A0A087WRN7_MOUSE Loading...

Secretoglobin, family 2B, member 27

AlphaFold DB , UniProt , Accession A0A087WRN7, Species MOUSE (Mus musculus, Mouse), Gene Scgb2b27, Length 82 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
1M43.7Very low56Low215 Ų21599.5 Ų99.5100%1.05953%0.533SS*.  064.10-63166.761.200110.7
2K52.3Low55.9Low141 Ų14194.4 Ų94.461%0.61351%0.508SS*.  trans-126.6-15.1-167.9-84.7-174.9168.9-171.70116.8
3G54.5Low56Low22 Ų2289.5 Ų89.523%0.22748%0.483CS..SBendtrans-83.2-18.8170.200000113.7L5 E55G3-L5 PolarHBondContact O-N 3.34Å; G3-E55 VanDerWaalsContact CA-OE1 3.27Å; G3-E55 WeakPolarHBondContact CA-OE1 3.36Å; G3-E55 VanDerWaalsContact O-OE1 3.14Å
4T55.4Low55.8Low85 Ų8588.2 Ų88.252%0.52150%0.501SS..Hα-helixtrans-66.6-26.1173.2-22.70000111.2L6 L8T4-L6 PolarHBondContact O-N 2.78Å; T4-L8 HydrophobicContact CG2-CD1 3.62Å; T4-L8 HydrophobicContact CG2-CG 4.48Å; T4-L8 WeakPolarHBondContact O-CA 3.27Å; T4-L8 WeakPolarHBondContact O-CB 3.03Å; T4-L8 WeakPolarHBondContact O-CD1 3.09Å; T4-L8 WeakPolarHBondContact O-CG 3.45Å; T4-L8 PolarHBondContact O-N 3.49Å
5L58.2Low55.3Low111 Ų11193.7 Ų93.758%0.58152%0.521SS*.Hα-helixtrans-71.1-28.7-172.7-108150.4000114G3 A9G3-L5 PolarHBondContact O-N 3.34Å; L5-A9 WeakPolarHBondContact O-CA 3.06Å; L5-A9 WeakPolarHBondContact O-CB 3.43Å; L5-A9 PolarHBondContact O-N 2.76Å
6L63Low55Low55 Ų5595.5 Ų95.529%0.28853%0.528SS..Hα-helixtrans-82.9-41.9-178.3-140.3160.2000111.1T4 A9 L10 E55T4-L6 PolarHBondContact O-N 2.78Å; L6-A9 PolarHBondContact O-N 2.68Å; L6-L10 HydrophobicContact CD2-CD1 4.21Å; L6-L10 WeakPolarHBondContact O-CG 3.31Å; L6-L10 PolarHBondContact O-N 3.25Å; L6-E55 WeakPolarHBondContact CB-OE1 3.21Å
7L57.2Low54.8Low120 Ų12093.9 Ų93.963%0.62854%0.539SS*.Hα-helixtrans-66.8-42168.5-89.7165.3000112.2L10 L11L7-L10 PolarHBondContact O-N 3.08Å; L7-L11 PolarHBondContact O-N 3.29Å
8L55.8Low54.5Low90 Ų9095.1 Ų95.147%0.47154%0.537SS..Hα-helixtrans-59.1-52.4169.7-93148000108.9T4 L10 L11 V12T4-L8 HydrophobicContact CG2-CD1 3.62Å; T4-L8 HydrophobicContact CG2-CG 4.48Å; T4-L8 WeakPolarHBondContact O-CA 3.27Å; T4-L8 WeakPolarHBondContact O-CB 3.03Å; T4-L8 WeakPolarHBondContact O-CD1 3.09Å; T4-L8 WeakPolarHBondContact O-CG 3.45Å; T4-L8 PolarHBondContact O-N 3.49Å; L8-L10 VanDerWaalsContact C-N 3.26Å; L8-L10 PolarHBondContact O-N 2.94Å; L8-L11 CarbonylContact O-C 3.58Å; L8-L11 PolarHBondContact O-N 3.37Å; L8-L11 VanDerWaalsContact O-N 3.08Å; L8-V12 HydrophobicContact CB-CG2 4.42Å; L8-V12 HydrophobicContact CD2-CG2 4.07Å; L8-V12 WeakPolarHBondContact O-CA 3.43Å; L8-V12 WeakPolarHBondContact O-CB 3Å; L8-V12 WeakPolarHBondContact O-CG2 3.42Å; L8-V12 PolarHBondContact O-N 3.23Å
9A61.4Low54.3Low44 Ų4497.2 Ų97.236%0.36454%0.542SS..Hα-helixtrans-55.2-40.1179.600000112.4L5 L6 T13L5-A9 WeakPolarHBondContact O-CA 3.06Å; L5-A9 WeakPolarHBondContact O-CB 3.43Å; L5-A9 PolarHBondContact O-N 2.76Å; L6-A9 PolarHBondContact O-N 2.68Å; A9-T13 WeakPolarHBondContact O-CB 3.22Å; A9-T13 WeakPolarHBondContact O-CG2 3.43Å; A9-T13 PolarHBondContact O-N 3.4Å; A9-T13 PolarHBondContact O-OG1 3.42Å; A9-T13 VanDerWaalsContact O-OG1 3.11Å
10L58.9Low54.4Low94 Ų9497.6 Ų97.649%0.49255%0.547SS..Hα-helixtrans-66.9-45.3174.7-77164000112.7L6 L7 L8 T13L6-L10 HydrophobicContact CD2-CD1 4.21Å; L6-L10 WeakPolarHBondContact O-CG 3.31Å; L6-L10 PolarHBondContact O-N 3.25Å; L7-L10 PolarHBondContact O-N 3.08Å; L8-L10 VanDerWaalsContact C-N 3.26Å; L8-L10 PolarHBondContact O-N 2.94Å; L10-T13 WeakPolarHBondContact CA-OG1 3.38Å; L10-T13 PolarHBondContact O-N 3.14Å; L10-T13 PolarHBondContact O-OG1 3.4Å
11L55.6Low54.5Low118 Ų11897.7 Ų97.762%0.61855%0.55SS**Hα-helixtrans-63.8-44.3174.3-110.9102.8000112.2L7 L8 G14 E15L7-L11 PolarHBondContact O-N 3.29Å; L8-L11 CarbonylContact O-C 3.58Å; L8-L11 PolarHBondContact O-N 3.37Å; L8-L11 VanDerWaalsContact O-N 3.08Å; L11-G14 PolarHBondContact O-N 3.06Å; L11-E15 PolarHBondContact O-N 3.44Å
12V54.8Low55.3Low38 Ų3893.5 Ų93.523%0.2353%0.528CS..Hα-helixtrans-63.8-36.6177.5152.20000110.4L8 G14 E15 L16L8-V12 HydrophobicContact CB-CG2 4.42Å; L8-V12 HydrophobicContact CD2-CG2 4.07Å; L8-V12 WeakPolarHBondContact O-CA 3.43Å; L8-V12 WeakPolarHBondContact O-CB 3Å; L8-V12 WeakPolarHBondContact O-CG2 3.42Å; L8-V12 PolarHBondContact O-N 3.23Å; V12-G14 PolarHBondContact O-N 3.3Å; V12-E15 PolarHBondContact O-N 2.7Å; V12-E15 VanDerWaalsContact O-N 3.12Å; V12-L16 HydrophobicContact CB-CD1 3.74Å; V12-L16 HydrophobicContact CG1-CB 3.98Å; V12-L16 HydrophobicContact CG1-CD1 3.14Å; V12-L16 HydrophobicContact CG1-CG 4.08Å; V12-L16 HydrophobicContact CG2-CD1 3.73Å; V12-L16 WeakPolarHBondContact O-CA 3.33Å; V12-L16 VanDerWaalsContact O-CB 3.22Å; V12-L16 WeakPolarHBondContact O-CB 3.34Å; V12-L16 PolarHBondContact O-N 3.12Å
13T57.5Low55.9Low31 Ų3188.3 Ų88.319%0.1951%0.512CS..Hα-helixtrans-65.3-26.4176.952.20000113.2A9 L10 F18 A23A9-T13 WeakPolarHBondContact O-CB 3.22Å; A9-T13 WeakPolarHBondContact O-CG2 3.43Å; A9-T13 PolarHBondContact O-N 3.4Å; A9-T13 PolarHBondContact O-OG1 3.42Å; A9-T13 VanDerWaalsContact O-OG1 3.11Å; L10-T13 WeakPolarHBondContact CA-OG1 3.38Å; L10-T13 PolarHBondContact O-N 3.14Å; L10-T13 PolarHBondContact O-OG1 3.4Å; T13-F18 HydrophobicContact CG2-CB 3.78Å; T13-F18 HydrophobicContact CG2-CG 4.34Å; T13-A23 HydrophobicContact CG2-CB 4.13Å
14G53.1Low56.8Low71 Ų7190.5 Ų90.573%0.73252%0.522SS*.Hα-helixtrans-77-31.6171.100000113.8L11 V12L11-G14 PolarHBondContact O-N 3.06Å; V12-G14 PolarHBondContact O-N 3.3Å
15E48.3Very low58Low170 Ų17089.7 Ų89.779%0.79452%0.524SS*.Hα-helixtrans-101.4-21.8-175.1-66.4-165.6163.200115.3L11 V12L11-E15 PolarHBondContact O-N 3.44Å; V12-E15 PolarHBondContact O-N 2.7Å; V12-E15 VanDerWaalsContact O-N 3.12Å
16L50.5Low59.2Low123 Ų12386.4 Ų86.464%0.64451%0.51SS*.SBendtrans-112.96-171.5-75.1157.2000114.6V12 F18V12-L16 HydrophobicContact CB-CD1 3.74Å; V12-L16 HydrophobicContact CG1-CB 3.98Å; V12-L16 HydrophobicContact CG1-CD1 3.14Å; V12-L16 HydrophobicContact CG1-CG 4.08Å; V12-L16 HydrophobicContact CG2-CD1 3.73Å; V12-L16 WeakPolarHBondContact O-CA 3.33Å; V12-L16 VanDerWaalsContact O-CB 3.22Å; V12-L16 WeakPolarHBondContact O-CB 3.34Å; V12-L16 PolarHBondContact O-N 3.12Å; L16-F18 PolarHBondContact O-N 3.03Å; L16-F18 VanDerWaalsContact O-N 3.14Å
17G51.6Low60.2Low69 Ų6988.6 Ų88.671%0.71152%0.517SS*.  trans60.428.8172.200000114.3Q19G17-Q19 PolarHBondContact O-N 3.3Å
18F48.8Very low61.5Low114 Ų11485.6 Ų85.650%0.550%0.504SS..  trans-53.5137.7166.4-129-90.4000107.8T13 L16 T20T13-F18 HydrophobicContact CG2-CB 3.78Å; T13-F18 HydrophobicContact CG2-CG 4.34Å; L16-F18 PolarHBondContact O-N 3.03Å; L16-F18 VanDerWaalsContact O-N 3.14Å; F18-T20 PolarHBondContact O-N 3.23Å
19Q50.9Low63.1Low136 Ų13682.2 Ų82.264%0.63649%0.49SS*.  trans-54.7108176.4-85.4-170.625.300108.4G17 T21 E22G17-Q19 PolarHBondContact O-N 3.3Å; Q19-T21 PolarHBondContact O-N 2.72Å; Q19-E22 HydrophobicContact CB-CG 4.43Å; Q19-E22 PolarHBondContact O-N 2.72Å
20T55.6Low64.5Low104 Ų10480.5 Ų80.564%0.63848%0.476SS*.Hα-helixtrans-53.6-27-178.648.30000111.3F18 E22 A23 C24F18-T20 PolarHBondContact O-N 3.23Å; T20-E22 PolarHBondContact O-N 3.31Å; T20-A23 PolarHBondContact O-N 2.96Å; T20-C24 WeakPolarHBondContact O-CB 3.43Å; T20-C24 PolarHBondContact O-N 2.76Å
21T57.9Low65.9Low100 Ų10077.7 Ų77.761%0.61346%0.459SS*.Hα-helixtrans-53.5-43.5171.2-330000113.6Q19Q19-T21 PolarHBondContact O-N 2.72Å
22E59.8Low67.6Low128 Ų12876 Ų7660%0.59845%0.454SS*.Hα-helixtrans-77.6-29.6-176-66.4-159.7152.600113Q19 T20 P26Q19-E22 HydrophobicContact CB-CG 4.43Å; Q19-E22 PolarHBondContact O-N 2.72Å; T20-E22 PolarHBondContact O-N 3.31Å; E22-P26 WeakPolarHBondContact O-CD 3.48Å; E22-P26 VanDerWaalsContact O-CG 3.3Å; E22-P26 WeakPolarHBondContact O-CG 3.47Å
23A65.5Low69.4Low32 Ų3278 Ų7826%0.26446%0.459SS..Hα-helixtrans-84.6-26.3175.900000112.7T13 T20 P26 F27T13-A23 HydrophobicContact CG2-CB 4.13Å; T20-A23 PolarHBondContact O-N 2.96Å; A23-P26 WeakPolarHBondContact O-CD 3Å; A23-F27 WeakPolarHBondContact O-CB 3.33Å; A23-F27 PolarHBondContact O-N 3.11Å; A23-F27 VanDerWaalsContact O-N 3.12Å
24C73Confident71.2Confident67 Ų6777 Ų7745%0.45345%0.453SS..Hα-helixtrans-64.9-44.5-179.8-1760000112.2T20 F27 V28T20-C24 WeakPolarHBondContact O-CB 3.43Å; T20-C24 PolarHBondContact O-N 2.76Å; C24-F27 PolarHBondContact O-N 2.76Å; C24-V28 WeakPolarHBondContact O-CB 3.36Å; C24-V28 VanDerWaalsContact O-CG2 3.3Å; C24-V28 WeakPolarHBondContact O-CG2 3.35Å; C24-V28 PolarHBondContact O-N 3.08Å
25A80.1Confident73Confident68 Ų6874.7 Ų74.756%0.56242%0.423SS*.Hα-helixtrans-63.1-45.8179.900000113.4F27 G29A25-F27 PolarHBondContact O-N 2.8Å; A25-G29 PolarHBondContact O-N 3.12Å
26P84.8Confident75Confident42 Ų4269.5 Ų69.527%0.27342%0.415SS..Hα-helixtrans-55.8-44.5169.4-3036.7000114.2E22 A23 G29 A30 Y45 F49E22-P26 WeakPolarHBondContact O-CD 3.48Å; E22-P26 VanDerWaalsContact O-CG 3.3Å; E22-P26 WeakPolarHBondContact O-CG 3.47Å; A23-P26 WeakPolarHBondContact O-CD 3Å; P26-G29 PolarHBondContact O-N 3.41Å; P26-A30 PolarHBondContact O-N 3.3Å; P26-Y45 WeakPolarHBondContact CA-OH 3.32Å; P26-Y45 WeakPolarHBondContact O-CE1 3.41Å; P26-Y45 PolarHBondContact O-OH 2.85Å; P26-Y45 VanDerWaalsContact O-OH 3.05Å; P26-F49 HydrophobicContact CB-CE1 3.93Å; P26-F49 HydrophobicContact CB-CZ 3.79Å; P26-F49 HydrophobicContact CG-CE1 4.08Å; P26-F49 HydrophobicContact CG-CZ 4.16Å
27F83.6Confident77Confident102 Ų10264.7 Ų64.745%0.44740%0.395SS..Hα-helixtrans-64.7-51.6-179.9172.6-97.6000111.9A23 C24 A25 G29 A30 Y31 M81A23-F27 WeakPolarHBondContact O-CB 3.33Å; A23-F27 PolarHBondContact O-N 3.11Å; A23-F27 VanDerWaalsContact O-N 3.12Å; C24-F27 PolarHBondContact O-N 2.76Å; A25-F27 PolarHBondContact O-N 2.8Å; F27-G29 VanDerWaalsContact C-N 3.28Å; F27-G29 PolarHBondContact O-N 3.45Å; F27-A30 PolarHBondContact O-N 3.46Å; F27-Y31 WeakPolarHBondContact O-CB 3.17Å; F27-Y31 PolarHBondContact O-N 3.26Å; F27-M81 HydrophobicContact CE1-CE 4.4Å; F27-M81 HydrophobicContact CE1-CG 4.39Å; F27-M81 HydrophobicContact CE1-SD 3.54Å; F27-M81 VanDerWaalsContact CE1-SD 3.54Å; F27-M81 HydrophobicContact CZ-SD 4.01Å
28V85.1Confident79Confident57 Ų5765.5 Ų65.535%0.34538%0.383SS..Hα-helixtrans-61.3-40.2177.7173.50000110.5C24 Y31 V32 M81C24-V28 WeakPolarHBondContact O-CB 3.36Å; C24-V28 VanDerWaalsContact O-CG2 3.3Å; C24-V28 WeakPolarHBondContact O-CG2 3.35Å; C24-V28 PolarHBondContact O-N 3.08Å; V28-Y31 PolarHBondContact O-N 3.4Å; V28-V32 HydrophobicContact CG1-CG2 4.38Å; V28-V32 WeakPolarHBondContact O-CG2 3.24Å; V28-V32 PolarHBondContact O-N 3.19Å; V28-M81 HydrophobicContact CG2-CE 4.49Å
29G88.4Confident81.2Confident18 Ų1864.7 Ų64.719%0.18638%0.377CS..Hα-helixtrans-60.1-47.6175.400000112.4A25 P26 F27 Y31 V32 K33 Y45A25-G29 PolarHBondContact O-N 3.12Å; P26-G29 PolarHBondContact O-N 3.41Å; F27-G29 VanDerWaalsContact C-N 3.28Å; F27-G29 PolarHBondContact O-N 3.45Å; G29-Y31 VanDerWaalsContact C-N 3.35Å; G29-Y31 PolarHBondContact O-N 2.88Å; G29-V32 PolarHBondContact O-N 3.23Å; G29-K33 WeakPolarHBondContact O-CG 3.45Å; G29-K33 PolarHBondContact O-N 3.15Å; G29-Y45 WeakPolarHBondContact CA-OH 3.45Å
30A89.9Confident83.4Confident9 Ų965 Ų657%0.07438%0.383CS..Hα-helixtrans-60.5-45.2175.200000111.3P26 F27 V32 K33 I34 Y45 F59P26-A30 PolarHBondContact O-N 3.3Å; F27-A30 PolarHBondContact O-N 3.46Å; A30-V32 PolarHBondContact O-N 2.82Å; A30-K33 PolarHBondContact O-N 3.06Å; A30-K33 VanDerWaalsContact O-N 3.15Å; A30-I34 WeakPolarHBondContact O-CG1 3.34Å; A30-I34 PolarHBondContact O-N 2.99Å; A30-Y45 HydrophobicContact CB-CD1 4.15Å; A30-Y45 HydrophobicContact CB-CE1 3.84Å; A30-F59 HydrophobicContact CB-CE1 4.11Å
31Y89.3Confident85.2Confident35 Ų3561.6 Ų61.614%0.13737%0.365CS..Hα-helixtrans-59.3-45.2179.6-178-103000113F27 V28 G29 K33 I34 L35 S77 P78 M81F27-Y31 WeakPolarHBondContact O-CB 3.17Å; F27-Y31 PolarHBondContact O-N 3.26Å; V28-Y31 PolarHBondContact O-N 3.4Å; G29-Y31 VanDerWaalsContact C-N 3.35Å; G29-Y31 PolarHBondContact O-N 2.88Å; Y31-K33 VanDerWaalsContact C-N 3.3Å; Y31-K33 PolarHBondContact O-N 3.24Å; Y31-I34 WeakPolarHBondContact O-CB 3.42Å; Y31-I34 PolarHBondContact O-N 3.1Å; Y31-L35 HydrophobicContact CD1-CD1 3.95Å; Y31-L35 HydrophobicContact CD1-CG 4.4Å; Y31-L35 HydrophobicContact CE1-CD1 3.37Å; Y31-L35 HydrophobicContact CE1-CG 4.05Å; Y31-L35 PolarHBondContact O-N 3.23Å; Y31-S77 WeakPolarHBondContact OH-CB 3.32Å; Y31-S77 PolarHBondContact OH-O 3.14Å; Y31-P78 HydrophobicContact CE1-CG 4.29Å; Y31-M81 HydrophobicContact CD1-CE 3.16Å; Y31-M81 HydrophobicContact CD1-SD 3.72Å; Y31-M81 HydrophobicContact CD2-CE 4.4Å; Y31-M81 HydrophobicContact CD2-SD 3.87Å; Y31-M81 HydrophobicContact CE1-CE 3.39Å; Y31-M81 HydrophobicContact CE1-SD 3.76Å; Y31-M81 HydrophobicContact CE2-SD 3.93Å; Y31-M81 HydrophobicContact CG-CE 3.7Å; Y31-M81 HydrophobicContact CG-SD 3.74Å
32V91.1Very high87Confident82 Ų8256.9 Ų56.950%0.49734%0.336SS..Hα-helixtrans-62.6-37.8176.3170.70000111.4V28 G29 A30 L35 G36V28-V32 HydrophobicContact CG1-CG2 4.38Å; V28-V32 WeakPolarHBondContact O-CG2 3.24Å; V28-V32 PolarHBondContact O-N 3.19Å; G29-V32 PolarHBondContact O-N 3.23Å; A30-V32 PolarHBondContact O-N 2.82Å; V32-L35 PolarHBondContact O-N 2.92Å; V32-G36 PolarHBondContact O-N 3.42Å
33K93.7Very high88.7Confident81 Ų8152.1 Ų52.135%0.35231%0.314SS..Hα-helixtrans-68-35.9176.1-61.6-55.7178.5-1730112.4G29 A30 Y31 G36 G37 A41 L42 Y45 Q63G29-K33 WeakPolarHBondContact O-CG 3.45Å; G29-K33 PolarHBondContact O-N 3.15Å; A30-K33 PolarHBondContact O-N 3.06Å; A30-K33 VanDerWaalsContact O-N 3.15Å; Y31-K33 VanDerWaalsContact C-N 3.3Å; Y31-K33 PolarHBondContact O-N 3.24Å; K33-G36 PolarHBondContact O-N 3.41Å; K33-G37 PolarHBondContact O-N 3.42Å; K33-A41 HydrophobicContact CD-CB 4.14Å; K33-L42 HydrophobicContact CB-CB 4.32Å; K33-L42 HydrophobicContact CB-CD1 4.06Å; K33-Y45 HydrophobicContact CG-CG 4.25Å; K33-Q63 PolarHBondContact O-NE2 2.93Å
34I93.4Very high90.1Very high9 Ų953.4 Ų53.45%0.04633%0.325CS..Hα-helixtrans-60-54.9172.3-68.2168.3000109.6A30 Y31 G36 G37 L42 F59 I62 Q63 F66A30-I34 WeakPolarHBondContact O-CG1 3.34Å; A30-I34 PolarHBondContact O-N 2.99Å; Y31-I34 WeakPolarHBondContact O-CB 3.42Å; Y31-I34 PolarHBondContact O-N 3.1Å; I34-G36 VanDerWaalsContact C-N 3.26Å; I34-G36 PolarHBondContact O-N 3.11Å; I34-G37 PolarHBondContact O-N 3.42Å; I34-L42 HydrophobicContact CG1-CD1 4.1Å; I34-F59 HydrophobicContact CD1-CD1 3.75Å; I34-F59 HydrophobicContact CD1-CE1 4.11Å; I34-F59 HydrophobicContact CG1-CD1 4.32Å; I34-I62 HydrophobicContact CD1-CG2 4.12Å; I34-I62 HydrophobicContact CG2-CG2 3.81Å; I34-Q63 HydrophobicContact CG2-CB 4.28Å; I34-F66 HydrophobicContact CG2-CD2 3.5Å; I34-F66 VanDerWaalsContact CG2-CD2 3.5Å; I34-F66 HydrophobicContact CG2-CE2 4.03Å; I34-F66 HydrophobicContact CG2-CG 4.34Å
35L92.1Very high91Very high23 Ų2352 Ų5212%0.1231%0.31CS..Hα-helixtrans-59.3-38.1-179.5-67.4-176.7000112.7Y31 V32 G37 F66 K74 P78Y31-L35 HydrophobicContact CD1-CD1 3.95Å; Y31-L35 HydrophobicContact CD1-CG 4.4Å; Y31-L35 HydrophobicContact CE1-CD1 3.37Å; Y31-L35 HydrophobicContact CE1-CG 4.05Å; Y31-L35 PolarHBondContact O-N 3.23Å; V32-L35 PolarHBondContact O-N 2.92Å; L35-G37 PolarHBondContact O-N 2.86Å; L35-F66 HydrophobicContact CD2-CD1 3.51Å; L35-F66 HydrophobicContact CD2-CD2 4.34Å; L35-F66 HydrophobicContact CD2-CE1 3.57Å; L35-F66 HydrophobicContact CD2-CE2 4.39Å; L35-F66 HydrophobicContact CD2-CG 3.92Å; L35-F66 HydrophobicContact CD2-CZ 4.02Å; L35-K74 PolarHBondContact O-NZ 3Å; L35-P78 HydrophobicContact CD1-CG 3.66Å
36G90.6Very high91.5Very high60 Ų6049 Ų4962%0.61929%0.285SS*.THydrogen-bonded Turntrans-64.3-14.7177.900000114.9V32 K33 I34 N38V32-G36 PolarHBondContact O-N 3.42Å; K33-G36 PolarHBondContact O-N 3.41Å; I34-G36 VanDerWaalsContact C-N 3.26Å; I34-G36 PolarHBondContact O-N 3.11Å; G36-N38 PolarHBondContact O-N 2.98Å
37G91.9Very high91.9Very high22 Ų2249.6 Ų49.623%0.22729%0.29CS..  trans70.9-1.2171.200000116.4K33 I34 L35 N67K33-G37 PolarHBondContact O-N 3.42Å; I34-G37 PolarHBondContact O-N 3.42Å; L35-G37 PolarHBondContact O-N 2.86Å; G37-N67 WeakPolarHBondContact CA-OD1 3.4Å; G37-N67 PolarHBondContact O-ND2 3.46Å
38N94.5Very high92.1Very high87 Ų8751.5 Ų51.547%0.46530%0.302SS..  trans-89.9113.3-178.7-174.9-45.6000111.3G36 L40 A41 L42 Q63G36-N38 PolarHBondContact O-N 2.98Å; N38-L40 PolarHBondContact O-N 2.76Å; N38-L40 WeakPolarHBondContact OD1-CB 3.35Å; N38-L40 PolarHBondContact OD1-N 3.45Å; N38-A41 HydrophobicContact CB-CB 3.97Å; N38-A41 PolarHBondContact O-N 2.81Å; N38-A41 PolarHBondContact OD1-N 2.71Å; N38-L42 PolarHBondContact O-N 2.7Å; N38-Q63 PolarHBondContact O-NE2 3.33Å
39R94.6Very high92.2Very high96 Ų9653.1 Ų53.136%0.36231%0.305SS..Hα-helixtrans-61.6-40.2-178.1-152.891.2165.8-171.6-3.4113.5N43 E60 D64R39-N43 WeakPolarHBondContact O-CB 3.39Å; R39-N43 PolarHBondContact O-N 3.35Å; R39-N43 PolarHBondContact O-ND2 3.34Å; R39-E60 HydrophobicContact CG-CG 4.5Å; R39-E60 VanDerWaalsContact CZ-CG 3.44Å; R39-E60 IonicContact CZ-OE1 3.84Å; R39-E60 IonicContact CZ-OE2 3.93Å; R39-E60 VanDerWaalsContact CZ-OE2 3.31Å; R39-E60 VanDerWaalsContact NE-CG 3.25Å; R39-E60 IonicContact NE-OE1 3.31Å; R39-E60 PolarHBondContact NE-OE1 2.81Å; R39-E60 VanDerWaalsContact NE-OE1 3.1Å; R39-E60 IonicContact NE-OE2 3.1Å; R39-E60 PolarHBondContact NE-OE2 3.03Å; R39-E60 IonicContact NH2-OE1 3.95Å; R39-E60 IonicContact NH2-OE2 2.81Å; R39-E60 PolarHBondContact NH2-OE2 2.74Å; R39-D64 IonicContact CZ-OD2 2.71Å; R39-D64 IonicContact NH1-OD1 2.81Å; R39-D64 PolarHBondContact NH1-OD1 3.1Å; R39-D64 IonicContact NH1-OD2 3.86Å; R39-D64 PolarHBondContact NH1-OD2 3.01Å; R39-D64 IonicContact NH2-OD2 3.35Å
40L95.9Very high92Very high144 Ų14459.1 Ų59.175%0.75433%0.328SS*.Hα-helixtrans-66.5-44.2178.8-80.6160.6000110.6N38 N43 A44N38-L40 PolarHBondContact O-N 2.76Å; N38-L40 WeakPolarHBondContact OD1-CB 3.35Å; N38-L40 PolarHBondContact OD1-N 3.45Å; L40-N43 PolarHBondContact O-N 2.97Å; L40-A44 VanDerWaalsContact O-CB 3.25Å; L40-A44 WeakPolarHBondContact O-CB 3.36Å; L40-A44 PolarHBondContact O-N 3.33Å
41A95.1Very high91.8Very high32 Ų3259 Ų5926%0.26433%0.327SS..Hα-helixtrans-65.1-40.4179.500000112K33 N38 Y45K33-A41 HydrophobicContact CD-CB 4.14Å; N38-A41 HydrophobicContact CB-CB 3.97Å; N38-A41 PolarHBondContact O-N 2.81Å; N38-A41 PolarHBondContact OD1-N 2.71Å; A41-Y45 WeakPolarHBondContact O-CB 3.35Å; A41-Y45 PolarHBondContact O-N 3.46Å; A41-Y45 VanDerWaalsContact O-N 3.14Å
42L95Very high91.9Very high0 Ų059.5 Ų59.50%033%0.333CS..Hα-helixtrans-63.5-50.7174.5177.661.1000111.3K33 I34 N38 A44 Y45 L46 F59 E60 Q63K33-L42 HydrophobicContact CB-CB 4.32Å; K33-L42 HydrophobicContact CB-CD1 4.06Å; I34-L42 HydrophobicContact CG1-CD1 4.1Å; N38-L42 PolarHBondContact O-N 2.7Å; L42-A44 PolarHBondContact O-N 3Å; L42-Y45 WeakPolarHBondContact O-CB 3.3Å; L42-Y45 PolarHBondContact O-N 3.28Å; L42-L46 HydrophobicContact CD1-CD1 4.06Å; L42-L46 HydrophobicContact CD1-CG 4.19Å; L42-L46 HydrophobicContact CG-CD1 4.03Å; L42-L46 WeakPolarHBondContact O-CG 3.44Å; L42-L46 PolarHBondContact O-N 3.12Å; L42-F59 HydrophobicContact CD1-CB 4.39Å; L42-F59 HydrophobicContact CD2-CB 4.19Å; L42-E60 HydrophobicContact CD2-CG 4.34Å; L42-Q63 HydrophobicContact CD2-CB 3.97Å; L42-Q63 HydrophobicContact CD2-CG 4.46Å
43N94.8Very high91.9Very high29 Ų2959.3 Ų59.316%0.15534%0.34CS..Hα-helixtrans-65-37.1-179.9-85.6-67.7000113.6R39 L40 Y45 L46 S47 R56 E60R39-N43 WeakPolarHBondContact O-CB 3.39Å; R39-N43 PolarHBondContact O-N 3.35Å; R39-N43 PolarHBondContact O-ND2 3.34Å; L40-N43 PolarHBondContact O-N 2.97Å; N43-Y45 VanDerWaalsContact C-N 3.31Å; N43-L46 PolarHBondContact O-N 3.44Å; N43-S47 WeakPolarHBondContact O-CB 3.49Å; N43-S47 PolarHBondContact O-N 2.99Å; N43-S47 PolarHBondContact O-OG 2.95Å; N43-R56 PolarHBondContact OD1-NH1 3.32Å; N43-E60 PolarHBondContact ND2-OE1 3.43Å
44A94.6Very high91.8Very high58 Ų5859.1 Ų59.148%0.47935%0.354SS..Hα-helixtrans-61.5-43174.400000111L40 L42 S47L40-A44 VanDerWaalsContact O-CB 3.25Å; L40-A44 WeakPolarHBondContact O-CB 3.36Å; L40-A44 PolarHBondContact O-N 3.33Å; L42-A44 PolarHBondContact O-N 3Å; A44-S47 WeakPolarHBondContact O-CB 3.47Å; A44-S47 PolarHBondContact O-N 3.21Å
45Y92.5Very high91.5Very high38 Ų3859.9 Ų59.915%0.14936%0.357CS..Hα-helixtrans-63.9-49.6176.7-169.7-101.8000112.2P26 G29 A30 K33 A41 L42 N43 S47 M48 F49P26-Y45 WeakPolarHBondContact CA-OH 3.32Å; P26-Y45 WeakPolarHBondContact O-CE1 3.41Å; P26-Y45 PolarHBondContact O-OH 2.85Å; P26-Y45 VanDerWaalsContact O-OH 3.05Å; G29-Y45 WeakPolarHBondContact CA-OH 3.45Å; A30-Y45 HydrophobicContact CB-CD1 4.15Å; A30-Y45 HydrophobicContact CB-CE1 3.84Å; K33-Y45 HydrophobicContact CG-CG 4.25Å; A41-Y45 WeakPolarHBondContact O-CB 3.35Å; A41-Y45 PolarHBondContact O-N 3.46Å; A41-Y45 VanDerWaalsContact O-N 3.14Å; L42-Y45 WeakPolarHBondContact O-CB 3.3Å; L42-Y45 PolarHBondContact O-N 3.28Å; N43-Y45 VanDerWaalsContact C-N 3.31Å; Y45-S47 PolarHBondContact O-N 3.37Å; Y45-M48 HydrophobicContact CD2-SD 4.35Å; Y45-M48 VanDerWaalsContact O-CB 3.31Å; Y45-M48 WeakPolarHBondContact O-CB 3.37Å; Y45-M48 PolarHBondContact O-N 3.2Å; Y45-F49 HydrophobicContact CD1-CE2 4.05Å; Y45-F49 HydrophobicContact CE1-CD2 4.37Å; Y45-F49 AromaticContact CE1-CE2 3.56Å; Y45-F49 HydrophobicContact CE1-CE2 3.56Å; Y45-F49 HydrophobicContact CE1-CZ 4.33Å; Y45-F49 HydrophobicContact CE2-CE2 4.26Å; Y45-F49 AromaticContact CZ-CE2 3.69Å; Y45-F49 WeakPolarHBondContact O-CD2 3.34Å
46L91.4Very high91.5Very high5 Ų562 Ų623%0.02636%0.364CS..Hα-helixtrans-62-27.1178.1-66.7176.2000113.1L42 N43 M48 F49 Q50 A51 R56 F59L42-L46 HydrophobicContact CD1-CD1 4.06Å; L42-L46 HydrophobicContact CD1-CG 4.19Å; L42-L46 HydrophobicContact CG-CD1 4.03Å; L42-L46 WeakPolarHBondContact O-CG 3.44Å; L42-L46 PolarHBondContact O-N 3.12Å; N43-L46 PolarHBondContact O-N 3.44Å; L46-M48 VanDerWaalsContact C-N 3.27Å; L46-M48 PolarHBondContact O-N 3.3Å; L46-F49 PolarHBondContact O-N 3.18Å; L46-F49 VanDerWaalsContact O-N 3.15Å; L46-Q50 PolarHBondContact O-N 2.98Å; L46-A51 HydrophobicContact CB-CB 3.77Å; L46-A51 WeakPolarHBondContact O-CB 3.39Å; L46-A51 PolarHBondContact O-N 3.43Å; L46-A51 VanDerWaalsContact O-N 3.14Å; L46-R56 HydrophobicContact CD1-CG 4.2Å; L46-F59 HydrophobicContact CD1-CB 3.71Å; L46-F59 HydrophobicContact CD1-CD2 4.05Å; L46-F59 HydrophobicContact CD1-CG 3.93Å; L46-F59 HydrophobicContact CD2-CD1 4.35Å; L46-F59 HydrophobicContact CD2-CD2 3.85Å; L46-F59 HydrophobicContact CD2-CE1 4.48Å; L46-F59 HydrophobicContact CD2-CE2 4Å; L46-F59 HydrophobicContact CD2-CG 4.05Å; L46-F59 HydrophobicContact CD2-CZ 4.32Å
47S91.6Very high91.7Very high54 Ų5462.5 Ų62.538%0.37835%0.354SS..Hα-helixtrans-66.2-29.2175.9-59.80000112.7N43 A44 Y45 F49 Q50 R56N43-S47 WeakPolarHBondContact O-CB 3.49Å; N43-S47 PolarHBondContact O-N 2.99Å; N43-S47 PolarHBondContact O-OG 2.95Å; A44-S47 WeakPolarHBondContact O-CB 3.47Å; A44-S47 PolarHBondContact O-N 3.21Å; Y45-S47 PolarHBondContact O-N 3.37Å; S47-F49 PolarHBondContact O-N 3.49Å; S47-Q50 PolarHBondContact O-N 3.14Å; S47-Q50 VanDerWaalsContact O-N 3.11Å; S47-R56 PolarHBondContact OG-NH1 3.12Å; S47-R56 PolarHBondContact OG-NH2 3.1Å
48M88.7Confident91.7Very high143 Ų14363.9 Ų63.970%0.70436%0.364SS*.Hα-helixtrans-62.2-25.3174.5-59.3178.1176.500112Y45 L46Y45-M48 HydrophobicContact CD2-SD 4.35Å; Y45-M48 VanDerWaalsContact O-CB 3.31Å; Y45-M48 WeakPolarHBondContact O-CB 3.37Å; Y45-M48 PolarHBondContact O-N 3.2Å; L46-M48 VanDerWaalsContact C-N 3.27Å; L46-M48 PolarHBondContact O-N 3.3Å
49F86.2Confident91.7Very high91 Ų9162 Ų6240%0.39935%0.351SS..THydrogen-bonded Turntrans-103.711.9179.5-55.5-80.1000113.1P26 Y45 L46 S47 A51P26-F49 HydrophobicContact CB-CE1 3.93Å; P26-F49 HydrophobicContact CB-CZ 3.79Å; P26-F49 HydrophobicContact CG-CE1 4.08Å; P26-F49 HydrophobicContact CG-CZ 4.16Å; Y45-F49 HydrophobicContact CD1-CE2 4.05Å; Y45-F49 HydrophobicContact CE1-CD2 4.37Å; Y45-F49 AromaticContact CE1-CE2 3.56Å; Y45-F49 HydrophobicContact CE1-CE2 3.56Å; Y45-F49 HydrophobicContact CE1-CZ 4.33Å; Y45-F49 HydrophobicContact CE2-CE2 4.26Å; Y45-F49 AromaticContact CZ-CE2 3.69Å; Y45-F49 WeakPolarHBondContact O-CD2 3.34Å; L46-F49 PolarHBondContact O-N 3.18Å; L46-F49 VanDerWaalsContact O-N 3.15Å; S47-F49 PolarHBondContact O-N 3.49Å; F49-A51 PolarHBondContact O-N 3.06Å
50Q85.3Confident91.7Very high144 Ų14458.7 Ų58.767%0.67334%0.34SS*.THydrogen-bonded Turntrans54.434.1-178.4-56176.429.100113.3L46 S47 T52L46-Q50 PolarHBondContact O-N 2.98Å; S47-Q50 PolarHBondContact O-N 3.14Å; S47-Q50 VanDerWaalsContact O-N 3.11Å; Q50-T52 PolarHBondContact O-N 2.97Å
51A85.4Confident91.6Very high7 Ų758.2 Ų58.26%0.05833%0.332CS..  trans-56.1130.5-179.800000111.4L46 F49 E55 R56L46-A51 HydrophobicContact CB-CB 3.77Å; L46-A51 WeakPolarHBondContact O-CB 3.39Å; L46-A51 PolarHBondContact O-N 3.43Å; L46-A51 VanDerWaalsContact O-N 3.14Å; F49-A51 PolarHBondContact O-N 3.06Å; A51-E55 HydrophobicContact CB-CB 4.28Å; A51-R56 HydrophobicContact CB-CG 4.2Å; A51-R56 PolarHBondContact O-NE 3.25Å
52T90.7Very high91.5Very high44 Ų4460.3 Ų60.327%0.2734%0.338SS..  trans-64.3162.7175.8650000111.4Q50 A54 E55 R56Q50-T52 PolarHBondContact O-N 2.97Å; T52-A54 PolarHBondContact O-N 3.22Å; T52-E55 VanDerWaalsContact CB-OE2 3.31Å; T52-E55 WeakPolarHBondContact CB-OE2 3.46Å; T52-E55 WeakPolarHBondContact CG2-OE2 3.45Å; T52-E55 PolarHBondContact N-OE2 3.05Å; T52-E55 PolarHBondContact O-N 3.15Å; T52-E55 VanDerWaalsContact OG1-CD 3.3Å; T52-E55 WeakPolarHBondContact OG1-CG 3.44Å; T52-E55 PolarHBondContact OG1-N 3.38Å; T52-E55 PolarHBondContact OG1-OE2 2.91Å; T52-R56 WeakPolarHBondContact O-CG 3.31Å; T52-R56 PolarHBondContact O-N 3.45Å
53A92.3Very high91.5Very high78 Ų7860.3 Ų60.365%0.64534%0.338SS*.Hα-helixtrans-57-39.517600000112.4R56 V57A53-R56 PolarHBondContact O-N 3.3Å; A53-V57 WeakPolarHBondContact O-CG2 3.43Å; A53-V57 PolarHBondContact O-N 2.98Å; A53-V57 VanDerWaalsContact O-N 3.12Å
54A90.5Very high91.5Very high77 Ų7761.8 Ų61.864%0.63635%0.346SS*.Hα-helixtrans-66.3-41.4178.400000112.5T52 V57 A58T52-A54 PolarHBondContact O-N 3.22Å; A54-V57 PolarHBondContact O-N 2.96Å; A54-A58 PolarHBondContact O-N 2.84Å
55E87.4Confident91.4Very high26 Ų2662.6 Ų62.612%0.12135%0.347CS..Hα-helixtrans-65-42.8176.8-72.7161.8141.100111.4G3 L6 A51 T52 V57 A58 F59G3-E55 VanDerWaalsContact CA-OE1 3.27Å; G3-E55 WeakPolarHBondContact CA-OE1 3.36Å; G3-E55 VanDerWaalsContact O-OE1 3.14Å; L6-E55 WeakPolarHBondContact CB-OE1 3.21Å; A51-E55 HydrophobicContact CB-CB 4.28Å; T52-E55 VanDerWaalsContact CB-OE2 3.31Å; T52-E55 WeakPolarHBondContact CB-OE2 3.46Å; T52-E55 WeakPolarHBondContact CG2-OE2 3.45Å; T52-E55 PolarHBondContact N-OE2 3.05Å; T52-E55 PolarHBondContact O-N 3.15Å; T52-E55 VanDerWaalsContact OG1-CD 3.3Å; T52-E55 WeakPolarHBondContact OG1-CG 3.44Å; T52-E55 PolarHBondContact OG1-N 3.38Å; T52-E55 PolarHBondContact OG1-OE2 2.91Å; E55-V57 VanDerWaalsContact C-N 3.33Å; E55-V57 PolarHBondContact O-N 3.45Å; E55-A58 WeakPolarHBondContact O-CB 3.3Å; E55-A58 PolarHBondContact O-N 2.87Å; E55-A58 VanDerWaalsContact O-N 3.1Å; E55-F59 WeakPolarHBondContact O-CD2 3.12Å; E55-F59 PolarHBondContact O-N 3.47Å
56R92.3Very high91.3Very high68 Ų6862.8 Ų62.826%0.25735%0.349SS..Hα-helixtrans-56.5-49175.4-69169.1-174.8-117.11.2111.2N43 L46 S47 A51 T52 A53 A58 F59 E60N43-R56 PolarHBondContact OD1-NH1 3.32Å; L46-R56 HydrophobicContact CD1-CG 4.2Å; S47-R56 PolarHBondContact OG-NH1 3.12Å; S47-R56 PolarHBondContact OG-NH2 3.1Å; A51-R56 HydrophobicContact CB-CG 4.2Å; A51-R56 PolarHBondContact O-NE 3.25Å; T52-R56 WeakPolarHBondContact O-CG 3.31Å; T52-R56 PolarHBondContact O-N 3.45Å; A53-R56 PolarHBondContact O-N 3.3Å; R56-A58 VanDerWaalsContact C-N 3.25Å; R56-A58 PolarHBondContact O-N 3.48Å; R56-F59 PolarHBondContact O-N 2.93Å; R56-E60 VanDerWaalsContact O-CB 3.24Å; R56-E60 WeakPolarHBondContact O-CB 3.42Å; R56-E60 WeakPolarHBondContact O-CG 2.92Å; R56-E60 PolarHBondContact O-N 3.49Å
57V94.4Very high91.3Very high69 Ų6965.9 Ų65.942%0.41837%0.365SS..Hα-helixtrans-59.2-37.2177.4170.90000111.7A53 A54 E55 K61A53-V57 WeakPolarHBondContact O-CG2 3.43Å; A53-V57 PolarHBondContact O-N 2.98Å; A53-V57 VanDerWaalsContact O-N 3.12Å; A54-V57 PolarHBondContact O-N 2.96Å; E55-V57 VanDerWaalsContact C-N 3.33Å; E55-V57 PolarHBondContact O-N 3.45Å; V57-K61 WeakPolarHBondContact O-CG 3.25Å; V57-K61 PolarHBondContact O-N 2.99Å; V57-K61 VanDerWaalsContact O-N 3.08Å
58A93.6Very high91.3Very high51 Ų5171.1 Ų71.142%0.42138%0.384SS..Hα-helixtrans-65.2-49.4176.600000112A54 E55 R56 E60 K61 I62A54-A58 PolarHBondContact O-N 2.84Å; E55-A58 WeakPolarHBondContact O-CB 3.3Å; E55-A58 PolarHBondContact O-N 2.87Å; E55-A58 VanDerWaalsContact O-N 3.1Å; R56-A58 VanDerWaalsContact C-N 3.25Å; R56-A58 PolarHBondContact O-N 3.48Å; A58-E60 VanDerWaalsContact C-N 3.29Å; A58-E60 PolarHBondContact O-N 3.42Å; A58-K61 PolarHBondContact O-N 3.49Å; A58-I62 WeakPolarHBondContact O-CG1 3.45Å; A58-I62 PolarHBondContact O-N 3.16Å
59F92.9Very high91.4Very high48 Ų4868.9 Ų68.921%0.21137%0.372CS..Hα-helixtrans-62.4-37.7177.5-87.1-81.7000112.8A30 I34 L42 L46 E55 R56 I62 Q63A30-F59 HydrophobicContact CB-CE1 4.11Å; I34-F59 HydrophobicContact CD1-CD1 3.75Å; I34-F59 HydrophobicContact CD1-CE1 4.11Å; I34-F59 HydrophobicContact CG1-CD1 4.32Å; L42-F59 HydrophobicContact CD1-CB 4.39Å; L42-F59 HydrophobicContact CD2-CB 4.19Å; L46-F59 HydrophobicContact CD1-CB 3.71Å; L46-F59 HydrophobicContact CD1-CD2 4.05Å; L46-F59 HydrophobicContact CD1-CG 3.93Å; L46-F59 HydrophobicContact CD2-CD1 4.35Å; L46-F59 HydrophobicContact CD2-CD2 3.85Å; L46-F59 HydrophobicContact CD2-CE1 4.48Å; L46-F59 HydrophobicContact CD2-CE2 4Å; L46-F59 HydrophobicContact CD2-CG 4.05Å; L46-F59 HydrophobicContact CD2-CZ 4.32Å; E55-F59 WeakPolarHBondContact O-CD2 3.12Å; E55-F59 PolarHBondContact O-N 3.47Å; R56-F59 PolarHBondContact O-N 2.93Å; F59-I62 PolarHBondContact O-N 3Å; F59-Q63 PolarHBondContact O-N 3.28Å
60E94.4Very high91.4Very high26 Ų2668 Ų6812%0.12138%0.375CS..Hα-helixtrans-62.2-42.5175.7-81.5-177.5165.100112.7R39 L42 N43 R56 A58 I62 Q63 D64R39-E60 HydrophobicContact CG-CG 4.5Å; R39-E60 VanDerWaalsContact CZ-CG 3.44Å; R39-E60 IonicContact CZ-OE1 3.84Å; R39-E60 IonicContact CZ-OE2 3.93Å; R39-E60 VanDerWaalsContact CZ-OE2 3.31Å; R39-E60 VanDerWaalsContact NE-CG 3.25Å; R39-E60 IonicContact NE-OE1 3.31Å; R39-E60 PolarHBondContact NE-OE1 2.81Å; R39-E60 VanDerWaalsContact NE-OE1 3.1Å; R39-E60 IonicContact NE-OE2 3.1Å; R39-E60 PolarHBondContact NE-OE2 3.03Å; R39-E60 IonicContact NH2-OE1 3.95Å; R39-E60 IonicContact NH2-OE2 2.81Å; R39-E60 PolarHBondContact NH2-OE2 2.74Å; L42-E60 HydrophobicContact CD2-CG 4.34Å; N43-E60 PolarHBondContact ND2-OE1 3.43Å; R56-E60 VanDerWaalsContact O-CB 3.24Å; R56-E60 WeakPolarHBondContact O-CB 3.42Å; R56-E60 WeakPolarHBondContact O-CG 2.92Å; R56-E60 PolarHBondContact O-N 3.49Å; A58-E60 VanDerWaalsContact C-N 3.29Å; A58-E60 PolarHBondContact O-N 3.42Å; E60-I62 VanDerWaalsContact C-N 3.31Å; E60-I62 PolarHBondContact O-N 2.88Å; E60-Q63 WeakPolarHBondContact O-CB 3.45Å; E60-Q63 PolarHBondContact O-N 3.42Å; E60-D64 PolarHBondContact O-N 3.05Å
61K94.8Very high91.3Very high135 Ų13567.8 Ų67.859%0.58738%0.378SS*.Hα-helixtrans-62.5-38.4174.5-74176.7179.1-173.70112.4V57 A58 Q63 D64 C65V57-K61 WeakPolarHBondContact O-CG 3.25Å; V57-K61 PolarHBondContact O-N 2.99Å; V57-K61 VanDerWaalsContact O-N 3.08Å; A58-K61 PolarHBondContact O-N 3.49Å; K61-Q63 VanDerWaalsContact C-N 3.33Å; K61-D64 PolarHBondContact O-N 3.33Å; K61-C65 PolarHBondContact O-N 3.46Å; K61-C65 PolarHBondContact O-SG 3.2Å; K61-C65 VanDerWaalsContact O-SG 3.34Å
62I92.9Very high91.1Very high76 Ų7672 Ų7239%0.3940%0.403SS..Hα-helixtrans-63.9-43.2175.2-59.2167.3000109.7I34 A58 F59 E60 D64 C65 F66I34-I62 HydrophobicContact CD1-CG2 4.12Å; I34-I62 HydrophobicContact CG2-CG2 3.81Å; A58-I62 WeakPolarHBondContact O-CG1 3.45Å; A58-I62 PolarHBondContact O-N 3.16Å; F59-I62 PolarHBondContact O-N 3Å; E60-I62 VanDerWaalsContact C-N 3.31Å; E60-I62 PolarHBondContact O-N 2.88Å; I62-D64 VanDerWaalsContact C-N 3.31Å; I62-D64 PolarHBondContact O-N 3.16Å; I62-C65 WeakPolarHBondContact O-CB 3.45Å; I62-C65 PolarHBondContact O-N 3.26Å; I62-F66 HydrophobicContact CG2-CD2 4.1Å; I62-F66 HydrophobicContact CG2-CE2 4.04Å; I62-F66 WeakPolarHBondContact O-CD2 3.4Å; I62-F66 PolarHBondContact O-N 3.3Å; I62-F66 VanDerWaalsContact O-N 3.12Å
63Q94.6Very high90.7Very high0 Ų072.3 Ų72.30%041%0.405CS..Hα-helixtrans-61.2-39.7174.9177.7174.281.400112K33 I34 N38 L42 F59 E60 K61 F66 N67K33-Q63 PolarHBondContact O-NE2 2.93Å; I34-Q63 HydrophobicContact CG2-CB 4.28Å; N38-Q63 PolarHBondContact O-NE2 3.33Å; L42-Q63 HydrophobicContact CD2-CB 3.97Å; L42-Q63 HydrophobicContact CD2-CG 4.46Å; F59-Q63 PolarHBondContact O-N 3.28Å; E60-Q63 WeakPolarHBondContact O-CB 3.45Å; E60-Q63 PolarHBondContact O-N 3.42Å; K61-Q63 VanDerWaalsContact C-N 3.33Å; Q63-F66 PolarHBondContact O-N 3.38Å; Q63-N67 WeakPolarHBondContact O-CB 3.44Å; Q63-N67 PolarHBondContact O-N 3.21Å; Q63-N67 PolarHBondContact O-ND2 3.46Å
64D95.3Very high90.2Very high59 Ų5970 Ų7032%0.31638%0.38SS..Hα-helixtrans-62.2-46.1175.8-65.6-25.7000110.9R39 E60 K61 I62 F66 N67 E68R39-D64 IonicContact CZ-OD2 2.71Å; R39-D64 IonicContact NH1-OD1 2.81Å; R39-D64 PolarHBondContact NH1-OD1 3.1Å; R39-D64 IonicContact NH1-OD2 3.86Å; R39-D64 PolarHBondContact NH1-OD2 3.01Å; R39-D64 IonicContact NH2-OD2 3.35Å; E60-D64 PolarHBondContact O-N 3.05Å; K61-D64 PolarHBondContact O-N 3.33Å; I62-D64 VanDerWaalsContact C-N 3.31Å; I62-D64 PolarHBondContact O-N 3.16Å; D64-F66 VanDerWaalsContact C-N 3.3Å; D64-F66 PolarHBondContact O-N 3.49Å; D64-N67 WeakPolarHBondContact O-CB 3.46Å; D64-N67 PolarHBondContact O-N 2.98Å; D64-E68 WeakPolarHBondContact O-CG 3.46Å; D64-E68 PolarHBondContact O-N 2.8Å
65C92.1Very high89.7Confident76 Ų7672.7 Ų72.751%0.51438%0.383SS..Hα-helixtrans-55.5-43.6174.1-67.10000112.3K61 I62 E68 E69K61-C65 PolarHBondContact O-N 3.46Å; K61-C65 PolarHBondContact O-SG 3.2Å; K61-C65 VanDerWaalsContact O-SG 3.34Å; I62-C65 WeakPolarHBondContact O-CB 3.45Å; I62-C65 PolarHBondContact O-N 3.26Å; C65-E68 PolarHBondContact O-N 2.93Å; C65-E69 WeakPolarHBondContact O-CG 3.09Å; C65-E69 PolarHBondContact O-N 2.92Å
66F90.8Very high89.6Confident42 Ų4277.9 Ų77.918%0.18441%0.405CS..Hα-helixtrans-68.9-34.8175.8-84.2-73.9000112.4I34 L35 I62 Q63 D64 E68 E69 K74 S77I34-F66 HydrophobicContact CG2-CD2 3.5Å; I34-F66 VanDerWaalsContact CG2-CD2 3.5Å; I34-F66 HydrophobicContact CG2-CE2 4.03Å; I34-F66 HydrophobicContact CG2-CG 4.34Å; L35-F66 HydrophobicContact CD2-CD1 3.51Å; L35-F66 HydrophobicContact CD2-CD2 4.34Å; L35-F66 HydrophobicContact CD2-CE1 3.57Å; L35-F66 HydrophobicContact CD2-CE2 4.39Å; L35-F66 HydrophobicContact CD2-CG 3.92Å; L35-F66 HydrophobicContact CD2-CZ 4.02Å; I62-F66 HydrophobicContact CG2-CD2 4.1Å; I62-F66 HydrophobicContact CG2-CE2 4.04Å; I62-F66 WeakPolarHBondContact O-CD2 3.4Å; I62-F66 PolarHBondContact O-N 3.3Å; I62-F66 VanDerWaalsContact O-N 3.12Å; Q63-F66 PolarHBondContact O-N 3.38Å; D64-F66 VanDerWaalsContact C-N 3.3Å; D64-F66 PolarHBondContact O-N 3.49Å; F66-E68 VanDerWaalsContact C-N 3.26Å; F66-E68 PolarHBondContact O-N 3.21Å; F66-E69 WeakPolarHBondContact O-CB 2.72Å; F66-E69 PolarHBondContact O-N 3.11Å; F66-E69 VanDerWaalsContact O-N 3.16Å; F66-K74 HydrophobicContact CD1-CG 4.36Å; F66-K74 WeakPolarHBondContact O-CE 3.46Å; F66-S77 WeakPolarHBondContact CE1-OG 3.43Å
67N91.6Very high89Confident69 Ų6975.1 Ų75.137%0.36940%0.397SS..Hα-helixtrans-67.3-27.1178.7-75.7-19.2000113.3G37 Q63 D64 E69 K74G37-N67 WeakPolarHBondContact CA-OD1 3.4Å; G37-N67 PolarHBondContact O-ND2 3.46Å; Q63-N67 WeakPolarHBondContact O-CB 3.44Å; Q63-N67 PolarHBondContact O-N 3.21Å; Q63-N67 PolarHBondContact O-ND2 3.46Å; D64-N67 WeakPolarHBondContact O-CB 3.46Å; D64-N67 PolarHBondContact O-N 2.98Å; N67-E69 VanDerWaalsContact C-N 3.31Å; N67-K74 PolarHBondContact OD1-NZ 3.48Å
68E92.2Very high88.4Confident165 Ų16574.3 Ų74.377%0.77139%0.392SS*.Hα-helixtrans-76.1-20.8173.3-67177.5152.400112.5D64 C65 F66D64-E68 WeakPolarHBondContact O-CG 3.46Å; D64-E68 PolarHBondContact O-N 2.8Å; C65-E68 PolarHBondContact O-N 2.93Å; F66-E68 VanDerWaalsContact C-N 3.26Å; F66-E68 PolarHBondContact O-N 3.21Å
69E89.1Confident87.7Confident96 Ų9678 Ų7845%0.44940%0.401SS..SBendtrans-78.9152.1179.2-72.8-71.5146.600113C65 F66 N67 T73C65-E69 WeakPolarHBondContact O-CG 3.09Å; C65-E69 PolarHBondContact O-N 2.92Å; F66-E69 WeakPolarHBondContact O-CB 2.72Å; F66-E69 PolarHBondContact O-N 3.11Å; F66-E69 VanDerWaalsContact O-N 3.16Å; N67-E69 VanDerWaalsContact C-N 3.31Å; E69-T73 HydrophobicContact CB-CG2 4.18Å; E69-T73 HydrophobicContact CG-CG2 4.21Å; E69-T73 WeakPolarHBondContact OE2-CG2 3.35Å; E69-T73 PolarHBondContact OE2-OG1 3.35Å
70P87.6Confident87Confident72 Ų7282.6 Ų82.647%0.46843%0.426SS..  trans-56.7148.1170.4-22.232.5000112.5T72 T73 K74P70-T72 PolarHBondContact O-N 3.22Å; P70-T72 VanDerWaalsContact O-N 3.08Å; P70-T73 WeakPolarHBondContact O-CA 3.18Å; P70-T73 WeakPolarHBondContact O-CB 3.07Å; P70-T73 PolarHBondContact O-N 2.96Å; P70-K74 PolarHBondContact O-N 3.38Å
71L82.1Confident85.9Confident140 Ų14084.9 Ų84.973%0.73344%0.438SS*.Hα-helixtrans-55.9-30.8175.6-17465.4000112.6K74 L75L71-K74 PolarHBondContact O-N 3.14Å; L71-L75 WeakPolarHBondContact O-CB 3.5Å; L71-L75 PolarHBondContact O-N 2.96Å
72T82.1Confident84.2Confident94 Ų9486.5 Ų86.558%0.57746%0.459SS*.Hα-helixtrans-65.3-35.9175.651.10000112.6P70 K76P70-T72 PolarHBondContact O-N 3.22Å; P70-T72 VanDerWaalsContact O-N 3.08Å; T72-K76 WeakPolarHBondContact O-CB 3.37Å; T72-K76 VanDerWaalsContact O-CG 3.32Å; T72-K76 WeakPolarHBondContact O-CG 3.28Å; T72-K76 PolarHBondContact O-N 3.35Å
73T81.3Confident83.7Confident51 Ų5187.1 Ų87.131%0.31346%0.463SS..Hα-helixtrans-64.4-52.6172.5-57.20000109.3E69 P70 L75 K76 S77E69-T73 HydrophobicContact CB-CG2 4.18Å; E69-T73 HydrophobicContact CG-CG2 4.21Å; E69-T73 WeakPolarHBondContact OE2-CG2 3.35Å; E69-T73 PolarHBondContact OE2-OG1 3.35Å; P70-T73 WeakPolarHBondContact O-CA 3.18Å; P70-T73 WeakPolarHBondContact O-CB 3.07Å; P70-T73 PolarHBondContact O-N 2.96Å; T73-L75 VanDerWaalsContact C-N 3.27Å; T73-L75 PolarHBondContact O-N 3.05Å; T73-K76 PolarHBondContact O-N 3.18Å; T73-S77 PolarHBondContact O-N 3.04Å; T73-S77 PolarHBondContact O-OG 3.46Å
74K81.5Confident83.2Confident31 Ų3191.6 Ų91.614%0.13549%0.487CS..Hα-helixtrans-55.1-39179.1-68.3-173.5168.1-153.40113.6L35 F66 N67 P70 L71 P78L35-K74 PolarHBondContact O-NZ 3Å; F66-K74 HydrophobicContact CD1-CG 4.36Å; F66-K74 WeakPolarHBondContact O-CE 3.46Å; N67-K74 PolarHBondContact OD1-NZ 3.48Å; P70-K74 PolarHBondContact O-N 3.38Å; L71-K74 PolarHBondContact O-N 3.14Å; K74-P78 WeakPolarHBondContact O-CD 3.48Å
75L81.1Confident82.5Confident133 Ų13393.4 Ų93.470%0.69650%0.497SS*.Hα-helixtrans-75.8-26.8-178.6-162.371.3000112.7L71 T73L71-L75 WeakPolarHBondContact O-CB 3.5Å; L71-L75 PolarHBondContact O-N 2.96Å; T73-L75 VanDerWaalsContact C-N 3.27Å; T73-L75 PolarHBondContact O-N 3.05Å
76K84.3Confident81.9Confident135 Ų13594.5 Ų94.559%0.58750%0.496SS*.Hα-helixtrans-85.7-25.5175.9-72.6-179.8178.7-174.10112.8T72 T73 Q79T72-K76 WeakPolarHBondContact O-CB 3.37Å; T72-K76 VanDerWaalsContact O-CG 3.32Å; T72-K76 WeakPolarHBondContact O-CG 3.28Å; T72-K76 PolarHBondContact O-N 3.35Å; T73-K76 PolarHBondContact O-N 3.18Å; K76-Q79 VanDerWaalsContact O-CB 3.28Å; K76-Q79 WeakPolarHBondContact O-CB 3.34Å; K76-Q79 PolarHBondContact O-N 3.25Å
77S80.3Confident81.4Confident10 Ų1097.8 Ų97.87%0.0752%0.515CS..Hα-helixtrans-55.2-40.6-177.9-490000114.2Y31 F66 T73 Q79 I80Y31-S77 WeakPolarHBondContact OH-CB 3.32Å; Y31-S77 PolarHBondContact OH-O 3.14Å; F66-S77 WeakPolarHBondContact CE1-OG 3.43Å; T73-S77 PolarHBondContact O-N 3.04Å; T73-S77 PolarHBondContact O-OG 3.46Å; S77-Q79 PolarHBondContact O-N 3.21Å; S77-I80 WeakPolarHBondContact O-CB 3.45Å; S77-I80 PolarHBondContact O-N 3.22Å; S77-I80 VanDerWaalsContact O-N 3.11Å
78P81.9Confident80.7Confident51 Ų5199.7 Ų99.733%0.33153%0.525SS..Hα-helixtrans-58.9-29.9174.3-26.434.4000114.3Y31 L35 K74 I80 M81 T82Y31-P78 HydrophobicContact CE1-CG 4.29Å; L35-P78 HydrophobicContact CD1-CG 3.66Å; K74-P78 WeakPolarHBondContact O-CD 3.48Å; P78-I80 PolarHBondContact O-N 2.99Å; P78-M81 PolarHBondContact O-N 3.37Å; P78-M81 VanDerWaalsContact O-N 3.1Å; P78-T82 PolarHBondContact O-N 2.91Å; P78-T82 PolarHBondContact O-OG1 3.08Å
79Q78.4Confident79.9Confident129 Ų12995 Ų9560%0.60351%0.508SS*.Hα-helixtrans-70.4-20.7-179.8-54.7175.524.300112.4K76 S77 M81 T82K76-Q79 VanDerWaalsContact O-CB 3.28Å; K76-Q79 WeakPolarHBondContact O-CB 3.34Å; K76-Q79 PolarHBondContact O-N 3.25Å; S77-Q79 PolarHBondContact O-N 3.21Å; Q79-M81 VanDerWaalsContact C-N 3.33Å; Q79-T82 PolarHBondContact O-OG1 3.06Å
80I78.1Confident79.1Confident144 Ų14494.9 Ų94.974%0.73851%0.512SS*.Hα-helixtrans-80.3-22.9175-53.6172.6000110.4S77 P78S77-I80 WeakPolarHBondContact O-CB 3.45Å; S77-I80 PolarHBondContact O-N 3.22Å; S77-I80 VanDerWaalsContact O-N 3.11Å; P78-I80 PolarHBondContact O-N 2.99Å
81M71.1Confident78.4Confident75 Ų7596.8 Ų96.837%0.36952%0.516SS..  trans-96.4-6.2-174.3-158.3174.268.600113.6F27 V28 Y31 P78 Q79F27-M81 HydrophobicContact CE1-CE 4.4Å; F27-M81 HydrophobicContact CE1-CG 4.39Å; F27-M81 HydrophobicContact CE1-SD 3.54Å; F27-M81 VanDerWaalsContact CE1-SD 3.54Å; F27-M81 HydrophobicContact CZ-SD 4.01Å; V28-M81 HydrophobicContact CG2-CE 4.49Å; Y31-M81 HydrophobicContact CD1-CE 3.16Å; Y31-M81 HydrophobicContact CD1-SD 3.72Å; Y31-M81 HydrophobicContact CD2-CE 4.4Å; Y31-M81 HydrophobicContact CD2-SD 3.87Å; Y31-M81 HydrophobicContact CE1-CE 3.39Å; Y31-M81 HydrophobicContact CE1-SD 3.76Å; Y31-M81 HydrophobicContact CE2-SD 3.93Å; Y31-M81 HydrophobicContact CG-CE 3.7Å; Y31-M81 HydrophobicContact CG-SD 3.74Å; P78-M81 PolarHBondContact O-N 3.37Å; P78-M81 VanDerWaalsContact O-N 3.1Å; Q79-M81 VanDerWaalsContact C-N 3.33Å
82T59.2Low78.1Confident169 Ų16992.9 Ų92.9100%1.03750%0.496SS*.  trans-93.50169.533.80000111.6P78 Q79P78-T82 PolarHBondContact O-N 2.91Å; P78-T82 PolarHBondContact O-OG1 3.08Å; Q79-T82 PolarHBondContact O-OG1 3.06Å

Retrieved 82 of 82 residues in 82.8 ms (Link to these results)