 3.31Å; V293-Q363 HydrophobicContact CG1-CG 4.12Å; V293-Y366 HydrophobicContact CG1-CG 4.12Å; V293-Y366 HydrophobicContact CG2-CD1 4.18Å; V293-Y366 HydrophobicContact CG2-CD2 3.83Å; V293-Y366 HydrophobicContact CG2-CE1 4.34Å; V293-Y366 HydrophobicContact CG2-CE2 4.02Å; V293-Y366 HydrophobicContact CG2-CG 3.91Å; V293-F428 HydrophobicContact CB-CE1 4.35Å; V293-F428 HydrophobicContact CG1-CE1 3.85Å; V293-F428 HydrophobicContact CG1-CZ 3.93Å
294C92Very high67Low0 Ų038.9 Ų38.90%024%0.239CC..G310 helixtrans-64-27.8178.4-73.70000112.4C269 H291 S292 C359 R362C269-C294 VanDerWaalsContact SG-CB 3.56Å; H291-C294 HydrophobicContact CB-CB 3.91Å; H291-C294 VanDerWaalsContact CB-SG 3.59Å; H291-C294 WeakPolarHBondContact O-CB 3.29Å; H291-C294 PolarHBondContact O-N 3.06Å; S292-C294 VanDerWaalsContact C-N 3.33Å; S292-C294 PolarHBondContact O-N 3.28Å; C294-C359 HydrophobicContact CB-CB 3.84Å; C294-R362 WeakPolarHBondContact O-CD 3.29Å; C294-R362 PolarHBondContact O-NH1 3.22Å
295Y91.5Very high64.6Low6 Ų642.5 Ų42.52%0.02427%0.273CS..G310 helixtrans-105.228.7178.5-72.5-97.8000111.9L281 Q290 H291 S292 V293 K297 L331 H343 D344L281-Y295 HydrophobicContact CD1-CD2 4.33Å; L281-Y295 HydrophobicContact CD1-CG 4.09Å; Q290-Y295 HydrophobicContact CB-CD2 3.84Å; Q290-Y295 HydrophobicContact CB-CE2 3.47Å; Q290-Y295 VanDerWaalsContact CB-CE2 3.47Å; Q290-Y295 HydrophobicContact CG-CD2 4.42Å; Q290-Y295 HydrophobicContact CG-CE2 3.58Å; H291-Y295 PolarHBondContact O-N 2.82Å; S292-Y295 CarbonylContact O-C 3.4Å; S292-Y295 PolarHBondContact O-N 3.31Å; S292-Y295 VanDerWaalsContact O-N 3.1Å; V293-Y295 PolarHBondContact O-N 3.42Å; Y295-K297 VanDerWaalsContact C-N 3.33Å; Y295-K297 PolarHBondContact O-N 2.88Å; Y295-L331 HydrophobicContact CE1-CB 4.12Å; Y295-L331 PolarHBondContact OH-N 3.35Å; Y295-H343 HydrophobicContact CD1-CB 3.57Å; Y295-H343 HydrophobicContact CE1-CB 4.14Å; Y295-H343 HydrophobicContact CG-CB 3.97Å; Y295-D344 HydrophobicContact CD1-CB 3.78Å; Y295-D344 HydrophobicContact CG-CB 4.35Å
296G88.4Confident62Low8 Ų843.6 Ų43.68%0.08229%0.286CS..THydrogen-bonded Turntrans74.417.8170.300000114.7S292 V293 L427 F428S292-G296 PolarHBondContact O-N 3.49Å; V293-G296 PolarHBondContact O-N 3.49Å; G296-L427 WeakPolarHBondContact CA-O 2.88Å; G296-F428 VanDerWaalsContact C-CD1 3.44Å; G296-F428 CarbonylContact O-C 3.59Å; G296-F428 WeakPolarHBondContact O-CA 3.24Å; G296-F428 WeakPolarHBondContact O-CD1 3.41Å
297K82.6Confident59.3Low54 Ų5450.2 Ų50.224%0.23531%0.311CS..  trans-115.1110.6179.3-66.9177-173-177.80110.3L281 S292 V293 Y295 A299 H343L281-K297 HydrophobicContact CD1-CD 4.21Å; L281-K297 HydrophobicContact CD2-CD 3.82Å; S292-K297 CarbonylContact C-O 3.6Å; S292-K297 WeakPolarHBondContact CB-O 3.45Å; S292-K297 PolarHBondContact O-N 3.27Å; S292-K297 WeakPolarHBondContact OG-CB 3.41Å; S292-K297 PolarHBondContact OG-O 2.57Å; V293-K297 WeakPolarHBondContact CA-O 3.23Å; V293-K297 PolarHBondContact N-O 3.41Å; V293-K297 VanDerWaalsContact N-O 3.1Å; Y295-K297 VanDerWaalsContact C-N 3.33Å; Y295-K297 PolarHBondContact O-N 2.88Å; K297-A299 VanDerWaalsContact C-N 3.33Å; K297-A299 PolarHBondContact O-N 3.33Å; K297-H343 WeakPolarHBondContact CE-O 3.15Å; K297-H343 PolarHBondContact NZ-O 3.08Å
298A64.9Low57.2Low0 Ų052.4 Ų52.40%033%0.333CS..SBendtrans-78.3-16.5-170.800000114.6Y366 F428 I432A298-Y366 WeakPolarHBondContact O-CE2 3.23Å; A298-F428 HydrophobicContact CB-CB 4.4Å; A298-F428 HydrophobicContact CB-CD1 3.91Å; A298-F428 HydrophobicContact CB-CE1 4.47Å; A298-F428 HydrophobicContact CB-CG 4.21Å; A298-I432 VanDerWaalsContact CB-CA 3.48Å; A298-I432 HydrophobicContact CB-CB 3.59Å; A298-I432 HydrophobicContact CB-CD1 3.99Å; A298-I432 HydrophobicContact CB-CG1 3.71Å
299A55.9Low54.8Low32 Ų3254.6 Ų54.626%0.26436%0.357SS..SBendtrans-166162.6170.900000107.6K297 E301 V435K297-A299 VanDerWaalsContact C-N 3.33Å; K297-A299 PolarHBondContact O-N 3.33Å; A299-E301 PolarHBondContact O-N 3.05Å; A299-V435 HydrophobicContact CB-CG2 3.72Å
300N42.1Very low52.3Low60 Ų6060.8 Ų60.832%0.32139%0.39SS..  trans-57.2111.5168.6-71.19.6000107.6S302N300-S302 PolarHBondContact O-N 2.98Å; N300-S302 VanDerWaalsContact O-N 3.13Å
301E32Very low49.6Very low129 Ų12966.2 Ų66.260%0.60341%0.414SS*.  trans-54.1126.5173.3-74.6-163.2127.600108.5A299A299-E301 PolarHBondContact O-N 3.05Å
302S30.9Very low47Very low77 Ų7771.1 Ų71.154%0.53844%0.437SS..  trans-74.4144.2175.9-55.70000109.1N300N300-S302 PolarHBondContact O-N 2.98Å; N300-S302 VanDerWaalsContact O-N 3.13Å
303S25Very low44.5Very low86 Ų8673.4 Ų73.460%0.60145%0.449SS*.  trans71.1120142.640.50000120.2
304A23.3Very low41.9Very low100 Ų10075.3 Ų75.383%0.82646%0.457SS*.  trans77.374.4131.800000118.9
305A21.7Very low39.1Very low106 Ų10679.7 Ų79.788%0.87648%0.476SS*.  trans177.889.5138.500000111.6
306A21.7Very low36.1Very low93 Ų9382 Ų8277%0.76950%0.497SS*.  trans176.785.3157.300000107.7
307Q21.1Very low33.2Very low190 Ų19087 Ų8789%0.88854%0.537SS*.  54.391.896.5-70.7-170.1-1.400115
308V20.8Very low30.6Very low146 Ų14690 Ų9089%0.88557%0.565SS**  trans34.6108.1135.8-1660000118
309G22.8Very low28.6Very low54 Ų5492.3 Ų92.356%0.55758%0.584SS**  trans-164.5108.9161.600000110.8
310N22.8Very low27.1Very low131 Ų13196.2 Ų96.270%0.70161%0.607SS**  trans-61.8136.1-178.4-68.7-21.7000112.1
311F25.9Very low26.3Very low114 Ų11496.6 Ų96.650%0.561%0.608SS.*  trans-160.8132.7162.2-129.9-90.6000114.5A319F311-A319 HydrophobicContact CE1-CB 4.08Å
312H28Very low26Very low104 Ų10492.4 Ų92.448%0.48159%0.59SS.*  trans-93.7116.1-177.8-140.5-104.3000108.8E42E42-H312 IonicContact OE2-CD2 3.02Å; E42-H312 PolarHBondContact OE2-CD2 3.03Å; E42-H312 VanDerWaalsContact OE2-CD2 3.31Å
313L32.9Very low25.8Very low48 Ų4893.8 Ų93.825%0.25160%0.599SS.*  trans-1162.9-164.7-110.5151.5000116.2L322L313-L322 HydrophobicContact CD1-CD1 3.95Å; L313-L322 HydrophobicContact CD1-CD2 4.35Å; L313-L322 HydrophobicContact CD1-CG 4.13Å
314F32.9Very low26.2Very low44 Ų4493.9 Ų93.919%0.19359%0.593CS.*SBendtrans-94.4-18.4-169.7-126.4-86.4000116.2A23 I65 Y72A23-F314 HydrophobicContact CB-CD1 3.92Å; A23-F314 HydrophobicContact CB-CE1 3.23Å; A23-F314 HydrophobicContact CB-CE2 4.47Å; A23-F314 HydrophobicContact CB-CZ 3.57Å; I65-F314 HydrophobicContact CG1-CE2 4.16Å; I65-F314 HydrophobicContact CG2-CE2 4.2Å; Y72-F314 AromaticContact CE2-CE1 3.57Å; Y72-F314 HydrophobicContact CE2-CE1 3.57Å; Y72-F314 AromaticContact CE2-CZ 3.9Å; Y72-F314 HydrophobicContact CE2-CZ 3.9Å; Y72-F314 AromaticContact CZ-CE1 3.8Å; Y72-F314 VanDerWaalsContact OH-CE1 3.28Å; Y72-F314 WeakPolarHBondContact OH-CE1 3.43Å; Y72-F314 VanDerWaalsContact OH-CZ 3.31Å; Y72-F314 WeakPolarHBondContact OH-CZ 3.2Å
315F34.5Very low27.1Very low91 Ų9195.5 Ų95.540%0.39958%0.583SS.*SBendtrans-123.2-4.5-172-67.3-73.7000116.4H16 T20 Y44H16-F315 AromaticContact CE1-CE1 3.64Å; H16-F315 AromaticContact NE2-CD1 3.43Å; H16-F315 WeakPolarHBondContact NE2-CD1 3.25Å; H16-F315 AromaticContact NE2-CE1 3.26Å; H16-F315 VanDerWaalsContact NE2-CE1 3.26Å; H16-F315 WeakPolarHBondContact NE2-CE1 3.39Å; T20-F315 HydrophobicContact CG2-CZ 4.06Å; Y44-F315 HydrophobicContact CE2-CE2 4.15Å
316A27.7Very low28.3Very low56 Ų5698 Ų9846%0.46358%0.576SS.*  trans-103.2107.7-179.900000111.1S318 A319A316-S318 PolarHBondContact O-N 2.94Å; A316-S318 VanDerWaalsContact O-N 3.08Å; A316-A319 HydrophobicContact CB-CB 4.08Å
317A28.7Very low30.1Very low113 Ų11396.8 Ų96.893%0.93456%0.557SS**THydrogen-bonded Turntrans-67.53.5171.400000113.7
318S26.4Very low33.1Very low117 Ų11789 Ų8982%0.81852%0.522SS*.THydrogen-bonded Turntrans-148.915.9-166.342.40000116.6A316A316-S318 PolarHBondContact O-N 2.94Å; A316-S318 VanDerWaalsContact O-N 3.08Å
319A23.7Very low36.3Very low47 Ų4782.2 Ų82.239%0.38848%0.481SS..PPolyproline II helixtrans-93.2141.4176.700000113.4F311 A316F311-A319 HydrophobicContact CE1-CB 4.08Å; A316-A319 HydrophobicContact CB-CB 4.08Å
320P23.7Very low39.5Very low115 Ų11579.8 Ų79.875%0.74746%0.456SS*.PPolyproline II helixtrans-75149-173.74.611.3000112.5
321L25.4Very low42.9Very low67 Ų6773.8 Ų73.835%0.35142%0.424SS..PPolyproline II helixtrans-65.8126.8-170.6-105.968.9000114.5F282 V284F282-L321 HydrophobicContact CE1-CD2 4.16Å; V284-L321 HydrophobicContact CB-CD2 3.47Å; V284-L321 VanDerWaalsContact CB-CD2 3.47Å; V284-L321 HydrophobicContact CG1-CD2 3.67Å
322L25.9Very low46Very low42 Ų4272.6 Ų72.622%0.2242%0.42CS..  trans29.3104.4133-78.8153.7000120.3G56 I62 L313 L324G56-L322 WeakPolarHBondContact O-CD2 3.38Å; I62-L322 HydrophobicContact CD1-CD1 3.77Å; I62-L322 HydrophobicContact CG1-CD1 4.2Å; L313-L322 HydrophobicContact CD1-CD1 3.95Å; L313-L322 HydrophobicContact CD1-CD2 4.35Å; L313-L322 HydrophobicContact CD1-CG 4.13Å; L322-L324 PolarHBondContact O-N 2.99Å
323S27Very low49.1Very low106 Ų10668.1 Ų68.174%0.74140%0.4SS*.  trans-8175.7161.360.40000112.4
324L33.5Very low51.9Low87 Ų8766.2 Ų66.246%0.45539%0.391SS..SBendtrans-133.7118.8170.5-123102.3000108.1R57 L322R57-L324 WeakPolarHBondContact O-CD1 3.37Å; R57-L324 WeakPolarHBondContact O-CD2 3.48Å; L322-L324 PolarHBondContact O-N 2.99Å
325Q41.7Very low54.7Low134 Ų13469 Ų6963%0.62641%0.408SS*.SBendtrans5377.8175.7-159.8174.320.200113.5D327Q325-D327 PolarHBondContact O-N 3.23Å
326H46.8Very low57.4Low158 Ų15873.1 Ų73.173%0.73143%0.425SS*.THydrogen-bonded Turntrans27.188.9177.8-69.6-73000112T328H326-T328 HydrophobicContact CB-CG2 4.32Å; H326-T328 VanDerWaalsContact O-CA 3.25Å; H326-T328 WeakPolarHBondContact O-CA 3.29Å; H326-T328 WeakPolarHBondContact O-CB 3.1Å; H326-T328 WeakPolarHBondContact O-CG2 3.37Å; H326-T328 PolarHBondContact O-N 3.22Å
327D61.1Low60.2Low68 Ų6874.5 Ų74.536%0.36443%0.425SS..THydrogen-bonded Turntrans-2787176.3-86.5-44.4000112.4V284 Q325V284-D327 HydrophobicContact CG2-CB 4.05Å; Q325-D327 PolarHBondContact O-N 3.23Å
328T83Confident62.8Low26 Ų2674.8 Ų74.816%0.1642%0.42CS..EExtended strand (participates in β ladder)trans-98.5144.6-170.746.80000106.2H326 T341 H343H326-T328 HydrophobicContact CB-CG2 4.32Å; H326-T328 VanDerWaalsContact O-CA 3.25Å; H326-T328 WeakPolarHBondContact O-CA 3.29Å; H326-T328 WeakPolarHBondContact O-CB 3.1Å; H326-T328 WeakPolarHBondContact O-CG2 3.37Å; H326-T328 PolarHBondContact O-N 3.22Å; T328-T341 CarbonylContact C-O 3.57Å; T328-T341 WeakPolarHBondContact CA-O 3.44Å; T328-T341 WeakPolarHBondContact CB-O 3.46Å; T328-T341 HydrophobicContact CG2-CG2 4Å; T328-H343 WeakPolarHBondContact CB-ND1 3.37Å; T328-H343 PolarHBondContact O-CE1 3.45Å; T328-H343 PolarHBondContact OG1-CE1 3.35Å; T328-H343 PolarHBondContact OG1-ND1 3.12Å
329V87.5Confident65.6Low4 Ų473.6 Ų73.62%0.02442%0.417CS..EExtended strand (participates in β ladder)trans-120160.5-176.6-63.40000109.5V284 C333 A334 A340 T341 C342 H343V284-V329 HydrophobicContact CG2-CG1 3.56Å; V329-C333 HydrophobicContact CB-CB 3.7Å; V329-C333 HydrophobicContact CG1-CB 4.38Å; V329-C333 HydrophobicContact CG2-CB 3.95Å; V329-A334 HydrophobicContact CG2-CB 3.75Å; V329-A340 HydrophobicContact CG1-CB 4.11Å; V329-A340 HydrophobicContact CG2-CB 3.58Å; V329-T341 PolarHBondContact N-O 2.73Å; V329-C342 CarbonylContact O-C 3.49Å; V329-C342 WeakPolarHBondContact O-CA 3.26Å; V329-H343 VanDerWaalsContact C-CD2 3.48Å; V329-H343 PolarHBondContact O-CD2 2.91Å; V329-H343 VanDerWaalsContact O-CD2 3.31Å; V329-H343 PolarHBondContact O-N 2.75Å
330C90.4Very high68.5Low3 Ų372.5 Ų72.52%0.0241%0.408CS..  trans-61.5159.3169.472.30000110.6C283 Q290 Q332 C333 A334 H343C283-C330 HydrophobicContact CB-CB 3.93Å; C283-C330 PolarHBondContact SG-N 2.76Å; C283-C330 VanDerWaalsContact SG-SG 3.67Å; Q290-C330 VanDerWaalsContact CD-CB 3.43Å; Q290-C330 HydrophobicContact CG-CB 3.83Å; C330-Q332 VanDerWaalsContact C-N 3.28Å; C330-Q332 PolarHBondContact O-N 3.31Å; C330-C333 PolarHBondContact O-N 3.03Å; C330-C333 VanDerWaalsContact SG-SG 3.65Å; C330-A334 PolarHBondContact O-N 3.26Å; C330-H343 PolarHBondContact N-NE2 3.02Å
331L93.6Very high71.7Confident6 Ų670.2 Ų70.23%0.03139%0.392CS..Hα-helixtrans-51.9-47.1-178.5179.462.9000112L270 Y295 C333 A334 L335 M347 V348 A355L270-L331 HydrophobicContact CD2-CD2 3.71Å; Y295-L331 HydrophobicContact CE1-CB 4.12Å; Y295-L331 PolarHBondContact OH-N 3.35Å; L331-C333 VanDerWaalsContact C-N 3.26Å; L331-C333 PolarHBondContact O-N 3.06Å; L331-A334 PolarHBondContact O-N 3.45Å; L331-A334 VanDerWaalsContact O-N 3.12Å; L331-L335 HydrophobicContact CD1-CD1 4.33Å; L331-L335 HydrophobicContact CD1-CG 4.2Å; L331-L335 HydrophobicContact CG-CD1 4.13Å; L331-L335 HydrophobicContact CG-CG 4.4Å; L331-L335 WeakPolarHBondContact O-CG 3.41Å; L331-L335 PolarHBondContact O-N 3.16Å; L331-M347 HydrophobicContact CD1-CB 3.99Å; L331-M347 HydrophobicContact CD2-CB 4.22Å; L331-V348 HydrophobicContact CD1-CG2 4.06Å; L331-A355 HydrophobicContact CD2-CB 3.83Å
332Q91.7Very high74.8Confident88 Ų8867.2 Ų67.241%0.41138%0.377SS..Hα-helixtrans-60-35179.9-67.2179.2-14.300113C330 K336C330-Q332 VanDerWaalsContact C-N 3.28Å; C330-Q332 PolarHBondContact O-N 3.31Å; Q332-K336 VanDerWaalsContact O-CG 3.29Å; Q332-K336 WeakPolarHBondContact O-CG 3.45Å; Q332-K336 PolarHBondContact O-N 3.17Å
333C92.4Very high77.8Confident11 Ų1165.6 Ų65.67%0.07437%0.368CS..Hα-helixtrans-78.2-34.4176.4-78.70000112.1S285 V329 C330 L331 L335 K336 N337S285-C333 VanDerWaalsContact CB-SG 3.57Å; S285-C333 PolarHBondContact OG-SG 2.99Å; S285-C333 VanDerWaalsContact OG-SG 3.34Å; V329-C333 HydrophobicContact CB-CB 3.7Å; V329-C333 HydrophobicContact CG1-CB 4.38Å; V329-C333 HydrophobicContact CG2-CB 3.95Å; C330-C333 PolarHBondContact O-N 3.03Å; C330-C333 VanDerWaalsContact SG-SG 3.65Å; L331-C333 VanDerWaalsContact C-N 3.26Å; L331-C333 PolarHBondContact O-N 3.06Å; C333-L335 VanDerWaalsContact C-N 3.35Å; C333-K336 PolarHBondContact O-N 3.46Å; C333-N337 PolarHBondContact O-N 3.13Å
334A92.2Very high80.9Confident8 Ų861.4 Ų61.47%0.06634%0.337CS..Hα-helixtrans-64.3-40.6173.600000111.4V329 C330 L331 K336 N337 C342V329-A334 HydrophobicContact CG2-CB 3.75Å; C330-A334 PolarHBondContact O-N 3.26Å; L331-A334 PolarHBondContact O-N 3.45Å; L331-A334 VanDerWaalsContact O-N 3.12Å; A334-K336 VanDerWaalsContact C-N 3.28Å; A334-K336 PolarHBondContact O-N 2.94Å; A334-N337 CarbonylContact O-C 3.56Å; A334-N337 PolarHBondContact O-N 3.1Å; A334-C342 HydrophobicContact CB-CB 3.74Å
335L91.5Very high83.5Confident102 Ų10261.3 Ų61.353%0.53434%0.342SS..Hα-helixtrans-66.7-29.4176.4-67.2176.9000112.9L331 C333 V348L331-L335 HydrophobicContact CD1-CD1 4.33Å; L331-L335 HydrophobicContact CD1-CG 4.2Å; L331-L335 HydrophobicContact CG-CD1 4.13Å; L331-L335 HydrophobicContact CG-CG 4.4Å; L331-L335 WeakPolarHBondContact O-CG 3.41Å; L331-L335 PolarHBondContact O-N 3.16Å; C333-L335 VanDerWaalsContact C-N 3.35Å; L335-V348 HydrophobicContact CD2-CG1 4.19Å
336K90.8Very high85.8Confident178 Ų17857.9 Ų57.977%0.77433%0.333SS*.Hα-helixtrans-81.1-26.6176.5-73174.9-176.2-176.70113.3Q332 C333 A334Q332-K336 VanDerWaalsContact O-CG 3.29Å; Q332-K336 WeakPolarHBondContact O-CG 3.45Å; Q332-K336 PolarHBondContact O-N 3.17Å; C333-K336 PolarHBondContact O-N 3.46Å; A334-K336 VanDerWaalsContact C-N 3.28Å; A334-K336 PolarHBondContact O-N 2.94Å
337N88.2Confident87.8Confident85 Ų8550.4 Ų50.446%0.45530%0.298SS..  trans-133.996.4-179.7179.28.3000109.7C333 A334 A339 A340C333-N337 PolarHBondContact O-N 3.13Å; A334-N337 CarbonylContact O-C 3.56Å; A334-N337 PolarHBondContact O-N 3.1Å; N337-A339 PolarHBondContact O-N 2.99Å; N337-A339 WeakPolarHBondContact OD1-CB 3.46Å; N337-A339 PolarHBondContact OD1-N 3.33Å; N337-A339 VanDerWaalsContact OD1-N 3.17Å; N337-A340 HydrophobicContact CB-CB 4.25Å; N337-A340 WeakPolarHBondContact O-CB 3.12Å; N337-A340 PolarHBondContact O-N 3.48Å
338S82.2Confident89.2Confident119 Ų11950.2 Ų50.283%0.83230%0.299SS*.THydrogen-bonded Turntrans-60.9-15.5-178.1-45.30000114.4
339A85.3Confident89.5Confident92 Ų9254 Ų5476%0.7633%0.327SS*.THydrogen-bonded Turntrans-80.8-17.2173.500000113N337N337-A339 PolarHBondContact O-N 2.99Å; N337-A339 WeakPolarHBondContact OD1-CB 3.46Å; N337-A339 PolarHBondContact OD1-N 3.33Å; N337-A339 VanDerWaalsContact OD1-N 3.17Å
340A85.3Confident89.7Confident23 Ų2356.2 Ų56.219%0.1934%0.338CS..SBendtrans-86.5140.2-179.900000111.2V329 N337V329-A340 HydrophobicContact CG1-CB 4.11Å; V329-A340 HydrophobicContact CG2-CB 3.58Å; N337-A340 HydrophobicContact CB-CB 4.25Å; N337-A340 WeakPolarHBondContact O-CB 3.12Å; N337-A340 PolarHBondContact O-N 3.48Å
341T89.8Confident89.8Confident67 Ų6762.7 Ų62.741%0.41137%0.368SS..EExtended strand (participates in β ladder)trans-88.2126179.5-59.50000109.9T328 V329 P345T328-T341 CarbonylContact C-O 3.57Å; T328-T341 WeakPolarHBondContact CA-O 3.44Å; T328-T341 WeakPolarHBondContact CB-O 3.46Å; T328-T341 HydrophobicContact CG2-CG2 4Å; V329-T341 PolarHBondContact N-O 2.73Å; T341-P345 HydrophobicContact CG2-CG 4.43Å
342C91.2Very high89.6Confident4 Ų468.8 Ų68.83%0.02740%0.396CS..EExtended strand (participates in β ladder)trans-63.4146.4173.6-174.40000110.3V329 A334 D344 V348V329-C342 CarbonylContact O-C 3.49Å; V329-C342 WeakPolarHBondContact O-CA 3.26Å; A334-C342 HydrophobicContact CB-CB 3.74Å; C342-D344 PolarHBondContact O-N 3.27Å; C342-D344 PolarHBondContact SG-N 3.17Å; C342-D344 PolarHBondContact SG-O 3.27Å; C342-V348 HydrophobicContact CB-CG2 3.64Å
343H88.9Confident89.5Confident8 Ų871 Ų714%0.03741%0.411CS..SBendtrans-51.6-30.7170.8-66.7-46000113.6L281 F282 Q290 Y295 K297 T328 V329 C330L281-H343 HydrophobicContact CD1-CB 3.88Å; F282-H343 PolarHBondContact O-CE1 3.38Å; F282-H343 VanDerWaalsContact O-CE1 3.28Å; Q290-H343 PolarHBondContact OE1-NE2 3.45Å; Y295-H343 HydrophobicContact CD1-CB 3.57Å; Y295-H343 HydrophobicContact CE1-CB 4.14Å; Y295-H343 HydrophobicContact CG-CB 3.97Å; K297-H343 WeakPolarHBondContact CE-O 3.15Å; K297-H343 PolarHBondContact NZ-O 3.08Å; T328-H343 WeakPolarHBondContact CB-ND1 3.37Å; T328-H343 PolarHBondContact O-CE1 3.45Å; T328-H343 PolarHBondContact OG1-CE1 3.35Å; T328-H343 PolarHBondContact OG1-ND1 3.12Å; V329-H343 VanDerWaalsContact C-CD2 3.48Å; V329-H343 PolarHBondContact O-CD2 2.91Å; V329-H343 VanDerWaalsContact O-CD2 3.31Å; V329-H343 PolarHBondContact O-N 2.75Å; C330-H343 PolarHBondContact N-NE2 3.02Å
344D91.2Very high89.5Confident18 Ų1875.4 Ų75.410%0.09643%0.431CS..SBendtrans-135.2101171.9-177.91.3000109.4Y295 C342 S346 M347 R362Y295-D344 HydrophobicContact CD1-CB 3.78Å; Y295-D344 HydrophobicContact CG-CB 4.35Å; C342-D344 PolarHBondContact O-N 3.27Å; C342-D344 PolarHBondContact SG-N 3.17Å; C342-D344 PolarHBondContact SG-O 3.27Å; D344-S346 PolarHBondContact O-N 2.98Å; D344-S346 WeakPolarHBondContact OD1-CB 3.37Å; D344-S346 PolarHBondContact OD1-N 2.9Å; D344-S346 PolarHBondContact OD1-OG 3.35Å; D344-S346 VanDerWaalsContact OD1-OG 3.11Å; D344-S346 PolarHBondContact OD2-OG 3.46Å; D344-M347 HydrophobicContact CB-CG 3.81Å; D344-M347 WeakPolarHBondContact O-CB 3.46Å; D344-M347 PolarHBondContact O-N 3.1Å; D344-M347 VanDerWaalsContact O-N 3.16Å; D344-M347 WeakPolarHBondContact OD2-CG 3.37Å; D344-R362 IonicContact OD2-CZ 2.61Å; D344-R362 IonicContact OD2-NH1 3.79Å; D344-R362 PolarHBondContact OD2-NH1 2.95Å; D344-R362 IonicContact OD2-NH2 2.63Å; D344-R362 PolarHBondContact OD2-NH2 2.69Å
345P89.4Confident89.6Confident86 Ų8675 Ų7556%0.55843%0.427SS*.G310 helixtrans-58.9-24.6178-26.736.5000114.1T341 M347 V348T341-P345 HydrophobicContact CG2-CG 4.43Å; P345-M347 PolarHBondContact O-N 3.33Å; P345-M347 VanDerWaalsContact O-N 3.14Å; P345-V348 PolarHBondContact O-N 2.88Å
346S88.7Confident89.8Confident62 Ų6271.7 Ų71.743%0.43441%0.409SS..G310 helixtrans-67.9-13.5179.492.10000113D344D344-S346 PolarHBondContact O-N 2.98Å; D344-S346 WeakPolarHBondContact OD1-CB 3.37Å; D344-S346 PolarHBondContact OD1-N 2.9Å; D344-S346 PolarHBondContact OD1-OG 3.35Å; D344-S346 VanDerWaalsContact OD1-OG 3.11Å; D344-S346 PolarHBondContact OD2-OG 3.46Å
347M90.1Very high89.9Confident0 Ų064.9 Ų64.90%039%0.389CS..G310 helixtrans-86.2-18.4179.6-60.8-71.1-73.400112.7L270 L331 D344 P345 S349 L350 A355 Q358L270-M347 HydrophobicContact CD2-CE 4.4Å; L331-M347 HydrophobicContact CD1-CB 3.99Å; L331-M347 HydrophobicContact CD2-CB 4.22Å; D344-M347 HydrophobicContact CB-CG 3.81Å; D344-M347 WeakPolarHBondContact O-CB 3.46Å; D344-M347 PolarHBondContact O-N 3.1Å; D344-M347 VanDerWaalsContact O-N 3.16Å; D344-M347 WeakPolarHBondContact OD2-CG 3.37Å; P345-M347 PolarHBondContact O-N 3.33Å; P345-M347 VanDerWaalsContact O-N 3.14Å; M347-S349 VanDerWaalsContact C-N 3.31Å; M347-S349 PolarHBondContact O-N 3Å; M347-L350 PolarHBondContact O-N 3.16Å; M347-L350 HydrophobicContact SD-CD1 4.01Å; M347-A355 HydrophobicContact CE-CB 3.72Å; M347-A355 WeakPolarHBondContact CE-O 3.04Å; M347-Q358 HydrophobicContact CE-CB 4.3Å; M347-Q358 HydrophobicContact CE-CG 4.45Å; M347-Q358 HydrophobicContact SD-CB 4.15Å; M347-Q358 HydrophobicContact SD-CG 3.72Å
348V90.2Very high90.1Very high65 Ų6563.1 Ų63.139%0.39438%0.378SS..THydrogen-bonded Turntrans-69.8-29.2-172.9179.50000112.2L331 L335 C342 P345 L350L331-V348 HydrophobicContact CD1-CG2 4.06Å; L335-V348 HydrophobicContact CD2-CG1 4.19Å; C342-V348 HydrophobicContact CB-CG2 3.64Å; P345-V348 PolarHBondContact O-N 2.88Å; V348-L350 VanDerWaalsContact C-N 3.31Å
349S89.2Confident90.7Very high104 Ų10457.4 Ų57.473%0.72734%0.339SS*.THydrogen-bonded Turntrans-85.30.717858.50000114.2M347M347-S349 VanDerWaalsContact C-N 3.31Å; M347-S349 PolarHBondContact O-N 3Å
350L91.7Very high91.2Very high52 Ų5253.3 Ų53.327%0.27230%0.304SS..SBendtrans-98.2144.1-177.2-60.4179.7000110.7M347 V348 Q354 A355 Q358M347-L350 PolarHBondContact O-N 3.16Å; M347-L350 HydrophobicContact SD-CD1 4.01Å; V348-L350 VanDerWaalsContact C-N 3.31Å; L350-Q354 HydrophobicContact CB-CB 4.2Å; L350-A355 HydrophobicContact CB-CB 4.09Å; L350-Q358 HydrophobicContact CD1-CB 4.41Å
351E91.6Very high91.6Very high139 Ų13952.8 Ų52.865%0.6530%0.297SS*.  trans-65.4157.6166.3-66.7178.6169.700110.6D353 Q354 A355E351-D353 VanDerWaalsContact C-N 3.32Å; E351-D353 PolarHBondContact O-N 3.46Å; E351-Q354 HydrophobicContact CB-CG 4.29Å; E351-Q354 WeakPolarHBondContact O-CB 3.07Å; E351-Q354 PolarHBondContact O-N 3.07Å; E351-A355 WeakPolarHBondContact O-CB 3.47Å; E351-A355 PolarHBondContact O-N 2.85Å
352E89.3Confident91.8Very high133 Ų13349.9 Ų49.962%0.62128%0.278SS*.Hα-helixtrans-55.9-44.2-173.4-171.2166.4-164.900112.8L270 Q354 A355 K356L270-E352 HydrophobicContact CD1-CG 4.18Å; E352-Q354 PolarHBondContact O-N 3.5Å; E352-A355 PolarHBondContact O-N 3.03Å; E352-K356 WeakPolarHBondContact O-CB 3.39Å; E352-K356 PolarHBondContact O-N 3.3Å
353D90.5Very high91.9Very high134 Ų13450 Ų5072%0.71728%0.279SS*.Hα-helixtrans-65.2-39.3177.5-74.1-21.2000112.5E351 K356 G357E351-D353 VanDerWaalsContact C-N 3.32Å; E351-D353 PolarHBondContact O-N 3.46Å; D353-K356 PolarHBondContact O-N 3.04Å; D353-G357 PolarHBondContact O-N 2.88Å
354Q93.2Very high92.1Very high104 Ų10449.7 Ų49.749%0.48628%0.277SS..Hα-helixtrans-67.7-41.6177.6-64.2-179.7-5.100110.9L350 E351 E352 G357 Q358L350-Q354 HydrophobicContact CB-CB 4.2Å; E351-Q354 HydrophobicContact CB-CG 4.29Å; E351-Q354 WeakPolarHBondContact O-CB 3.07Å; E351-Q354 PolarHBondContact O-N 3.07Å; E352-Q354 PolarHBondContact O-N 3.5Å; Q354-G357 PolarHBondContact O-N 3.4Å; Q354-Q358 WeakPolarHBondContact O-CB 3.37Å; Q354-Q358 PolarHBondContact O-N 3.33Å
355A93.8Very high92.2Very high0 Ų048.8 Ų48.80%027%0.272CS..Hα-helixtrans-65-43.3176.700000111.3L270 L331 M347 L350 E351 E352 G357 Q358 C359L270-A355 HydrophobicContact CD2-CB 3.33Å; L331-A355 HydrophobicContact CD2-CB 3.83Å; M347-A355 HydrophobicContact CE-CB 3.72Å; M347-A355 WeakPolarHBondContact CE-O 3.04Å; L350-A355 HydrophobicContact CB-CB 4.09Å; E351-A355 WeakPolarHBondContact O-CB 3.47Å; E351-A355 PolarHBondContact O-N 2.85Å; E352-A355 PolarHBondContact O-N 3.03Å; A355-G357 PolarHBondContact O-N 2.91Å; A355-Q358 WeakPolarHBondContact O-CB 3.33Å; A355-Q358 PolarHBondContact O-N 3.12Å; A355-C359 PolarHBondContact O-N 2.84Å; A355-C359 PolarHBondContact O-SG 3.24Å
356K94.2Very high92.1Very high32 Ų3246.7 Ų46.714%0.13925%0.254CS..Hα-helixtrans-59.2-47.4171.7178.8176.5-179.7176.10111.4L270 E272 E352 D353 Q358 C359 L360 D391L270-K356 HydrophobicContact CG-CB 4.35Å; E272-K356 WeakPolarHBondContact OE1-CE 3.06Å; E272-K356 IonicContact OE1-NZ 2.66Å; E272-K356 PolarHBondContact OE1-NZ 2.95Å; E272-K356 IonicContact OE2-NZ 3.13Å; E272-K356 PolarHBondContact OE2-NZ 2.97Å; E352-K356 WeakPolarHBondContact O-CB 3.39Å; E352-K356 PolarHBondContact O-N 3.3Å; D353-K356 PolarHBondContact O-N 3.04Å; K356-Q358 VanDerWaalsContact C-N 3.3Å; K356-Q358 PolarHBondContact O-N 3.02Å; K356-C359 WeakPolarHBondContact O-CB 3.41Å; K356-C359 PolarHBondContact O-N 2.89Å; K356-L360 PolarHBondContact O-N 3.21Å; K356-L360 VanDerWaalsContact O-N 3.08Å; K356-D391 IonicContact NZ-OD2 2.73Å
357G93.9Very high92.1Very high36 Ų3645.8 Ų45.837%0.37124%0.242SC..Hα-helixtrans-57.3-41.8176.400000112.8D353 Q354 A355 L360 Y361D353-G357 PolarHBondContact O-N 2.88Å; Q354-G357 PolarHBondContact O-N 3.4Å; A355-G357 PolarHBondContact O-N 2.91Å; G357-L360 PolarHBondContact O-N 3.1Å; G357-Y361 WeakPolarHBondContact O-CB 3.39Å; G357-Y361 PolarHBondContact O-N 3.39Å
358Q93.4Very high92.2Very high47 Ų4745.8 Ų45.822%0.2224%0.242CC..Hα-helixtrans-63.5-41.5176.5-174.370.8-4.600112.1M347 L350 Q354 A355 K356 Y361 R362M347-Q358 HydrophobicContact CE-CB 4.3Å; M347-Q358 HydrophobicContact CE-CG 4.45Å; M347-Q358 HydrophobicContact SD-CB 4.15Å; M347-Q358 HydrophobicContact SD-CG 3.72Å; L350-Q358 HydrophobicContact CD1-CB 4.41Å; Q354-Q358 WeakPolarHBondContact O-CB 3.37Å; Q354-Q358 PolarHBondContact O-N 3.33Å; A355-Q358 WeakPolarHBondContact O-CB 3.33Å; A355-Q358 PolarHBondContact O-N 3.12Å; K356-Q358 VanDerWaalsContact C-N 3.3Å; K356-Q358 PolarHBondContact O-N 3.02Å; Q358-Y361 PolarHBondContact O-N 3.11Å; Q358-R362 WeakPolarHBondContact O-CB 2.95Å; Q358-R362 WeakPolarHBondContact O-CG 3.26Å; Q358-R362 PolarHBondContact O-N 2.81Å
359C94.3Very high92Very high0 Ų042.8 Ų42.80%022%0.224CC..Hα-helixtrans-59.7-48174.2-66.50000111.5C271 C294 A355 K356 Y361 R362 Q363C271-C359 HydrophobicContact CB-CB 3.92Å; C294-C359 HydrophobicContact CB-CB 3.84Å; A355-C359 PolarHBondContact O-N 2.84Å; A355-C359 PolarHBondContact O-SG 3.24Å; K356-C359 WeakPolarHBondContact O-CB 3.41Å; K356-C359 PolarHBondContact O-N 2.89Å; C359-Y361 PolarHBondContact O-N 2.63Å; C359-R362 PolarHBondContact O-N 2.88Å; C359-Q363 WeakPolarHBondContact O-CB 3.35Å; C359-Q363 VanDerWaalsContact O-CG 3.26Å; C359-Q363 WeakPolarHBondContact O-CG 3.5Å; C359-Q363 PolarHBondContact O-N 3.29Å
360L94.6Very high91.6Very high5 Ų543.7 Ų43.73%0.02622%0.215CC..Hα-helixtrans-64.5-39.3178.6-65.5179.6000112.3C271 K356 G357 Q363 A364 I387 D391C271-L360 HydrophobicContact CB-CD2 4.03Å; K356-L360 PolarHBondContact O-N 3.21Å; K356-L360 VanDerWaalsContact O-N 3.08Å; G357-L360 PolarHBondContact O-N 3.1Å; L360-Q363 PolarHBondContact O-N 3.45Å; L360-A364 WeakPolarHBondContact O-CB 3.35Å; L360-A364 PolarHBondContact O-N 3.19Å; L360-I387 HydrophobicContact CD1-CG2 3.99Å; L360-I387 HydrophobicContact CD2-CG2 3.58Å; L360-I387 HydrophobicContact CG-CG2 4.42Å; L360-D391 HydrophobicContact CD1-CB 3.91Å
361Y95.4Very high91.2Very high13 Ų1342.6 Ų42.65%0.05121%0.211CC..Hα-helixtrans-61.9-47.6176.1-171.7-90.3000111.8G357 Q358 C359 Q363 A364 L365 L395 L399 D402 L427G357-Y361 WeakPolarHBondContact O-CB 3.39Å; G357-Y361 PolarHBondContact O-N 3.39Å; Q358-Y361 PolarHBondContact O-N 3.11Å; C359-Y361 PolarHBondContact O-N 2.63Å; Y361-Q363 VanDerWaalsContact C-N 3.33Å; Y361-Q363 PolarHBondContact O-N 2.91Å; Y361-A364 WeakPolarHBondContact O-CB 3.48Å; Y361-A364 PolarHBondContact O-N 3.02Å; Y361-L365 HydrophobicContact CD1-CD1 4.03Å; Y361-L365 HydrophobicContact CD1-CG 4.08Å; Y361-L365 HydrophobicContact CE1-CD1 3.56Å; Y361-L365 HydrophobicContact CE1-CD2 4.05Å; Y361-L365 HydrophobicContact CE1-CG 3.8Å; Y361-L365 WeakPolarHBondContact O-CG 3.45Å; Y361-L365 PolarHBondContact O-N 3.28Å; Y361-L395 HydrophobicContact CD2-CD1 4.07Å; Y361-L399 HydrophobicContact CD2-CD2 4.07Å; Y361-L399 HydrophobicContact CD2-CG 4.25Å; Y361-L399 HydrophobicContact CE2-CD2 3.57Å; Y361-L399 HydrophobicContact CE2-CG 3.93Å; Y361-D402 VanDerWaalsContact CZ-OD2 3.24Å; Y361-D402 WeakPolarHBondContact OH-CB 3.36Å; Y361-D402 PolarHBondContact OH-OD2 3.29Å; Y361-L427 HydrophobicContact CD1-CD1 3.53Å; Y361-L427 HydrophobicContact CE1-CD1 3.51Å
362R93.8Very high90.9Very high5 Ų545.3 Ų45.32%0.01922%0.215CC..Hα-helixtrans-59.8-43176-73.4171.4169.8170.5-4.7111.9V293 C294 D344 Q358 C359 L365 Y366 L427 F428V293-R362 HydrophobicContact CG1-CB 4.25Å; V293-R362 WeakPolarHBondContact O-CB 3.14Å; V293-R362 WeakPolarHBondContact O-CD 3.31Å; C294-R362 WeakPolarHBondContact O-CD 3.29Å; C294-R362 PolarHBondContact O-NH1 3.22Å; D344-R362 IonicContact OD2-CZ 2.61Å; D344-R362 IonicContact OD2-NH1 3.79Å; D344-R362 PolarHBondContact OD2-NH1 2.95Å; D344-R362 IonicContact OD2-NH2 2.63Å; D344-R362 PolarHBondContact OD2-NH2 2.69Å; Q358-R362 WeakPolarHBondContact O-CB 2.95Å; Q358-R362 WeakPolarHBondContact O-CG 3.26Å; Q358-R362 PolarHBondContact O-N 2.81Å; C359-R362 PolarHBondContact O-N 2.88Å; R362-L365 PolarHBondContact O-N 3.12Å; R362-Y366 WeakPolarHBondContact O-CB 3.42Å; R362-Y366 PolarHBondContact O-N 3.33Å; R362-L427 HydrophobicContact CG-CB 4.49Å; R362-L427 HydrophobicContact CG-CD1 4.32Å; R362-F428 HydrophobicContact CB-CE1 4.32Å; R362-F428 HydrophobicContact CB-CZ 3.85Å; R362-F428 HydrophobicContact CG-CZ 4.19Å
363Q91.9Very high90.8Very high8 Ų841.7 Ų41.74%0.03721%0.205CC..Hα-helixtrans-62.7-41.8176.3-75-73.5-17.100112.3E277 V293 C359 L360 Y361 Y366 F367 L385E277-Q363 PolarHBondContact OE1-NE2 2.9Å; E277-Q363 PolarHBondContact OE1-OE1 2.94Å; E277-Q363 VanDerWaalsContact OE1-OE1 3.12Å; E277-Q363 PolarHBondContact OE2-NE2 3.34Å; E277-Q363 VanDerWaalsContact OE2-NE2 3.14Å; V293-Q363 HydrophobicContact CG1-CG 4.12Å; C359-Q363 WeakPolarHBondContact O-CB 3.35Å; C359-Q363 VanDerWaalsContact O-CG 3.26Å; C359-Q363 WeakPolarHBondContact O-CG 3.5Å; C359-Q363 PolarHBondContact O-N 3.29Å; L360-Q363 PolarHBondContact O-N 3.45Å; Y361-Q363 VanDerWaalsContact C-N 3.33Å; Y361-Q363 PolarHBondContact O-N 2.91Å; Q363-Y366 PolarHBondContact O-N 3.41Å; Q363-F367 WeakPolarHBondContact O-CB 3.32Å; Q363-F367 PolarHBondContact O-N 3.4Å; Q363-L385 HydrophobicContact CB-CD2 3.75Å
364A93.9Very high90.8Very high0 Ų039.8 Ų39.80%019%0.193CC..Hα-helixtrans-62.1-47.4174.400000111.9L360 Y361 Y366 F367 L368 L381 L385 L395 L399L360-A364 WeakPolarHBondContact O-CB 3.35Å; L360-A364 PolarHBondContact O-N 3.19Å; Y361-A364 WeakPolarHBondContact O-CB 3.48Å; Y361-A364 PolarHBondContact O-N 3.02Å; A364-Y366 VanDerWaalsContact C-N 3.3Å; A364-Y366 PolarHBondContact O-N 2.9Å; A364-F367 PolarHBondContact O-N 3.32Å; A364-L368 WeakPolarHBondContact O-CB 3.43Å; A364-L368 WeakPolarHBondContact O-CG 3.31Å; A364-L368 PolarHBondContact O-N 2.87Å; A364-L381 HydrophobicContact CB-CD1 4.33Å; A364-L385 HydrophobicContact CB-CD1 3.84Å; A364-L395 HydrophobicContact CB-CD1 3.83Å; A364-L395 HydrophobicContact CB-CD2 3.96Å; A364-L395 HydrophobicContact CB-CG 4.34Å; A364-L399 HydrophobicContact CB-CD1 4.18Å
365L92.8Very high90.9Very high0 Ų040.1 Ų40.10%019%0.193CC..Hα-helixtrans-58.3-45.3176.3-66.3-170.8000111.2Y361 R362 L368 L369 L399 C404 I420 Q423 A424 L427 F428Y361-L365 HydrophobicContact CD1-CD1 4.03Å; Y361-L365 HydrophobicContact CD1-CG 4.08Å; Y361-L365 HydrophobicContact CE1-CD1 3.56Å; Y361-L365 HydrophobicContact CE1-CD2 4.05Å; Y361-L365 HydrophobicContact CE1-CG 3.8Å; Y361-L365 WeakPolarHBondContact O-CG 3.45Å; Y361-L365 PolarHBondContact O-N 3.28Å; R362-L365 PolarHBondContact O-N 3.12Å; L365-L368 PolarHBondContact O-N 3.38Å; L365-L369 VanDerWaalsContact O-CB 3.32Å; L365-L369 WeakPolarHBondContact O-CB 3.26Å; L365-L369 VanDerWaalsContact O-CG 3.23Å; L365-L369 WeakPolarHBondContact O-CG 3.2Å; L365-L369 PolarHBondContact O-N 2.89Å; L365-L399 HydrophobicContact CD2-CD2 3.74Å; L365-C404 HydrophobicContact CD2-CB 4.37Å; L365-I420 HydrophobicContact CB-CG2 4.47Å; L365-I420 HydrophobicContact CD2-CG1 4.4Å; L365-I420 HydrophobicContact CD2-CG2 4.05Å; L365-Q423 HydrophobicContact CD1-CB 3.9Å; L365-A424 HydrophobicContact CD1-CB 4.37Å; L365-L427 HydrophobicContact CD1-CD1 4Å; L365-F428 HydrophobicContact CB-CE2 4.5Å
366Y88.1Confident90.9Very high42 Ų4240.5 Ų40.517%0.16520%0.195CC..Hα-helixtrans-61.5-46.9179.1-173.2-100.4000112V293 A298 R362 Q363 A364 L369 K370 I432V293-Y366 HydrophobicContact CG1-CG 4.12Å; V293-Y366 HydrophobicContact CG2-CD1 4.18Å; V293-Y366 HydrophobicContact CG2-CD2 3.83Å; V293-Y366 HydrophobicContact CG2-CE1 4.34Å; V293-Y366 HydrophobicContact CG2-CE2 4.02Å; V293-Y366 HydrophobicContact CG2-CG 3.91Å; A298-Y366 WeakPolarHBondContact O-CE2 3.23Å; R362-Y366 WeakPolarHBondContact O-CB 3.42Å; R362-Y366 PolarHBondContact O-N 3.33Å; Q363-Y366 PolarHBondContact O-N 3.41Å; A364-Y366 VanDerWaalsContact C-N 3.3Å; A364-Y366 PolarHBondContact O-N 2.9Å; Y366-L369 PolarHBondContact O-N 3.33Å; Y366-K370 HydrophobicContact CD1-CD 4.29Å; Y366-K370 HydrophobicContact CE1-CD 3.71Å; Y366-K370 HydrophobicContact CE1-CG 4.46Å; Y366-K370 PolarHBondContact O-N 2.95Å; Y366-K370 WeakPolarHBondContact OH-CE 3.35Å; Y366-K370 PolarHBondContact OH-NZ 2.89Å; Y366-I432 HydrophobicContact CD2-CD1 4Å
367F89.3Confident91Very high42 Ų4240.6 Ų40.618%0.18420%0.2CC..Hα-helixtrans-58.6-49175169.7-105000112.1Q363 A364 L369 K370 S371 V376 T380 L381 Q384Q363-F367 WeakPolarHBondContact O-CB 3.32Å; Q363-F367 PolarHBondContact O-N 3.4Å; A364-F367 PolarHBondContact O-N 3.32Å; F367-L369 VanDerWaalsContact C-N 3.3Å; F367-L369 PolarHBondContact O-N 2.9Å; F367-K370 PolarHBondContact O-N 3.4Å; F367-S371 PolarHBondContact O-N 2.83Å; F367-V376 HydrophobicContact CE1-CG2 4.09Å; F367-T380 HydrophobicContact CZ-CG2 4.19Å; F367-L381 HydrophobicContact CD1-CD1 3.89Å; F367-L381 HydrophobicContact CE1-CD1 4.2Å; F367-Q384 HydrophobicContact CD2-CB 4.22Å; F367-Q384 HydrophobicContact CD2-CG 4.4Å; F367-Q384 HydrophobicContact CE1-CB 4.48Å; F367-Q384 HydrophobicContact CE1-CG 4.46Å; F367-Q384 HydrophobicContact CE2-CB 3.91Å; F367-Q384 HydrophobicContact CE2-CG 3.62Å; F367-Q384 HydrophobicContact CZ-CB 4.06Å; F367-Q384 HydrophobicContact CZ-CG 3.67Å
368L91.6Very high91Very high1 Ų141.4 Ų41.41%0.00519%0.193CC..Hα-helixtrans-65.9-33.3179.8-65.8175000112.4A364 L365 S371 V376 L399 V405 V415 I420A364-L368 WeakPolarHBondContact O-CB 3.43Å; A364-L368 WeakPolarHBondContact O-CG 3.31Å; A364-L368 PolarHBondContact O-N 2.87Å; L365-L368 PolarHBondContact O-N 3.38Å; L368-S371 PolarHBondContact O-N 3.12Å; L368-V376 HydrophobicContact CD2-CB 4.16Å; L368-V376 HydrophobicContact CD2-CG1 3.82Å; L368-V376 HydrophobicContact CD2-CG2 4.29Å; L368-L399 HydrophobicContact CD1-CD1 4.49Å; L368-V405 HydrophobicContact CD1-CG1 3.98Å; L368-V415 HydrophobicContact CB-CG1 4.46Å; L368-V415 HydrophobicContact CD2-CG2 4.11Å; L368-I420 HydrophobicContact CB-CD1 3.95Å; L368-I420 HydrophobicContact CD1-CD1 4.08Å
369L86.4Confident91Very high2 Ų242.6 Ų42.61%0.0120%0.204CC..Hα-helixtrans-68-37.1174.2-78170.6000112.2L365 Y366 F367 I420 L421 A424 I432 L436 R441L365-L369 VanDerWaalsContact O-CB 3.32Å; L365-L369 WeakPolarHBondContact O-CB 3.26Å; L365-L369 VanDerWaalsContact O-CG 3.23Å; L365-L369 WeakPolarHBondContact O-CG 3.2Å; L365-L369 PolarHBondContact O-N 2.89Å; Y366-L369 PolarHBondContact O-N 3.33Å; F367-L369 VanDerWaalsContact C-N 3.3Å; F367-L369 PolarHBondContact O-N 2.9Å; L369-I420 HydrophobicContact CD1-CG2 3.95Å; L369-I420 HydrophobicContact CD2-CB 4.37Å; L369-I420 HydrophobicContact CD2-CG2 3.49Å; L369-I420 VanDerWaalsContact CD2-CG2 3.49Å; L369-I420 HydrophobicContact CG-CG2 3.43Å; L369-I420 VanDerWaalsContact CG-CG2 3.43Å; L369-L421 HydrophobicContact CD2-CD2 3.71Å; L369-L421 HydrophobicContact CD2-CG 4.01Å; L369-A424 HydrophobicContact CD1-CB 3.77Å; L369-I432 HydrophobicContact CD1-CD1 3.38Å; L369-I432 HydrophobicContact CD1-CG1 4Å; L369-L436 HydrophobicContact CB-CD1 4.11Å; L369-L436 HydrophobicContact CB-CD2 4.28Å; L369-L436 HydrophobicContact CD1-CD1 4.05Å; L369-L436 HydrophobicContact CD2-CD1 3.74Å; L369-L436 HydrophobicContact CG-CD1 4.16Å; L369-R441 VanDerWaalsContact O-CZ 3.29Å; L369-R441 PolarHBondContact O-NH1 2.99Å; L369-R441 PolarHBondContact O-NH2 3.32Å
370K80.5Confident90.9Very high123 Ų12345.5 Ų45.554%0.53522%0.222SC..Hα-helixtrans-71.5-35173.7-79.6-171.4166.4179.80112.7Y366 F367 R372Y366-K370 HydrophobicContact CD1-CD 4.29Å; Y366-K370 HydrophobicContact CE1-CD 3.71Å; Y366-K370 HydrophobicContact CE1-CG 4.46Å; Y366-K370 PolarHBondContact O-N 2.95Å; Y366-K370 WeakPolarHBondContact OH-CE 3.35Å; Y366-K370 PolarHBondContact OH-NZ 2.89Å; F367-K370 PolarHBondContact O-N 3.4Å; K370-R372 PolarHBondContact O-N 3.35Å
371S83.7Confident90.8Very high28 Ų2845.2 Ų45.220%0.19622%0.22CC..  trans-62.7132.7179.7-179.10000112.7F367 L368 S373 R417 R441F367-S371 PolarHBondContact O-N 2.83Å; L368-S371 PolarHBondContact O-N 3.12Å; S371-S373 PolarHBondContact OG-N 2.83Å; S371-R417 PolarHBondContact O-NH2 3.26Å; S371-R441 PolarHBondContact O-NH2 3.12Å
372R83.6Confident90.7Very high196 Ų19647.9 Ų47.974%0.7423%0.23SC*.  trans-81.9-16.1172-69.1-175.2179.2158.71112.8K370 R417K370-R372 PolarHBondContact O-N 3.35Å; R372-R417 PolarHBondContact O-NH2 2.97Å
373S89.1Confident90.4Very high57 Ų5752.7 Ų52.740%0.39926%0.256SS..  trans-69.9143.3-179-1720000112.4S371 F375 R417S371-S373 PolarHBondContact OG-N 2.83Å; S373-F375 VanDerWaalsContact C-N 3.27Å; S373-F375 VanDerWaalsContact CB-O 3.26Å; S373-F375 WeakPolarHBondContact CB-O 3.09Å; S373-F375 PolarHBondContact OG-N 3.33Å; S373-F375 VanDerWaalsContact OG-N 3.11Å; S373-F375 PolarHBondContact OG-O 2.86Å; S373-R417 PolarHBondContact O-NH2 3.41Å
374M90Very high90Very high95 Ų9558 Ų5847%0.46828%0.281SS..SBendtrans-81.8-9.5169.6-65.9-60.8-65.400112.4V415 R417M374-V415 PolarHBondContact O-N 3.35Å; M374-R417 PolarHBondContact SD-NH1 3.15Å
375F94.3Very high89.7Confident110 Ų11058.1 Ų58.148%0.48228%0.281SS..EExtended strand (participates in β ladder)trans-132.8146.2-178.9-59.3-83.5000110.8S373 K408 V412 L413S373-F375 VanDerWaalsContact C-N 3.27Å; S373-F375 VanDerWaalsContact CB-O 3.26Å; S373-F375 WeakPolarHBondContact CB-O 3.09Å; S373-F375 PolarHBondContact OG-N 3.33Å; S373-F375 VanDerWaalsContact OG-N 3.11Å; S373-F375 PolarHBondContact OG-O 2.86Å; F375-K408 HydrophobicContact CE1-CG 4.33Å; F375-V412 HydrophobicContact CB-CG1 4.21Å; F375-V412 HydrophobicContact CD1-CG1 4.1Å; F375-L413 CarbonylContact C-O 3.53Å; F375-L413 VanDerWaalsContact CA-O 3.3Å; F375-L413 WeakPolarHBondContact CA-O 3.42Å
376V95.1Very high89.4Confident9 Ų964.2 Ų64.26%0.05531%0.314CS..EExtended strand (participates in β ladder)trans-137.4137.2174.665.10000108.5F367 L368 T380 L381 L413 V415F367-V376 HydrophobicContact CE1-CG2 4.09Å; L368-V376 HydrophobicContact CD2-CB 4.16Å; L368-V376 HydrophobicContact CD2-CG1 3.82Å; L368-V376 HydrophobicContact CD2-CG2 4.29Å; V376-T380 HydrophobicContact CG2-CG2 4.27Å; V376-L381 HydrophobicContact CG2-CB 4.5Å; V376-L413 HydrophobicContact CG1-CB 3.9Å; V376-L413 HydrophobicContact CG1-CD1 4.46Å; V376-L413 PolarHBondContact N-O 2.94Å; V376-L413 PolarHBondContact O-N 2.89Å; V376-V415 HydrophobicContact CB-CG2 4.32Å; V376-V415 HydrophobicContact CG1-CG2 3.96Å
377S94.8Very high89.5Confident34 Ų3462.8 Ų62.824%0.23831%0.309CS..EExtended strand (participates in β ladder)trans-83.8149.5172.181.40000110.5T379 T380 L381 Q411S377-T379 PolarHBondContact O-N 3.21Å; S377-T380 WeakPolarHBondContact O-CB 3.24Å; S377-T380 PolarHBondContact O-N 3.37Å; S377-T380 VanDerWaalsContact O-N 3.12Å; S377-T380 WeakPolarHBondContact OG-CB 3.42Å; S377-T380 PolarHBondContact OG-N 3.32Å; S377-T380 PolarHBondContact OG-OG1 3.49Å; S377-L381 PolarHBondContact O-N 3.4Å; S377-Q411 CarbonylContact C-O 3.55Å; S377-Q411 VanDerWaalsContact CA-O 3.24Å; S377-Q411 WeakPolarHBondContact CA-O 3.42Å
378K95.2Very high89.6Confident52 Ų5262.3 Ų62.323%0.22632%0.316CS..Hα-helixtrans-58-36.8172.8-69.9-177.5-178.8169.20111.3L381 R382 L392 A410 Q411 L413K378-L381 PolarHBondContact O-N 2.88Å; K378-R382 WeakPolarHBondContact O-CB 3.46Å; K378-R382 PolarHBondContact O-N 3.08Å; K378-L392 HydrophobicContact CB-CD2 4.31Å; K378-A410 WeakPolarHBondContact CD-O 3.45Å; K378-A410 VanDerWaalsContact CE-O 3.3Å; K378-A410 WeakPolarHBondContact CE-O 3.47Å; K378-A410 PolarHBondContact NZ-O 3.25Å; K378-Q411 PolarHBondContact N-O 3.04Å; K378-L413 HydrophobicContact CG-CD1 4.17Å; K378-L413 HydrophobicContact CG-CG 4.33Å
379T92.8Very high89.6Confident73 Ų7370.3 Ų70.345%0.44835%0.347SS..Hα-helixtrans-60.9-46.2173.9-50.90000111.8S377 L381 R382 L383S377-T379 PolarHBondContact O-N 3.21Å; T379-L381 PolarHBondContact O-N 3.32Å; T379-R382 PolarHBondContact O-N 3.42Å; T379-L383 HydrophobicContact CG2-CD1 4.03Å; T379-L383 HydrophobicContact CG2-CG 4.48Å; T379-L383 VanDerWaalsContact O-CG 3.31Å; T379-L383 WeakPolarHBondContact O-CG 3.18Å; T379-L383 PolarHBondContact O-N 3.03Å
380T92.7Very high89.9Confident60 Ų6075.3 Ų75.337%0.36838%0.378SS..Hα-helixtrans-60.2-46.5175.7-55.20000110.8F367 V376 S377 R382 L383 Q384F367-T380 HydrophobicContact CZ-CG2 4.19Å; V376-T380 HydrophobicContact CG2-CG2 4.27Å; S377-T380 WeakPolarHBondContact O-CB 3.24Å; S377-T380 PolarHBondContact O-N 3.37Å; S377-T380 VanDerWaalsContact O-N 3.12Å; S377-T380 WeakPolarHBondContact OG-CB 3.42Å; S377-T380 PolarHBondContact OG-N 3.32Å; S377-T380 PolarHBondContact OG-OG1 3.49Å; T380-R382 VanDerWaalsContact C-N 3.34Å; T380-R382 PolarHBondContact O-N 3.4Å; T380-L383 PolarHBondContact O-N 2.99Å; T380-Q384 HydrophobicContact CG2-CG 4.04Å; T380-Q384 VanDerWaalsContact O-CB 3.26Å; T380-Q384 WeakPolarHBondContact O-CB 3.46Å; T380-Q384 WeakPolarHBondContact O-CG 3.16Å; T380-Q384 PolarHBondContact O-N 2.66Å
381L91.4Very high90.5Very high0 Ų071.8 Ų71.80%037%0.365CS..Hα-helixtrans-62.2-42.4179.4-16866.4000111.6A364 F367 V376 S377 K378 T379 L385 L392 L395 L399A364-L381 HydrophobicContact CB-CD1 4.33Å; F367-L381 HydrophobicContact CD1-CD1 3.89Å; F367-L381 HydrophobicContact CE1-CD1 4.2Å; V376-L381 HydrophobicContact CG2-CB 4.5Å; S377-L381 PolarHBondContact O-N 3.4Å; K378-L381 PolarHBondContact O-N 2.88Å; T379-L381 PolarHBondContact O-N 3.32Å; L381-L385 HydrophobicContact CD1-CD1 3.81Å; L381-L385 HydrophobicContact CD1-CG 4.34Å; L381-L385 HydrophobicContact CG-CD1 3.95Å; L381-L385 WeakPolarHBondContact O-CB 3.45Å; L381-L385 WeakPolarHBondContact O-CG 3.5Å; L381-L385 PolarHBondContact O-N 2.73Å; L381-L392 HydrophobicContact CB-CD1 4.28Å; L381-L392 HydrophobicContact CD2-CD1 4.2Å; L381-L392 HydrophobicContact CG-CD1 4.34Å; L381-L395 HydrophobicContact CD2-CD2 3.99Å; L381-L395 HydrophobicContact CG-CD2 4.36Å; L381-L399 HydrophobicContact CD2-CD1 4.19Å
382R93.9Very high91.1Very high68 Ų6871 Ų7126%0.25736%0.358SS..Hα-helixtrans-59.9-48.7176.7-166.1-177.182.189.4-5.9112.3K378 T379 T380 N386 I387 L392K378-R382 WeakPolarHBondContact O-CB 3.46Å; K378-R382 PolarHBondContact O-N 3.08Å; T379-R382 PolarHBondContact O-N 3.42Å; T380-R382 VanDerWaalsContact C-N 3.34Å; T380-R382 PolarHBondContact O-N 3.4Å; R382-N386 VanDerWaalsContact O-CA 3.29Å; R382-N386 WeakPolarHBondContact O-CA 3.35Å; R382-N386 PolarHBondContact O-N 3.11Å; R382-I387 HydrophobicContact CG-CG1 4.31Å; R382-I387 WeakPolarHBondContact CG-O 3.45Å; R382-I387 PolarHBondContact NH1-O 3.03Å; R382-I387 PolarHBondContact O-N 3.17Å; R382-I387 VanDerWaalsContact O-N 3.16Å; R382-L392 HydrophobicContact CB-CD1 4.11Å; R382-L392 HydrophobicContact CB-CD2 3.82Å; R382-L392 HydrophobicContact CB-CG 4.49Å; R382-L392 HydrophobicContact CG-CD2 4.05Å
383L87.2Confident91.6Very high107 Ų10768.9 Ų68.956%0.5636%0.355SS*.Hα-helixtrans-69.6-41.9-177.6-68.3174.2000111.5T379 T380 L385 N386T379-L383 HydrophobicContact CG2-CD1 4.03Å; T379-L383 HydrophobicContact CG2-CG 4.48Å; T379-L383 VanDerWaalsContact O-CG 3.31Å; T379-L383 WeakPolarHBondContact O-CG 3.18Å; T379-L383 PolarHBondContact O-N 3.03Å; T380-L383 PolarHBondContact O-N 2.99Å; L383-L385 VanDerWaalsContact C-N 3.33Å; L383-L385 PolarHBondContact O-N 2.86Å; L383-N386 PolarHBondContact O-N 2.99Å
384Q83.8Confident91.9Very high119 Ų11968.6 Ų68.656%0.55636%0.356SS*.Hα-helixtrans-68.3-33.7179.9-69.7-70.9-45.600112.5F367 T380F367-Q384 HydrophobicContact CD2-CB 4.22Å; F367-Q384 HydrophobicContact CD2-CG 4.4Å; F367-Q384 HydrophobicContact CE1-CB 4.48Å; F367-Q384 HydrophobicContact CE1-CG 4.46Å; F367-Q384 HydrophobicContact CE2-CB 3.91Å; F367-Q384 HydrophobicContact CE2-CG 3.62Å; F367-Q384 HydrophobicContact CZ-CB 4.06Å; F367-Q384 HydrophobicContact CZ-CG 3.67Å; T380-Q384 HydrophobicContact CG2-CG 4.04Å; T380-Q384 VanDerWaalsContact O-CB 3.26Å; T380-Q384 WeakPolarHBondContact O-CB 3.46Å; T380-Q384 WeakPolarHBondContact O-CG 3.16Å; T380-Q384 PolarHBondContact O-N 2.66Å
385L87.8Confident92.2Very high3 Ų364.5 Ų64.52%0.01634%0.336CS..Hα-helixtrans-91.5-5.6174.9-61.2178000113R273 Q363 A364 L381 L383 I387 L395R273-L385 WeakPolarHBondContact CD-O 3.32Å; Q363-L385 HydrophobicContact CB-CD2 3.75Å; A364-L385 HydrophobicContact CB-CD1 3.84Å; L381-L385 HydrophobicContact CD1-CD1 3.81Å; L381-L385 HydrophobicContact CD1-CG 4.34Å; L381-L385 HydrophobicContact CG-CD1 3.95Å; L381-L385 WeakPolarHBondContact O-CB 3.45Å; L381-L385 WeakPolarHBondContact O-CG 3.5Å; L381-L385 PolarHBondContact O-N 2.73Å; L383-L385 VanDerWaalsContact C-N 3.33Å; L383-L385 PolarHBondContact O-N 2.86Å; L385-I387 HydrophobicContact CB-CD1 4.24Å; L385-I387 HydrophobicContact CB-CG1 4.22Å; L385-I387 HydrophobicContact CB-CG2 4.17Å; L385-I387 HydrophobicContact CD1-CD1 4.36Å; L385-I387 WeakPolarHBondContact O-CG2 3.49Å; L385-I387 PolarHBondContact O-N 3.35Å; L385-L395 HydrophobicContact CD1-CD2 3.42Å; L385-L395 VanDerWaalsContact CD1-CD2 3.42Å
386N85.5Confident92.4Very high128 Ų12859.5 Ų59.568%0.68432%0.315SS*.THydrogen-bonded Turntrans46.455.3-175.3-166.832.6000113.9R382 L383R382-N386 VanDerWaalsContact O-CA 3.29Å; R382-N386 WeakPolarHBondContact O-CA 3.35Å; R382-N386 PolarHBondContact O-N 3.11Å; L383-N386 PolarHBondContact O-N 2.99Å
387I90.1Very high92.4Very high12 Ų1261.6 Ų61.66%0.06233%0.33CS..  trans-118.9159.8-17759.8178.4000113.9L360 R382 L385 D391 L392 L395L360-I387 HydrophobicContact CD1-CG2 3.99Å; L360-I387 HydrophobicContact CD2-CG2 3.58Å; L360-I387 HydrophobicContact CG-CG2 4.42Å; R382-I387 HydrophobicContact CG-CG1 4.31Å; R382-I387 WeakPolarHBondContact CG-O 3.45Å; R382-I387 PolarHBondContact NH1-O 3.03Å; R382-I387 PolarHBondContact O-N 3.17Å; R382-I387 VanDerWaalsContact O-N 3.16Å; L385-I387 HydrophobicContact CB-CD1 4.24Å; L385-I387 HydrophobicContact CB-CG1 4.22Å; L385-I387 HydrophobicContact CB-CG2 4.17Å; L385-I387 HydrophobicContact CD1-CD1 4.36Å; L385-I387 WeakPolarHBondContact O-CG2 3.49Å; L385-I387 PolarHBondContact O-N 3.35Å; I387-D391 HydrophobicContact CB-CB 4.1Å; I387-D391 HydrophobicContact CD1-CB 4.27Å; I387-L392 HydrophobicContact CD1-CB 4.06Å; I387-L392 HydrophobicContact CD1-CD1 4.21Å; I387-L392 HydrophobicContact CG1-CB 4.33Å; I387-L395 HydrophobicContact CD1-CD2 3.89Å
388G91.1Very high92.5Very high32 Ų3262.5 Ų62.533%0.3334%0.336SS..  trans-71.3170.8172.500000113.4T390 L392G388-T390 VanDerWaalsContact C-N 3.35Å; G388-L392 VanDerWaalsContact O-CB 3.29Å; G388-L392 WeakPolarHBondContact O-CB 3.4Å; G388-L392 PolarHBondContact O-N 3.2Å
389Y92.6Very high92.6Very high168 Ų16860 Ų6066%0.65933%0.325SS*.Hα-helixtrans-68.8-32179.7-73.8-72.9000113.4L392 F393Y389-L392 HydrophobicContact CD1-CD2 4.45Å; Y389-F393 WeakPolarHBondContact O-CB 3.42Å; Y389-F393 PolarHBondContact O-N 2.98Å
390T93.3Very high92.8Very high108 Ų10860.1 Ų60.166%0.66332%0.322SS*.Hα-helixtrans-63.4-53.4176.446.80000111G388 L392 F393 A394G388-T390 VanDerWaalsContact C-N 3.35Å; T390-L392 VanDerWaalsContact C-N 3.33Å; T390-L392 PolarHBondContact O-N 3.46Å; T390-F393 PolarHBondContact O-N 3.21Å; T390-A394 PolarHBondContact O-N 2.87Å; T390-A394 VanDerWaalsContact O-N 3.07Å
391D93Very high93Very high48 Ų4866 Ų6626%0.25734%0.343SS..Hα-helixtrans-62.5-40.3177.7-65.7-22.2000111.5K356 L360 I387 F393 A394 L395K356-D391 IonicContact NZ-OD2 2.73Å; L360-D391 HydrophobicContact CD1-CB 3.91Å; I387-D391 HydrophobicContact CB-CB 4.1Å; I387-D391 HydrophobicContact CD1-CB 4.27Å; D391-F393 VanDerWaalsContact C-N 3.34Å; D391-F393 PolarHBondContact O-N 3.43Å; D391-A394 PolarHBondContact O-N 3.16Å; D391-L395 WeakPolarHBondContact O-CB 3.38Å; D391-L395 PolarHBondContact O-N 3.16Å
392L94.8Very high93.2Very high12 Ų1268.7 Ų68.76%0.06336%0.357CS..Hα-helixtrans-61.3-42.4176.2-179.568.9000112K378 L381 R382 I387 G388 Y389 T390 C396K378-L392 HydrophobicContact CB-CD2 4.31Å; L381-L392 HydrophobicContact CB-CD1 4.28Å; L381-L392 HydrophobicContact CD2-CD1 4.2Å; L381-L392 HydrophobicContact CG-CD1 4.34Å; R382-L392 HydrophobicContact CB-CD1 4.11Å; R382-L392 HydrophobicContact CB-CD2 3.82Å; R382-L392 HydrophobicContact CB-CG 4.49Å; R382-L392 HydrophobicContact CG-CD2 4.05Å; I387-L392 HydrophobicContact CD1-CB 4.06Å; I387-L392 HydrophobicContact CD1-CD1 4.21Å; I387-L392 HydrophobicContact CG1-CB 4.33Å; G388-L392 VanDerWaalsContact O-CB 3.29Å; G388-L392 WeakPolarHBondContact O-CB 3.4Å; G388-L392 PolarHBondContact O-N 3.2Å; Y389-L392 HydrophobicContact CD1-CD2 4.45Å; T390-L392 VanDerWaalsContact C-N 3.33Å; T390-L392 PolarHBondContact O-N 3.46Å; L392-C396 VanDerWaalsContact O-CB 3.3Å; L392-C396 WeakPolarHBondContact O-CB 3.34Å; L392-C396 PolarHBondContact O-N 2.92Å; L392-C396 PolarHBondContact O-SG 3.21Å
393F95Very high93.3Very high152 Ų15267 Ų6767%0.66736%0.361SS*.Hα-helixtrans-65-47.4179.1178.7-93.9000111.5Y389 T390 D391 C396 S397Y389-F393 WeakPolarHBondContact O-CB 3.42Å; Y389-F393 PolarHBondContact O-N 2.98Å; T390-F393 PolarHBondContact O-N 3.21Å; D391-F393 VanDerWaalsContact C-N 3.34Å; D391-F393 PolarHBondContact O-N 3.43Å; F393-C396 PolarHBondContact O-N 3.5Å; F393-S397 WeakPolarHBondContact O-CB 3.38Å; F393-S397 PolarHBondContact O-N 3.26Å; F393-S397 PolarHBondContact O-OG 3.44Å
394A95.7Very high93.7Very high51 Ų5162 Ų6242%0.42134%0.335SS..Hα-helixtrans-60.4-47.1176.100000111.2T390 D391 C396 S397 S398T390-A394 PolarHBondContact O-N 2.87Å; T390-A394 VanDerWaalsContact O-N 3.07Å; D391-A394 PolarHBondContact O-N 3.16Å; A394-C396 PolarHBondContact O-N 3.33Å; A394-S397 WeakPolarHBondContact O-CB 3.46Å; A394-S397 PolarHBondContact O-N 3.41Å; A394-S398 PolarHBondContact O-N 3.37Å; A394-S398 PolarHBondContact O-OG 3.49Å
395L96.6Very high94.3Very high8 Ų856.5 Ų56.54%0.04231%0.309CS..Hα-helixtrans-58.5-49.2178.1174.162.7000112.1Y361 A364 L381 L385 I387 D391 S397 S398 L399Y361-L395 HydrophobicContact CD2-CD1 4.07Å; A364-L395 HydrophobicContact CB-CD1 3.83Å; A364-L395 HydrophobicContact CB-CD2 3.96Å; A364-L395 HydrophobicContact CB-CG 4.34Å; L381-L395 HydrophobicContact CD2-CD2 3.99Å; L381-L395 HydrophobicContact CG-CD2 4.36Å; L385-L395 HydrophobicContact CD1-CD2 3.42Å; L385-L395 VanDerWaalsContact CD1-CD2 3.42Å; I387-L395 HydrophobicContact CD1-CD2 3.89Å; D391-L395 WeakPolarHBondContact O-CB 3.38Å; D391-L395 PolarHBondContact O-N 3.16Å; L395-S397 VanDerWaalsContact C-N 3.3Å; L395-S397 PolarHBondContact O-N 3.28Å; L395-S398 PolarHBondContact O-N 2.87Å; L395-L399 HydrophobicContact CD1-CD1 4.06Å; L395-L399 HydrophobicContact CD1-CG 4.22Å; L395-L399 HydrophobicContact CG-CD1 4Å; L395-L399 WeakPolarHBondContact O-CG 3.41Å; L395-L399 PolarHBondContact O-N 3.05Å
396C97Very high94.7Very high6 Ų661 Ų614%0.04133%0.33CS..Hα-helixtrans-62.6-38.7178.6-75.80000111.8L392 F393 A394 L399 I400L392-C396 VanDerWaalsContact O-CB 3.3Å; L392-C396 WeakPolarHBondContact O-CB 3.34Å; L392-C396 PolarHBondContact O-N 2.92Å; L392-C396 PolarHBondContact O-SG 3.21Å; F393-C396 PolarHBondContact O-N 3.5Å; A394-C396 PolarHBondContact O-N 3.33Å; C396-L399 PolarHBondContact O-N 2.88Å; C396-I400 WeakPolarHBondContact O-CB 3.41Å; C396-I400 WeakPolarHBondContact O-CD1 3.31Å; C396-I400 VanDerWaalsContact O-CG1 3.23Å; C396-I400 WeakPolarHBondContact O-CG1 3.47Å; C396-I400 PolarHBondContact O-N 3.48Å
397S96Very high95.1Very high53 Ų5357.8 Ų57.837%0.37132%0.318SS..Hα-helixtrans-62.8-44.5176.9-58.60000111.4F393 A394 L395 I400 K401F393-S397 WeakPolarHBondContact O-CB 3.38Å; F393-S397 PolarHBondContact O-N 3.26Å; F393-S397 PolarHBondContact O-OG 3.44Å; A394-S397 WeakPolarHBondContact O-CB 3.46Å; A394-S397 PolarHBondContact O-N 3.41Å; L395-S397 VanDerWaalsContact C-N 3.3Å; L395-S397 PolarHBondContact O-N 3.28Å; S397-I400 PolarHBondContact O-N 3.35Å; S397-K401 WeakPolarHBondContact O-CB 3.3Å; S397-K401 PolarHBondContact O-N 3.14Å
398S96.9Very high95.2Very high53 Ų5362.9 Ų62.937%0.37134%0.34SS..Hα-helixtrans-63.7-44.9175.1-600000112.3A394 L395 I400 K401 D402A394-S398 PolarHBondContact O-N 3.37Å; A394-S398 PolarHBondContact O-OG 3.49Å; L395-S398 PolarHBondContact O-N 2.87Å; S398-I400 VanDerWaalsContact C-N 3.29Å; S398-I400 PolarHBondContact O-N 2.87Å; S398-K401 PolarHBondContact O-N 2.83Å; S398-D402 PolarHBondContact O-N 3Å
399L97.6Very high95.2Very high0 Ų064 Ų640%034%0.343CS..Hα-helixtrans-63-35.1178.2-71.6169.4000112.7Y361 A364 L365 L368 L381 L395 C396 G403 C404 V405Y361-L399 HydrophobicContact CD2-CD2 4.07Å; Y361-L399 HydrophobicContact CD2-CG 4.25Å; Y361-L399 HydrophobicContact CE2-CD2 3.57Å; Y361-L399 HydrophobicContact CE2-CG 3.93Å; A364-L399 HydrophobicContact CB-CD1 4.18Å; L365-L399 HydrophobicContact CD2-CD2 3.74Å; L368-L399 HydrophobicContact CD1-CD1 4.49Å; L381-L399 HydrophobicContact CD2-CD1 4.19Å; L395-L399 HydrophobicContact CD1-CD1 4.06Å; L395-L399 HydrophobicContact CD1-CG 4.22Å; L395-L399 HydrophobicContact CG-CD1 4Å; L395-L399 WeakPolarHBondContact O-CG 3.41Å; L395-L399 PolarHBondContact O-N 3.05Å; C396-L399 PolarHBondContact O-N 2.88Å; L399-G403 PolarHBondContact O-N 3.08Å; L399-C404 HydrophobicContact CB-CB 4.37Å; L399-C404 HydrophobicContact CD2-CB 3.85Å; L399-C404 WeakPolarHBondContact O-CB 3.13Å; L399-C404 PolarHBondContact O-N 3.05Å; L399-V405 HydrophobicContact CB-CG1 4.39Å; L399-V405 HydrophobicContact CB-CG2 3.62Å; L399-V405 PolarHBondContact O-N 2.85Å
400I96.4Very high95.1Very high75 Ų7559.5 Ų59.539%0.38534%0.34SS..Hα-helixtrans-71.8-44.8175.5-69.2166.6000110.3C396 S397 S398 D402 G403 V405 L413C396-I400 WeakPolarHBondContact O-CB 3.41Å; C396-I400 WeakPolarHBondContact O-CD1 3.31Å; C396-I400 VanDerWaalsContact O-CG1 3.23Å; C396-I400 WeakPolarHBondContact O-CG1 3.47Å; C396-I400 PolarHBondContact O-N 3.48Å; S397-I400 PolarHBondContact O-N 3.35Å; S398-I400 VanDerWaalsContact C-N 3.29Å; S398-I400 PolarHBondContact O-N 2.87Å; I400-D402 VanDerWaalsContact C-N 3.25Å; I400-D402 PolarHBondContact O-N 3.26Å; I400-G403 PolarHBondContact O-N 3.1Å; I400-V405 HydrophobicContact CG1-CG2 3.67Å; I400-L413 HydrophobicContact CD1-CD2 4.5Å
401K96.4Very high95Very high182 Ų18259.3 Ų59.379%0.79133%0.332SS*.Hα-helixtrans-55.8-41.6178.2-176.7-175.4176.5-173.60111.8S397 S398 G403S397-K401 WeakPolarHBondContact O-CB 3.3Å; S397-K401 PolarHBondContact O-N 3.14Å; S398-K401 PolarHBondContact O-N 2.83Å; K401-G403 VanDerWaalsContact C-N 3.25Å; K401-G403 PolarHBondContact O-N 2.75Å
402D96.2Very high95.1Very high58 Ų5859.4 Ų59.431%0.3133%0.334SS..THydrogen-bonded Turntrans-84.52.7179.9-62.4-21.9000113.6Y361 S398 I400 C404 Q423Y361-D402 VanDerWaalsContact CZ-OD2 3.24Å; Y361-D402 WeakPolarHBondContact OH-CB 3.36Å; Y361-D402 PolarHBondContact OH-OD2 3.29Å; S398-D402 PolarHBondContact O-N 3Å; I400-D402 VanDerWaalsContact C-N 3.25Å; I400-D402 PolarHBondContact O-N 3.26Å; D402-C404 PolarHBondContact O-N 2.8Å; D402-Q423 HydrophobicContact CB-CG 4.17Å
403G95.5Very high95.2Very high33 Ų3358.9 Ų58.934%0.3433%0.331SS..THydrogen-bonded Turntrans69.410.3-179.700000114.4L399 I400 K401 V405 Q416 A419L399-G403 PolarHBondContact O-N 3.08Å; I400-G403 PolarHBondContact O-N 3.1Å; K401-G403 VanDerWaalsContact C-N 3.25Å; K401-G403 PolarHBondContact O-N 2.75Å; G403-V405 VanDerWaalsContact C-N 3.28Å; G403-V405 PolarHBondContact O-N 2.85Å; G403-Q416 WeakPolarHBondContact O-CB 3.23Å; G403-Q416 WeakPolarHBondContact O-CG 3.3Å; G403-A419 VanDerWaalsContact O-CB 3.24Å; G403-A419 WeakPolarHBondContact O-CB 3.38Å
404C96.1Very high95.3Very high0 Ų052.2 Ų52.20%030%0.303CS..SBendtrans-65.7-31.9177.5-74.20000112.3L365 L399 D402 Q416 I420 Q423L365-C404 HydrophobicContact CD2-CB 4.37Å; L399-C404 HydrophobicContact CB-CB 4.37Å; L399-C404 HydrophobicContact CD2-CB 3.85Å; L399-C404 WeakPolarHBondContact O-CB 3.13Å; L399-C404 PolarHBondContact O-N 3.05Å; D402-C404 PolarHBondContact O-N 2.8Å; C404-Q416 WeakPolarHBondContact O-CB 3.47Å; C404-Q416 PolarHBondContact O-N 2.58Å; C404-I420 HydrophobicContact CB-CG1 3.71Å; C404-Q423 VanDerWaalsContact SG-CG 3.56Å
405V96.7Very high95.3Very high4 Ų449.8 Ų49.82%0.02428%0.284CS..EExtended strand (participates in β ladder)trans-137.6153174.7-56.50000111.4L368 L399 I400 G403 L413 S414L368-V405 HydrophobicContact CD1-CG1 3.98Å; L399-V405 HydrophobicContact CB-CG1 4.39Å; L399-V405 HydrophobicContact CB-CG2 3.62Å; L399-V405 PolarHBondContact O-N 2.85Å; I400-V405 HydrophobicContact CG1-CG2 3.67Å; G403-V405 VanDerWaalsContact C-N 3.28Å; G403-V405 PolarHBondContact O-N 2.85Å; V405-L413 HydrophobicContact CB-CB 4.19Å; V405-L413 HydrophobicContact CG2-CB 4.48Å; V405-L413 HydrophobicContact CG2-CD1 4.14Å; V405-L413 HydrophobicContact CG2-CD2 4.34Å; V405-S414 CarbonylContact C-O 3.41Å; V405-S414 VanDerWaalsContact CA-O 3.24Å; V405-S414 WeakPolarHBondContact CA-O 3.49Å
406Q95.4Very high95.2Very high97 Ų9752.9 Ų52.945%0.45330%0.298SS..EExtended strand (participates in β ladder)trans-120.4128.8173.4-170.2-17524.800110.2K408 L413 S414Q406-K408 PolarHBondContact O-N 3.42Å; Q406-L413 CarbonylContact O-C 3.51Å; Q406-L413 WeakPolarHBondContact O-CA 3.3Å; Q406-S414 PolarHBondContact N-O 3.09Å; Q406-S414 PolarHBondContact O-N 2.96Å
407S93.8Very high94.9Very high62 Ų6255.5 Ų55.543%0.43431%0.307SS..EExtended strand (participates in β ladder)trans-65.6122.6174.1-168.10000110.7S409S407-S409 PolarHBondContact OG-O 3.45Å
408K92.8Very high94.6Very high119 Ų11963.8 Ų63.852%0.51733%0.33SS..SBendtrans-104.6-29.7173.4-65.8-59.7-173.5-172.20112F375 Q406 V412F375-K408 HydrophobicContact CE1-CG 4.33Å; Q406-K408 PolarHBondContact O-N 3.42Å; K408-V412 PolarHBondContact N-O 3.04Å
409S92.1Very high94.4Very high56 Ų5662.2 Ų62.239%0.39232%0.32SS..SBendtrans-149.4-179.6172.1740000109.6S407 Q411 V412S407-S409 PolarHBondContact OG-O 3.45Å; S409-Q411 PolarHBondContact O-N 3.39Å; S409-Q411 VanDerWaalsContact O-N 3.09Å; S409-Q411 PolarHBondContact OG-N 3.44Å; S409-V412 PolarHBondContact N-O 3.31Å; S409-V412 WeakPolarHBondContact OG-CB 3.46Å; S409-V412 PolarHBondContact OG-N 3.12Å; S409-V412 VanDerWaalsContact OG-N 3.09Å
410A89.3Confident94.1Very high73 Ų7362.2 Ų62.260%0.60332%0.32SS*.SBendtrans-54.1-3117600000113.2K378K378-A410 WeakPolarHBondContact CD-O 3.45Å; K378-A410 VanDerWaalsContact CE-O 3.3Å; K378-A410 WeakPolarHBondContact CE-O 3.47Å; K378-A410 PolarHBondContact NZ-O 3.25Å
411Q92Very high93.7Very high103 Ų10361.5 Ų61.548%0.48132%0.316SS..SBendtrans-115.9-17.5-173.3-63.2-58-25.600114.9S377 K378 S409S377-Q411 CarbonylContact C-O 3.55Å; S377-Q411 VanDerWaalsContact CA-O 3.24Å; S377-Q411 WeakPolarHBondContact CA-O 3.42Å; K378-Q411 PolarHBondContact N-O 3.04Å; S409-Q411 PolarHBondContact O-N 3.39Å; S409-Q411 VanDerWaalsContact O-N 3.09Å; S409-Q411 PolarHBondContact OG-N 3.44Å
412V94.9Very high93.4Very high51 Ų5158.7 Ų58.731%0.30931%0.306SS..EExtended strand (participates in β ladder)trans-112.2129.5-172.6-177.50000111.5F375 K408 S409F375-V412 HydrophobicContact CB-CG1 4.21Å; F375-V412 HydrophobicContact CD1-CG1 4.1Å; K408-V412 PolarHBondContact N-O 3.04Å; S409-V412 PolarHBondContact N-O 3.31Å; S409-V412 WeakPolarHBondContact OG-CB 3.46Å; S409-V412 PolarHBondContact OG-N 3.12Å; S409-V412 VanDerWaalsContact OG-N 3.09Å
413L96.7Very high93.2Very high0 Ų057.8 Ų57.80%030%0.3CS..EExtended strand (participates in β ladder)trans-112.8132.5177.6-57.7174.3000109.8F375 V376 K378 I400 V405 Q406F375-L413 CarbonylContact C-O 3.53Å; F375-L413 VanDerWaalsContact CA-O 3.3Å; F375-L413 WeakPolarHBondContact CA-O 3.42Å; V376-L413 HydrophobicContact CG1-CB 3.9Å; V376-L413 HydrophobicContact CG1-CD1 4.46Å; V376-L413 PolarHBondContact N-O 2.94Å; V376-L413 PolarHBondContact O-N 2.89Å; K378-L413 HydrophobicContact CG-CD1 4.17Å; K378-L413 HydrophobicContact CG-CG 4.33Å; I400-L413 HydrophobicContact CD1-CD2 4.5Å; V405-L413 HydrophobicContact CB-CB 4.19Å; V405-L413 HydrophobicContact CG2-CB 4.48Å; V405-L413 HydrophobicContact CG2-CD1 4.14Å; V405-L413 HydrophobicContact CG2-CD2 4.34Å; Q406-L413 CarbonylContact O-C 3.51Å; Q406-L413 WeakPolarHBondContact O-CA 3.3Å
414S96.1Very high92.8Very high12 Ų1256.2 Ų56.28%0.08428%0.284CS..EExtended strand (participates in β ladder)trans-87.8128.2170.8178.80000110.2V405 Q406 Q416V405-S414 CarbonylContact C-O 3.41Å; V405-S414 VanDerWaalsContact CA-O 3.24Å; V405-S414 WeakPolarHBondContact CA-O 3.49Å; Q406-S414 PolarHBondContact N-O 3.09Å; Q406-S414 PolarHBondContact O-N 2.96Å; S414-Q416 PolarHBondContact OG-NE2 3.38Å
415V95.9Very high92.3Very high1 Ų162.2 Ų62.21%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-85.9119.6-172.4-179.40000110.7L368 M374 V376 R417 I420L368-V415 HydrophobicContact CB-CG1 4.46Å; L368-V415 HydrophobicContact CD2-CG2 4.11Å; M374-V415 PolarHBondContact O-N 3.35Å; V376-V415 HydrophobicContact CB-CG2 4.32Å; V376-V415 HydrophobicContact CG1-CG2 3.96Å; V415-R417 HydrophobicContact CG1-CG 4.33Å; V415-R417 PolarHBondContact O-N 2.91Å; V415-I420 HydrophobicContact CG1-CD1 3.39Å
416Q95Very high91.8Very high72 Ų7267.4 Ų67.434%0.33634%0.337SS..  trans-99.384.4-178.9-55.7-54.5-41.400110.8G403 C404 S414 R418 A419 I420G403-Q416 WeakPolarHBondContact O-CB 3.23Å; G403-Q416 WeakPolarHBondContact O-CG 3.3Å; C404-Q416 WeakPolarHBondContact O-CB 3.47Å; C404-Q416 PolarHBondContact O-N 2.58Å; S414-Q416 PolarHBondContact OG-NE2 3.38Å; Q416-R418 VanDerWaalsContact C-N 3.27Å; Q416-R418 PolarHBondContact O-N 3.45Å; Q416-R418 VanDerWaalsContact O-N 3.13Å; Q416-A419 HydrophobicContact CB-CB 4.23Å; Q416-A419 PolarHBondContact O-N 2.92Å; Q416-A419 VanDerWaalsContact O-N 3.13Å; Q416-I420 WeakPolarHBondContact O-CG1 3.44Å; Q416-I420 PolarHBondContact O-N 3.46Å
417R90.8Very high91.3Very high62 Ų6264.1 Ų64.123%0.23432%0.322CS..Hα-helixtrans-56.9-34-172-72.2-167.7172.1111.84.5115.1S371 R372 S373 M374 V415 I420 L421S371-R417 PolarHBondContact O-NH2 3.26Å; R372-R417 PolarHBondContact O-NH2 2.97Å; S373-R417 PolarHBondContact O-NH2 3.41Å; M374-R417 PolarHBondContact SD-NH1 3.15Å; V415-R417 HydrophobicContact CG1-CG 4.33Å; V415-R417 PolarHBondContact O-N 2.91Å; R417-I420 PolarHBondContact O-N 3.09Å; R417-L421 WeakPolarHBondContact O-CB 3.34Å; R417-L421 VanDerWaalsContact O-CG 3.31Å; R417-L421 WeakPolarHBondContact O-CG 3.43Å; R417-L421 PolarHBondContact O-N 2.85Å
418R90Very high90.7Very high227 Ų22761.2 Ų61.286%0.85730%0.302SS*.Hα-helixtrans-63.7-47.2178.2-71.6-176.2179.9165.6-0.7111.3Q416 L421 Q422Q416-R418 VanDerWaalsContact C-N 3.27Å; Q416-R418 PolarHBondContact O-N 3.45Å; Q416-R418 VanDerWaalsContact O-N 3.13Å; R418-L421 PolarHBondContact O-N 3.44Å; R418-Q422 PolarHBondContact O-N 3.21Å; R418-Q422 VanDerWaalsContact O-N 3.09Å
419A92.7Very high89.5Confident19 Ų1962.8 Ų62.816%0.15732%0.315CS..Hα-helixtrans-65.3-42.9176.900000111.6G403 Q416 L421 Q422 Q423G403-A419 VanDerWaalsContact O-CB 3.24Å; G403-A419 WeakPolarHBondContact O-CB 3.38Å; Q416-A419 HydrophobicContact CB-CB 4.23Å; Q416-A419 PolarHBondContact O-N 2.92Å; Q416-A419 VanDerWaalsContact O-N 3.13Å; A419-L421 VanDerWaalsContact C-N 3.34Å; A419-L421 PolarHBondContact O-N 2.99Å; A419-Q422 WeakPolarHBondContact O-CB 3.33Å; A419-Q422 PolarHBondContact O-N 3.07Å; A419-Q422 VanDerWaalsContact O-N 3.08Å; A419-Q423 PolarHBondContact O-N 2.82Å
420I91.2Very high88Confident0 Ų061.3 Ų61.30%031%0.309CS..Hα-helixtrans-59.2-44.4176.3-65170.1000111.2L365 L368 L369 C404 V415 Q416 R417 Q422 Q423 A424L365-I420 HydrophobicContact CB-CG2 4.47Å; L365-I420 HydrophobicContact CD2-CG1 4.4Å; L365-I420 HydrophobicContact CD2-CG2 4.05Å; L368-I420 HydrophobicContact CB-CD1 3.95Å; L368-I420 HydrophobicContact CD1-CD1 4.08Å; L369-I420 HydrophobicContact CD1-CG2 3.95Å; L369-I420 HydrophobicContact CD2-CB 4.37Å; L369-I420 HydrophobicContact CD2-CG2 3.49Å; L369-I420 VanDerWaalsContact CD2-CG2 3.49Å; L369-I420 HydrophobicContact CG-CG2 3.43Å; L369-I420 VanDerWaalsContact CG-CG2 3.43Å; C404-I420 HydrophobicContact CB-CG1 3.71Å; V415-I420 HydrophobicContact CG1-CD1 3.39Å; Q416-I420 WeakPolarHBondContact O-CG1 3.44Å; Q416-I420 PolarHBondContact O-N 3.46Å; R417-I420 PolarHBondContact O-N 3.09Å; I420-Q422 VanDerWaalsContact C-N 3.3Å; I420-Q422 PolarHBondContact O-N 2.94Å; I420-Q423 PolarHBondContact O-N 3.33Å; I420-A424 WeakPolarHBondContact O-CB 3.43Å; I420-A424 PolarHBondContact O-N 3.28Å
421L88.7Confident86.5Confident60 Ų6058.7 Ų58.731%0.31429%0.286SS..Hα-helixtrans-64.8-33.8176.6-75.8169.8000112.5L369 R417 R418 A419 K425 L436L369-L421 HydrophobicContact CD2-CD2 3.71Å; L369-L421 HydrophobicContact CD2-CG 4.01Å; R417-L421 WeakPolarHBondContact O-CB 3.34Å; R417-L421 VanDerWaalsContact O-CG 3.31Å; R417-L421 WeakPolarHBondContact O-CG 3.43Å; R417-L421 PolarHBondContact O-N 2.85Å; R418-L421 PolarHBondContact O-N 3.44Å; A419-L421 VanDerWaalsContact C-N 3.34Å; A419-L421 PolarHBondContact O-N 2.99Å; L421-K425 VanDerWaalsContact O-CG 3.3Å; L421-K425 WeakPolarHBondContact O-CG 3.49Å; L421-K425 PolarHBondContact O-N 2.77Å; L421-L436 HydrophobicContact CD2-CD1 3.68Å
422Q90Very high84.7Confident124 Ų12453.9 Ų53.958%0.57926%0.264SS*.Hα-helixtrans-67.5-49.8175.6-176.4177-0.100111.1R418 A419 I420 A424 K425 I426R418-Q422 PolarHBondContact O-N 3.21Å; R418-Q422 VanDerWaalsContact O-N 3.09Å; A419-Q422 WeakPolarHBondContact O-CB 3.33Å; A419-Q422 PolarHBondContact O-N 3.07Å; A419-Q422 VanDerWaalsContact O-N 3.08Å; I420-Q422 VanDerWaalsContact C-N 3.3Å; I420-Q422 PolarHBondContact O-N 2.94Å; Q422-A424 VanDerWaalsContact C-N 3.31Å; Q422-A424 PolarHBondContact O-N 3.01Å; Q422-K425 PolarHBondContact O-N 2.88Å; Q422-I426 PolarHBondContact O-N 3.5Å
423Q90.7Very high82.5Confident39 Ų3954.1 Ų54.118%0.18227%0.266CS..Hα-helixtrans-62.3-40.4176.3-68.1-57.5-21.700111.7L365 D402 C404 A419 I420 K425 I426 L427L365-Q423 HydrophobicContact CD1-CB 3.9Å; D402-Q423 HydrophobicContact CB-CG 4.17Å; C404-Q423 VanDerWaalsContact SG-CG 3.56Å; A419-Q423 PolarHBondContact O-N 2.82Å; I420-Q423 PolarHBondContact O-N 3.33Å; Q423-K425 VanDerWaalsContact C-N 3.32Å; Q423-K425 PolarHBondContact O-N 3.13Å; Q423-I426 PolarHBondContact O-N 2.95Å; Q423-I426 VanDerWaalsContact O-N 3.15Å; Q423-L427 WeakPolarHBondContact O-CG 3.14Å; Q423-L427 PolarHBondContact O-N 3.47Å
424A87Confident80.1Confident0 Ų061.4 Ų61.40%030%0.298CS..Hα-helixtrans-69.6-27.8179.700000113L365 L369 I420 Q422 I426 F428 I432L365-A424 HydrophobicContact CD1-CB 4.37Å; L369-A424 HydrophobicContact CD1-CB 3.77Å; I420-A424 WeakPolarHBondContact O-CB 3.43Å; I420-A424 PolarHBondContact O-N 3.28Å; Q422-A424 VanDerWaalsContact C-N 3.31Å; Q422-A424 PolarHBondContact O-N 3.01Å; A424-I426 VanDerWaalsContact C-N 3.32Å; A424-F428 HydrophobicContact CB-CD2 3.86Å; A424-F428 HydrophobicContact CB-CE2 4.13Å; A424-F428 WeakPolarHBondContact O-CB 3.24Å; A424-F428 VanDerWaalsContact O-CD2 3.31Å; A424-F428 WeakPolarHBondContact O-CD2 3.3Å; A424-F428 PolarHBondContact O-N 2.88Å; A424-F428 VanDerWaalsContact O-N 3.12Å; A424-I432 HydrophobicContact CB-CD1 4.21Å; A424-I432 HydrophobicContact CB-CG2 3.75Å
425K85.7Confident77.8Confident125 Ų12563.2 Ų63.254%0.54331%0.308SS..Hα-helixtrans-63.4-40.3170.2-80.4173.8-179.6-174.60111.8L421 Q422 Q423 G430 T433L421-K425 VanDerWaalsContact O-CG 3.3Å; L421-K425 WeakPolarHBondContact O-CG 3.49Å; L421-K425 PolarHBondContact O-N 2.77Å; Q422-K425 PolarHBondContact O-N 2.88Å; Q423-K425 VanDerWaalsContact C-N 3.32Å; Q423-K425 PolarHBondContact O-N 3.13Å; K425-G430 PolarHBondContact O-N 2.88Å; K425-T433 HydrophobicContact CD-CG2 4.38Å; K425-T433 HydrophobicContact CG-CG2 3.69Å
426I86.4Confident75.5Confident114 Ų11464.5 Ų64.559%0.58531%0.314SS*.Hα-helixtrans-70.9-49.3179.9-60.3166000110.2Q422 Q423 A424Q422-I426 PolarHBondContact O-N 3.5Å; Q423-I426 PolarHBondContact O-N 2.95Å; Q423-I426 VanDerWaalsContact O-N 3.15Å; A424-I426 VanDerWaalsContact C-N 3.32Å
427L84.6Confident72.9Confident28 Ų2865.5 Ų65.515%0.14733%0.33CS..Hα-helixtrans-81.9-19.5-169.5-66.7-174.3000115.4G296 Y361 R362 L365 Q423G296-L427 WeakPolarHBondContact CA-O 2.88Å; Y361-L427 HydrophobicContact CD1-CD1 3.53Å; Y361-L427 HydrophobicContact CE1-CD1 3.51Å; R362-L427 HydrophobicContact CG-CB 4.49Å; R362-L427 HydrophobicContact CG-CD1 4.32Å; L365-L427 HydrophobicContact CD1-CD1 4Å; Q423-L427 WeakPolarHBondContact O-CG 3.14Å; Q423-L427 PolarHBondContact O-N 3.47Å
428F81.3Confident70.2Confident1 Ų170.6 Ų70.60%0.00435%0.354CS..THydrogen-bonded Turntrans-110.114.4179-63.1-82.1000113.3V293 G296 A298 R362 L365 A424 G430 S431 I432V293-F428 HydrophobicContact CB-CE1 4.35Å; V293-F428 HydrophobicContact CG1-CE1 3.85Å; V293-F428 HydrophobicContact CG1-CZ 3.93Å; G296-F428 VanDerWaalsContact C-CD1 3.44Å; G296-F428 CarbonylContact O-C 3.59Å; G296-F428 WeakPolarHBondContact O-CA 3.24Å; G296-F428 WeakPolarHBondContact O-CD1 3.41Å; A298-F428 HydrophobicContact CB-CB 4.4Å; A298-F428 HydrophobicContact CB-CD1 3.91Å; A298-F428 HydrophobicContact CB-CE1 4.47Å; A298-F428 HydrophobicContact CB-CG 4.21Å; R362-F428 HydrophobicContact CB-CE1 4.32Å; R362-F428 HydrophobicContact CB-CZ 3.85Å; R362-F428 HydrophobicContact CG-CZ 4.19Å; L365-F428 HydrophobicContact CB-CE2 4.5Å; A424-F428 HydrophobicContact CB-CD2 3.86Å; A424-F428 HydrophobicContact CB-CE2 4.13Å; A424-F428 WeakPolarHBondContact O-CB 3.24Å; A424-F428 VanDerWaalsContact O-CD2 3.31Å; A424-F428 WeakPolarHBondContact O-CD2 3.3Å; A424-F428 PolarHBondContact O-N 2.88Å; A424-F428 VanDerWaalsContact O-N 3.12Å; F428-G430 PolarHBondContact O-N 3.27Å; F428-G430 VanDerWaalsContact O-N 3.12Å; F428-S431 WeakPolarHBondContact O-CB 3.38Å; F428-S431 PolarHBondContact O-N 3.04Å; F428-S431 PolarHBondContact O-OG 3.08Å; F428-I432 HydrophobicContact CB-CB 4.17Å; F428-I432 HydrophobicContact CB-CG2 4.49Å; F428-I432 HydrophobicContact CD2-CB 4.24Å; F428-I432 HydrophobicContact CD2-CD1 3.75Å; F428-I432 HydrophobicContact CD2-CG2 4.43Å; F428-I432 HydrophobicContact CE2-CD1 3.73Å; F428-I432 HydrophobicContact CG-CB 4.27Å; F428-I432 HydrophobicContact CG-CD1 4.27Å; F428-I432 HydrophobicContact CZ-CD1 4.24Å
429D68.4Low67.3Low151 Ų15162.9 Ų62.981%0.80733%0.331SS*.THydrogen-bonded Turntrans48.441.6-175.8-156.421000112.7S431D429-S431 PolarHBondContact O-N 3.13Å; D429-S431 VanDerWaalsContact O-N 3.12Å
430G60.4Low64.2Low26 Ų2667.3 Ų67.327%0.26836%0.359SS..THydrogen-bonded Turntrans74.5-11.2-175.500000116.9K425 F428 I432 T433K425-G430 PolarHBondContact O-N 2.88Å; F428-G430 PolarHBondContact O-N 3.27Å; F428-G430 VanDerWaalsContact O-N 3.12Å; G430-I432 PolarHBondContact O-N 2.87Å; G430-T433 PolarHBondContact O-N 3.09Å; G430-T433 VanDerWaalsContact O-N 3.1Å; G430-T433 PolarHBondContact O-OG1 3.38Å
431S57.7Low61.3Low17 Ų1771.4 Ų71.412%0.11937%0.374CS..Hα-helixtrans-51.8-35.7-175.8-61.30000113.9F428 D429 T433F428-S431 WeakPolarHBondContact O-CB 3.38Å; F428-S431 PolarHBondContact O-N 3.04Å; F428-S431 PolarHBondContact O-OG 3.08Å; D429-S431 PolarHBondContact O-N 3.13Å; D429-S431 VanDerWaalsContact O-N 3.12Å; S431-T433 VanDerWaalsContact C-N 3.34Å; S431-T433 PolarHBondContact O-N 2.91Å
432I55.5Low58.5Low2 Ų276.3 Ų76.31%0.0140%0.4CS..Hα-helixtrans-70.3-28.8-175-155.7150.9000113.6A298 Y366 L369 A424 F428 G430 K434 V435 L436A298-I432 VanDerWaalsContact CB-CA 3.48Å; A298-I432 HydrophobicContact CB-CB 3.59Å; A298-I432 HydrophobicContact CB-CD1 3.99Å; A298-I432 HydrophobicContact CB-CG1 3.71Å; Y366-I432 HydrophobicContact CD2-CD1 4Å; L369-I432 HydrophobicContact CD1-CD1 3.38Å; L369-I432 HydrophobicContact CD1-CG1 4Å; A424-I432 HydrophobicContact CB-CD1 4.21Å; A424-I432 HydrophobicContact CB-CG2 3.75Å; F428-I432 HydrophobicContact CB-CB 4.17Å; F428-I432 HydrophobicContact CB-CG2 4.49Å; F428-I432 HydrophobicContact CD2-CB 4.24Å; F428-I432 HydrophobicContact CD2-CD1 3.75Å; F428-I432 HydrophobicContact CD2-CG2 4.43Å; F428-I432 HydrophobicContact CE2-CD1 3.73Å; F428-I432 HydrophobicContact CG-CB 4.27Å; F428-I432 HydrophobicContact CG-CD1 4.27Å; F428-I432 HydrophobicContact CZ-CD1 4.24Å; G430-I432 PolarHBondContact O-N 2.87Å; I432-K434 VanDerWaalsContact C-N 3.28Å; I432-K434 PolarHBondContact O-N 3.4Å; I432-V435 PolarHBondContact O-N 3.38Å; I432-V435 VanDerWaalsContact O-N 3.12Å; I432-L436 HydrophobicContact CG1-CD1 4.47Å; I432-L436 PolarHBondContact O-N 3.15Å
433T48.7Very low55.7Low57 Ų5778.2 Ų78.235%0.3541%0.413SS..Hα-helixtrans-66.8-30.6-17457.60000112.3K425 G430 S431K425-T433 HydrophobicContact CD-CG2 4.38Å; K425-T433 HydrophobicContact CG-CG2 3.69Å; G430-T433 PolarHBondContact O-N 3.09Å; G430-T433 VanDerWaalsContact O-N 3.1Å; G430-T433 PolarHBondContact O-OG1 3.38Å; S431-T433 VanDerWaalsContact C-N 3.34Å; S431-T433 PolarHBondContact O-N 2.91Å
434K45.4Very low52.7Low153 Ų15382.8 Ų82.867%0.66544%0.439SS*.Hα-helixtrans-73.6-24.9175.2-71.2178.2-178.7168.30113.6I432 S437I432-K434 VanDerWaalsContact C-N 3.28Å; I432-K434 PolarHBondContact O-N 3.4Å; K434-S437 PolarHBondContact O-OG 3.21Å; K434-S437 VanDerWaalsContact O-OG 3.1Å
435V47Very low49.8Very low49 Ų4991.8 Ų91.830%0.29748%0.481SS..Hα-helixtrans-80-44.2-178.7-178.70000110.3A299 I432 S437 K438A299-V435 HydrophobicContact CB-CG2 3.72Å; I432-V435 PolarHBondContact O-N 3.38Å; I432-V435 VanDerWaalsContact O-N 3.12Å; V435-S437 VanDerWaalsContact C-N 3.32Å; V435-S437 PolarHBondContact O-N 3.45Å; V435-K438 PolarHBondContact O-N 3.21Å
436L47.6Very low47.1Very low28 Ų2891 Ų9115%0.14749%0.486CS..Hα-helixtrans-69.5-27.8-176.4-71.1170.8000113.5L369 L421 I432 K438 T439L369-L436 HydrophobicContact CB-CD1 4.11Å; L369-L436 HydrophobicContact CB-CD2 4.28Å; L369-L436 HydrophobicContact CD1-CD1 4.05Å; L369-L436 HydrophobicContact CD2-CD1 3.74Å; L369-L436 HydrophobicContact CG-CD1 4.16Å; L421-L436 HydrophobicContact CD2-CD1 3.68Å; I432-L436 HydrophobicContact CG1-CD1 4.47Å; I432-L436 PolarHBondContact O-N 3.15Å; L436-K438 PolarHBondContact O-N 3.32Å; L436-T439 WeakPolarHBondContact CA-OG1 3.35Å; L436-T439 PolarHBondContact O-N 2.92Å; L436-T439 VanDerWaalsContact O-O 3.12Å; L436-T439 PolarHBondContact O-OG1 3.42Å
437S41.5Very low44.2Very low94 Ų9490.3 Ų90.366%0.65748%0.484SS*.THydrogen-bonded Turntrans-65.1-18.7175.461.80000113.6K434 V435K434-S437 PolarHBondContact O-OG 3.21Å; K434-S437 VanDerWaalsContact O-OG 3.1Å; V435-S437 VanDerWaalsContact C-N 3.32Å; V435-S437 PolarHBondContact O-N 3.45Å
438K33.9Very low41.5Very low169 Ų16994 Ų9474%0.73551%0.509SS*.THydrogen-bonded Turntrans-87-11.1173.9-66.9-174.7-179.91770113.6V435 L436V435-K438 PolarHBondContact O-N 3.21Å; L436-K438 PolarHBondContact O-N 3.32Å
439T30.2Very low39.2Very low64 Ų64102.2 Ų102.239%0.39355%0.545SS..SBendtrans-88.1123.6168.80.40000107.6L436 R441L436-T439 WeakPolarHBondContact CA-OG1 3.35Å; L436-T439 PolarHBondContact O-N 2.92Å; L436-T439 VanDerWaalsContact O-O 3.12Å; L436-T439 PolarHBondContact O-OG1 3.42Å; T439-R441 PolarHBondContact O-N 3.41Å
440P25.6Very low37.3Very low112 Ų112102.3 Ų102.373%0.72755%0.545SS*.  trans-62.6104.917923.6-30.2000108.6
441R31.8Very low35.9Very low86 Ų86110.3 Ų110.333%0.32557%0.573SS.*  trans-118.1120.2165.3-80.4-169.3169.5167.42.6106.9L369 S371 T439 L443L369-R441 VanDerWaalsContact O-CZ 3.29Å; L369-R441 PolarHBondContact O-NH1 2.99Å; L369-R441 PolarHBondContact O-NH2 3.32Å; S371-R441 PolarHBondContact O-NH2 3.12Å; T439-R441 PolarHBondContact O-N 3.41Å; R441-L443 VanDerWaalsContact C-N 3.26Å; R441-L443 PolarHBondContact O-N 3.35Å
442L30Very low34.6Very low163 Ų163115 Ų11585%0.85360%0.601SS**  trans-46.997156.5-70.5156.2000107.1N444L442-N444 VanDerWaalsContact C-N 3.25Å; L442-N444 PolarHBondContact O-N 3.39Å
443L30Very low33.5Very low165 Ų165124.9 Ų124.986%0.86464%0.644SS**  trans-57.3106.4151.3-89.6155.3000103.4R441 E445R441-L443 VanDerWaalsContact C-N 3.26Å; R441-L443 PolarHBondContact O-N 3.35Å; L443-E445 VanDerWaalsContact C-N 3.29Å; L443-E445 PolarHBondContact O-N 3.02Å
444N29.1Very low32.8Very low134 Ų134128.4 Ų128.472%0.71767%0.665SS**  trans-51.898.4173.8-75.8-19.6000108L442 V446L442-N444 VanDerWaalsContact C-N 3.25Å; L442-N444 PolarHBondContact O-N 3.39Å; N444-V446 HydrophobicContact CB-CG2 3.78Å; N444-V446 PolarHBondContact O-N 2.93Å
445E26.3Very low32.2Very low190 Ų190129.9 Ų129.989%0.88870%0.695SS**  trans-61.985.7143.5-73.8-167.7168.100105.4L443 N447L443-E445 VanDerWaalsContact C-N 3.29Å; L443-E445 PolarHBondContact O-N 3.02Å; E445-N447 PolarHBondContact O-N 3.25Å
446V27.5Very low31.4Very low108 Ų108134 Ų13466%0.65572%0.715SS**  trans-64.493.3165.5178.80000104.7N444 P448N444-V446 HydrophobicContact CB-CG2 3.78Å; N444-V446 PolarHBondContact O-N 2.93Å; V446-P448 WeakPolarHBondContact O-CD 3.09Å; V446-P448 VanDerWaalsContact O-N 3.13Å
447N26.2Very low30.6Very low100 Ų100139.5 Ų139.554%0.53575%0.745SS.*  trans-63.8110.4175.4-168.5-17.9000107.6E445 K449E445-N447 PolarHBondContact O-N 3.25Å; N447-K449 PolarHBondContact O-N 3.43Å; N447-K449 PolarHBondContact OD1-N 2.98Å
448P28.6Very low29.9Very low104 Ų104142.1 Ų142.168%0.67575%0.749SS**G310 helixtrans-67.9-5-173.3-1630.6000113.2V446 L450V446-P448 WeakPolarHBondContact O-CD 3.09Å; V446-P448 VanDerWaalsContact O-N 3.13Å; P448-L450 VanDerWaalsContact C-N 3.28Å; P448-L450 PolarHBondContact O-N 3.34Å
449K31.5Very low29.7Very low174 Ų174140.5 Ų140.576%0.75775%0.75SS**G310 helixtrans-77.7-2-176.4-68.1-172.9175.2-178.10115.1N447 F451N447-K449 PolarHBondContact O-N 3.43Å; N447-K449 PolarHBondContact OD1-N 2.98Å; K449-F451 VanDerWaalsContact C-N 3.28Å; K449-F451 PolarHBondContact O-N 3.45Å
450L29Very low29.7Very low154 Ų154145.3 Ų145.381%0.80677%0.773SS**G310 helixtrans-80.7-1.6175.8-84.9159.6000114.5P448 T452P448-L450 VanDerWaalsContact C-N 3.28Å; P448-L450 PolarHBondContact O-N 3.34Å; L450-T452 VanDerWaalsContact C-N 3.34Å; L450-T452 PolarHBondContact O-N 3.34Å
451F31Very low30Very low194 Ų194147.5 Ų147.585%0.85178%0.776SS**  trans-93.664.8166.9-66.9-76.4000110.8K449 K453K449-F451 VanDerWaalsContact C-N 3.28Å; K449-F451 PolarHBondContact O-N 3.45Å; F451-K453 PolarHBondContact O-N 3.39Å
452T31.3Very low29.8Very low115 Ų115151.9 Ų151.971%0.70681%0.808SS**  trans-73.9106.8158.248.10000107.4L450 T454L450-T452 VanDerWaalsContact C-N 3.34Å; L450-T452 PolarHBondContact O-N 3.34Å; T452-T454 PolarHBondContact O-N 2.98Å
453K30.6Very low29.8Very low210 Ų210151 Ų15191%0.91380%0.804SS**  trans-52104.7167.9-73.4177.6174-179.20108.8F451 S455F451-K453 PolarHBondContact O-N 3.39Å; K453-S455 PolarHBondContact O-N 3.26Å
454T35.8Very low29.8Very low130 Ų130149.8 Ų149.880%0.79880%0.799SS**  trans-75.8111.115743.60000106.8T452T452-T454 PolarHBondContact O-N 2.98Å
455S30.8Very low29.9Very low185 Ų185151.3 Ų151.3100%1.29481%0.807SS**  trans9.10159590000118.1K453K453-S455 PolarHBondContact O-N 3.26Å

Retrieved 455 of 455 residues in 125.3 ms (Link to these results)

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