A0A3Q0KUW3_SCHMA Loading...

Smp_200060

AlphaFold DB , UniProt , Accession A0A3Q0KUW3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 309 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
1M60Low77.5Confident246 Ų246117.1 Ų117.1100%1.21262%0.623SS**  0119.80-73172.6173.500107.7
2T66.6Low77.4Confident145 Ų145115.8 Ų115.889%0.8962%0.616SS**PPolyproline II helixtrans-88.6118.6169.136.90000108.1
3I81Confident77.3Confident110 Ų110114.8 Ų114.856%0.56461%0.606SS**PPolyproline II helixtrans-69140.8166.353.5178.3000108.7Q7 A8I3-Q7 HydrophobicContact CB-CB 4.5Å; I3-A8 HydrophobicContact CD1-CB 3.96Å
4S82.6Confident77.6Confident65 Ų65113.6 Ų113.646%0.45559%0.594SS.*PPolyproline II helixtrans-67.5152.5169.9-178.10000110E6 Q7 A8S4-E6 PolarHBondContact O-N 3.28Å; S4-Q7 WeakPolarHBondContact O-CB 3.1Å; S4-Q7 PolarHBondContact O-N 3.26Å; S4-A8 PolarHBondContact O-N 2.85Å
5L81.8Confident77.2Confident150 Ų150111.1 Ų111.179%0.78557%0.574SS**Hα-helixtrans-55.5-39.8174.3-71.1172.5000111.3Q7 A8 L9L5-Q7 VanDerWaalsContact C-N 3.33Å; L5-Q7 PolarHBondContact O-N 3.31Å; L5-A8 WeakPolarHBondContact O-CB 3.22Å; L5-A8 PolarHBondContact O-N 3.49Å; L5-L9 PolarHBondContact O-N 3.49Å
6E84.2Confident76.9Confident129 Ų129110.8 Ų110.860%0.60357%0.569SS**Hα-helixtrans-55.6-45.1173.1-62.6-57.814800112.3S4 L9 I10S4-E6 PolarHBondContact O-N 3.28Å; E6-L9 PolarHBondContact O-N 3.06Å; E6-I10 WeakPolarHBondContact O-CD1 3.5Å; E6-I10 VanDerWaalsContact O-CG1 3.27Å; E6-I10 WeakPolarHBondContact O-CG1 3.18Å; E6-I10 PolarHBondContact O-N 3.37Å
7Q82.3Confident77.1Confident109 Ų109110.5 Ų110.551%0.50957%0.565SS.*Hα-helixtrans-68.6-37.3178.6-69.5-177.2-26.400111.8I3 S4 L5 L9 I11I3-Q7 HydrophobicContact CB-CB 4.5Å; S4-Q7 WeakPolarHBondContact O-CB 3.1Å; S4-Q7 PolarHBondContact O-N 3.26Å; L5-Q7 VanDerWaalsContact C-N 3.33Å; L5-Q7 PolarHBondContact O-N 3.31Å; Q7-L9 VanDerWaalsContact C-N 3.35Å; Q7-I11 WeakPolarHBondContact O-CB 3.14Å; Q7-I11 WeakPolarHBondContact O-CD1 3.4Å; Q7-I11 WeakPolarHBondContact O-CG1 2.94Å; Q7-I11 PolarHBondContact O-N 3.45Å
8A77.8Confident77Confident37 Ų37110.3 Ų110.331%0.30656%0.561SS.*Hα-helixtrans-64.1-40.8175.500000111.7I3 S4 L5 I11 L12I3-A8 HydrophobicContact CD1-CB 3.96Å; S4-A8 PolarHBondContact O-N 2.85Å; L5-A8 WeakPolarHBondContact O-CB 3.22Å; L5-A8 PolarHBondContact O-N 3.49Å; A8-I11 PolarHBondContact O-N 3.18Å; A8-L12 WeakPolarHBondContact O-CB 3.35Å; A8-L12 PolarHBondContact O-N 2.87Å
9L79Confident76.6Confident107 Ų107107.3 Ų107.356%0.5655%0.546SS*.Hα-helixtrans-67-46.2178.2-169.3142.2000111.6L5 E6 Q7 I11 L12 E13L5-L9 PolarHBondContact O-N 3.49Å; E6-L9 PolarHBondContact O-N 3.06Å; Q7-L9 VanDerWaalsContact C-N 3.35Å; L9-I11 VanDerWaalsContact C-N 3.33Å; L9-I11 PolarHBondContact O-N 2.73Å; L9-L12 PolarHBondContact O-N 3.1Å; L9-L12 VanDerWaalsContact O-N 3.15Å; L9-E13 PolarHBondContact O-N 2.93Å
10I81.4Confident76.4Confident105 Ų105107.2 Ų107.254%0.53855%0.545SS..Hα-helixtrans-59.3-42.6174.8-67.7164.1000111.4E6 L12 E13 H14E6-I10 WeakPolarHBondContact O-CD1 3.5Å; E6-I10 VanDerWaalsContact O-CG1 3.27Å; E6-I10 WeakPolarHBondContact O-CG1 3.18Å; E6-I10 PolarHBondContact O-N 3.37Å; I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 3.41Å; I10-E13 PolarHBondContact O-N 3.07Å; I10-H14 VanDerWaalsContact O-CB 3.23Å; I10-H14 WeakPolarHBondContact O-CB 3.49Å; I10-H14 PolarHBondContact O-N 3.44Å
11I76Confident76.3Confident85 Ų85104.5 Ų104.544%0.43654%0.54SS..Hα-helixtrans-63.7-40176.8-71.4165.8000111.2Q7 A8 L9 R15Q7-I11 WeakPolarHBondContact O-CB 3.14Å; Q7-I11 WeakPolarHBondContact O-CD1 3.4Å; Q7-I11 WeakPolarHBondContact O-CG1 2.94Å; Q7-I11 PolarHBondContact O-N 3.45Å; A8-I11 PolarHBondContact O-N 3.18Å; L9-I11 VanDerWaalsContact C-N 3.33Å; L9-I11 PolarHBondContact O-N 2.73Å; I11-R15 WeakPolarHBondContact O-CB 3.45Å; I11-R15 WeakPolarHBondContact O-CG 3.49Å; I11-R15 PolarHBondContact O-N 3.46Å; I11-R15 VanDerWaalsContact O-N 3.1Å
12L75.7Confident76.9Confident102 Ų10296 Ų9653%0.53450%0.496SS..Hα-helixtrans-67.3-48.2177.9-178.860.6000111.3A8 L9 I10 R15 Q16A8-L12 WeakPolarHBondContact O-CB 3.35Å; A8-L12 PolarHBondContact O-N 2.87Å; L9-L12 PolarHBondContact O-N 3.1Å; L9-L12 VanDerWaalsContact O-N 3.15Å; I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 3.41Å; L12-R15 WeakPolarHBondContact O-CB 3.48Å; L12-R15 PolarHBondContact O-N 3.06Å; L12-Q16 WeakPolarHBondContact O-CG 3.22Å; L12-Q16 PolarHBondContact O-N 3.47Å
13E76.6Confident77.1Confident103 Ų10390 Ų9048%0.48146%0.458SS..Hα-helixtrans-61-47.8178.8-166.3-167151.600111.4L9 I10 R15 Q16 Q17L9-E13 PolarHBondContact O-N 2.93Å; I10-E13 PolarHBondContact O-N 3.07Å; E13-R15 VanDerWaalsContact C-N 3.27Å; E13-R15 PolarHBondContact O-N 3.18Å; E13-Q16 WeakPolarHBondContact O-CA 3.33Å; E13-Q16 WeakPolarHBondContact O-CB 3.49Å; E13-Q16 PolarHBondContact O-N 2.99Å; E13-Q17 WeakPolarHBondContact O-CG 3.27Å; E13-Q17 PolarHBondContact O-N 3.16Å; E13-Q17 PolarHBondContact OE1-NE2 3.18Å
14H81.4Confident76.7Confident97 Ų9789.8 Ų89.845%0.44946%0.455SS..Hα-helixtrans-58.4-38.1175.7175.4-106.7000112.2I10 Q17 Q18I10-H14 VanDerWaalsContact O-CB 3.23Å; I10-H14 WeakPolarHBondContact O-CB 3.49Å; I10-H14 PolarHBondContact O-N 3.44Å; H14-Q17 PolarHBondContact O-N 3.16Å; H14-Q18 PolarHBondContact CE1-NE2 3.43Å; H14-Q18 PolarHBondContact NE2-NE2 3.48Å; H14-Q18 WeakPolarHBondContact O-CG 3.23Å; H14-Q18 PolarHBondContact O-N 3.03Å
15R71.7Confident76.4Confident77 Ų7792.2 Ų92.229%0.29146%0.459SS..Hα-helixtrans-66.7-38.4172.6-78.8-175.7-175.5-90.36.5112.9I11 L12 E13 Q18 M19 V277I11-R15 WeakPolarHBondContact O-CB 3.45Å; I11-R15 WeakPolarHBondContact O-CG 3.49Å; I11-R15 PolarHBondContact O-N 3.46Å; I11-R15 VanDerWaalsContact O-N 3.1Å; L12-R15 WeakPolarHBondContact O-CB 3.48Å; L12-R15 PolarHBondContact O-N 3.06Å; E13-R15 VanDerWaalsContact C-N 3.27Å; E13-R15 PolarHBondContact O-N 3.18Å; R15-Q18 PolarHBondContact O-N 3.18Å; R15-M19 WeakPolarHBondContact O-CB 3.46Å; R15-M19 PolarHBondContact O-N 3.43Å; R15-V277 VanDerWaalsContact NH2-CG1 3.3Å
16Q73.2Confident76Confident105 Ų10586.1 Ų86.149%0.49143%0.427SS..Hα-helixtrans-64.9-43.6175-67.5-63.1-21.900111.1L12 E13 M19 L20L12-Q16 WeakPolarHBondContact O-CG 3.22Å; L12-Q16 PolarHBondContact O-N 3.47Å; E13-Q16 WeakPolarHBondContact O-CA 3.33Å; E13-Q16 WeakPolarHBondContact O-CB 3.49Å; E13-Q16 PolarHBondContact O-N 2.99Å; Q16-M19 WeakPolarHBondContact O-CB 3.49Å; Q16-M19 PolarHBondContact O-N 2.79Å; Q16-L20 WeakPolarHBondContact O-CB 3.32Å; Q16-L20 PolarHBondContact O-N 3.45Å
17Q79.2Confident75.5Confident107 Ų10782 Ų8250%0.541%0.408SS..Hα-helixtrans-61.8-44.8175.1-68.2-179.57.100111.9E13 H14 M19 L20 A21E13-Q17 WeakPolarHBondContact O-CG 3.27Å; E13-Q17 PolarHBondContact O-N 3.16Å; E13-Q17 PolarHBondContact OE1-NE2 3.18Å; H14-Q17 PolarHBondContact O-N 3.16Å; Q17-M19 VanDerWaalsContact C-N 3.34Å; Q17-M19 PolarHBondContact O-N 2.76Å; Q17-L20 PolarHBondContact O-N 2.96Å; Q17-A21 WeakPolarHBondContact O-CB 3.44Å; Q17-A21 PolarHBondContact O-N 3.17Å
18Q75.6Confident75Confident107 Ų10783 Ų8350%0.541%0.413SS..Hα-helixtrans-61.3-41174.2-76-168.9-11.800112.6H14 R15 F22H14-Q18 PolarHBondContact CE1-NE2 3.43Å; H14-Q18 PolarHBondContact NE2-NE2 3.48Å; H14-Q18 WeakPolarHBondContact O-CG 3.23Å; H14-Q18 PolarHBondContact O-N 3.03Å; R15-Q18 PolarHBondContact O-N 3.18Å; Q18-F22 WeakPolarHBondContact O-CB 3.45Å; Q18-F22 PolarHBondContact O-N 2.88Å
19M70.4Confident74.8Confident53 Ų5383.6 Ų83.626%0.26141%0.413SS..Hα-helixtrans-63.5-43.9176.7-167.6-170.6-49.900111.3R15 Q16 Q17 F22 Q23 I241R15-M19 WeakPolarHBondContact O-CB 3.46Å; R15-M19 PolarHBondContact O-N 3.43Å; Q16-M19 WeakPolarHBondContact O-CB 3.49Å; Q16-M19 PolarHBondContact O-N 2.79Å; Q17-M19 VanDerWaalsContact C-N 3.34Å; Q17-M19 PolarHBondContact O-N 2.76Å; M19-F22 PolarHBondContact O-N 2.68Å; M19-Q23 VanDerWaalsContact O-CG 3.26Å; M19-Q23 WeakPolarHBondContact O-CG 3.46Å; M19-Q23 PolarHBondContact O-N 2.93Å; M19-I241 HydrophobicContact CG-CD1 4.4Å; M19-I241 HydrophobicContact SD-CD1 3.42Å; M19-I241 WeakPolarHBondContact SD-CD1 3.34Å
20L71.7Confident74.2Confident104 Ų10479.7 Ų79.755%0.54539%0.394SS..Hα-helixtrans-65-45177.6-175.665.4000112Q16 Q17 F22 Q23 Q24Q16-L20 WeakPolarHBondContact O-CB 3.32Å; Q16-L20 PolarHBondContact O-N 3.45Å; Q17-L20 PolarHBondContact O-N 2.96Å; L20-F22 VanDerWaalsContact C-N 3.34Å; L20-F22 PolarHBondContact O-N 3.1Å; L20-Q23 WeakPolarHBondContact O-CB 3.32Å; L20-Q23 PolarHBondContact O-N 3.35Å; L20-Q24 WeakPolarHBondContact O-CG 3.32Å; L20-Q24 PolarHBondContact O-N 3.19Å
21A74.7Confident73.7Confident52 Ų5276.9 Ų76.943%0.4338%0.38SS..Hα-helixtrans-61.7-41.1176.100000111.7Q17 Q24 Q25Q17-A21 WeakPolarHBondContact O-CB 3.44Å; Q17-A21 PolarHBondContact O-N 3.17Å; A21-Q24 PolarHBondContact O-N 3.37Å; A21-Q25 WeakPolarHBondContact O-CB 3.44Å; A21-Q25 PolarHBondContact O-N 3.34Å
22F72.7Confident73.4Confident66 Ų6676.8 Ų76.829%0.28938%0.38SS..Hα-helixtrans-65.4-39.2174.4-177.1-91.1000112.4Q18 M19 L20 L26 W263Q18-F22 WeakPolarHBondContact O-CB 3.45Å; Q18-F22 PolarHBondContact O-N 2.88Å; M19-F22 PolarHBondContact O-N 2.68Å; L20-F22 VanDerWaalsContact C-N 3.34Å; L20-F22 PolarHBondContact O-N 3.1Å; F22-L26 HydrophobicContact CE1-CD1 3.69Å; F22-L26 HydrophobicContact CZ-CD1 3.94Å; F22-L26 VanDerWaalsContact O-CB 3.24Å; F22-L26 WeakPolarHBondContact O-CB 3.28Å; F22-L26 PolarHBondContact O-N 2.82Å; F22-W263 AromaticContact CD1-CH2 3.66Å; F22-W263 HydrophobicContact CD1-CH2 3.66Å; F22-W263 AromaticContact CD1-CZ2 3.64Å; F22-W263 HydrophobicContact CD1-CZ2 3.64Å; F22-W263 AromaticContact CE1-CH2 3.3Å; F22-W263 HydrophobicContact CE1-CH2 3.3Å; F22-W263 AromaticContact CE1-CZ2 3.51Å; F22-W263 HydrophobicContact CE1-CZ2 3.51Å; F22-W263 HydrophobicContact CE1-CZ3 4.42Å; F22-W263 HydrophobicContact CG-CH2 4.42Å; F22-W263 AromaticContact CZ-CH2 3.8Å; F22-W263 HydrophobicContact CZ-CH2 3.8Å; F22-W263 HydrophobicContact CZ-CZ2 4.43Å
23Q69.6Low73Confident19 Ų1976.4 Ų76.49%0.08937%0.374CS..Hα-helixtrans-61.7-47173.9-72.8-74.8-22.300111.2M19 L20 L26 I27M19-Q23 VanDerWaalsContact O-CG 3.26Å; M19-Q23 WeakPolarHBondContact O-CG 3.46Å; M19-Q23 PolarHBondContact O-N 2.93Å; L20-Q23 WeakPolarHBondContact O-CB 3.32Å; L20-Q23 PolarHBondContact O-N 3.35Å; Q23-L26 PolarHBondContact O-N 2.96Å; Q23-I27 VanDerWaalsContact O-CG1 3.27Å; Q23-I27 WeakPolarHBondContact O-CG1 3.35Å; Q23-I27 PolarHBondContact O-N 3.02Å
24Q74.1Confident72.4Confident106 Ų10674.8 Ų74.850%0.49537%0.365SS..Hα-helixtrans-59.2-51.2175.8-71.3174.64.300111.3L20 A21 L26 I27 E28L20-Q24 WeakPolarHBondContact O-CG 3.32Å; L20-Q24 PolarHBondContact O-N 3.19Å; A21-Q24 PolarHBondContact O-N 3.37Å; Q24-L26 VanDerWaalsContact C-N 3.26Å; Q24-L26 PolarHBondContact O-N 2.82Å; Q24-I27 PolarHBondContact O-N 3.35Å; Q24-I27 VanDerWaalsContact O-N 3.15Å; Q24-E28 WeakPolarHBondContact O-CG 3.4Å; Q24-E28 PolarHBondContact O-N 3.29Å
25Q75.2Confident71.4Confident117 Ų11773.3 Ų73.355%0.54736%0.358SS..Hα-helixtrans-58.6-37.1177.4-171.6-17628.800112.5A21 T29A21-Q25 WeakPolarHBondContact O-CB 3.44Å; A21-Q25 PolarHBondContact O-N 3.34Å; Q25-T29 VanDerWaalsContact O-CB 3.26Å; Q25-T29 WeakPolarHBondContact O-CB 3.24Å; Q25-T29 PolarHBondContact O-N 2.99Å; Q25-T29 PolarHBondContact O-OG1 3.43Å
26L73.7Confident70.8Confident21 Ų2174.5 Ų74.511%0.1137%0.37CS..Hα-helixtrans-73.4-36.9178.9-166.6142.1000111.8F22 Q23 Q24 V30 L259 V261F22-L26 HydrophobicContact CE1-CD1 3.69Å; F22-L26 HydrophobicContact CZ-CD1 3.94Å; F22-L26 VanDerWaalsContact O-CB 3.24Å; F22-L26 WeakPolarHBondContact O-CB 3.28Å; F22-L26 PolarHBondContact O-N 2.82Å; Q23-L26 PolarHBondContact O-N 2.96Å; Q24-L26 VanDerWaalsContact C-N 3.26Å; Q24-L26 PolarHBondContact O-N 2.82Å; L26-V30 HydrophobicContact CD2-CG2 4.38Å; L26-V30 WeakPolarHBondContact O-CB 3.42Å; L26-V30 VanDerWaalsContact O-CG2 3.25Å; L26-V30 WeakPolarHBondContact O-CG2 3.43Å; L26-V30 PolarHBondContact O-N 3.21Å; L26-L259 HydrophobicContact CD2-CD1 3.97Å; L26-L259 HydrophobicContact CD2-CD2 3.62Å; L26-L259 HydrophobicContact CD2-CG 4.34Å; L26-V261 HydrophobicContact CD2-CG2 4.16Å
27I73.4Confident69.9Low42 Ų4274.8 Ų74.822%0.21538%0.375CS..Hα-helixtrans-61.4-55.7169.9-68.5164.8000109.2Q23 Q24 T29 V30 L31 F245 L259Q23-I27 VanDerWaalsContact O-CG1 3.27Å; Q23-I27 WeakPolarHBondContact O-CG1 3.35Å; Q23-I27 PolarHBondContact O-N 3.02Å; Q24-I27 PolarHBondContact O-N 3.35Å; Q24-I27 VanDerWaalsContact O-N 3.15Å; I27-T29 VanDerWaalsContact C-N 3.32Å; I27-T29 PolarHBondContact O-N 2.89Å; I27-V30 CarbonylContact O-C 3.57Å; I27-V30 WeakPolarHBondContact O-CA 3.27Å; I27-V30 WeakPolarHBondContact O-CB 3.43Å; I27-V30 PolarHBondContact O-N 2.85Å; I27-L31 HydrophobicContact CG2-CD1 3.88Å; I27-L31 HydrophobicContact CG2-CG 4.06Å; I27-L31 WeakPolarHBondContact O-CG 3.3Å; I27-L31 PolarHBondContact O-N 2.95Å; I27-F245 HydrophobicContact CG1-CD1 4.5Å; I27-F245 HydrophobicContact CG1-CE1 4.14Å; I27-F245 HydrophobicContact CG2-CE1 4.32Å; I27-L259 HydrophobicContact CG1-CD2 3.98Å
28E71.4Confident68.2Low130 Ų13071.9 Ų71.961%0.60737%0.373SS*.Hα-helixtrans-52.4-47.6177.1-72.4178.516800112.1Q24 V30 L31 D32Q24-E28 WeakPolarHBondContact O-CG 3.4Å; Q24-E28 PolarHBondContact O-N 3.29Å; E28-V30 VanDerWaalsContact C-N 3.25Å; E28-V30 PolarHBondContact O-N 3.01Å; E28-L31 PolarHBondContact O-N 2.94Å; E28-D32 WeakPolarHBondContact O-CB 3.13Å; E28-D32 PolarHBondContact O-N 2.98Å
29T73.6Confident66.5Low50 Ų5071.2 Ų71.231%0.30739%0.387SS..Hα-helixtrans-62.2-31177.5-59.40000112.9Q25 I27 K33Q25-T29 VanDerWaalsContact O-CB 3.26Å; Q25-T29 WeakPolarHBondContact O-CB 3.24Å; Q25-T29 PolarHBondContact O-N 2.99Å; Q25-T29 PolarHBondContact O-OG1 3.43Å; I27-T29 VanDerWaalsContact C-N 3.32Å; I27-T29 PolarHBondContact O-N 2.89Å; T29-K33 VanDerWaalsContact O-CG 3.3Å; T29-K33 WeakPolarHBondContact O-CG 3.25Å
30V66.9Low65.3Low26 Ų2677.5 Ų77.516%0.15841%0.412CS..Hα-helixtrans-76.1-48.1174.8164.40000110L26 I27 E28 K33 F34 L287L26-V30 HydrophobicContact CD2-CG2 4.38Å; L26-V30 WeakPolarHBondContact O-CB 3.42Å; L26-V30 VanDerWaalsContact O-CG2 3.25Å; L26-V30 WeakPolarHBondContact O-CG2 3.43Å; L26-V30 PolarHBondContact O-N 3.21Å; I27-V30 CarbonylContact O-C 3.57Å; I27-V30 WeakPolarHBondContact O-CA 3.27Å; I27-V30 WeakPolarHBondContact O-CB 3.43Å; I27-V30 PolarHBondContact O-N 2.85Å; E28-V30 VanDerWaalsContact C-N 3.25Å; E28-V30 PolarHBondContact O-N 3.01Å; V30-K33 PolarHBondContact O-N 2.96Å; V30-F34 HydrophobicContact CG1-CD2 3.85Å; V30-F34 HydrophobicContact CG1-CE2 4.11Å; V30-F34 WeakPolarHBondContact O-CD2 3.45Å; V30-F34 PolarHBondContact O-N 3.31Å; V30-L287 HydrophobicContact CG1-CD1 3.44Å; V30-L287 VanDerWaalsContact CG1-CD1 3.44Å
31L70.3Confident63.6Low46 Ų4680.5 Ų80.524%0.24143%0.426CS..Hα-helixtrans-61.9-47.5179.9-59.9-173.8000111.5I27 E28 K33 F34 F35 F245 I247I27-L31 HydrophobicContact CG2-CD1 3.88Å; I27-L31 HydrophobicContact CG2-CG 4.06Å; I27-L31 WeakPolarHBondContact O-CG 3.3Å; I27-L31 PolarHBondContact O-N 2.95Å; E28-L31 PolarHBondContact O-N 2.94Å; L31-K33 VanDerWaalsContact C-N 3.29Å; L31-K33 PolarHBondContact O-N 2.96Å; L31-F34 PolarHBondContact O-N 2.88Å; L31-F34 VanDerWaalsContact O-N 3.13Å; L31-F35 HydrophobicContact CB-CD2 4.22Å; L31-F35 HydrophobicContact CB-CE2 4.4Å; L31-F35 HydrophobicContact CD2-CE2 4.19Å; L31-F35 VanDerWaalsContact O-CD2 3.23Å; L31-F35 WeakPolarHBondContact O-CD2 3.44Å; L31-F35 PolarHBondContact O-N 3.09Å; L31-F245 HydrophobicContact CD2-CE2 3.78Å; L31-F245 HydrophobicContact CD2-CZ 4.16Å; L31-I247 HydrophobicContact CD1-CD1 3.62Å; L31-I247 HydrophobicContact CD2-CD1 3.34Å; L31-I247 HydrophobicContact CG-CD1 4.13Å
32D69.6Low61.6Low83 Ų8382.2 Ų82.244%0.44444%0.44SS..Hα-helixtrans-47.7-52173.1172.370.1000110.9E28 N36E28-D32 WeakPolarHBondContact O-CB 3.13Å; E28-D32 PolarHBondContact O-N 2.98Å; D32-N36 WeakPolarHBondContact O-CA 3.41Å; D32-N36 WeakPolarHBondContact O-CB 3.48Å; D32-N36 PolarHBondContact O-N 2.87Å; D32-N36 PolarHBondContact O-ND2 2.8Å; D32-N36 PolarHBondContact OD1-ND2 2.88Å
33K68.9Low59.8Low94 Ų9485.2 Ų85.241%0.40946%0.463SS..Hα-helixtrans-68.6-40.1179.5-68.8-179.3-177.9-142.10113.5T29 V30 L31 F35 D37T29-K33 VanDerWaalsContact O-CG 3.3Å; T29-K33 WeakPolarHBondContact O-CG 3.25Å; V30-K33 PolarHBondContact O-N 2.96Å; L31-K33 VanDerWaalsContact C-N 3.29Å; L31-K33 PolarHBondContact O-N 2.96Å; K33-F35 VanDerWaalsContact C-N 3.34Å; K33-F35 PolarHBondContact O-N 2.89Å; K33-D37 WeakPolarHBondContact O-CB 3.21Å; K33-D37 PolarHBondContact O-N 3.27Å
34F63.1Low58.3Low68 Ų6889.7 Ų89.730%0.29849%0.494SS..Hα-helixtrans-68.8-32.4-179.4-92.9-96.9000113V30 L31 L287 F296V30-F34 HydrophobicContact CG1-CD2 3.85Å; V30-F34 HydrophobicContact CG1-CE2 4.11Å; V30-F34 WeakPolarHBondContact O-CD2 3.45Å; V30-F34 PolarHBondContact O-N 3.31Å; L31-F34 PolarHBondContact O-N 2.88Å; L31-F34 VanDerWaalsContact O-N 3.13Å; F34-L287 HydrophobicContact CD2-CD1 4.37Å; F34-L287 HydrophobicContact CE1-CD2 4.23Å; F34-L287 HydrophobicContact CE2-CD1 3.66Å; F34-L287 HydrophobicContact CE2-CD2 4.39Å; F34-L287 HydrophobicContact CZ-CD1 3.89Å; F34-L287 HydrophobicContact CZ-CD2 3.74Å; F34-L287 HydrophobicContact CZ-CG 4.38Å; F34-F296 HydrophobicContact CE2-CE2 4.41Å; F34-F296 HydrophobicContact CE2-CZ 4.25Å; F34-F296 HydrophobicContact CZ-CZ 4.49Å
35F59.7Low56.3Low67 Ų6790.9 Ų90.929%0.29450%0.499SS..Hα-helixtrans-96.2-38.5-179-67.3-66.7000113.3L31 K33 G38 I247 Y249 L254L31-F35 HydrophobicContact CB-CD2 4.22Å; L31-F35 HydrophobicContact CB-CE2 4.4Å; L31-F35 HydrophobicContact CD2-CE2 4.19Å; L31-F35 VanDerWaalsContact O-CD2 3.23Å; L31-F35 WeakPolarHBondContact O-CD2 3.44Å; L31-F35 PolarHBondContact O-N 3.09Å; K33-F35 VanDerWaalsContact C-N 3.34Å; K33-F35 PolarHBondContact O-N 2.89Å; F35-G38 PolarHBondContact O-N 3.28Å; F35-I247 HydrophobicContact CZ-CG2 4.19Å; F35-Y249 HydrophobicContact CE1-CG 4.4Å; F35-L254 HydrophobicContact CE1-CD1 4.44Å; F35-L254 HydrophobicContact CZ-CD1 4.1Å
36N59.6Low54.2Low101 Ų10194.5 Ų94.554%0.5452%0.516SS..Hα-helixtrans-84-28.4-175.6-63-35.8000114.1D32 G38 A39D32-N36 WeakPolarHBondContact O-CA 3.41Å; D32-N36 WeakPolarHBondContact O-CB 3.48Å; D32-N36 PolarHBondContact O-N 2.87Å; D32-N36 PolarHBondContact O-ND2 2.8Å; D32-N36 PolarHBondContact OD1-ND2 2.88Å; N36-G38 PolarHBondContact O-N 2.77Å; N36-A39 PolarHBondContact O-N 3.47Å
37D54.8Low52.2Low112 Ų112102.2 Ų102.260%0.59954%0.544SS*.G310 helixtrans-68.1-16.5168.6-75.2-32.3000111.8K33 A39 K40K33-D37 WeakPolarHBondContact O-CB 3.21Å; K33-D37 PolarHBondContact O-N 3.27Å; D37-A39 PolarHBondContact O-N 3.3Å; D37-K40 PolarHBondContact O-N 3.22Å
38G43Very low50Low45 Ų45109.7 Ų109.746%0.46458%0.578SS.*G310 helixtrans-60.7-26.2172.700000113.9F35 N36 K40 M41F35-G38 PolarHBondContact O-N 3.28Å; N36-G38 PolarHBondContact O-N 2.77Å; G38-K40 PolarHBondContact O-N 3.03Å; G38-K40 VanDerWaalsContact O-N 3.16Å; G38-M41 PolarHBondContact O-N 2.92Å
39A41.2Very low48.1Very low94 Ų94109.4 Ų109.478%0.77759%0.585SS**G310 helixtrans-72.5-1.8178.600000114.3N36 D37N36-A39 PolarHBondContact O-N 3.47Å; D37-A39 PolarHBondContact O-N 3.3Å
40K43.7Very low46Very low185 Ų185116.4 Ų116.480%0.80461%0.614SS**G310 helixtrans-117.86.9177-74.2-178.6-179.8171.20114.7D37 G38 A42D37-K40 PolarHBondContact O-N 3.22Å; G38-K40 PolarHBondContact O-N 3.03Å; G38-K40 VanDerWaalsContact O-N 3.16Å; K40-A42 PolarHBondContact O-N 3.25Å
41M36.9Very low44.2Very low167 Ų167118.2 Ų118.282%0.82364%0.638SS**  trans-71.385165.4-74-78.5-86.500108.5G38 V43G38-M41 PolarHBondContact O-N 2.92Å; M41-V43 PolarHBondContact O-N 3.04Å
42A31.7Very low42.3Very low88 Ų88122 Ų12273%0.72767%0.668SS**  trans-50.7129.3168.900000108.7K40 P44K40-A42 PolarHBondContact O-N 3.25Å; A42-P44 WeakPolarHBondContact O-CD 3.42Å; A42-P44 VanDerWaalsContact O-N 3.15Å
43V34.9Very low40.5Very low129 Ų129124.8 Ų124.878%0.78268%0.682SS**  trans-49.2123173.1177.60000107.5M41 E45M41-V43 PolarHBondContact O-N 3.04Å; V43-E45 VanDerWaalsContact C-N 3.34Å; V43-E45 PolarHBondContact O-N 2.93Å
44P38.6Very low38.7Very low112 Ų112125.7 Ų125.773%0.72770%0.697SS**  trans-64.6103.7170.126.8-31.1000106.6A42 E46A42-P44 WeakPolarHBondContact O-CD 3.42Å; A42-P44 VanDerWaalsContact O-N 3.15Å; P44-E46 PolarHBondContact O-N 3.17Å
45E32.5Very low37.3Very low132 Ų132132 Ų13262%0.61773%0.725SS**  trans-55.3111.5174-173.4-174.6-140.200107.5V43 R47V43-E45 VanDerWaalsContact C-N 3.34Å; V43-E45 PolarHBondContact O-N 2.93Å; E45-R47 HydrophobicContact CG-CG 4.39Å; E45-R47 PolarHBondContact O-N 2.94Å; E45-R47 IonicContact OE1-NH2 2.78Å; E45-R47 IonicContact OE2-CZ 3.76Å; E45-R47 IonicContact OE2-NE 3.54Å; E45-R47 PolarHBondContact OE2-NE 3.33Å; E45-R47 IonicContact OE2-NH2 2.87Å; E45-R47 PolarHBondContact OE2-NH2 3.1Å
46E30.9Very low35.8Very low193 Ų193136 Ų13690%0.90275%0.748SS**  trans-65.681.7179.2-79.8-166.513900110.1P44 Q48P44-E46 PolarHBondContact O-N 3.17Å; E46-Q48 PolarHBondContact O-N 2.99Å
47R32.3Very low34.7Very low182 Ų182137 Ų13769%0.68776%0.762SS**  trans-77.2107.4164.4-60.4-161.4-179-135.5-3.5107.1E45 V49E45-R47 HydrophobicContact CG-CG 4.39Å; E45-R47 PolarHBondContact O-N 2.94Å; E45-R47 IonicContact OE1-NH2 2.78Å; E45-R47 IonicContact OE2-CZ 3.76Å; E45-R47 IonicContact OE2-NE 3.54Å; E45-R47 PolarHBondContact OE2-NE 3.33Å; E45-R47 IonicContact OE2-NH2 2.87Å; E45-R47 PolarHBondContact OE2-NH2 3.1Å; R47-V49 VanDerWaalsContact C-N 3.33Å; R47-V49 PolarHBondContact O-N 2.87Å
48Q25.8Very low33.7Very low199 Ų199138.6 Ų138.693%0.9377%0.771SS**  trans-56.598.4166.2-71-176.4-20.500108.7E46E46-Q48 PolarHBondContact O-N 2.99Å
49V32.1Very low33.3Very low125 Ų125139.9 Ų139.976%0.75879%0.785SS**  trans-94.699.2167.6176.70000106.6R47 G51R47-V49 VanDerWaalsContact C-N 3.33Å; R47-V49 PolarHBondContact O-N 2.87Å; V49-G51 PolarHBondContact O-N 2.78Å
50E29.9Very low33Very low197 Ų197144.3 Ų144.392%0.92179%0.786SS**  trans-64.5118.6177.9-169.6165.7-175.200110.1
51G27.6Very low32.5Very low63 Ų63141.8 Ų141.865%0.64979%0.79SS**  trans94.382173.200000116.2V49V49-G51 PolarHBondContact O-N 2.78Å
52S30.4Very low32.6Very low125 Ų125143.1 Ų143.187%0.87479%0.791SS**  trans-158.7133.3139.6-85.90000112.5
53I32.3Very low32.9Very low143 Ų143147.3 Ų147.373%0.73380%0.8SS**PPolyproline II helixtrans-55.6133.9-169.1-60.1157.8000113.3F55I53-F55 PolarHBondContact O-N 3.13Å
54P31.4Very low32.9Very low113 Ų113144.5 Ų144.573%0.73480%0.797SS**PPolyproline II helixtrans-75.8123170.630.6-32.7000111.2I56P54-I56 PolarHBondContact O-N 3.07Å
55F33.1Very low32.8Very low201 Ų201149.1 Ų149.188%0.88281%0.806SS**PPolyproline II helixtrans-80.1116.6169.2-76.8-88.6000110.4I53I53-F55 PolarHBondContact O-N 3.13Å
56I29.6Very low32.9Very low151 Ų151151.3 Ų151.377%0.77482%0.821SS**PPolyproline II helixtrans-80.7128.1169.7-59.2169.9000108.2P54P54-I56 PolarHBondContact O-N 3.07Å
57S36.7Very low33.1Very low121 Ų121147 Ų14785%0.84682%0.818SS**  trans-104111.1162.456.60000110.2
58D33.4Very low33.1Very low145 Ų145142.1 Ų142.178%0.77582%0.824SS**  trans-79.2129.1178.5-116.6-43000110.8
59G34Very low33.7Very low73 Ų73137.9 Ų137.975%0.75382%0.817SS**  trans-150.949.6-171.500000114.1C61G59-C61 PolarHBondContact O-N 2.91Å
60K35.3Very low33.7Very low187 Ų187140.6 Ų140.681%0.81382%0.821SS**  trans-47.5122-177.8-80.8166.7171.3152.40114.5
61C33.2Very low34.1Very low132 Ų132140 Ų14089%0.89282%0.819SS**  trans-114150.2143.8-158.80000110.1G59G59-C61 PolarHBondContact O-N 2.91Å
62K39Very low34.4Very low194 Ų194142.9 Ų142.984%0.84382%0.819SS**  trans-102.5124.2-152.6-57.8165.1-176.2171.20111.3
63I37.2Very low34.9Very low176 Ų176143.9 Ų143.990%0.90382%0.815SS**  trans-92.5112.7160-140.1151.3000108.2
64G35.8Very low35.1Very low71 Ų71144.8 Ų144.873%0.73282%0.819SS**  trans-78.6124.7-174.900000111.3
65K35.5Very low35.2Very low208 Ų208146.1 Ų146.190%0.90482%0.819SS**  trans-76.1119.1161-69.1-171.6176.3-172.20108.5
66L35.2Very low35.5Very low179 Ų179142.4 Ų142.494%0.93782%0.815SS**  trans-117.1140.4156.1-74.2176.5000108.1
67A36.3Very low35.9Very low101 Ų101142.1 Ų142.184%0.83582%0.816SS**  trans-103.8151.1-17100000111.3
68G30.4Very low35.8Very low80 Ų80140 Ų14083%0.82581%0.805SS**  trans75.798.4154.200000117.1
69S38.6Very low36Very low111 Ų111140.7 Ų140.778%0.77680%0.803SS**  trans-155.4118.9131.746.20000110.6
70E33.4Very low36.3Very low181 Ų181143.9 Ų143.985%0.84680%0.799SS**  trans-70117.2165.6-175.4176.2117.500107.9
71Q37.2Very low36.3Very low185 Ų185140.8 Ų140.886%0.86480%0.796SS**  trans-140.3104166.9-77.2-158.2-42.900110
72D34.9Very low36.6Very low124 Ų124140.4 Ų140.466%0.66379%0.789SS**  trans-67.8161.6167.5-67.5-53.9000112.2
73N39.5Very low36.5Very low145 Ų145137 Ų13778%0.77578%0.784SS**  trans75114.5160.3-39.3-64.9000117.1
74I36.7Very low36.4Very low162 Ų162133.6 Ų133.683%0.83177%0.772SS**  173.4102.793.5-78.5168.9000108.9
75L35.3Very low36.8Very low141 Ų141136.2 Ų136.274%0.73878%0.779SS**  trans33.4115.5137.3-161.671.7000121.1
76P39.2Very low37.1Very low123 Ų123132.9 Ų132.980%0.79977%0.771SS**PPolyproline II helixtrans-78.5135.8147.933-30000110.5
77N37.3Very low37.5Very low146 Ų146131.9 Ų131.978%0.78176%0.762SS**PPolyproline II helixtrans-80.5158-172.1-16313.9000113.7
78A34.7Very low38Very low75 Ų75135.1 Ų135.162%0.6276%0.759SS**PPolyproline II helixtrans-62.8163.9-176.200000114.2
79H37.5Very low38.4Very low160 Ų160140.4 Ų140.474%0.74176%0.762SS**  -165.5162.361.7-115.2-117.7000107.8
80E39.4Very low38.8Very low140 Ų140144.7 Ų144.765%0.65477%0.767SS**  cis-176.2132.4-3.8140178-127.500111.1
81T36.2Very low39.1Very low122 Ų122145.1 Ų145.175%0.74877%0.769SS**  trans53.2166.1152.270.80000120.4
82V39.4Very low39.2Very low124 Ų124139.8 Ų139.875%0.75276%0.764SS**  cis-162.4151.2-10.2119.80000105.6
83T37.7Very low39.5Very low122 Ų122139.5 Ų139.575%0.74877%0.772SS**  cis-141.8-177.814.4-12.80000110.4
84V35Very low39.9Very low106 Ų106136.7 Ų136.764%0.64277%0.769SS**  trans-124.9149.9162.8170.90000109.1
85S43.4Very low40.4Very low125 Ų125136 Ų13687%0.87477%0.767SS**  trans-152.9103.2147.7-74.30000110.1
86D41.7Very low41.1Very low138 Ų138136.4 Ų136.474%0.73877%0.769SS**  trans-69.6155.1162.3-69.7-63.2000110.4
87E44.6Very low41.2Very low159 Ų159135.5 Ų135.574%0.74376%0.764SS**  175.2144.599.7-98.8-164.1-156.900115.2
88Q46Very low41.4Very low169 Ų169137 Ų13779%0.7977%0.771SS**  trans73.4109.9153.2-71-177.157.900120.9
89E39.2Very low41.4Very low190 Ų190138.3 Ų138.389%0.88878%0.776SS**  trans-66.3151.9153.5-54.6-179.3129.900112
90K46.5Very low41.9Very low201 Ų201136.2 Ų136.287%0.87478%0.776SS**  trans-150.4144.7140.6-143.4172.5-176.3177.20113.4
91E39.1Very low41.7Very low190 Ų190138.3 Ų138.389%0.88879%0.786SS**  trans-64.3160.5-169.8-51.7170119.700115.5
92G38.9Very low42.1Very low74 Ų74137.2 Ų137.276%0.76378%0.783SS**  trans179.192.2163.100000116.8
93S42.5Very low42.2Very low118 Ų118137.3 Ų137.383%0.82578%0.78SS**  trans50.7100.7144.3-157.50000118.6
94A47.5Very low42.4Very low85 Ų85139.8 Ų139.870%0.70278%0.783SS**  69.2115.584.700000116
95D48.1Very low42.6Very low149 Ų149141.4 Ų141.480%0.79779%0.793SS**  -169.4111121.8-106.7-31.5000114.7
96N49.3Very low42.4Very low148 Ų148140.8 Ų140.879%0.79179%0.786SS**  trans38.2150.6149.6-70.9-59.5000126.1
97P40.6Very low42.3Very low105 Ų105142.6 Ų142.668%0.68279%0.794SS**  trans-108.9169.5-172.642.5-34.7000115.1
98L41.5Very low41.9Very low177 Ų177140.1 Ų140.193%0.92780%0.795SS**  trans-155.4139.8151.2-137.884.6000111.9
99S35.6Very low41.7Very low103 Ų103137.7 Ų137.772%0.7279%0.794SS**  trans-128.5-171.2172.2-34.30000108.1
100P47Very low41.8Very low116 Ų116133.8 Ų133.875%0.75379%0.785SS**  cis-129.1-155.6-3532.3-10.3000111.4
101E36.3Very low41.4Very low183 Ų183132.8 Ų132.886%0.85579%0.787SS**  trans94.6117143.9-157.1177.6151.900121.7
102S44.3Very low41.5Very low99 Ų99128.4 Ų128.469%0.69278%0.777SS**  trans176.997.7153.157.20000108.8
103N42.1Very low41.5Very low127 Ų127131.9 Ų131.968%0.67978%0.779SS**  52.4141.294.987.2-37.4000114.5
104E42.4Very low40.9Very low174 Ų174134 Ų13481%0.81378%0.781SS**  cis-148.3-17127.2-64.9-171.8142.200114.5
105T38Very low40.4Very low139 Ų139140 Ų14085%0.85379%0.791SS**  trans-104.9-168.6-156.9-6.50000114.5
106P39.8Very low39.5Very low112 Ų112140.3 Ų140.373%0.72779%0.792SS**  trans-116.7-177.1-140.743.3-26.9000115.4
107L38.7Very low38.4Very low176 Ų176139.8 Ų139.892%0.92179%0.794SS**  trans-173.8131.8150-101.8153.6000113.1
108S36.6Very low38Very low108 Ų108139.8 Ų139.876%0.75580%0.796SS**  trans-85.5-167.1168.6-33.10000110.4
109P42.4Very low37.4Very low117 Ų117140.2 Ų140.276%0.7679%0.794SS**  cis-142.7-13915.346-23000111.9
110P41.1Very low37.2Very low109 Ų109142.5 Ų142.571%0.70879%0.793SS**  cis-119.5175.8-38.938.4-24.1000112.9
111I36.8Very low36.3Very low180 Ų180144.3 Ų144.392%0.92380%0.796SS**  trans-140.2141.5158.425.5173.3000110
112S41.7Very low35.9Very low97 Ų97145 Ų14568%0.67879%0.793SS**  trans-130.6158.8-168690000113.9
113D39.1Very low35.1Very low147 Ų147144.7 Ų144.779%0.78679%0.79SS**  trans72.9102.4152-47.4-38000121.3
114D31Very low34.4Very low162 Ų162147 Ų14787%0.86680%0.801SS**  trans-9.7125.1147.2-60-31.1000119.3
115K37Very low33.8Very low213 Ų213147.8 Ų147.893%0.92680%0.797SS**  -160.2155129.7-130.4169.7180175.10114.9
116L28.4Very low33.4Very low155 Ų155148.8 Ų148.881%0.81280%0.797SS**  trans-73.8167.9-170.5-63.1161.4000115.2
117T26Very low33.2Very low136 Ų136151.5 Ų151.583%0.83480%0.804SS**  trans91.3104.8155.666.70000120.1
118S33.1Very low32.9Very low105 Ų105146.5 Ų146.573%0.73480%0.795SS**  trans-178.4107.5134.528.40000106.8
119E27.6Very low32.7Very low186 Ų186150.2 Ų150.287%0.86980%0.8SS**  46.58885.3-68-164.2138.500113.2
120Q33Very low32.2Very low152 Ų152153.4 Ų153.471%0.7181%0.805SS**  trans-122.598.5157.9-71.2-154.2-33.200110.5Y122Q120-Y122 HydrophobicContact CB-CD2 4.32Å; Q120-Y122 HydrophobicContact CB-CE2 3.85Å; Q120-Y122 PolarHBondContact O-N 3.38Å; Q120-Y122 PolarHBondContact OE1-OH 3.5Å
121N26.5Very low32Very low153 Ų153155 Ų15582%0.81881%0.807SS**  trans-59.6110.1162.8-80.8-74000109.6S123N121-S123 PolarHBondContact O-N 2.89Å
122Y28.7Very low31.9Very low199 Ų199154.2 Ų154.278%0.7879%0.793SS**  trans-90.896164.9-80-86000109.4Q120 L124Q120-Y122 HydrophobicContact CB-CD2 4.32Å; Q120-Y122 HydrophobicContact CB-CE2 3.85Å; Q120-Y122 PolarHBondContact O-N 3.38Å; Q120-Y122 PolarHBondContact OE1-OH 3.5Å; Y122-L124 PolarHBondContact O-N 3.28Å
123S26.6Very low31.8Very low91 Ų91157.2 Ų157.264%0.63679%0.794SS**  trans-64.5112.8170.7-81.70000110N121 R125N121-S123 PolarHBondContact O-N 2.89Å; S123-R125 PolarHBondContact O-N 3.27Å; S123-R125 VanDerWaalsContact O-N 3.1Å
124L27.4Very low32Very low175 Ų175157.1 Ų157.192%0.91679%0.793SS**  trans-75.695.5169.4-165.1150000108.3Y122Y122-L124 PolarHBondContact O-N 3.28Å
125R30Very low32.6Very low192 Ų192152.7 Ų152.773%0.72578%0.779SS**  trans-129.7137.3172.3-64.2-172.9-170.7-88.8-0.3109.5S123S123-R125 PolarHBondContact O-N 3.27Å; S123-R125 VanDerWaalsContact O-N 3.1Å
126D30.5Very low33Very low159 Ų159146 Ų14685%0.8576%0.758SS**  trans6069.3160.4-46.9-26.9000117.1
127I34.8Very low33.7Very low169 Ų169143.6 Ų143.687%0.86775%0.752SS**  trans-107.9127.1155.8-62.5179000108.2
128G32.2Very low34.7Very low71 Ų71145.1 Ų145.173%0.73275%0.75SS**  trans-61.7145.1-160.700000117.1E130G128-E130 PolarHBondContact O-N 3.39Å
129Q33.8Very low35.4Very low187 Ų187147 Ų14787%0.87475%0.751SS**SBendtrans-72.810.6-168.9-165.4175.7-32.300115.9
130E31.3Very low36.4Very low183 Ų183141.9 Ų141.986%0.85573%0.73SS**SBendtrans-1131.7-149.6-144.4173.5-17900118G128G128-E130 PolarHBondContact O-N 3.39Å
131N36.4Very low37Very low142 Ų142138.5 Ų138.576%0.75971%0.711SS**SBendtrans-138.819.4-173.7-124.2-14.2000117.7
132W34.7Very low37.9Very low165 Ų165135.4 Ų135.463%0.62569%0.694SS**  trans-81.9-26.1-170.864.9-86.8000115.9N134 A135W132-N134 PolarHBondContact O-N 3.27Å; W132-N134 VanDerWaalsContact O-N 3.1Å; W132-A135 PolarHBondContact O-N 3.16Å
133K40.2Very low38.8Very low160 Ų160130.1 Ų130.170%0.69668%0.68SS**THydrogen-bonded Turntrans-65.9-16.3-168-72.4-172.8174-1780116.2
134N44.1Very low39.8Very low144 Ų144127.1 Ų127.177%0.7766%0.658SS**THydrogen-bonded Turntrans-103.3-10.1-173-63.1-17.7000114W132W132-N134 PolarHBondContact O-N 3.27Å; W132-N134 VanDerWaalsContact O-N 3.1Å
135A43.3Very low40.7Very low70 Ų70119.5 Ų119.558%0.57962%0.618SS**SBendtrans-86.8-15.4-173.200000114.3W132W132-A135 PolarHBondContact O-N 3.16Å
136C43.6Very low41.6Very low71 Ų71113.3 Ų113.348%0.4860%0.6SS.*SBendtrans-143.8109.2177.7-87.60000110.5E138C136-E138 PolarHBondContact O-N 3Å; C136-E138 VanDerWaalsContact O-N 3.1Å
137P44.4Very low42.6Very low105 Ų105111.8 Ų111.868%0.68259%0.588SS**  trans-68.6108.3170.327.3-32000109.6N139P137-N139 PolarHBondContact O-N 3Å
138E47.2Very low43.2Very low168 Ų168105 Ų10579%0.78555%0.553SS**THydrogen-bonded Turntrans-67.71.5-168.6-156.3164.7-163.300114.6C136C136-E138 PolarHBondContact O-N 3Å; C136-E138 VanDerWaalsContact O-N 3.1Å
139N46.7Very low43.8Very low144 Ų144103.1 Ų103.177%0.7753%0.527SS*.THydrogen-bonded Turntrans-107.53.9-164.862.67.6000116.1P137P137-N139 PolarHBondContact O-N 3Å
140N50Low44.3Very low80 Ų8097.8 Ų97.843%0.42851%0.509SS..SBendtrans-110.714.1178.2-167.413.4000113.8T144N140-T144 PolarHBondContact O-N 3.38Å; N140-T144 PolarHBondContact O-OG1 3.32Å
141W44.3Very low44.7Very low80 Ų8092.6 Ų92.630%0.30349%0.486SS..Hα-helixtrans-64.3-57.6179.1-178.6-116.4000111.6N143 T144 V145 G244 I258W141-N143 PolarHBondContact O-N 3.2Å; W141-T144 PolarHBondContact O-N 3.09Å; W141-V145 HydrophobicContact CD2-CG2 3.81Å; W141-V145 VanDerWaalsContact CE2-CG2 3.44Å; W141-V145 HydrophobicContact CE3-CG2 4.12Å; W141-V145 HydrophobicContact CG-CG2 4.46Å; W141-V145 HydrophobicContact CH2-CG2 3.71Å; W141-V145 HydrophobicContact CZ2-CG2 3.4Å; W141-V145 HydrophobicContact CZ3-CG2 4.07Å; W141-V145 WeakPolarHBondContact O-CG2 3.26Å; W141-V145 PolarHBondContact O-N 3.24Å; W141-G244 VanDerWaalsContact CZ3-CA 3.43Å; W141-I258 HydrophobicContact CH2-CG2 4.17Å; W141-I258 HydrophobicContact CZ3-CG1 4.31Å
142N45.8Very low45Very low88 Ų8886.8 Ų86.847%0.47146%0.456SS..Hα-helixtrans-59.7-45.8-173.8-66.31.2000112.1T144 V145 N146N142-T144 PolarHBondContact O-N 3.21Å; N142-V145 PolarHBondContact O-N 3.09Å; N142-N146 WeakPolarHBondContact O-CB 3.43Å; N142-N146 PolarHBondContact O-N 3.39Å; N142-N146 PolarHBondContact O-ND2 2.99Å; N142-N146 PolarHBondContact O-OD1 2.86Å
143N48.3Very low45.2Very low88 Ų8884 Ų8447%0.47145%0.452SS..Hα-helixtrans-60.9-45.1177.5-177.44.5000112.3W141 V145 N146 Q147W141-N143 PolarHBondContact O-N 3.2Å; N143-V145 PolarHBondContact O-N 2.87Å; N143-N146 PolarHBondContact O-N 3.26Å; N143-Q147 PolarHBondContact O-N 2.83Å; N143-Q147 VanDerWaalsContact O-N 3.16Å; N143-Q147 PolarHBondContact OD1-NE2 3.39Å
144T46.8Very low45.3Very low29 Ų2983.2 Ų83.218%0.17845%0.445CS..Hα-helixtrans-60.8-47.7177.4-54.60000111.3N140 W141 N142 Q147 I148 K256 I258N140-T144 PolarHBondContact O-N 3.38Å; N140-T144 PolarHBondContact O-OG1 3.32Å; W141-T144 PolarHBondContact O-N 3.09Å; N142-T144 PolarHBondContact O-N 3.21Å; T144-Q147 PolarHBondContact O-N 2.87Å; T144-I148 HydrophobicContact CG2-CD1 3.92Å; T144-I148 WeakPolarHBondContact O-CG1 3.47Å; T144-I148 PolarHBondContact O-N 3.34Å; T144-K256 PolarHBondContact OG1-NZ 3.26Å; T144-I258 HydrophobicContact CG2-CD1 3.86Å
145V46.5Very low45.1Very low15 Ų1580.1 Ų80.19%0.09143%0.429CS..Hα-helixtrans-64.8-45.5179.8174.20000110.9W141 N142 N143 Q147 I148 V149 F240W141-V145 HydrophobicContact CD2-CG2 3.81Å; W141-V145 VanDerWaalsContact CE2-CG2 3.44Å; W141-V145 HydrophobicContact CE3-CG2 4.12Å; W141-V145 HydrophobicContact CG-CG2 4.46Å; W141-V145 HydrophobicContact CH2-CG2 3.71Å; W141-V145 HydrophobicContact CZ2-CG2 3.4Å; W141-V145 HydrophobicContact CZ3-CG2 4.07Å; W141-V145 WeakPolarHBondContact O-CG2 3.26Å; W141-V145 PolarHBondContact O-N 3.24Å; N142-V145 PolarHBondContact O-N 3.09Å; N143-V145 PolarHBondContact O-N 2.87Å; V145-Q147 PolarHBondContact O-N 3.22Å; V145-I148 PolarHBondContact O-N 3.13Å; V145-V149 HydrophobicContact CG1-CG2 3.79Å; V145-V149 WeakPolarHBondContact O-CG2 3.45Å; V145-V149 PolarHBondContact O-N 2.85Å; V145-F240 HydrophobicContact CG1-CE1 3.84Å
146N49.4Very low44.9Very low61 Ų6179.4 Ų79.433%0.32641%0.413SS..Hα-helixtrans-63.2-22.8-178.7-67.8-12.4000113.5N142 N143 P150 N213N142-N146 WeakPolarHBondContact O-CB 3.43Å; N142-N146 PolarHBondContact O-N 3.39Å; N142-N146 PolarHBondContact O-ND2 2.99Å; N142-N146 PolarHBondContact O-OD1 2.86Å; N143-N146 PolarHBondContact O-N 3.26Å; N146-P150 WeakPolarHBondContact O-CD 3.24Å; N146-P150 WeakPolarHBondContact O-CG 3.42Å; N146-N213 PolarHBondContact ND2-ND2 3.1Å; N146-N213 PolarHBondContact OD1-ND2 3.46Å
147Q50.3Low44.5Very low128 Ų12879 Ų7960%0.59842%0.421SS*.Hα-helixtrans-87.7-22.3171.3-69.5-166.157.200113.9N143 T144 V145 N151N143-Q147 PolarHBondContact O-N 2.83Å; N143-Q147 VanDerWaalsContact O-N 3.16Å; N143-Q147 PolarHBondContact OD1-NE2 3.39Å; T144-Q147 PolarHBondContact O-N 2.87Å; V145-Q147 PolarHBondContact O-N 3.22Å; Q147-N151 PolarHBondContact O-ND2 3.27Å; Q147-N151 VanDerWaalsContact O-ND2 3.17Å
148I48.9Very low44.1Very low26 Ų2680.6 Ų80.613%0.13342%0.42CS..Hα-helixtrans-82.1-40.2175.5-64.7166.8000110.6T144 V145 N151 V152 I258 I260T144-I148 HydrophobicContact CG2-CD1 3.92Å; T144-I148 WeakPolarHBondContact O-CG1 3.47Å; T144-I148 PolarHBondContact O-N 3.34Å; V145-I148 PolarHBondContact O-N 3.13Å; I148-N151 WeakPolarHBondContact O-CB 3.26Å; I148-N151 PolarHBondContact O-N 2.74Å; I148-N151 VanDerWaalsContact O-N 3.09Å; I148-V152 HydrophobicContact CG2-CG2 3.71Å; I148-V152 WeakPolarHBondContact O-CG2 3.19Å; I148-V152 PolarHBondContact O-N 3.16Å; I148-I258 HydrophobicContact CD1-CD1 3.62Å; I148-I260 HydrophobicContact CG2-CD1 3.66Å
149V44.8Very low43.4Very low31 Ų3177.5 Ų77.519%0.18841%0.412CS..Hα-helixtrans-52.4-54.8-177.1164.10000112.8V145 N151 V152 I153 F240V145-V149 HydrophobicContact CG1-CG2 3.79Å; V145-V149 WeakPolarHBondContact O-CG2 3.45Å; V145-V149 PolarHBondContact O-N 2.85Å; V149-N151 VanDerWaalsContact C-N 3.28Å; V149-N151 PolarHBondContact O-N 3.29Å; V149-V152 PolarHBondContact O-N 2.82Å; V149-I153 HydrophobicContact CG1-CD1 3.62Å; V149-I153 WeakPolarHBondContact O-CB 3.42Å; V149-I153 VanDerWaalsContact O-CG1 3.27Å; V149-I153 WeakPolarHBondContact O-CG1 3.34Å; V149-I153 PolarHBondContact O-N 2.95Å; V149-F240 HydrophobicContact CG2-CD1 3.86Å; V149-F240 HydrophobicContact CG2-CD2 4.43Å; V149-F240 HydrophobicContact CG2-CE1 3.39Å; V149-F240 HydrophobicContact CG2-CE2 4.01Å; V149-F240 HydrophobicContact CG2-CG 4.35Å; V149-F240 HydrophobicContact CG2-CZ 3.47Å; V149-F240 VanDerWaalsContact CG2-CZ 3.47Å
150P43.6Very low42.6Very low76 Ų7676.3 Ų76.349%0.49440%0.402SS..Hα-helixtrans-62.9-34.6178.3-21.532.7000112.7N146 R154N146-P150 WeakPolarHBondContact O-CD 3.24Å; N146-P150 WeakPolarHBondContact O-CG 3.42Å; P150-R154 WeakPolarHBondContact O-CB 3.49Å; P150-R154 PolarHBondContact O-N 3.03Å
151N39.9Very low41.5Very low73 Ų7379.5 Ų79.539%0.3942%0.424SS..Hα-helixtrans-68.1-42.4177.9-91.1-52.3000112.1Q147 I148 V149 R154 N155Q147-N151 PolarHBondContact O-ND2 3.27Å; Q147-N151 VanDerWaalsContact O-ND2 3.17Å; I148-N151 WeakPolarHBondContact O-CB 3.26Å; I148-N151 PolarHBondContact O-N 2.74Å; I148-N151 VanDerWaalsContact O-N 3.09Å; V149-N151 VanDerWaalsContact C-N 3.28Å; V149-N151 PolarHBondContact O-N 3.29Å; N151-R154 PolarHBondContact OD1-NH2 2.79Å; N151-N155 WeakPolarHBondContact O-CB 3.42Å; N151-N155 PolarHBondContact O-N 3.3Å; N151-N155 PolarHBondContact O-ND2 2.82Å
152V42.8Very low40.8Very low20 Ų2083.9 Ų83.912%0.12144%0.442CS..Hα-helixtrans-68.1-42.7176.7174.90000110.6I148 V149 N155 H156 I260 F286I148-V152 HydrophobicContact CG2-CG2 3.71Å; I148-V152 WeakPolarHBondContact O-CG2 3.19Å; I148-V152 PolarHBondContact O-N 3.16Å; V149-V152 PolarHBondContact O-N 2.82Å; V152-N155 PolarHBondContact O-N 2.81Å; V152-H156 PolarHBondContact O-N 3.24Å; V152-H156 VanDerWaalsContact O-N 3.09Å; V152-I260 HydrophobicContact CG2-CD1 4.46Å; V152-F286 HydrophobicContact CG1-CD2 4.37Å; V152-F286 HydrophobicContact CG1-CE1 4.31Å; V152-F286 HydrophobicContact CG1-CE2 3.99Å; V152-F286 HydrophobicContact CG1-CZ 3.96Å
153I38.4Very low40Very low106 Ų10686.6 Ų86.654%0.54446%0.456SS..Hα-helixtrans-60.5-48.7175.9-67.6167.1000110.7V149 N155 H156 G157V149-I153 HydrophobicContact CG1-CD1 3.62Å; V149-I153 WeakPolarHBondContact O-CB 3.42Å; V149-I153 VanDerWaalsContact O-CG1 3.27Å; V149-I153 WeakPolarHBondContact O-CG1 3.34Å; V149-I153 PolarHBondContact O-N 2.95Å; I153-N155 PolarHBondContact O-N 2.99Å; I153-H156 PolarHBondContact O-N 3.42Å; I153-H156 VanDerWaalsContact O-N 3.09Å; I153-G157 PolarHBondContact O-N 2.94Å
154R41.2Very low39.3Very low145 Ų14590.6 Ų90.655%0.54747%0.474SS..Hα-helixtrans-58.5-47.2176.8178.7170.759.3170.8-0.6112.4P150 N151 H156 G157 E158P150-R154 WeakPolarHBondContact O-CB 3.49Å; P150-R154 PolarHBondContact O-N 3.03Å; N151-R154 PolarHBondContact OD1-NH2 2.79Å; R154-H156 PolarHBondContact O-N 3.29Å; R154-G157 PolarHBondContact O-N 3.45Å; R154-E158 WeakPolarHBondContact CG-OE1 3.39Å; R154-E158 WeakPolarHBondContact O-CG 3.38Å; R154-E158 PolarHBondContact O-N 2.73Å
155N40.3Very low38.6Very low79 Ų7992 Ų9242%0.42250%0.495SS..Hα-helixtrans-65.1-19177.5-82.1-93000113.5N151 V152 I153 K308N151-N155 WeakPolarHBondContact O-CB 3.42Å; N151-N155 PolarHBondContact O-N 3.3Å; N151-N155 PolarHBondContact O-ND2 2.82Å; V152-N155 PolarHBondContact O-N 2.81Å; I153-N155 PolarHBondContact O-N 2.99Å; N155-K308 PolarHBondContact OD1-NZ 3.01Å
156H39.4Very low38Very low54 Ų5496.2 Ų96.225%0.2553%0.525CS..Hα-helixtrans-91.8-36174.8-153.4-65.6000112.1V152 I153 R154 E158 T159 R264 D284V152-H156 PolarHBondContact O-N 3.24Å; V152-H156 VanDerWaalsContact O-N 3.09Å; I153-H156 PolarHBondContact O-N 3.42Å; I153-H156 VanDerWaalsContact O-N 3.09Å; R154-H156 PolarHBondContact O-N 3.29Å; H156-E158 VanDerWaalsContact C-N 3.29Å; H156-E158 PolarHBondContact O-N 3.37Å; H156-T159 PolarHBondContact O-N 3.14Å; H156-R264 VanDerWaalsContact CE1-CZ 3.48Å; H156-R264 PolarHBondContact CE1-NH2 3.4Å; H156-R264 PolarHBondContact ND1-NH2 3.04Å; H156-D284 IonicContact CD2-OD2 2.76Å; H156-D284 IonicContact NE2-OD2 2.04Å; H156-D284 PolarHBondContact NE2-OD2 2.64Å
157G35.9Very low37.3Very low64 Ų64103.6 Ų103.666%0.6655%0.548SS*.Hα-helixtrans-68.2-23.3178.200000114.6I153 R154 T159I153-G157 PolarHBondContact O-N 2.94Å; R154-G157 PolarHBondContact O-N 3.45Å; G157-T159 PolarHBondContact O-N 2.74Å
158E34.8Very low36.6Very low138 Ų138104.2 Ų104.265%0.64556%0.556SS**THydrogen-bonded Turntrans-82.59.4178.4-70.2171.1-165.900113.6R154 H156R154-E158 WeakPolarHBondContact CG-OE1 3.39Å; R154-E158 WeakPolarHBondContact O-CG 3.38Å; R154-E158 PolarHBondContact O-N 2.73Å; H156-E158 VanDerWaalsContact C-N 3.29Å; H156-E158 PolarHBondContact O-N 3.37Å
159T32.6Very low36Very low102 Ų102109.1 Ų109.163%0.62658%0.582SS**SBendtrans-142.866.5179.8-52.80000112.6H156 G157H156-T159 PolarHBondContact O-N 3.14Å; G157-T159 PolarHBondContact O-N 2.74Å
160E30.9Very low35.6Very low119 Ų119112.2 Ų112.256%0.55660%0.603SS**  trans-178.171.4148.3-101.7162.1-152.100110.6Y162E160-Y162 HydrophobicContact CB-CD2 4.07Å; E160-Y162 HydrophobicContact CB-CE2 4.06Å; E160-Y162 HydrophobicContact CG-CD2 4.18Å; E160-Y162 HydrophobicContact CG-CE2 3.67Å; E160-Y162 PolarHBondContact O-N 2.87Å
161V27.1Very low35.7Very low147 Ų147117.5 Ų117.589%0.89162%0.62SS**  trans-73.483.8166.8-178.50000108.7N163V161-N163 PolarHBondContact O-N 2.78Å; V161-N163 VanDerWaalsContact O-N 3.13Å
162Y29.2Very low35.5Very low172 Ų172121.1 Ų121.168%0.67564%0.64SS**  trans-71.7103.4166.9-84.4-77.2000109.5E160 M164E160-Y162 HydrophobicContact CB-CD2 4.07Å; E160-Y162 HydrophobicContact CB-CE2 4.06Å; E160-Y162 HydrophobicContact CG-CD2 4.18Å; E160-Y162 HydrophobicContact CG-CE2 3.67Å; E160-Y162 PolarHBondContact O-N 2.87Å; Y162-M164 PolarHBondContact O-N 2.04Å
163N29.5Very low35.3Very low146 Ų146124 Ų12478%0.78166%0.661SS**  trans-64.676.8168.2-179.822.7000110.4V161 G165V161-N163 PolarHBondContact O-N 2.78Å; V161-N163 VanDerWaalsContact O-N 3.13Å; N163-G165 PolarHBondContact O-N 2.91Å
164M33.3Very low35.3Very low171 Ų171125.3 Ų125.384%0.84267%0.669SS**  trans-72.295.8166.9-80.6-171.6-8700108.1Y162 S166Y162-M164 PolarHBondContact O-N 2.04Å; M164-S166 PolarHBondContact O-N 3.24Å
165G30.9Very low35Very low59 Ų59126.8 Ų126.861%0.60868%0.682SS**  trans-57.9120.7-17000000113.2N163 R167N163-G165 PolarHBondContact O-N 2.91Å; G165-R167 PolarHBondContact O-N 2.8Å; G165-R167 VanDerWaalsContact O-N 3.11Å
166S34Very low34.8Very low104 Ų104131.4 Ų131.473%0.72771%0.705SS**  trans-56.4111.6165.6151.20000110.1M164M164-S166 PolarHBondContact O-N 3.24Å
167R35.5Very low34.7Very low216 Ų216133.3 Ų133.382%0.81572%0.724SS**  trans-12890.4157.5-174.2171.3166.4166-4.6109.8G165 D169G165-R167 PolarHBondContact O-N 2.8Å; G165-R167 VanDerWaalsContact O-N 3.11Å; R167-D169 IonicContact NH2-OD2 3.67Å
168N34.7Very low35Very low141 Ų141141.2 Ų141.275%0.75474%0.736SS**  trans-63.4132163.3-57.6-43.1000109
169D37.1Very low35.2Very low128 Ų128143.6 Ų143.668%0.68474%0.744SS**  trans-148.9112.1153.7-121-31.6000106.4R167R167-D169 IonicContact NH2-OD2 3.67Å
170P36.8Very low36.1Very low97 Ų97146.5 Ų146.563%0.6376%0.756SS**  trans-82.2140.1176.733.3-31.2000109.3
171H45.3Very low36.8Very low186 Ų186148.9 Ų148.986%0.86177%0.767SS**  trans177.2138.3133.9-94.6-58.4000113.3
172N36.4Very low37.3Very low149 Ų149150.4 Ų150.480%0.79776%0.762SS**  trans77.7142.2151.8-153.131000119.2
173S36.8Very low38.1Very low81 Ų81147.7 Ų147.757%0.56677%0.768SS**  trans-98.9166.7-173.248.50000112.1
174D39.4Very low39Very low134 Ų134149.1 Ų149.172%0.71777%0.767SS**  178.5133.1107.1-82.8-15.7000113
175E34.1Very low39.5Very low175 Ų175147 Ų14782%0.81877%0.766SS**  trans31.4109.6138.8-165.8169.9-159.400120.8
176I37.6Very low40Very low177 Ų177150.9 Ų150.991%0.90878%0.778SS**  trans-140.7121.2130.844.7170.3000111
177S36Very low39.9Very low93 Ų93154.8 Ų154.865%0.6578%0.784SS**  trans-102.6135.7170.51490000109.4
178Y42.8Very low40.3Very low230 Ų230150 Ų15090%0.90278%0.784SS**  trans-133.8126.9161.8-121.4-92.7000111.1
179K39.4Very low40.5Very low189 Ų189150.3 Ų150.382%0.82279%0.786SS**  trans-99.5139.9167.9-70.7-83.3-171.9176.20107.3
180D51Low40.9Very low163 Ų163152 Ų15287%0.87280%0.795SS**  trans-150168.5149.8-156.67.2000111
181E46.7Very low41Very low168 Ų168154.8 Ų154.879%0.78581%0.805SS**  trans-113.8151.1-139.6-159.1172.9167.400115.3
182K37.7Very low40.7Very low179 Ų179155.1 Ų155.178%0.77881%0.807SS**  trans-35.5122.5169.7-179.2-177.5-174.4176.60115.8
183S45.9Very low40.6Very low116 Ų116156.3 Ų156.381%0.81181%0.805SS**  trans-120.6140152.752.40000110.3
184K47.7Very low40.4Very low176 Ų176158 Ų15877%0.76582%0.817SS**  trans-93.7149178.4-76.3-165175.5-168.10110.6
185P43.6Very low40.4Very low127 Ų127158 Ų15883%0.82582%0.816SS**  trans-72.3149.616232.6-33000110.7
186V41.6Very low40.2Very low140 Ų140154.5 Ų154.585%0.84882%0.817SS**  trans-109.9135.6170.3163.80000107.6
187E32.4Very low40.1Very low185 Ų185153.5 Ų153.586%0.86481%0.812SS**  trans-72.6146.4173.9-68.3161.8140.100111
188S43.3Very low39.8Very low115 Ų115157.2 Ų157.280%0.80482%0.824SS**  trans-147.2109.2154.760.20000108.4
189D38.5Very low39.4Very low149 Ų149154 Ų15480%0.79782%0.822SS**  trans-60.6147.4159.9-64.7-59.5000109.5
190D46.7Very low39Very low164 Ų164152 Ų15288%0.87782%0.819SS**  trans-167.9127.5135-99.6-25.6000110.6
191D38.1Very low38Very low155 Ų155148.5 Ų148.583%0.82981%0.813SS**  trans-48.5126.8-175.3-63.7-51.3000116.3
192Q40.1Very low37.3Very low193 Ų193147.8 Ų147.890%0.90282%0.815SS**  trans-155.291.9139.5-122.6-179.8-106.400115.8
193K33.4Very low37Very low174 Ų174144.4 Ų144.476%0.75781%0.814SS**  trans43.4100130.6-162.8174.6-178.7-1780118.3
194S33.1Very low36.2Very low117 Ų117144.3 Ų144.382%0.81881%0.811SS**  trans-77.7116.2164.653.50000111.9
195D38.1Very low35.4Very low133 Ų133140 Ų14071%0.71180%0.803SS**  trans-85.2116.7166.5-74.2-30.4000109.5I197D195-I197 PolarHBondContact O-N 3.05Å
196A29.9Very low34.8Very low101 Ų101143.9 Ų143.984%0.83580%0.802SS**  trans-79115.6-177.300000111.5
197I35.7Very low34.1Very low156 Ų156144.8 Ų144.880%0.880%0.797SS**  trans-87111.1170.3-59.5177.4000108.4D195 L199D195-I197 PolarHBondContact O-N 3.05Å; I197-L199 PolarHBondContact O-N 2.91Å
198L30Very low33.9Very low171 Ų171143.2 Ų143.290%0.89579%0.793SS**PPolyproline II helixtrans-67.6119.6166.2-77.6164.5000108.8
199L35.6Very low33.2Very low164 Ų164141.8 Ų141.886%0.85978%0.783SS**PPolyproline II helixtrans-81.2128.6171.4-93.7163.2000110.4I197I197-L199 PolarHBondContact O-N 2.91Å
200D29.4Very low32.7Very low145 Ų145140.5 Ų140.578%0.77579%0.786SS**PPolyproline II helixtrans-71.7146.8177.4-168.617.9000111.5
201A29.8Very low31.8Very low90 Ų90136.4 Ų136.474%0.74477%0.77SS**SBendtrans-112.342.8-156.300000114.4
202D33.5Very low31.3Very low153 Ų153137.7 Ų137.782%0.81877%0.771SS**  trans-131.230.3-176-97.1-33.2000114.5
203S30.4Very low30.9Very low108 Ų108133.2 Ų133.276%0.75575%0.753SS**  trans-105.6126.3170.7-73.20000111.6S205S203-S205 PolarHBondContact O-N 3.21Å
204P30.1Very low30.7Very low115 Ų115133.7 Ų133.775%0.74776%0.763SS**  trans-69.998.6177.228.7-33.2000109.4Y206P204-Y206 PolarHBondContact O-N 3.22Å
205S29.5Very low30.8Very low85 Ų85134.4 Ų134.459%0.59476%0.758SS**  trans-62.8107.2173.262.80000109S203 Q207S203-S205 PolarHBondContact O-N 3.21Å; S205-Q207 PolarHBondContact O-N 3.44Å
206Y32Very low30.4Very low208 Ų208135.5 Ų135.582%0.81676%0.759SS**  trans-60.793.6154.4-70.8-81.2000106.5P204 I208P204-Y206 PolarHBondContact O-N 3.22Å; Y206-I208 PolarHBondContact O-N 3.4Å
207Q26.5Very low30.6Very low159 Ų159140.9 Ų140.974%0.74376%0.764SS**  trans-71.185.6175.5-69.3-170.221.600107.9S205 S209S205-Q207 PolarHBondContact O-N 3.44Å; Q207-S209 PolarHBondContact O-N 2.92Å
208I28.7Very low30.3Very low153 Ų153139.8 Ų139.879%0.78576%0.759SS**  trans-65.692.6164.2-54.6171.5000105.3Y206 S210Y206-I208 PolarHBondContact O-N 3.4Å; I208-S210 PolarHBondContact O-N 3.27Å
209S28Very low30.6Very low84 Ų84134.1 Ų134.159%0.58774%0.743SS**  trans-66.880.7177.4-64.20000110.2Q207 S211Q207-S209 PolarHBondContact O-N 2.92Å; S209-S211 PolarHBondContact O-N 2.9Å
210S27.4Very low30.3Very low122 Ų122134 Ų13485%0.85374%0.743SS**  trans-73.668168.2170.90000109.4I208I208-S210 PolarHBondContact O-N 3.27Å
211S27.9Very low30.6Very low78 Ų78133.4 Ų133.455%0.54574%0.744SS.*  trans-142.3135.6174.254.20000111.1S209S209-S211 PolarHBondContact O-N 2.9Å
212E28.3Very low30.7Very low183 Ų183135 Ų13586%0.85575%0.749SS**  trans77.572.9153.4-153.6157.8-139.300118.3
213N31.8Very low31.2Very low98 Ų98136.1 Ų136.152%0.52475%0.75SS.*  trans-162.751.7131.569.2-16.4000114.8N146 N215N146-N213 PolarHBondContact ND2-ND2 3.1Å; N146-N213 PolarHBondContact OD1-ND2 3.46Å; N213-N215 PolarHBondContact O-N 3.21Å
214L29.9Very low31.3Very low184 Ų184140.3 Ų140.396%0.96375%0.754SS**  trans-72.268151.5-72.4179.2000108.8E216L214-E216 VanDerWaalsContact C-N 3.28Å; L214-E216 PolarHBondContact O-N 2.92Å
215N34.7Very low31.8Very low133 Ų133140.5 Ų140.571%0.71176%0.756SS**  trans-76.986176-169.8101.9000109.1N213 F217N213-N215 PolarHBondContact O-N 3.21Å; N215-F217 PolarHBondContact O-N 2.84Å
216E29.5Very low32.2Very low155 Ų155142 Ų14272%0.72476%0.757SS**  trans8.799.6137.5-159.2168.4-149.400113.6L214 D218L214-E216 VanDerWaalsContact C-N 3.28Å; L214-E216 PolarHBondContact O-N 2.92Å; E216-D218 HydrophobicContact CG-CB 4.24Å; E216-D218 PolarHBondContact O-N 3.27Å
217F33.4Very low32.7Very low214 Ų214137 Ų13794%0.93975%0.752SS**  trans-81.868.2171.6-131-77.7000107.9N215 G219N215-F217 PolarHBondContact O-N 2.84Å; F217-G219 VanDerWaalsContact C-N 3.34Å; F217-G219 PolarHBondContact O-N 3.15Å
218D29.4Very low33.4Very low133 Ų133136.3 Ų136.371%0.71175%0.754SS**  trans-71.492.1177.2-161.120.9000109E216E216-D218 HydrophobicContact CG-CB 4.24Å; E216-D218 PolarHBondContact O-N 3.27Å
219G36.8Very low34Very low53 Ų53134.9 Ų134.955%0.54675%0.748SS.*  trans-106.998.6177.700000109.6F217 V221F217-G219 VanDerWaalsContact C-N 3.34Å; F217-G219 PolarHBondContact O-N 3.15Å; G219-V221 VanDerWaalsContact C-N 3.35Å; G219-V221 PolarHBondContact O-N 2.9Å
220D29.5Very low34.3Very low162 Ų162139 Ų13987%0.86676%0.762SS**  trans-53.891.7173.3-100-38.7000111.4
221V35.3Very low34.6Very low132 Ų132141.7 Ų141.780%0.876%0.759SS**  trans-117.893.3166.1-177.70000107.9G219 E223G219-V221 VanDerWaalsContact C-N 3.35Å; G219-V221 PolarHBondContact O-N 2.9Å; V221-E223 PolarHBondContact O-N 2.7Å
222S32.9Very low34.8Very low122 Ų122142.1 Ų142.185%0.85376%0.762SS**  trans-6288.5174.51580000111.8
223E43.7Very low34.9Very low178 Ų178140.5 Ų140.583%0.83276%0.759SS**  trans-151.4141.8147.6-146.5162.8-172.800111.3V221 P225V221-E223 PolarHBondContact O-N 2.7Å; E223-P225 VanDerWaalsContact O-CD 3.24Å; E223-P225 WeakPolarHBondContact O-CD 3.4Å
224K31.6Very low34.8Very low195 Ų195140.9 Ų140.985%0.84876%0.76SS**  trans-76.6109.3-170.4177.5178.2179.6175.40110.4N226K224-N226 PolarHBondContact O-N 2.89Å
225P40.2Very low35.1Very low120 Ų120136.1 Ų136.178%0.77974%0.738SS**  trans-74.9115.3-174.730-33000111.1E223E223-P225 VanDerWaalsContact O-CD 3.24Å; E223-P225 WeakPolarHBondContact O-CD 3.4Å
226N38.6Very low35.5Very low116 Ų116137.2 Ų137.262%0.6274%0.739SS**  trans-58.1134.8166.134.7-61.1000110.8K224 D228K224-N226 PolarHBondContact O-N 2.89Å; N226-D228 PolarHBondContact O-N 3.27Å
227S43Very low36Very low102 Ų102137.9 Ų137.971%0.71374%0.741SS**THydrogen-bonded Turntrans-71.24.8-159.355.40000117.4
228D41.9Very low36.7Very low146 Ų146131.2 Ų131.278%0.78171%0.713SS**THydrogen-bonded Turntrans-109.70.3-167.6-58.1-21.9000113.1N226 L230N226-D228 PolarHBondContact O-N 3.27Å; D228-L230 PolarHBondContact O-N 2.91Å
229D39.6Very low37.3Very low123 Ų123129.9 Ų129.966%0.65871%0.705SS**  trans-97.734-174.2-116-18.8000114.1K231D229-K231 PolarHBondContact O-N 3.17Å
230L34.2Very low37.7Very low169 Ų169129.9 Ų129.989%0.88569%0.69SS**  trans-71.839.9174.3-71.2176.2000113.5D228 S232D228-L230 PolarHBondContact O-N 2.91Å; L230-S232 VanDerWaalsContact C-N 3.3Å; L230-S232 PolarHBondContact O-N 2.84Å
231K34.1Very low38.4Very low180 Ų180124.2 Ų124.278%0.78366%0.66SS**  trans-79.976.8172.9-109.6177180171.60111D229 N233D229-K231 PolarHBondContact O-N 3.17Å; K231-N233 PolarHBondContact O-N 2.98Å
232S33.3Very low38.9Very low86 Ų86118.9 Ų118.960%0.60163%0.629SS**  trans43.968.5151.469.70000115.8L230 I234L230-S232 VanDerWaalsContact C-N 3.3Å; L230-S232 PolarHBondContact O-N 2.84Å; S232-I234 PolarHBondContact O-N 3.27Å
233N28.9Very low39.6Very low149 Ų149114.6 Ų114.680%0.79760%0.598SS**  trans-69.377.2156.2-170.83.5000108.3K231 V235K231-N233 PolarHBondContact O-N 2.98Å; N233-V235 PolarHBondContact O-N 3.09Å
234I30.2Very low39.6Very low106 Ų106108.1 Ų108.154%0.54458%0.58SS.*  trans-73.286.8174.1-63.5169.9000106.3S232 H236S232-I234 PolarHBondContact O-N 3.27Å; I234-H236 PolarHBondContact O-N 3.45Å
235V37Very low40.2Very low85 Ų85100.5 Ų100.552%0.51555%0.546SS..  trans-60.5106.4168.5178.90000106.9N233 H237N233-V235 PolarHBondContact O-N 3.09Å; V235-H237 VanDerWaalsContact C-N 3.31Å; V235-H237 PolarHBondContact O-CD2 3.32Å; V235-H237 VanDerWaalsContact O-CD2 3.27Å; V235-H237 PolarHBondContact O-N 2.79Å
236H41.7Very low40.2Very low155 Ų15598.2 Ų98.272%0.71853%0.533SS*.  trans-64.993.1173.9-81.5-88.5000108.9I234 H238I234-H236 PolarHBondContact O-N 3.45Å; H236-H238 VanDerWaalsContact C-N 3.3Å; H236-H238 PolarHBondContact O-N 3Å
237H41.7Very low40.3Very low169 Ų16994.8 Ų94.878%0.78251%0.514SS*.  trans-65.888.6174.7-77.1-83.7000110.3V235 L239V235-H237 VanDerWaalsContact C-N 3.31Å; V235-H237 PolarHBondContact O-CD2 3.32Å; V235-H237 VanDerWaalsContact O-CD2 3.27Å; V235-H237 PolarHBondContact O-N 2.79Å; H237-L239 PolarHBondContact O-N 3.38Å
238H47.3Very low40.4Very low75 Ų7598.2 Ų98.235%0.34752%0.519SS..  trans-75.698.5171.4-177.2-69.8000109.1H236 F240 N262H236-H238 VanDerWaalsContact C-N 3.3Å; H236-H238 PolarHBondContact O-N 3Å; H238-F240 PolarHBondContact O-N 2.82Å; H238-N262 VanDerWaalsContact CE1-CG 3.41Å; H238-N262 PolarHBondContact CE1-OD1 2.93Å; H238-N262 WeakPolarHBondContact NE2-CB 3.41Å
239L41.9Very low40.6Very low104 Ų10498.3 Ų98.355%0.54551%0.509SS..  trans-65.9106175.8-177.262.6000109.7H237 I241H237-L239 PolarHBondContact O-N 3.38Å; L239-I241 HydrophobicContact CD2-CD1 4.38Å; L239-I241 HydrophobicContact CG-CG1 4.33Å
240F45.3Very low40.8Very low53 Ų53102 Ų10223%0.23252%0.522CS..EExtended strand (participates in β ladder)trans-95.1119.3179.8-173.5-91.3000109.7V145 V149 H238 I260 N262V145-F240 HydrophobicContact CG1-CE1 3.84Å; V149-F240 HydrophobicContact CG2-CD1 3.86Å; V149-F240 HydrophobicContact CG2-CD2 4.43Å; V149-F240 HydrophobicContact CG2-CE1 3.39Å; V149-F240 HydrophobicContact CG2-CE2 4.01Å; V149-F240 HydrophobicContact CG2-CG 4.35Å; V149-F240 HydrophobicContact CG2-CZ 3.47Å; V149-F240 VanDerWaalsContact CG2-CZ 3.47Å; H238-F240 PolarHBondContact O-N 2.82Å; F240-I260 HydrophobicContact CD2-CG2 4.24Å; F240-I260 HydrophobicContact CE2-CB 4.44Å; F240-I260 HydrophobicContact CE2-CG1 4.43Å; F240-I260 HydrophobicContact CE2-CG2 3.29Å; F240-I260 HydrophobicContact CZ-CB 4.24Å; F240-I260 HydrophobicContact CZ-CD1 4.02Å; F240-I260 HydrophobicContact CZ-CG1 3.79Å; F240-I260 HydrophobicContact CZ-CG2 3.53Å; F240-N262 WeakPolarHBondContact CD2-OD1 3.46Å
241I43.4Very low41.6Very low43 Ų43103.4 Ų103.422%0.22152%0.521CS..EExtended strand (participates in β ladder)trans-119114.6172-56.7175.2000107M19 L239 V261M19-I241 HydrophobicContact CG-CD1 4.4Å; M19-I241 HydrophobicContact SD-CD1 3.42Å; M19-I241 WeakPolarHBondContact SD-CD1 3.34Å; L239-I241 HydrophobicContact CD2-CD1 4.38Å; L239-I241 HydrophobicContact CG-CG1 4.33Å; I241-V261 PolarHBondContact O-N 3.48Å; I241-V261 VanDerWaalsContact O-N 3.16Å
242S46.9Very low41.8Very low21 Ų2197.9 Ų97.915%0.14751%0.505CS..EExtended strand (participates in β ladder)trans-113.4133.6167.8-1760000109.1L259S242-L259 WeakPolarHBondContact CA-O 3.47Å; S242-L259 WeakPolarHBondContact CB-O 3.46Å; S242-L259 PolarHBondContact OG-O 3.33Å
243S46.3Very low41.9Very low31 Ų3199.5 Ų99.522%0.21751%0.511CS..EExtended strand (participates in β ladder)trans-115.3133169.951.30000108.5L259S243-L259 PolarHBondContact N-O 2.98Å; S243-L259 PolarHBondContact O-N 3.11Å; S243-L259 VanDerWaalsContact O-N 3.1Å
244G43.8Very low42.8Very low43 Ų4395 Ų9544%0.44349%0.486SS..EExtended strand (participates in β ladder)trans-106.2129.3173.500000108.6W141W141-G244 VanDerWaalsContact CZ3-CA 3.43Å
245F44.8Very low43.7Very low34 Ų3494.4 Ų94.415%0.14948%0.484CS..EExtended strand (participates in β ladder)trans-132139.1172.553.2-98.2000109.8I27 L31 I247 V257 L259I27-F245 HydrophobicContact CG1-CD1 4.5Å; I27-F245 HydrophobicContact CG1-CE1 4.14Å; I27-F245 HydrophobicContact CG2-CE1 4.32Å; L31-F245 HydrophobicContact CD2-CE2 3.78Å; L31-F245 HydrophobicContact CD2-CZ 4.16Å; F245-I247 HydrophobicContact CD2-CD1 3.55Å; F245-I247 HydrophobicContact CD2-CG1 3.93Å; F245-I247 HydrophobicContact CE2-CD1 3.76Å; F245-V257 HydrophobicContact CD2-CB 4.18Å; F245-V257 HydrophobicContact CE2-CB 3.74Å; F245-V257 HydrophobicContact CE2-CG1 3.71Å; F245-V257 HydrophobicContact CE2-CG2 4.42Å; F245-V257 HydrophobicContact CZ-CB 4.22Å; F245-V257 HydrophobicContact CZ-CG1 3.71Å; F245-V257 PolarHBondContact N-O 2.9Å; F245-V257 PolarHBondContact O-N 2.97Å; F245-L259 HydrophobicContact CE1-CB 4.04Å; F245-L259 HydrophobicContact CE1-CD2 4.35Å
246C40.4Very low44.4Very low73 Ų7393.6 Ų93.649%0.49347%0.474SS..EExtended strand (participates in β ladder)trans-105.5123.3171.4-71.90000107.4N255C246-N255 PolarHBondContact SG-O 3.49Å; C246-N255 VanDerWaalsContact SG-O 3.35Å
247I41.6Very low44.8Very low44 Ų4486.7 Ų86.723%0.22644%0.443CS..EExtended strand (participates in β ladder)trans-121.5108.5177.5-65.9168.8000106.8L31 F35 F245L31-I247 HydrophobicContact CD1-CD1 3.62Å; L31-I247 HydrophobicContact CD2-CD1 3.34Å; L31-I247 HydrophobicContact CG-CD1 4.13Å; F35-I247 HydrophobicContact CZ-CG2 4.19Å; F245-I247 HydrophobicContact CD2-CD1 3.55Å; F245-I247 HydrophobicContact CD2-CG1 3.93Å; F245-I247 HydrophobicContact CE2-CD1 3.76Å
248Q44Very low45.6Very low173 Ų17379.1 Ų79.181%0.80841%0.408SS*.EExtended strand (participates in β ladder)trans-83.2123165.6-72.8-173.9-10.600108.5
249Y46.1Very low46.2Very low148 Ų14875.7 Ų75.758%0.5839%0.392SS*.EExtended strand (participates in β ladder)trans-118.1137.9168.5-154.2-94.8000107.9F35 K251 C252F35-Y249 HydrophobicContact CE1-CG 4.4Å; Y249-K251 PolarHBondContact O-N 3.32Å; Y249-C252 CarbonylContact O-C 3.58Å; Y249-C252 PolarHBondContact O-N 2.94Å
250E45.1Very low47Very low200 Ų20071.1 Ų71.194%0.93537%0.368SS*.THydrogen-bonded Turntrans-58.9-11-167.1-162.3174.6-172.100115
251K49.2Very low47.5Very low199 Ų19968.6 Ų68.687%0.86536%0.357SS*.THydrogen-bonded Turntrans-126.2-2.2175.8-105.8173.8176.7172.30116Y249Y249-K251 PolarHBondContact O-N 3.32Å
252C39.3Very low48.1Very low65 Ų6567 Ų6744%0.43935%0.349SS..EExtended strand (participates in β ladder)trans-140.9104.9-176.7-72.90000110.9Y249 L254Y249-C252 CarbonylContact O-C 3.58Å; Y249-C252 PolarHBondContact O-N 2.94Å; C252-L254 VanDerWaalsContact C-N 3.34Å; C252-L254 PolarHBondContact O-N 2.88Å
253V35.6Very low48.3Very low119 Ų11967.4 Ų67.472%0.72135%0.347SS*.EExtended strand (participates in β ladder)trans-78.982176.2-176.40000110.1N255V253-N255 VanDerWaalsContact C-N 3.27Å; V253-N255 WeakPolarHBondContact CG1-OD1 3.45Å; V253-N255 PolarHBondContact O-N 2.94Å
254L47.8Very low48.2Very low55 Ų5571.2 Ų71.229%0.28836%0.357SS..EExtended strand (participates in β ladder)trans-82.774.7164.2-73.7175000109.3F35 C252 K256 V257F35-L254 HydrophobicContact CE1-CD1 4.44Å; F35-L254 HydrophobicContact CZ-CD1 4.1Å; C252-L254 VanDerWaalsContact C-N 3.34Å; C252-L254 PolarHBondContact O-N 2.88Å; L254-K256 PolarHBondContact O-N 3.46Å; L254-V257 HydrophobicContact CB-CG2 4.31Å; L254-V257 HydrophobicContact CD1-CG2 4.48Å
255N49Very low48.5Very low94 Ų9472.8 Ų72.850%0.50335%0.35SS..EExtended strand (participates in β ladder)trans-47.9-38.5-177.2-92.7-14000114.2C246 V253 E290C246-N255 PolarHBondContact SG-O 3.49Å; C246-N255 VanDerWaalsContact SG-O 3.35Å; V253-N255 VanDerWaalsContact C-N 3.27Å; V253-N255 WeakPolarHBondContact CG1-OD1 3.45Å; V253-N255 PolarHBondContact O-N 2.94Å; N255-E290 VanDerWaalsContact CB-OE2 3.22Å; N255-E290 WeakPolarHBondContact CB-OE2 3.17Å; N255-E290 PolarHBondContact ND2-OE2 3.42Å
256K52Low48.8Very low68 Ų6877 Ų7730%0.29637%0.37SS..EExtended strand (participates in β ladder)trans-154.5125-176.9-161168.2-176.1174.30110.5T144 L254 I258 S289 E290T144-K256 PolarHBondContact OG1-NZ 3.26Å; L254-K256 PolarHBondContact O-N 3.46Å; K256-I258 HydrophobicContact CG-CG1 4.38Å; K256-S289 WeakPolarHBondContact O-CA 3.36Å; K256-E290 HydrophobicContact CB-CG 4.29Å
257V49.7Very low49.1Very low10 Ų1077.1 Ų77.16%0.06137%0.366CS..EExtended strand (participates in β ladder)trans-121120.7168.4179.90000108.2F245 L254 L287F245-V257 HydrophobicContact CD2-CB 4.18Å; F245-V257 HydrophobicContact CE2-CB 3.74Å; F245-V257 HydrophobicContact CE2-CG1 3.71Å; F245-V257 HydrophobicContact CE2-CG2 4.42Å; F245-V257 HydrophobicContact CZ-CB 4.22Å; F245-V257 HydrophobicContact CZ-CG1 3.71Å; F245-V257 PolarHBondContact N-O 2.9Å; F245-V257 PolarHBondContact O-N 2.97Å; L254-V257 HydrophobicContact CB-CG2 4.31Å; L254-V257 HydrophobicContact CD1-CG2 4.48Å; V257-L287 HydrophobicContact CG1-CD1 3.9Å; V257-L287 HydrophobicContact CG1-CD2 3.89Å; V257-L287 HydrophobicContact CG1-CG 3.74Å
258I57.4Low49.5Very low10 Ų1078.4 Ų78.45%0.05138%0.377CS..EExtended strand (participates in β ladder)trans-104.2118.8174.5-58.9178.2000107.7W141 T144 I148 K256 I260 L287 K288W141-I258 HydrophobicContact CH2-CG2 4.17Å; W141-I258 HydrophobicContact CZ3-CG1 4.31Å; T144-I258 HydrophobicContact CG2-CD1 3.86Å; I148-I258 HydrophobicContact CD1-CD1 3.62Å; K256-I258 HydrophobicContact CG-CG1 4.38Å; I258-I260 HydrophobicContact CG2-CD1 4.24Å; I258-I260 HydrophobicContact CG2-CG1 4.06Å; I258-L287 WeakPolarHBondContact O-CA 3.5Å; I258-K288 PolarHBondContact N-O 3.43Å; I258-K288 PolarHBondContact O-N 3.48Å; I258-K288 VanDerWaalsContact O-N 3.07Å
259L59.9Low49.7Very low3 Ų374.6 Ų74.62%0.01637%0.366CS..EExtended strand (participates in β ladder)trans-98.9130.6170.5176.863.4000109.1L26 I27 S242 S243 F245 V261L26-L259 HydrophobicContact CD2-CD1 3.97Å; L26-L259 HydrophobicContact CD2-CD2 3.62Å; L26-L259 HydrophobicContact CD2-CG 4.34Å; I27-L259 HydrophobicContact CG1-CD2 3.98Å; S242-L259 WeakPolarHBondContact CA-O 3.47Å; S242-L259 WeakPolarHBondContact CB-O 3.46Å; S242-L259 PolarHBondContact OG-O 3.33Å; S243-L259 PolarHBondContact N-O 2.98Å; S243-L259 PolarHBondContact O-N 3.11Å; S243-L259 VanDerWaalsContact O-N 3.1Å; F245-L259 HydrophobicContact CE1-CB 4.04Å; F245-L259 HydrophobicContact CE1-CD2 4.35Å; L259-V261 HydrophobicContact CD1-CG2 4.37Å; L259-V261 HydrophobicContact CD2-CG2 4.39Å; L259-V261 HydrophobicContact CG-CG2 4.15Å
260I59.1Low49.8Very low7 Ų770.7 Ų70.74%0.03635%0.354CS..EExtended strand (participates in β ladder)trans-123.9120175.7-68.6165.5000107.6I148 V152 F240 I258 N262 N285 F286I148-I260 HydrophobicContact CG2-CD1 3.66Å; V152-I260 HydrophobicContact CG2-CD1 4.46Å; F240-I260 HydrophobicContact CD2-CG2 4.24Å; F240-I260 HydrophobicContact CE2-CB 4.44Å; F240-I260 HydrophobicContact CE2-CG1 4.43Å; F240-I260 HydrophobicContact CE2-CG2 3.29Å; F240-I260 HydrophobicContact CZ-CB 4.24Å; F240-I260 HydrophobicContact CZ-CD1 4.02Å; F240-I260 HydrophobicContact CZ-CG1 3.79Å; F240-I260 HydrophobicContact CZ-CG2 3.53Å; I258-I260 HydrophobicContact CG2-CD1 4.24Å; I258-I260 HydrophobicContact CG2-CG1 4.06Å; I260-N262 WeakPolarHBondContact CG2-OD1 3.5Å; I260-N285 WeakPolarHBondContact O-CA 3.5Å; I260-F286 HydrophobicContact CB-CB 4.15Å; I260-F286 HydrophobicContact CB-CD2 4.33Å; I260-F286 HydrophobicContact CG2-CD2 3.95Å; I260-F286 PolarHBondContact N-O 2.71Å; I260-F286 PolarHBondContact O-N 3.35Å
261V56.8Low49.9Very low1 Ų168.7 Ų68.71%0.00634%0.343CS..EExtended strand (participates in β ladder)trans-110.1111.7176.7-177.90000108.4L26 I241 L259 W263L26-V261 HydrophobicContact CD2-CG2 4.16Å; I241-V261 PolarHBondContact O-N 3.48Å; I241-V261 VanDerWaalsContact O-N 3.16Å; L259-V261 HydrophobicContact CD1-CG2 4.37Å; L259-V261 HydrophobicContact CD2-CG2 4.39Å; L259-V261 HydrophobicContact CG-CG2 4.15Å; V261-W263 HydrophobicContact CG1-CD2 4.31Å; V261-W263 HydrophobicContact CG1-CZ2 4.07Å
262N54.8Low50Low9 Ų970.3 Ų70.35%0.04834%0.344CS..EExtended strand (participates in β ladder)trans-93.6110.9177.7-77.31.5000111.2H238 F240 I260 T283 D284H238-N262 VanDerWaalsContact CE1-CG 3.41Å; H238-N262 PolarHBondContact CE1-OD1 2.93Å; H238-N262 WeakPolarHBondContact NE2-CB 3.41Å; F240-N262 WeakPolarHBondContact CD2-OD1 3.46Å; I260-N262 WeakPolarHBondContact CG2-OD1 3.5Å; N262-T283 PolarHBondContact O-N 3.07Å; N262-T283 VanDerWaalsContact O-N 3.09Å; N262-T283 PolarHBondContact O-OG1 3.12Å; N262-T283 VanDerWaalsContact O-OG1 3.14Å; N262-D284 WeakPolarHBondContact CB-O 3.27Å; N262-D284 PolarHBondContact N-O 3.38Å
263W51.5Low49.8Very low29 Ų2970.8 Ų70.811%0.1136%0.359CS..EExtended strand (participates in β ladder)trans-93.5128.3172.9-61.7104.4000110.6F22 V261 F280 P282F22-W263 AromaticContact CD1-CH2 3.66Å; F22-W263 HydrophobicContact CD1-CH2 3.66Å; F22-W263 AromaticContact CD1-CZ2 3.64Å; F22-W263 HydrophobicContact CD1-CZ2 3.64Å; F22-W263 AromaticContact CE1-CH2 3.3Å; F22-W263 HydrophobicContact CE1-CH2 3.3Å; F22-W263 AromaticContact CE1-CZ2 3.51Å; F22-W263 HydrophobicContact CE1-CZ2 3.51Å; F22-W263 HydrophobicContact CE1-CZ3 4.42Å; F22-W263 HydrophobicContact CG-CH2 4.42Å; F22-W263 AromaticContact CZ-CH2 3.8Å; F22-W263 HydrophobicContact CZ-CH2 3.8Å; F22-W263 HydrophobicContact CZ-CZ2 4.43Å; V261-W263 HydrophobicContact CG1-CD2 4.31Å; V261-W263 HydrophobicContact CG1-CZ2 4.07Å; W263-F280 HydrophobicContact CE3-CB 3.74Å; W263-F280 HydrophobicContact CH2-CB 4.27Å; W263-F280 HydrophobicContact CZ3-CB 3.45Å; W263-F280 VanDerWaalsContact CZ3-CB 3.45Å; W263-F280 HydrophobicContact CZ3-CG 4.45Å; W263-P282 HydrophobicContact CE3-CB 4.34Å; W263-P282 HydrophobicContact CZ3-CB 4.09Å; W263-P282 HydrophobicContact CZ3-CG 4.41Å
264R43.7Very low50Low112 Ų11269.3 Ų69.342%0.42337%0.369SS..EExtended strand (participates in β ladder)trans-103.4140.3161.9-69.3-165.3-178.7-178.6-7.7109.3H156 T283H156-R264 VanDerWaalsContact CE1-CZ 3.48Å; H156-R264 PolarHBondContact CE1-NH2 3.4Å; H156-R264 PolarHBondContact ND1-NH2 3.04Å; R264-T283 HydrophobicContact CB-CG2 3.75Å; R264-T283 HydrophobicContact CG-CG2 3.65Å
265Y50.7Low49.6Very low76 Ų7669.2 Ų69.230%0.29838%0.381SS..PPolyproline II helixtrans-91.3127.9168.9-155-70.3000107.9D267 L270 F271Y265-D267 WeakPolarHBondContact CD1-O 3.37Å; Y265-D267 WeakPolarHBondContact CE1-O 3.36Å; Y265-L270 HydrophobicContact CE1-CB 4.06Å; Y265-L270 HydrophobicContact CE1-CD1 4.07Å; Y265-L270 WeakPolarHBondContact OH-CB 3.39Å; Y265-F271 HydrophobicContact CD2-CE2 4.27Å; Y265-F271 AromaticContact CE2-CE2 3.5Å; Y265-F271 HydrophobicContact CE2-CE2 3.5Å; Y265-F271 AromaticContact CE2-CZ 3.68Å; Y265-F271 HydrophobicContact CE2-CZ 3.68Å; Y265-F271 AromaticContact CZ-CE2 3.69Å
266E51.7Low49.3Very low122 Ų12272 Ų7257%0.5740%0.396SS*.SBendtrans-72.8-37.5-174.5-66.5-171.715000113.2Q281E266-Q281 WeakPolarHBondContact OE1-CG 3.48Å; E266-Q281 PolarHBondContact OE1-NE2 2.97Å
267D45.9Very low49Very low76 Ų7673.2 Ų73.241%0.40641%0.409SS..  trans-146.797.5174.3-172.4-16.9000112.3Y265 T269 L270Y265-D267 WeakPolarHBondContact CD1-O 3.37Å; Y265-D267 WeakPolarHBondContact CE1-O 3.36Å; D267-T269 PolarHBondContact O-N 3.15Å; D267-T269 WeakPolarHBondContact OD1-CB 3.37Å; D267-T269 WeakPolarHBondContact OD1-CG2 3.03Å; D267-T269 PolarHBondContact OD1-N 2.87Å; D267-T269 VanDerWaalsContact OD1-N 3.11Å; D267-T269 PolarHBondContact OD1-OG1 3.02Å; D267-T269 PolarHBondContact OD2-OG1 3.3Å; D267-L270 PolarHBondContact O-N 2.86Å; D267-L270 VanDerWaalsContact O-N 3.12Å
268P49.7Very low48.8Very low70 Ų7073.8 Ų73.846%0.45542%0.416SS..G310 helixtrans-61.5-7.8-173.925.9-34.8000114.6L270P268-L270 VanDerWaalsContact C-N 3.26Å; P268-L270 PolarHBondContact O-N 3.49Å
269T49.5Very low48.1Very low94 Ų9480.4 Ų80.458%0.57745%0.447SS*.G310 helixtrans-72.2-14.8174.768.10000114.1D267 F271 R272D267-T269 PolarHBondContact O-N 3.15Å; D267-T269 WeakPolarHBondContact OD1-CB 3.37Å; D267-T269 WeakPolarHBondContact OD1-CG2 3.03Å; D267-T269 PolarHBondContact OD1-N 2.87Å; D267-T269 VanDerWaalsContact OD1-N 3.11Å; D267-T269 PolarHBondContact OD1-OG1 3.02Å; D267-T269 PolarHBondContact OD2-OG1 3.3Å; T269-F271 PolarHBondContact O-N 3.01Å; T269-R272 PolarHBondContact O-N 3.48Å
270L46.6Very low47.4Very low65 Ų6585.2 Ų85.234%0.3447%0.468SS..G310 helixtrans-61.3-9.6-176.4-85172.4000115.9Y265 D267 P268 R272Y265-L270 HydrophobicContact CE1-CB 4.06Å; Y265-L270 HydrophobicContact CE1-CD1 4.07Å; Y265-L270 WeakPolarHBondContact OH-CB 3.39Å; D267-L270 PolarHBondContact O-N 2.86Å; D267-L270 VanDerWaalsContact O-N 3.12Å; P268-L270 VanDerWaalsContact C-N 3.26Å; P268-L270 PolarHBondContact O-N 3.49Å; L270-R272 VanDerWaalsContact C-N 3.25Å; L270-R272 PolarHBondContact O-N 2.95Å
271F47.8Very low46.8Very low158 Ų15889.6 Ų89.669%0.69349%0.488SS*.G310 helixtrans-76.9-6.9171.9-67.1-78.5000114Y265 T269 G273Y265-F271 HydrophobicContact CD2-CE2 4.27Å; Y265-F271 AromaticContact CE2-CE2 3.5Å; Y265-F271 HydrophobicContact CE2-CE2 3.5Å; Y265-F271 AromaticContact CE2-CZ 3.68Å; Y265-F271 HydrophobicContact CE2-CZ 3.68Å; Y265-F271 AromaticContact CZ-CE2 3.69Å; T269-F271 PolarHBondContact O-N 3.01Å; F271-G273 VanDerWaalsContact C-N 3.29Å; F271-G273 PolarHBondContact O-N 3.19Å
272R51.6Low46.5Very low233 Ų23390.3 Ų90.388%0.87949%0.493SS*.SBendtrans-82.469.5173.7-171.2175.2-84.5-112.80.3111.9T269 L270T269-R272 PolarHBondContact O-N 3.48Å; L270-R272 VanDerWaalsContact C-N 3.25Å; L270-R272 PolarHBondContact O-N 2.95Å
273G34.3Very low46.3Very low75 Ų7591.5 Ų91.577%0.77350%0.5SS*.SBendtrans50.997.4156.500000118.8F271F271-G273 VanDerWaalsContact C-N 3.29Å; F271-G273 PolarHBondContact O-N 3.19Å
274G41Very low46.4Very low89 Ų8990.5 Ų90.592%0.91850%0.497SS*.SBendtrans103.813.3158.200000117.2
275G38.3Very low46.9Very low52 Ų5286.3 Ų86.354%0.53648%0.483SS..  trans-92159169.100000113
276N42.6Very low47Very low153 Ų15383.6 Ų83.682%0.81847%0.473SS*.  trans-56.4145.6174.5-74.6-29.4000111.4G278N276-G278 PolarHBondContact O-N 2.94Å; N276-G278 VanDerWaalsContact O-N 3.07Å
277V46.9Very low47Very low94 Ų9478.1 Ų78.157%0.5745%0.448SS*.  trans-59.9113.7177.9176.10000109.5R15 E279R15-V277 VanDerWaalsContact NH2-CG1 3.3Å; V277-E279 PolarHBondContact O-N 3.1Å
278G45.4Very low47.2Very low21 Ų2179.1 Ų79.122%0.21645%0.448CS..  trans-55.8136.5175.800000111.4N276N276-G278 PolarHBondContact O-N 2.94Å; N276-G278 VanDerWaalsContact O-N 3.07Å
279E41.6Very low47.1Very low150 Ų15076.8 Ų76.870%0.70143%0.434SS*.  trans-69.7133.2178.4-67.5-165.316400110.4V277 Q281V277-E279 PolarHBondContact O-N 3.1Å; E279-Q281 PolarHBondContact O-N 2.95Å
280F46.1Very low46.7Very low104 Ų10479.1 Ų79.146%0.45644%0.438SS..  trans-82.5106.5173.9-66-82.5000109.6W263 P282W263-F280 HydrophobicContact CE3-CB 3.74Å; W263-F280 HydrophobicContact CH2-CB 4.27Å; W263-F280 HydrophobicContact CZ3-CB 3.45Å; W263-F280 VanDerWaalsContact CZ3-CB 3.45Å; W263-F280 HydrophobicContact CZ3-CG 4.45Å; F280-P282 WeakPolarHBondContact O-CD 3.41Å
281Q46.1Very low46.3Very low99 Ų9980.5 Ų80.546%0.46345%0.453SS..EExtended strand (participates in β ladder)trans-91.6114.4173.3-63.9-140.846.200111.2E266 E279 T283E266-Q281 WeakPolarHBondContact OE1-CG 3.48Å; E266-Q281 PolarHBondContact OE1-NE2 2.97Å; E279-Q281 PolarHBondContact O-N 2.95Å; Q281-T283 PolarHBondContact O-N 3.43Å
282P51.6Low45.9Very low16 Ų1676.8 Ų76.810%0.10444%0.44CS..EExtended strand (participates in β ladder)trans-73.5113170.829.7-32.1000108.6W263 F280 K298W263-P282 HydrophobicContact CE3-CB 4.34Å; W263-P282 HydrophobicContact CZ3-CB 4.09Å; W263-P282 HydrophobicContact CZ3-CG 4.41Å; F280-P282 WeakPolarHBondContact O-CD 3.41Å; P282-K298 HydrophobicContact CG-CD 4.35Å
283T48.9Very low45.3Very low33 Ų3368.7 Ų68.720%0.20242%0.415CS..EExtended strand (participates in β ladder)trans-84.8-44.5-166.652.60000113.5N262 R264 Q281N262-T283 PolarHBondContact O-N 3.07Å; N262-T283 VanDerWaalsContact O-N 3.09Å; N262-T283 PolarHBondContact O-OG1 3.12Å; N262-T283 VanDerWaalsContact O-OG1 3.14Å; R264-T283 HydrophobicContact CB-CG2 3.75Å; R264-T283 HydrophobicContact CG-CG2 3.65Å; Q281-T283 PolarHBondContact O-N 3.43Å
284D53.6Low46.1Very low8 Ų870 Ų704%0.04340%0.396CS..EExtended strand (participates in β ladder)trans-149.5134.9173.9-69.8-64000108.8H156 N262 F286 K297H156-D284 IonicContact CD2-OD2 2.76Å; H156-D284 IonicContact NE2-OD2 2.04Å; H156-D284 PolarHBondContact NE2-OD2 2.64Å; N262-D284 WeakPolarHBondContact CB-O 3.27Å; N262-D284 PolarHBondContact N-O 3.38Å; D284-F286 HydrophobicContact CB-CE2 3.72Å; D284-F286 HydrophobicContact CB-CZ 3.83Å; D284-K297 WeakPolarHBondContact OD1-CB 3.42Å; D284-K297 WeakPolarHBondContact OD1-CG 3.23Å; D284-K297 IonicContact OD1-NZ 2.68Å; D284-K297 PolarHBondContact OD1-NZ 3.36Å; D284-K297 IonicContact OD2-NZ 3.13Å; D284-K297 PolarHBondContact OD2-NZ 3.07Å
285N55.1Low46.3Very low24 Ų2467.9 Ų67.913%0.12836%0.363CS..EExtended strand (participates in β ladder)trans-110.1133.8172.8-65-32.9000109.2I260 F296I260-N285 WeakPolarHBondContact O-CA 3.5Å; N285-F296 HydrophobicContact CB-CB 4.44Å; N285-F296 PolarHBondContact N-O 3.02Å; N285-F296 PolarHBondContact O-N 3.03Å
286F53.4Low46.8Very low19 Ų1968 Ų688%0.08335%0.349CS..EExtended strand (participates in β ladder)trans-115135.2178.8-51.3-103.5000109.7V152 I260 D284 L293 I295V152-F286 HydrophobicContact CG1-CD2 4.37Å; V152-F286 HydrophobicContact CG1-CE1 4.31Å; V152-F286 HydrophobicContact CG1-CE2 3.99Å; V152-F286 HydrophobicContact CG1-CZ 3.96Å; I260-F286 HydrophobicContact CB-CB 4.15Å; I260-F286 HydrophobicContact CB-CD2 4.33Å; I260-F286 HydrophobicContact CG2-CD2 3.95Å; I260-F286 PolarHBondContact N-O 2.71Å; I260-F286 PolarHBondContact O-N 3.35Å; D284-F286 HydrophobicContact CB-CE2 3.72Å; D284-F286 HydrophobicContact CB-CZ 3.83Å; F286-L293 HydrophobicContact CB-CD1 4.41Å; F286-I295 HydrophobicContact CD1-CB 4.45Å; F286-I295 HydrophobicContact CD1-CD1 4.38Å; F286-I295 HydrophobicContact CD1-CG1 3.89Å; F286-I295 HydrophobicContact CD1-CG2 4.16Å; F286-I295 HydrophobicContact CE1-CD1 4.07Å; F286-I295 HydrophobicContact CE1-CG1 4.01Å; F286-I295 HydrophobicContact CE1-CG2 3.87Å; F286-I295 HydrophobicContact CZ-CG2 4.45Å
287L51.5Low46.8Very low7 Ų764.1 Ų64.14%0.03733%0.325CS..EExtended strand (participates in β ladder)trans-122.7118.8170.7-168.2149000108.6V30 F34 V257 I258 R294 F296V30-L287 HydrophobicContact CG1-CD1 3.44Å; V30-L287 VanDerWaalsContact CG1-CD1 3.44Å; F34-L287 HydrophobicContact CD2-CD1 4.37Å; F34-L287 HydrophobicContact CE1-CD2 4.23Å; F34-L287 HydrophobicContact CE2-CD1 3.66Å; F34-L287 HydrophobicContact CE2-CD2 4.39Å; F34-L287 HydrophobicContact CZ-CD1 3.89Å; F34-L287 HydrophobicContact CZ-CD2 3.74Å; F34-L287 HydrophobicContact CZ-CG 4.38Å; V257-L287 HydrophobicContact CG1-CD1 3.9Å; V257-L287 HydrophobicContact CG1-CD2 3.89Å; V257-L287 HydrophobicContact CG1-CG 3.74Å; I258-L287 WeakPolarHBondContact O-CA 3.5Å; L287-R294 PolarHBondContact N-O 3.11Å; L287-R294 PolarHBondContact O-N 2.88Å; L287-F296 HydrophobicContact CB-CE2 4.17Å
288K50Low46.6Very low98 Ų9865.6 Ų65.643%0.42632%0.324SS..EExtended strand (participates in β ladder)trans-116.2120.8176.7-165.4175.6-178.9-178.10110I258 N292 L293I258-K288 PolarHBondContact N-O 3.43Å; I258-K288 PolarHBondContact O-N 3.48Å; I258-K288 VanDerWaalsContact O-N 3.07Å; K288-N292 WeakPolarHBondContact CA-O 3.48Å; K288-L293 HydrophobicContact CB-CD1 3.91Å; K288-L293 HydrophobicContact CD-CD1 4.43Å; K288-L293 HydrophobicContact CG-CB 4.45Å; K288-L293 HydrophobicContact CG-CD1 4.19Å
289S46.5Very low46.1Very low21 Ų2173.5 Ų73.515%0.14735%0.347CS..EExtended strand (participates in β ladder)trans-97.6170.4161.667.50000109.8K256 S291 N292K256-S289 WeakPolarHBondContact O-CA 3.36Å; S289-S291 PolarHBondContact O-N 3.4Å; S289-S291 PolarHBondContact OG-N 3.37Å; S289-S291 PolarHBondContact OG-OG 3.46Å; S289-N292 PolarHBondContact N-O 3.3Å; S289-N292 PolarHBondContact O-N 3.17Å; S289-N292 PolarHBondContact OG-N 2.94Å; S289-N292 VanDerWaalsContact OG-N 3.16Å; S289-N292 PolarHBondContact OG-O 3Å
290E42.3Very low45.7Very low142 Ų14270.2 Ų70.266%0.66435%0.353SS*.SBendtrans-56.7-21.6173.8-62.3-169131.300113.3N255 K256N255-E290 VanDerWaalsContact CB-OE2 3.22Å; N255-E290 WeakPolarHBondContact CB-OE2 3.17Å; N255-E290 PolarHBondContact ND2-OE2 3.42Å; K256-E290 HydrophobicContact CB-CG 4.29Å
291S37.3Very low45.1Very low94 Ų9469.5 Ų69.566%0.65738%0.375SS*.SBendtrans-107.5-20.7-175.7550000115.6S289S289-S291 PolarHBondContact O-N 3.4Å; S289-S291 PolarHBondContact OG-N 3.37Å; S289-S291 PolarHBondContact OG-OG 3.46Å
292N39Very low44.5Very low80 Ų8070 Ų7043%0.42839%0.385SS..  trans-153.6145.9-175.2-77.5-85.6000113.4K288 S289K288-N292 WeakPolarHBondContact CA-O 3.48Å; S289-N292 PolarHBondContact N-O 3.3Å; S289-N292 PolarHBondContact O-N 3.17Å; S289-N292 PolarHBondContact OG-N 2.94Å; S289-N292 VanDerWaalsContact OG-N 3.16Å; S289-N292 PolarHBondContact OG-O 3Å
293L40.2Very low43.9Very low64 Ų6476.5 Ų76.534%0.33541%0.407SS..EExtended strand (participates in β ladder)trans-105119.1164.117767000109.3F286 K288F286-L293 HydrophobicContact CB-CD1 4.41Å; K288-L293 HydrophobicContact CB-CD1 3.91Å; K288-L293 HydrophobicContact CD-CD1 4.43Å; K288-L293 HydrophobicContact CG-CB 4.45Å; K288-L293 HydrophobicContact CG-CD1 4.19Å
294R49.6Very low43.5Very low103 Ų10377.1 Ų77.139%0.38941%0.413SS..EExtended strand (participates in β ladder)trans-110.5132.6170.8-62.5-172.8-155.3-1696110.4L287 F296L287-R294 PolarHBondContact N-O 3.11Å; L287-R294 PolarHBondContact O-N 2.88Å; R294-F296 HydrophobicContact CB-CE2 3.87Å; R294-F296 HydrophobicContact CB-CZ 4.11Å
295I46.3Very low43Very low44 Ų4479.9 Ų79.923%0.22644%0.437CS..EExtended strand (participates in β ladder)trans-104.2125.6175.3-49.9179.9000108.1F286F286-I295 HydrophobicContact CD1-CB 4.45Å; F286-I295 HydrophobicContact CD1-CD1 4.38Å; F286-I295 HydrophobicContact CD1-CG1 3.89Å; F286-I295 HydrophobicContact CD1-CG2 4.16Å; F286-I295 HydrophobicContact CE1-CD1 4.07Å; F286-I295 HydrophobicContact CE1-CG1 4.01Å; F286-I295 HydrophobicContact CE1-CG2 3.87Å; F286-I295 HydrophobicContact CZ-CG2 4.45Å
296F48.1Very low42.4Very low53 Ų5385.8 Ų85.823%0.23246%0.459CS..EExtended strand (participates in β ladder)trans-114.1102.9176-63.5-78.5000109.9F34 N285 L287 R294 A305F34-F296 HydrophobicContact CE2-CE2 4.41Å; F34-F296 HydrophobicContact CE2-CZ 4.25Å; F34-F296 HydrophobicContact CZ-CZ 4.49Å; N285-F296 HydrophobicContact CB-CB 4.44Å; N285-F296 PolarHBondContact N-O 3.02Å; N285-F296 PolarHBondContact O-N 3.03Å; L287-F296 HydrophobicContact CB-CE2 4.17Å; R294-F296 HydrophobicContact CB-CE2 3.87Å; R294-F296 HydrophobicContact CB-CZ 4.11Å; F296-A305 HydrophobicContact CD1-CB 4.42Å; F296-A305 HydrophobicContact CE1-CB 4.25Å
297K44.2Very low41.7Very low72 Ų7290.4 Ų90.431%0.31348%0.484SS..EExtended strand (participates in β ladder)trans-91.3128173.7-168.4169.5-153.183.80110.5D284D284-K297 WeakPolarHBondContact OD1-CB 3.42Å; D284-K297 WeakPolarHBondContact OD1-CG 3.23Å; D284-K297 IonicContact OD1-NZ 2.68Å; D284-K297 PolarHBondContact OD1-NZ 3.36Å; D284-K297 IonicContact OD2-NZ 3.13Å; D284-K297 PolarHBondContact OD2-NZ 3.07Å
298K40.9Very low41.3Very low126 Ų12696.6 Ų96.655%0.54851%0.511SS..EExtended strand (participates in β ladder)trans-99.183.5174.4-171.7-168.4175.8-167.60109.7P282P282-K298 HydrophobicContact CG-CD 4.35Å
299R36.4Very low40.5Very low187 Ų187103.4 Ų103.471%0.70655%0.55SS**  trans-81.9151.7156.8-83.5-173.3176.1167.31.4109G301 V302R299-G301 PolarHBondContact O-N 3.02Å; R299-V302 PolarHBondContact O-N 3.03Å
300G32.6Very low40.1Very low80 Ų80107.5 Ų107.583%0.82557%0.57SS**SBendtrans-52132-178.300000112.3V302G300-V302 PolarHBondContact O-N 3.44Å
301G34.3Very low40Very low89 Ų89105.7 Ų105.792%0.91857%0.566SS**SBendtrans75-31.3175.900000117.1R299R299-G301 PolarHBondContact O-N 3.02Å
302V31.8Very low40.2Very low111 Ų111106.3 Ų106.367%0.67356%0.56SS**  trans-133.2114.9-172.2-172.50000111.4R299 G300R299-V302 PolarHBondContact O-N 3.03Å; G300-V302 PolarHBondContact O-N 3.44Å
303R40.1Very low40.3Very low151 Ų151107.9 Ų107.957%0.5757%0.568SS**EExtended strand (participates in β ladder)trans-89128.9168.4-61.8-171.3-165-165.55.2109.2
304S39.4Very low40.3Very low47 Ų47110.6 Ų110.633%0.32958%0.583SS.*EExtended strand (participates in β ladder)trans-110.8137.5168.1-170.80000108.9Y306S304-Y306 VanDerWaalsContact OG-CE2 3.28Å; S304-Y306 WeakPolarHBondContact OG-CE2 3.47Å; S304-Y306 PolarHBondContact OG-OH 3.48Å
305A43.9Very low39.6Very low66 Ų66111.1 Ų111.155%0.54560%0.596SS.*EExtended strand (participates in β ladder)trans-108.9127.4175.200000108.8F296F296-A305 HydrophobicContact CD1-CB 4.42Å; F296-A305 HydrophobicContact CE1-CB 4.25Å
306Y42Very low39.2Very low148 Ų148115.9 Ų115.958%0.5862%0.622SS**EExtended strand (participates in β ladder)trans-115.3125.1176.8-61.9-84.7000109.4S304S304-Y306 VanDerWaalsContact OG-CE2 3.28Å; S304-Y306 WeakPolarHBondContact OG-CE2 3.47Å; S304-Y306 PolarHBondContact OG-OH 3.48Å
307N39.1Very low38.5Very low116 Ų116120.8 Ų120.862%0.6265%0.652SS**EExtended strand (participates in β ladder)trans-84.3128161.8-64.8-25.1000107.2
308K43.9Very low38Very low137 Ų137124.8 Ų124.860%0.59668%0.68SS**  trans-94.2116.6168.6-164.3170.2-178.7174.80107N155N155-K308 PolarHBondContact OD1-NZ 3.01Å
309L31.7Very low37.7Very low240 Ų240124.7 Ų124.7100%1.25769%0.693SS**  trans-66.60166.1-72.9167.8000110

Retrieved 309 of 309 residues in 164.4 ms (Link to these results)