A0A3Q0KJ27_SCHMA Loading...

40S ribosomal protein S24

AlphaFold DB , UniProt , Accession A0A3Q0KJ27, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 107 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
1M95.1Very high93.4Very high81 Ų8181.4 Ų81.440%0.39949%0.487SS..  0154064.7-168.3139.800110.8V3 L22 Y26 F50 A51 V53M1-V3 HydrophobicContact CG-CG2 4.06Å; M1-L22 HydrophobicContact CE-CD2 4.35Å; M1-Y26 HydrophobicContact CE-CD2 4.02Å; M1-Y26 HydrophobicContact CE-CE2 3.41Å; M1-Y26 VanDerWaalsContact CE-CE2 3.41Å; M1-Y26 HydrophobicContact SD-CE2 3.66Å; M1-Y26 PolarHBondContact SD-OH 2.97Å; M1-F50 WeakPolarHBondContact O-CA 3.42Å; M1-A51 HydrophobicContact CE-CB 3.96Å; M1-A51 HydrophobicContact CG-CB 4.23Å; M1-A51 PolarHBondContact N-O 3.09Å; M1-A51 PolarHBondContact O-N 2.79Å; M1-V53 HydrophobicContact CE-CG2 3.39Å
2V96.5Very high93.3Very high101 Ų10180.1 Ų80.161%0.61248%0.48SS*.EExtended strand (participates in β ladder)trans-78.5137.5166.7-179.10000108.1G49 F50V2-G49 WeakPolarHBondContact CA-O 3.3Å; V2-F50 HydrophobicContact CG2-CD1 4.23Å; V2-F50 HydrophobicContact CG2-CE1 3.93Å
3V96.3Very high93.2Very high17 Ų1775.4 Ų75.410%0.10345%0.45CS..EExtended strand (participates in β ladder)trans-121.2112.4178-1780000108.6M1 I5 L22 F38 T48 G49 A51M1-V3 HydrophobicContact CG-CG2 4.06Å; V3-I5 HydrophobicContact CG1-CD1 4.36Å; V3-I5 HydrophobicContact CG1-CG1 3.88Å; V3-L22 HydrophobicContact CG2-CD1 4.24Å; V3-L22 HydrophobicContact CG2-CD2 4.45Å; V3-F38 HydrophobicContact CB-CE1 4.11Å; V3-F38 HydrophobicContact CB-CZ 4.01Å; V3-F38 HydrophobicContact CG1-CE1 4.14Å; V3-F38 HydrophobicContact CG1-CZ 4.16Å; V3-T48 WeakPolarHBondContact O-CA 3.35Å; V3-G49 PolarHBondContact N-O 2.96Å; V3-G49 PolarHBondContact O-N 2.94Å; V3-A51 HydrophobicContact CG2-CB 3.49Å; V3-A51 VanDerWaalsContact CG2-CB 3.49Å
4D95.5Very high93.2Very high86 Ų8674.7 Ų74.746%0.4645%0.451SS..EExtended strand (participates in β ladder)trans-96.5124.8171.3-81.60.4000109.2K46 T48D4-K46 VanDerWaalsContact CG-CE 3.49Å; D4-K46 WeakPolarHBondContact OD2-CE 3.09Å; D4-K46 IonicContact OD2-NZ 3.65Å; D4-K46 PolarHBondContact OD2-NZ 2.83Å; D4-T48 WeakPolarHBondContact OD1-CB 3.43Å; D4-T48 WeakPolarHBondContact OD1-CG2 3.28Å
5I95.1Very high93.2Very high21 Ų2176.4 Ų76.411%0.10845%0.45CS..EExtended strand (participates in β ladder)trans-116115.2-179.3-52.5174.5000108.1V3 H7 L13 I18 F38 K46 S47V3-I5 HydrophobicContact CG1-CD1 4.36Å; V3-I5 HydrophobicContact CG1-CG1 3.88Å; I5-H7 PolarHBondContact O-CD2 2.87Å; I5-L13 HydrophobicContact CG2-CD1 3.78Å; I5-L13 HydrophobicContact CG2-CD2 4.11Å; I5-L13 HydrophobicContact CG2-CG 4.44Å; I5-I18 HydrophobicContact CD1-CD1 3.29Å; I5-I18 HydrophobicContact CD1-CG1 3.54Å; I5-I18 HydrophobicContact CD1-CG2 4.29Å; I5-F38 HydrophobicContact CD1-CD1 3.84Å; I5-F38 HydrophobicContact CD1-CE1 3.34Å; I5-F38 HydrophobicContact CD1-CZ 4.13Å; I5-F38 HydrophobicContact CG1-CE1 4.01Å; I5-K46 CarbonylContact O-C 3.57Å; I5-K46 WeakPolarHBondContact O-CA 3.5Å; I5-S47 PolarHBondContact N-O 3.33Å; I5-S47 PolarHBondContact O-N 3.48Å
6L94.7Very high93.2Very high131 Ų13177.6 Ų77.669%0.68645%0.454SS*.EExtended strand (participates in β ladder)trans-88.7123.7169.3-58.5177.6000108.6K46L6-K46 HydrophobicContact CD2-CB 4.25Å; L6-K46 HydrophobicContact CD2-CD 4.07Å; L6-K46 HydrophobicContact CD2-CG 4.02Å
7H92.4Very high93.3Very high9 Ų975.3 Ų75.34%0.04244%0.438CS..  trans-13960.9177.953.381.8000110.3I5 G9 R10 L13 G45 S47I5-H7 PolarHBondContact O-CD2 2.87Å; H7-G9 PolarHBondContact O-N 3.31Å; H7-R10 HydrophobicContact CB-CB 4.49Å; H7-R10 PolarHBondContact ND1-O 2.92Å; H7-R10 VanDerWaalsContact ND1-O 3.13Å; H7-R10 PolarHBondContact O-N 3.49Å; H7-L13 HydrophobicContact CB-CD1 3.69Å; H7-G45 CarbonylContact C-O 3.56Å; H7-G45 PolarHBondContact N-O 2.79Å; H7-S47 WeakPolarHBondContact NE2-CB 3.37Å; H7-S47 PolarHBondContact NE2-N 3.48Å; H7-S47 PolarHBondContact NE2-OG 3.02Å
8P93.1Very high93.4Very high106 Ų10671.6 Ų71.669%0.68842%0.416SS*.THydrogen-bonded Turntrans-62.5136.7177.429-34.9000110.1R10P8-R10 PolarHBondContact O-N 2.88Å
9G90Very high93.5Very high98 Ų9868.9 Ų68.9100%1.0140%0.398SS*.THydrogen-bonded Turntrans66.22.2-179.900000115.6H7H7-G9 PolarHBondContact O-N 3.31Å
10R89.9Confident93.6Very high137 Ų13770.7 Ų70.752%0.51740%0.402SS..SBendtrans-124.6149.2178.6-169.2179.6174.2-152.9-10110.6H7 P8 E17H7-R10 HydrophobicContact CB-CB 4.49Å; H7-R10 PolarHBondContact ND1-O 2.92Å; H7-R10 VanDerWaalsContact ND1-O 3.13Å; H7-R10 PolarHBondContact O-N 3.49Å; P8-R10 PolarHBondContact O-N 2.88Å; R10-E17 IonicContact CZ-OE1 3.68Å; R10-E17 IonicContact CZ-OE2 3.68Å; R10-E17 IonicContact NH1-OE1 3.9Å; R10-E17 PolarHBondContact NH1-OE1 3.29Å; R10-E17 IonicContact NH1-OE2 3.16Å; R10-E17 IonicContact NH2-OE1 3.48Å; R10-E17 PolarHBondContact NH2-OE1 3Å; R10-E17 IonicContact NH2-OE2 2.87Å; R10-E17 PolarHBondContact NH2-OE2 3.42Å
11C89.3Confident93.6Very high108 Ų10872.2 Ų72.273%0.7341%0.405SS*.PPolyproline II helixtrans-62.9166.8168.9-165.70000111.7
12V91.6Very high93.7Very high66 Ų6669.3 Ų69.340%0.439%0.391SS..PPolyproline II helixtrans-57.2136.3179.5-174.60000110.7T40V12-T40 HydrophobicContact CG2-CG2 3.98Å; V12-T40 WeakPolarHBondContact CG2-OG1 3.44Å
13L92.2Very high93.6Very high19 Ų1964.7 Ų64.710%0.09936%0.363CS..PPolyproline II helixtrans-67.2145.1176.4-76.970.1000110.8I5 H7 E17 I18 K21I5-L13 HydrophobicContact CG2-CD1 3.78Å; I5-L13 HydrophobicContact CG2-CD2 4.11Å; I5-L13 HydrophobicContact CG2-CG 4.44Å; H7-L13 HydrophobicContact CB-CD1 3.69Å; L13-E17 HydrophobicContact CD2-CG 4.27Å; L13-I18 HydrophobicContact CB-CD1 4.18Å; L13-I18 HydrophobicContact CB-CG1 3.91Å; L13-I18 HydrophobicContact CD2-CG1 4.5Å; L13-K21 HydrophobicContact CD2-CD 4.38Å
14S93.6Very high93.6Very high66 Ų6671.7 Ų71.746%0.46239%0.392SS..PPolyproline II helixtrans-68.3150.8172.278.60000110.7N16 E17 I18S14-N16 PolarHBondContact O-N 3.46Å; S14-E17 PolarHBondContact O-N 3.02Å; S14-E17 WeakPolarHBondContact OG-CB 3.44Å; S14-E17 PolarHBondContact OG-N 3.04Å; S14-E17 VanDerWaalsContact OG-N 3.13Å; S14-I18 WeakPolarHBondContact O-CG1 3.44Å; S14-I18 PolarHBondContact O-N 3.22Å
15K93Very high93.6Very high100 Ų10072.5 Ų72.544%0.43540%0.4SS..Hα-helixtrans-61.3-28.7176.7-69176.9-174.5163.70112.8R19K15-R19 WeakPolarHBondContact O-CG 3.32Å; K15-R19 PolarHBondContact O-N 3.48Å
16N93.5Very high93.6Very high96 Ų9677.1 Ų77.151%0.51342%0.417SS..Hα-helixtrans-69.7-45.4175.9-67.5-11.4000110.8S14 I18 R19 E20S14-N16 PolarHBondContact O-N 3.46Å; N16-I18 VanDerWaalsContact C-N 3.28Å; N16-I18 PolarHBondContact O-N 3.42Å; N16-R19 WeakPolarHBondContact O-CB 3.44Å; N16-R19 PolarHBondContact O-N 3.46Å; N16-R19 VanDerWaalsContact O-N 3.13Å; N16-E20 WeakPolarHBondContact O-CG 3.21Å; N16-E20 PolarHBondContact O-N 3.09Å
17E94.1Very high93.7Very high38 Ų3880.3 Ų80.318%0.17843%0.426CS..Hα-helixtrans-59.9-40.2175.5-172.1-177.3165.100111.3R10 L13 S14 E20 K21R10-E17 IonicContact CZ-OE1 3.68Å; R10-E17 IonicContact CZ-OE2 3.68Å; R10-E17 IonicContact NH1-OE1 3.9Å; R10-E17 PolarHBondContact NH1-OE1 3.29Å; R10-E17 IonicContact NH1-OE2 3.16Å; R10-E17 IonicContact NH2-OE1 3.48Å; R10-E17 PolarHBondContact NH2-OE1 3Å; R10-E17 IonicContact NH2-OE2 2.87Å; R10-E17 PolarHBondContact NH2-OE2 3.42Å; L13-E17 HydrophobicContact CD2-CG 4.27Å; S14-E17 PolarHBondContact O-N 3.02Å; S14-E17 WeakPolarHBondContact OG-CB 3.44Å; S14-E17 PolarHBondContact OG-N 3.04Å; S14-E17 VanDerWaalsContact OG-N 3.13Å; E17-E20 PolarHBondContact O-N 3.43Å; E17-K21 HydrophobicContact CG-CD 4.43Å; E17-K21 WeakPolarHBondContact O-CB 3.38Å; E17-K21 WeakPolarHBondContact O-CG 3.5Å; E17-K21 PolarHBondContact O-N 3.3Å; E17-K21 WeakPolarHBondContact OE1-CE 3.17Å; E17-K21 IonicContact OE1-NZ 2.88Å; E17-K21 PolarHBondContact OE1-NZ 2.97Å
18I94.9Very high93.7Very high8 Ų882.3 Ų82.34%0.04144%0.438CS..Hα-helixtrans-63-45.5175.9-63.9164.5000110.8I5 L13 S14 N16 K21 L22 A35 F38I5-I18 HydrophobicContact CD1-CD1 3.29Å; I5-I18 HydrophobicContact CD1-CG1 3.54Å; I5-I18 HydrophobicContact CD1-CG2 4.29Å; L13-I18 HydrophobicContact CB-CD1 4.18Å; L13-I18 HydrophobicContact CB-CG1 3.91Å; L13-I18 HydrophobicContact CD2-CG1 4.5Å; S14-I18 WeakPolarHBondContact O-CG1 3.44Å; S14-I18 PolarHBondContact O-N 3.22Å; N16-I18 VanDerWaalsContact C-N 3.28Å; N16-I18 PolarHBondContact O-N 3.42Å; I18-K21 PolarHBondContact O-N 2.89Å; I18-L22 HydrophobicContact CG2-CD1 3.78Å; I18-L22 HydrophobicContact CG2-CG 4.36Å; I18-L22 WeakPolarHBondContact O-CB 3.42Å; I18-L22 VanDerWaalsContact O-CG 3.28Å; I18-L22 WeakPolarHBondContact O-CG 3.32Å; I18-L22 PolarHBondContact O-N 2.84Å; I18-A35 HydrophobicContact CG2-CB 4.01Å; I18-F38 HydrophobicContact CD1-CD1 4.32Å; I18-F38 HydrophobicContact CD1-CD2 4.46Å; I18-F38 HydrophobicContact CD1-CE1 4.13Å; I18-F38 HydrophobicContact CD1-CE2 4.3Å; I18-F38 HydrophobicContact CD1-CG 4.49Å; I18-F38 HydrophobicContact CD1-CZ 4.11Å; I18-F38 HydrophobicContact CG2-CE2 4.42Å; I18-F38 HydrophobicContact CG2-CZ 3.92Å
19R95Very high93.7Very high21 Ų2179.9 Ų79.98%0.07942%0.424CS..Hα-helixtrans-61.5-44.9178.2-73.9169.167.8-159-4111.6K15 N16 L22 A23 P30 D31 V33 A35 N72K15-R19 WeakPolarHBondContact O-CG 3.32Å; K15-R19 PolarHBondContact O-N 3.48Å; N16-R19 WeakPolarHBondContact O-CB 3.44Å; N16-R19 PolarHBondContact O-N 3.46Å; N16-R19 VanDerWaalsContact O-N 3.13Å; R19-L22 PolarHBondContact O-N 2.92Å; R19-A23 WeakPolarHBondContact O-CB 3.49Å; R19-A23 PolarHBondContact O-N 3.13Å; R19-P30 PolarHBondContact NE-O 3.09Å; R19-P30 VanDerWaalsContact NE-O 3.14Å; R19-P30 PolarHBondContact NH2-O 2.76Å; R19-D31 IonicContact NH2-OD1 3.85Å; R19-V33 HydrophobicContact CB-CB 4.43Å; R19-V33 HydrophobicContact CB-CG1 4.43Å; R19-V33 HydrophobicContact CG-CB 4.41Å; R19-V33 HydrophobicContact CG-CG1 4.24Å; R19-V33 WeakPolarHBondContact CG-O 3.49Å; R19-V33 PolarHBondContact NE-O 2.95Å; R19-A35 HydrophobicContact CG-CB 3.99Å; R19-N72 VanDerWaalsContact CZ-ND2 3.34Å; R19-N72 PolarHBondContact NH1-OD1 3.45Å
20E95.5Very high93.9Very high104 Ų10477.6 Ų77.649%0.48639%0.391SS..Hα-helixtrans-63.1-43.9178.2-72.8170.4-160.900112.3N16 E17 A23 K24N16-E20 WeakPolarHBondContact O-CG 3.21Å; N16-E20 PolarHBondContact O-N 3.09Å; E17-E20 PolarHBondContact O-N 3.43Å; E20-A23 PolarHBondContact O-N 3.13Å; E20-K24 WeakPolarHBondContact O-CG 3.4Å; E20-K24 PolarHBondContact O-N 3.04Å
21K95.3Very high94Very high103 Ų10374.7 Ų74.745%0.44839%0.386SS..Hα-helixtrans-63.7-46.8177.2-74.5-178.3179.81750111.6L13 E17 I18 A23 K24 T25L13-K21 HydrophobicContact CD2-CD 4.38Å; E17-K21 HydrophobicContact CG-CD 4.43Å; E17-K21 WeakPolarHBondContact O-CB 3.38Å; E17-K21 WeakPolarHBondContact O-CG 3.5Å; E17-K21 PolarHBondContact O-N 3.3Å; E17-K21 WeakPolarHBondContact OE1-CE 3.17Å; E17-K21 IonicContact OE1-NZ 2.88Å; E17-K21 PolarHBondContact OE1-NZ 2.97Å; I18-K21 PolarHBondContact O-N 2.89Å; K21-A23 VanDerWaalsContact C-N 3.35Å; K21-A23 PolarHBondContact O-N 3.17Å; K21-K24 PolarHBondContact O-N 3.22Å; K21-T25 PolarHBondContact O-N 2.86Å; K21-T25 PolarHBondContact O-OG1 3.13Å; K21-T25 VanDerWaalsContact O-OG1 3.09Å
22L95.8Very high94.3Very high21 Ų2170 Ų7011%0.1135%0.354CS..Hα-helixtrans-63.5-40.5177.2-71.3173.1000111.9M1 V3 I18 R19 K24 T25 Y26 V33 A51M1-L22 HydrophobicContact CE-CD2 4.35Å; V3-L22 HydrophobicContact CG2-CD1 4.24Å; V3-L22 HydrophobicContact CG2-CD2 4.45Å; I18-L22 HydrophobicContact CG2-CD1 3.78Å; I18-L22 HydrophobicContact CG2-CG 4.36Å; I18-L22 WeakPolarHBondContact O-CB 3.42Å; I18-L22 VanDerWaalsContact O-CG 3.28Å; I18-L22 WeakPolarHBondContact O-CG 3.32Å; I18-L22 PolarHBondContact O-N 2.84Å; R19-L22 PolarHBondContact O-N 2.92Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 2.77Å; L22-T25 PolarHBondContact O-N 2.93Å; L22-Y26 HydrophobicContact CD2-CE2 4.14Å; L22-Y26 VanDerWaalsContact O-CD2 3.32Å; L22-Y26 WeakPolarHBondContact O-CD2 3.47Å; L22-Y26 PolarHBondContact O-N 3.02Å; L22-V33 HydrophobicContact CB-CG1 3.89Å; L22-V33 HydrophobicContact CD1-CG1 3.97Å; L22-A51 HydrophobicContact CD1-CB 3.53Å
23A95.9Very high94.5Very high4 Ų466.9 Ų66.93%0.03334%0.335CS..Hα-helixtrans-59-43.7175.900000111.5R19 E20 K21 K27 T28 P30 V33R19-A23 WeakPolarHBondContact O-CB 3.49Å; R19-A23 PolarHBondContact O-N 3.13Å; E20-A23 PolarHBondContact O-N 3.13Å; K21-A23 VanDerWaalsContact C-N 3.35Å; K21-A23 PolarHBondContact O-N 3.17Å; A23-K27 WeakPolarHBondContact O-CA 3.44Å; A23-K27 PolarHBondContact O-N 3.34Å; A23-T28 CarbonylContact C-O 3.47Å; A23-T28 WeakPolarHBondContact CB-O 3.28Å; A23-T28 PolarHBondContact O-N 2.81Å; A23-P30 HydrophobicContact CB-CB 4.22Å; A23-V33 HydrophobicContact CB-CG2 4.08Å
24K96Very high94.6Very high163 Ų16366.1 Ų66.171%0.70933%0.331SS*.Hα-helixtrans-61.8-46.7173.8-70.7175.2-177-178.30112.1E20 K21 L22 Y26 K27E20-K24 WeakPolarHBondContact O-CG 3.4Å; E20-K24 PolarHBondContact O-N 3.04Å; K21-K24 PolarHBondContact O-N 3.22Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 2.77Å; K24-Y26 PolarHBondContact O-N 3.36Å; K24-K27 PolarHBondContact O-N 3.42Å
25T95.5Very high94.7Very high103 Ų10363.6 Ų63.663%0.63231%0.314SS*.Hα-helixtrans-61.7-44.2-179.8-56.40000112.4K21 L22 K27K21-T25 PolarHBondContact O-N 2.86Å; K21-T25 PolarHBondContact O-OG1 3.13Å; K21-T25 VanDerWaalsContact O-OG1 3.09Å; L22-T25 PolarHBondContact O-N 2.93Å; T25-K27 VanDerWaalsContact C-N 3.33Å
26Y95.4Very high94.7Very high119 Ų11961.2 Ų61.247%0.46730%0.303SS..Hα-helixtrans-90.35.5-177.8-71-75.4000113.6M1 L22 K24 T28 V53M1-Y26 HydrophobicContact CE-CD2 4.02Å; M1-Y26 HydrophobicContact CE-CE2 3.41Å; M1-Y26 VanDerWaalsContact CE-CE2 3.41Å; M1-Y26 HydrophobicContact SD-CE2 3.66Å; M1-Y26 PolarHBondContact SD-OH 2.97Å; L22-Y26 HydrophobicContact CD2-CE2 4.14Å; L22-Y26 VanDerWaalsContact O-CD2 3.32Å; L22-Y26 WeakPolarHBondContact O-CD2 3.47Å; L22-Y26 PolarHBondContact O-N 3.02Å; K24-Y26 PolarHBondContact O-N 3.36Å; Y26-T28 PolarHBondContact O-N 2.88Å; Y26-V53 HydrophobicContact CD2-CG2 4.19Å; Y26-V53 HydrophobicContact CG-CG2 4.49Å
27K94.8Very high94.8Very high198 Ų19858.8 Ų58.886%0.86130%0.3SS*.THydrogen-bonded Turntrans53.640.3-178.3-55.6177.2-179.4177.50112.7A23 K24 T25A23-K27 WeakPolarHBondContact O-CA 3.44Å; A23-K27 PolarHBondContact O-N 3.34Å; K24-K27 PolarHBondContact O-N 3.42Å; T25-K27 VanDerWaalsContact C-N 3.33Å
28T94Very high94.9Very high50 Ų5058.9 Ų58.931%0.30730%0.3SS..SBendtrans-119176.9178.256.60000111.3A23 Y26 V32 V53A23-T28 CarbonylContact C-O 3.47Å; A23-T28 WeakPolarHBondContact CB-O 3.28Å; A23-T28 PolarHBondContact O-N 2.81Å; Y26-T28 PolarHBondContact O-N 2.88Å; T28-V32 HydrophobicContact CG2-CG2 4.35Å; T28-V53 HydrophobicContact CG2-CG1 3.99Å
29S93.1Very high94.9Very high55 Ų5568.2 Ų68.239%0.38534%0.335SS..  trans-85.9149.4171.868.80000111.1D31 V32S29-D31 PolarHBondContact O-N 3.49Å; S29-D31 VanDerWaalsContact O-N 3.09Å; S29-V32 WeakPolarHBondContact O-CG2 3.4Å; S29-V32 PolarHBondContact O-N 3.21Å
30P93.4Very high94.9Very high50 Ų5070.3 Ų70.333%0.32535%0.35SS..G310 helixtrans-61.6-20.6178.424.7-34.3000113.4R19 A23 V32 V33R19-P30 PolarHBondContact NE-O 3.09Å; R19-P30 VanDerWaalsContact NE-O 3.14Å; R19-P30 PolarHBondContact NH2-O 2.76Å; A23-P30 HydrophobicContact CB-CB 4.22Å; P30-V32 VanDerWaalsContact C-N 3.33Å; P30-V32 PolarHBondContact O-N 3.14Å; P30-V33 PolarHBondContact O-N 3.29Å
31D92.2Very high94.8Very high77 Ų7770.9 Ų70.941%0.41235%0.353SS..G310 helixtrans-71.2-25.7-179.9-62.5-37.7000113.8R19 S29 F34 L57R19-D31 IonicContact NH2-OD1 3.85Å; S29-D31 PolarHBondContact O-N 3.49Å; S29-D31 VanDerWaalsContact O-N 3.09Å; D31-F34 WeakPolarHBondContact O-CE2 3.13Å; D31-L57 HydrophobicContact CB-CD1 4.01Å
32V94.7Very high94.7Very high9 Ų975.9 Ų75.96%0.05538%0.375CS..G310 helixtrans-91.71.1175.4-60.20000113.2T28 S29 P30 Y54 L57T28-V32 HydrophobicContact CG2-CG2 4.35Å; S29-V32 WeakPolarHBondContact O-CG2 3.4Å; S29-V32 PolarHBondContact O-N 3.21Å; P30-V32 VanDerWaalsContact C-N 3.33Å; P30-V32 PolarHBondContact O-N 3.14Å; V32-Y54 WeakPolarHBondContact CB-O 3.41Å; V32-Y54 WeakPolarHBondContact CG2-O 3.18Å; V32-Y54 PolarHBondContact O-N 3.17Å; V32-L57 HydrophobicContact CG1-CB 4.42Å
33V95.6Very high94.5Very high0 Ų078.7 Ų78.70%041%0.409CS..EExtended strand (participates in β ladder)trans-103.6122.4178.6-174.10000111R19 L22 A23 P30 L52 V53R19-V33 HydrophobicContact CB-CB 4.43Å; R19-V33 HydrophobicContact CB-CG1 4.43Å; R19-V33 HydrophobicContact CG-CB 4.41Å; R19-V33 HydrophobicContact CG-CG1 4.24Å; R19-V33 WeakPolarHBondContact CG-O 3.49Å; R19-V33 PolarHBondContact NE-O 2.95Å; L22-V33 HydrophobicContact CB-CG1 3.89Å; L22-V33 HydrophobicContact CD1-CG1 3.97Å; A23-V33 HydrophobicContact CB-CG2 4.08Å; P30-V33 PolarHBondContact O-N 3.29Å; V33-L52 WeakPolarHBondContact CA-O 3.48Å; V33-V53 HydrophobicContact CG1-CG2 4.35Å; V33-V53 HydrophobicContact CG2-CG2 4.22Å
34F95.2Very high94.3Very high4 Ų480 Ų802%0.01842%0.423CS..EExtended strand (participates in β ladder)trans-116.5102.7-180-72.1-98.4000110.9D31 A51 L52 Y54 A60 E64 R68 L69 N72 L74D31-F34 WeakPolarHBondContact O-CE2 3.13Å; F34-A51 CarbonylContact O-C 3.59Å; F34-A51 VanDerWaalsContact O-CA 3.28Å; F34-A51 WeakPolarHBondContact O-CA 3.48Å; F34-L52 HydrophobicContact CB-CB 4.44Å; F34-L52 PolarHBondContact N-O 2.86Å; F34-L52 PolarHBondContact O-N 2.82Å; F34-Y54 AromaticContact CD2-CD2 3.83Å; F34-Y54 HydrophobicContact CD2-CD2 3.83Å; F34-Y54 AromaticContact CD2-CE2 3.85Å; F34-Y54 HydrophobicContact CD2-CE2 3.85Å; F34-Y54 HydrophobicContact CE2-CD2 4.14Å; F34-Y54 HydrophobicContact CE2-CE2 4.33Å; F34-Y54 HydrophobicContact CG-CE2 4.5Å; F34-A60 HydrophobicContact CE2-CB 3.64Å; F34-A60 HydrophobicContact CZ-CB 4.15Å; F34-E64 VanDerWaalsContact CB-OE1 3.3Å; F34-E64 WeakPolarHBondContact CB-OE1 3.48Å; F34-E64 HydrophobicContact CD1-CG 3.88Å; F34-E64 HydrophobicContact CD2-CG 4.11Å; F34-E64 HydrophobicContact CE1-CB 4.45Å; F34-E64 HydrophobicContact CE1-CG 3.97Å; F34-E64 HydrophobicContact CE2-CG 4.22Å; F34-E64 HydrophobicContact CG-CG 3.95Å; F34-E64 WeakPolarHBondContact CG-OE1 3.34Å; F34-E64 HydrophobicContact CZ-CG 4.13Å; F34-R68 HydrophobicContact CD1-CB 4.28Å; F34-L69 HydrophobicContact CE1-CD2 3.94Å; F34-L69 HydrophobicContact CZ-CD2 3.81Å; F34-N72 VanDerWaalsContact CD1-ND2 3.35Å; F34-N72 WeakPolarHBondContact CD1-ND2 3.14Å; F34-N72 HydrophobicContact CE1-CB 4.36Å; F34-N72 WeakPolarHBondContact CE1-ND2 3.49Å; F34-L74 HydrophobicContact CE1-CD1 4.38Å; F34-L74 HydrophobicContact CZ-CD1 3.71Å
35A95Very high94.1Very high12 Ų1273.8 Ų73.810%0.09941%0.405CS..EExtended strand (participates in β ladder)trans-94.3122.217800000110.6I18 R19 F38I18-A35 HydrophobicContact CG2-CB 4.01Å; R19-A35 HydrophobicContact CG-CB 3.99Å; A35-F38 HydrophobicContact CB-CE2 3.75Å; A35-F38 HydrophobicContact CB-CZ 4.44Å
36Y94.7Very high94Very high51 Ų5171.6 Ų71.620%0.239%0.387CS..EExtended strand (participates in β ladder)trans-148.1169.1-178.266.2-89.6000113.3F38 F50 L52 R68Y36-F38 PolarHBondContact O-N 3.01Å; Y36-F50 HydrophobicContact CD1-CB 4.4Å; Y36-F50 HydrophobicContact CD2-CB 3.99Å; Y36-F50 HydrophobicContact CD2-CD2 4.43Å; Y36-F50 HydrophobicContact CE1-CB 3.99Å; Y36-F50 HydrophobicContact CE2-CB 3.53Å; Y36-F50 HydrophobicContact CE2-CD2 4.05Å; Y36-F50 AromaticContact CE2-CG 3.99Å; Y36-F50 HydrophobicContact CE2-CG 3.99Å; Y36-F50 HydrophobicContact CG-CB 4.41Å; Y36-F50 PolarHBondContact N-O 3.01Å; Y36-F50 PolarHBondContact O-N 3.48Å; Y36-L52 HydrophobicContact CE1-CD1 3.75Å; Y36-L52 HydrophobicContact CE1-CG 3.86Å; Y36-R68 VanDerWaalsContact CG-NH2 3.3Å
37G94.8Very high94.1Very high45 Ų4566 Ų6646%0.46436%0.364SS..EExtended strand (participates in β ladder)trans70.510.7172.200000115.8R39G37-R39 PolarHBondContact O-N 3.22Å
38F95.7Very high94.2Very high40 Ų4059.3 Ų59.318%0.17534%0.341CS..EExtended strand (participates in β ladder)trans-60.5126.9179.1-72.4-86.4000112.2V3 I5 I18 A35 Y36 T48V3-F38 HydrophobicContact CB-CE1 4.11Å; V3-F38 HydrophobicContact CB-CZ 4.01Å; V3-F38 HydrophobicContact CG1-CE1 4.14Å; V3-F38 HydrophobicContact CG1-CZ 4.16Å; I5-F38 HydrophobicContact CD1-CD1 3.84Å; I5-F38 HydrophobicContact CD1-CE1 3.34Å; I5-F38 HydrophobicContact CD1-CZ 4.13Å; I5-F38 HydrophobicContact CG1-CE1 4.01Å; I18-F38 HydrophobicContact CD1-CD1 4.32Å; I18-F38 HydrophobicContact CD1-CD2 4.46Å; I18-F38 HydrophobicContact CD1-CE1 4.13Å; I18-F38 HydrophobicContact CD1-CE2 4.3Å; I18-F38 HydrophobicContact CD1-CG 4.49Å; I18-F38 HydrophobicContact CD1-CZ 4.11Å; I18-F38 HydrophobicContact CG2-CE2 4.42Å; I18-F38 HydrophobicContact CG2-CZ 3.92Å; A35-F38 HydrophobicContact CB-CE2 3.75Å; A35-F38 HydrophobicContact CB-CZ 4.44Å; Y36-F38 PolarHBondContact O-N 3.01Å; F38-T48 CarbonylContact C-O 3.56Å; F38-T48 VanDerWaalsContact CA-O 3.24Å; F38-T48 WeakPolarHBondContact CA-O 3.46Å
39R94.9Very high94.3Very high203 Ų20357.1 Ų57.177%0.76633%0.327SS*.EExtended strand (participates in β ladder)trans-126.7133.2169.8-68-171.8174.7-166.8-1.2108.8G37 S47 T48G37-R39 PolarHBondContact O-N 3.22Å; R39-S47 CarbonylContact O-C 3.51Å; R39-S47 WeakPolarHBondContact O-CA 3.46Å; R39-T48 PolarHBondContact N-O 2.84Å; R39-T48 PolarHBondContact O-N 2.84Å
40T94.9Very high94.5Very high66 Ų6659.1 Ų59.141%0.40533%0.33SS..EExtended strand (participates in β ladder)trans-84.1137.4175.6-53.20000109.5V12 S47V12-T40 HydrophobicContact CG2-CG2 3.98Å; V12-T40 WeakPolarHBondContact CG2-OG1 3.44Å; T40-S47 WeakPolarHBondContact CA-OG 3.2Å; T40-S47 WeakPolarHBondContact CB-OG 3.24Å; T40-S47 PolarHBondContact OG1-OG 2.96Å
41Q93.7Very high94.6Very high116 Ų11656.8 Ų56.854%0.54231%0.314SS..PPolyproline II helixtrans-64.2146.2174.8-173.5170.1-10.800110.1G43 G44 K46Q41-G43 PolarHBondContact O-N 3.49Å; Q41-G44 PolarHBondContact O-N 2.89Å; Q41-K46 HydrophobicContact CB-CB 4.28Å; Q41-K46 WeakPolarHBondContact CB-O 3.33Å; Q41-K46 PolarHBondContact N-O 2.95Å
42F93.3Very high94.8Very high208 Ų20855.8 Ų55.891%0.91231%0.308SS*.THydrogen-bonded Turntrans-58.2135.5172.9-176.8-98.6000110.2G44F42-G44 VanDerWaalsContact C-N 3.29Å
43G91.2Very high94.8Very high79 Ų7957.7 Ų57.781%0.81432%0.32SS*.THydrogen-bonded Turntrans84.3-7.2-17100000115Q41Q41-G43 PolarHBondContact O-N 3.49Å
44G91.5Very high94.8Very high33 Ų3359.5 Ų59.534%0.3433%0.327SS..SBendtrans79.7-164.3177.800000114Q41 F42 K46Q41-G44 PolarHBondContact O-N 2.89Å; F42-G44 VanDerWaalsContact C-N 3.29Å; G44-K46 PolarHBondContact O-N 2.93Å
45G92Very high94.7Very high31 Ų3166.5 Ų66.532%0.3237%0.365SS..SBendtrans77.4-23.417600000116.6H7H7-G45 CarbonylContact C-O 3.56Å; H7-G45 PolarHBondContact N-O 2.79Å
46K95.1Very high94.7Very high58 Ų5867.7 Ų67.725%0.25237%0.373SS..EExtended strand (participates in β ladder)trans-135.4140173.7-174.9173-178.1178.80111.3D4 I5 L6 Q41 G44 T48D4-K46 VanDerWaalsContact CG-CE 3.49Å; D4-K46 WeakPolarHBondContact OD2-CE 3.09Å; D4-K46 IonicContact OD2-NZ 3.65Å; D4-K46 PolarHBondContact OD2-NZ 2.83Å; I5-K46 CarbonylContact O-C 3.57Å; I5-K46 WeakPolarHBondContact O-CA 3.5Å; L6-K46 HydrophobicContact CD2-CB 4.25Å; L6-K46 HydrophobicContact CD2-CD 4.07Å; L6-K46 HydrophobicContact CD2-CG 4.02Å; Q41-K46 HydrophobicContact CB-CB 4.28Å; Q41-K46 WeakPolarHBondContact CB-O 3.33Å; Q41-K46 PolarHBondContact N-O 2.95Å; G44-K46 PolarHBondContact O-N 2.93Å; K46-T48 HydrophobicContact CD-CG2 4.38Å; K46-T48 HydrophobicContact CG-CG2 4.29Å
47S96.4Very high94.6Very high0 Ų068.3 Ų68.30%038%0.379CS..EExtended strand (participates in β ladder)trans-129.8134.9167.6-64.10000110.5I5 H7 R39 T40I5-S47 PolarHBondContact N-O 3.33Å; I5-S47 PolarHBondContact O-N 3.48Å; H7-S47 WeakPolarHBondContact NE2-CB 3.37Å; H7-S47 PolarHBondContact NE2-N 3.48Å; H7-S47 PolarHBondContact NE2-OG 3.02Å; R39-S47 CarbonylContact O-C 3.51Å; R39-S47 WeakPolarHBondContact O-CA 3.46Å; T40-S47 WeakPolarHBondContact CA-OG 3.2Å; T40-S47 WeakPolarHBondContact CB-OG 3.24Å; T40-S47 PolarHBondContact OG1-OG 2.96Å
48T96.9Very high94.5Very high59 Ų5971.4 Ų71.436%0.36239%0.385SS..EExtended strand (participates in β ladder)trans-117139.2-179.766.20000109.8V3 D4 F38 R39 K46V3-T48 WeakPolarHBondContact O-CA 3.35Å; D4-T48 WeakPolarHBondContact OD1-CB 3.43Å; D4-T48 WeakPolarHBondContact OD1-CG2 3.28Å; F38-T48 CarbonylContact C-O 3.56Å; F38-T48 VanDerWaalsContact CA-O 3.24Å; F38-T48 WeakPolarHBondContact CA-O 3.46Å; R39-T48 PolarHBondContact N-O 2.84Å; R39-T48 PolarHBondContact O-N 2.84Å; K46-T48 HydrophobicContact CD-CG2 4.38Å; K46-T48 HydrophobicContact CG-CG2 4.29Å
49G96.6Very high94.4Very high3 Ų373.3 Ų73.33%0.03139%0.394CS..EExtended strand (participates in β ladder)trans-161.5-163.2-179.500000112.1V2 V3V2-G49 WeakPolarHBondContact CA-O 3.3Å; V3-G49 PolarHBondContact N-O 2.96Å; V3-G49 PolarHBondContact O-N 2.94Å
50F97Very high94.4Very high98 Ų9863.6 Ų63.643%0.4336%0.358SS..EExtended strand (participates in β ladder)trans-124.9146.3-179.1-60.8-83.7000110.4M1 V2 Y36M1-F50 WeakPolarHBondContact O-CA 3.42Å; V2-F50 HydrophobicContact CG2-CD1 4.23Å; V2-F50 HydrophobicContact CG2-CE1 3.93Å; Y36-F50 HydrophobicContact CD1-CB 4.4Å; Y36-F50 HydrophobicContact CD2-CB 3.99Å; Y36-F50 HydrophobicContact CD2-CD2 4.43Å; Y36-F50 HydrophobicContact CE1-CB 3.99Å; Y36-F50 HydrophobicContact CE2-CB 3.53Å; Y36-F50 HydrophobicContact CE2-CD2 4.05Å; Y36-F50 AromaticContact CE2-CG 3.99Å; Y36-F50 HydrophobicContact CE2-CG 3.99Å; Y36-F50 HydrophobicContact CG-CB 4.41Å; Y36-F50 PolarHBondContact N-O 3.01Å; Y36-F50 PolarHBondContact O-N 3.48Å
51A96.2Very high94.3Very high0 Ų065.1 Ų65.10%036%0.358CS..EExtended strand (participates in β ladder)trans-132.5143.3167.600000111.2M1 V3 L22 F34M1-A51 HydrophobicContact CE-CB 3.96Å; M1-A51 HydrophobicContact CG-CB 4.23Å; M1-A51 PolarHBondContact N-O 3.09Å; M1-A51 PolarHBondContact O-N 2.79Å; V3-A51 HydrophobicContact CG2-CB 3.49Å; V3-A51 VanDerWaalsContact CG2-CB 3.49Å; L22-A51 HydrophobicContact CD1-CB 3.53Å; F34-A51 CarbonylContact O-C 3.59Å; F34-A51 VanDerWaalsContact O-CA 3.28Å; F34-A51 WeakPolarHBondContact O-CA 3.48Å
52L95.7Very high94.3Very high56 Ų5666.9 Ų66.929%0.29336%0.364SS..EExtended strand (participates in β ladder)trans-114.8137.3167.8-64.2169000108V33 F34 Y36 Y54 E64V33-L52 WeakPolarHBondContact CA-O 3.48Å; F34-L52 HydrophobicContact CB-CB 4.44Å; F34-L52 PolarHBondContact N-O 2.86Å; F34-L52 PolarHBondContact O-N 2.82Å; Y36-L52 HydrophobicContact CE1-CD1 3.75Å; Y36-L52 HydrophobicContact CE1-CG 3.86Å; L52-Y54 HydrophobicContact CB-CE2 4.03Å; L52-E64 WeakPolarHBondContact CD1-OE1 3.39Å
53V95.6Very high94.3Very high49 Ų4963.3 Ų63.330%0.29735%0.349SS..EExtended strand (participates in β ladder)trans-120.9120.6174.1-179.70000105.5M1 Y26 T28 V33M1-V53 HydrophobicContact CE-CG2 3.39Å; Y26-V53 HydrophobicContact CD2-CG2 4.19Å; Y26-V53 HydrophobicContact CG-CG2 4.49Å; T28-V53 HydrophobicContact CG2-CG1 3.99Å; V33-V53 HydrophobicContact CG1-CG2 4.35Å; V33-V53 HydrophobicContact CG2-CG2 4.22Å
54Y95.6Very high94.4Very high38 Ų3860.1 Ų60.115%0.14931%0.313CS..  trans-98.5152.5177.3-69.5-85.3000110.4V32 F34 L52 S56 H59 A60 F63 E64V32-Y54 WeakPolarHBondContact CB-O 3.41Å; V32-Y54 WeakPolarHBondContact CG2-O 3.18Å; V32-Y54 PolarHBondContact O-N 3.17Å; F34-Y54 AromaticContact CD2-CD2 3.83Å; F34-Y54 HydrophobicContact CD2-CD2 3.83Å; F34-Y54 AromaticContact CD2-CE2 3.85Å; F34-Y54 HydrophobicContact CD2-CE2 3.85Å; F34-Y54 HydrophobicContact CE2-CD2 4.14Å; F34-Y54 HydrophobicContact CE2-CE2 4.33Å; F34-Y54 HydrophobicContact CG-CE2 4.5Å; L52-Y54 HydrophobicContact CB-CE2 4.03Å; Y54-S56 VanDerWaalsContact C-N 3.33Å; Y54-H59 HydrophobicContact CD1-CB 4.16Å; Y54-A60 HydrophobicContact CD1-CB 4.44Å; Y54-A60 HydrophobicContact CD2-CB 3.64Å; Y54-A60 HydrophobicContact CE2-CB 4.19Å; Y54-A60 HydrophobicContact CG-CB 3.79Å; Y54-F63 HydrophobicContact CE1-CB 4.02Å; Y54-F63 HydrophobicContact CE1-CD2 4.33Å; Y54-E64 HydrophobicContact CE2-CG 3.56Å; Y54-E64 WeakPolarHBondContact OH-CG 3.24Å; Y54-E64 PolarHBondContact OH-OE1 3.41Å
55D93.3Very high94.5Very high152 Ų15263.5 Ų63.581%0.81332%0.321SS*.SBendtrans-70.2-33.1175-52-42.7000111.9
56S93.4Very high94.5Very high37 Ų3769.8 Ų69.826%0.25934%0.339SS..SBendtrans-141.8155.7-177.679.80000112.3Y54 D58 H59 A60Y54-S56 VanDerWaalsContact C-N 3.33Å; S56-D58 PolarHBondContact O-N 3.38Å; S56-H59 PolarHBondContact O-N 3.43Å; S56-H59 VanDerWaalsContact OG-CG 3.27Å; S56-H59 PolarHBondContact OG-N 3.02Å; S56-H59 VanDerWaalsContact OG-N 3.16Å; S56-A60 PolarHBondContact O-N 3.17Å; S56-A60 VanDerWaalsContact O-N 3.09Å
57L92.4Very high94.3Very high63 Ų6372.1 Ų72.133%0.3335%0.347SS..Hα-helixtrans-65.8-28.1175.4-167.671.5000112.1D31 V32 A60 K61 L74D31-L57 HydrophobicContact CB-CD1 4.01Å; V32-L57 HydrophobicContact CG1-CB 4.42Å; L57-A60 PolarHBondContact O-N 3.16Å; L57-K61 WeakPolarHBondContact O-CG 3.47Å; L57-K61 PolarHBondContact O-N 3.41Å; L57-L74 HydrophobicContact CD1-CD1 3.97Å; L57-L74 HydrophobicContact CD1-CD2 4.09Å
58D93.9Very high94.2Very high111 Ų11173.4 Ų73.459%0.59435%0.352SS*.Hα-helixtrans-67.8-46.7177.1-172.568.8000111.2S56 A60 K61 K62S56-D58 PolarHBondContact O-N 3.38Å; D58-A60 VanDerWaalsContact C-N 3.31Å; D58-A60 PolarHBondContact O-N 3.48Å; D58-K61 PolarHBondContact O-N 3.19Å; D58-K61 VanDerWaalsContact O-N 3.17Å; D58-K62 WeakPolarHBondContact O-CB 3.37Å; D58-K62 PolarHBondContact O-N 3Å
59H93.8Very high94Very high79 Ų7970.9 Ų70.937%0.36634%0.336SS..Hα-helixtrans-59.3-45173.5-67175000110.9Y54 S56 K61 K62 F63Y54-H59 HydrophobicContact CD1-CB 4.16Å; S56-H59 PolarHBondContact O-N 3.43Å; S56-H59 VanDerWaalsContact OG-CG 3.27Å; S56-H59 PolarHBondContact OG-N 3.02Å; S56-H59 VanDerWaalsContact OG-N 3.16Å; H59-K61 VanDerWaalsContact C-N 3.35Å; H59-K61 PolarHBondContact O-N 3.39Å; H59-K62 PolarHBondContact O-N 3.28Å; H59-F63 HydrophobicContact CB-CD2 4.27Å; H59-F63 HydrophobicContact CB-CE2 4.37Å; H59-F63 WeakPolarHBondContact O-CD2 3.34Å; H59-F63 PolarHBondContact O-N 3.17Å
60A93.3Very high93.8Very high0 Ų072.4 Ų72.40%035%0.349CS..Hα-helixtrans-56.4-47.9175.300000111.7F34 Y54 S56 L57 D58 K62 E64F34-A60 HydrophobicContact CE2-CB 3.64Å; F34-A60 HydrophobicContact CZ-CB 4.15Å; Y54-A60 HydrophobicContact CD1-CB 4.44Å; Y54-A60 HydrophobicContact CD2-CB 3.64Å; Y54-A60 HydrophobicContact CE2-CB 4.19Å; Y54-A60 HydrophobicContact CG-CB 3.79Å; S56-A60 PolarHBondContact O-N 3.17Å; S56-A60 VanDerWaalsContact O-N 3.09Å; L57-A60 PolarHBondContact O-N 3.16Å; D58-A60 VanDerWaalsContact C-N 3.31Å; D58-A60 PolarHBondContact O-N 3.48Å; A60-K62 VanDerWaalsContact C-N 3.31Å; A60-K62 PolarHBondContact O-N 3.04Å; A60-E64 WeakPolarHBondContact O-CB 3.34Å; A60-E64 PolarHBondContact O-N 2.83Å
61K93.3Very high93.5Very high97 Ų9774.4 Ų74.442%0.42235%0.353SS..Hα-helixtrans-64.9-32.7178.9-75.9176.1179.5176.50113.4L57 D58 H59 L69L57-K61 WeakPolarHBondContact O-CG 3.47Å; L57-K61 PolarHBondContact O-N 3.41Å; D58-K61 PolarHBondContact O-N 3.19Å; D58-K61 VanDerWaalsContact O-N 3.17Å; H59-K61 VanDerWaalsContact C-N 3.35Å; H59-K61 PolarHBondContact O-N 3.39Å; K61-L69 HydrophobicContact CG-CD2 4.34Å
62K94.1Very high93.2Very high154 Ų15476 Ų7667%0.6736%0.362SS*.Hα-helixtrans-73.4-42.1-180-174175.3-179177.40112.6D58 H59 A60D58-K62 WeakPolarHBondContact O-CB 3.37Å; D58-K62 PolarHBondContact O-N 3Å; H59-K62 PolarHBondContact O-N 3.28Å; A60-K62 VanDerWaalsContact C-N 3.31Å; A60-K62 PolarHBondContact O-N 3.04Å
63F94.2Very high92.9Very high133 Ų13382.7 Ų82.758%0.58339%0.388SS*.Hα-helixtrans-100.3-27.7-171.3-63.2-65.6000114.2Y54 H59Y54-F63 HydrophobicContact CE1-CB 4.02Å; Y54-F63 HydrophobicContact CE1-CD2 4.33Å; H59-F63 HydrophobicContact CB-CD2 4.27Å; H59-F63 HydrophobicContact CB-CE2 4.37Å; H59-F63 WeakPolarHBondContact O-CD2 3.34Å; H59-F63 PolarHBondContact O-N 3.17Å
64E92.7Very high92.6Very high12 Ų1282.3 Ų82.36%0.05639%0.385CS..SBendtrans-72150.5-179.5-81.5-71178.700113.2F34 L52 Y54 A60 K66 R68 L69F34-E64 VanDerWaalsContact CB-OE1 3.3Å; F34-E64 WeakPolarHBondContact CB-OE1 3.48Å; F34-E64 HydrophobicContact CD1-CG 3.88Å; F34-E64 HydrophobicContact CD2-CG 4.11Å; F34-E64 HydrophobicContact CE1-CB 4.45Å; F34-E64 HydrophobicContact CE1-CG 3.97Å; F34-E64 HydrophobicContact CE2-CG 4.22Å; F34-E64 HydrophobicContact CG-CG 3.95Å; F34-E64 WeakPolarHBondContact CG-OE1 3.34Å; F34-E64 HydrophobicContact CZ-CG 4.13Å; L52-E64 WeakPolarHBondContact CD1-OE1 3.39Å; Y54-E64 HydrophobicContact CE2-CG 3.56Å; Y54-E64 WeakPolarHBondContact OH-CG 3.24Å; Y54-E64 PolarHBondContact OH-OE1 3.41Å; A60-E64 WeakPolarHBondContact O-CB 3.34Å; A60-E64 PolarHBondContact O-N 2.83Å; E64-K66 PolarHBondContact O-N 3.34Å; E64-R68 IonicContact OE1-NH1 2.92Å; E64-R68 WeakPolarHBondContact OE2-CD 3.16Å; E64-R68 IonicContact OE2-CZ 2.79Å; E64-R68 IonicContact OE2-NE 3.6Å; E64-R68 IonicContact OE2-NH1 3.79Å; E64-R68 PolarHBondContact OE2-NH1 3.43Å; E64-R68 VanDerWaalsContact OE2-NH1 3.16Å; E64-L69 HydrophobicContact CB-CD2 3.9Å; E64-L69 HydrophobicContact CB-CG 4.04Å
65M92.5Very high92.2Very high104 Ų10483.2 Ų83.251%0.51239%0.394SS..  trans-67.9134.6175.6-55.5174.893.200109.9Y67 R68 L69M65-Y67 HydrophobicContact CB-CD1 3.67Å; M65-Y67 HydrophobicContact CB-CE1 3.33Å; M65-Y67 HydrophobicContact CE-CE1 3.76Å; M65-Y67 HydrophobicContact CG-CE1 3.96Å; M65-Y67 PolarHBondContact O-N 2.98Å; M65-Y67 HydrophobicContact SD-CE1 3.42Å; M65-Y67 WeakPolarHBondContact SD-CE1 2.94Å; M65-Y67 PolarHBondContact SD-OH 3.39Å; M65-R68 HydrophobicContact CB-CG 4.46Å; M65-R68 WeakPolarHBondContact O-CB 3.46Å; M65-R68 PolarHBondContact O-N 3.32Å; M65-L69 PolarHBondContact O-N 3.16Å
66K92.2Very high92Very high163 Ų16382.4 Ų82.471%0.70940%0.395SS*.Hα-helixtrans-50.4-36.4-175.6-64.7-174.3179.9-177.40114.8E64 R68 L69 A70E64-K66 PolarHBondContact O-N 3.34Å; K66-R68 VanDerWaalsContact C-N 3.31Å; K66-R68 PolarHBondContact O-N 2.9Å; K66-L69 PolarHBondContact O-N 2.85Å; K66-A70 WeakPolarHBondContact O-CB 3.36Å; K66-A70 PolarHBondContact O-N 3.17Å
67Y92.3Very high91.5Very high106 Ų10684.5 Ų84.542%0.41641%0.406SS..Hα-helixtrans-69-2817973.8-89.3000112.9M65 R71M65-Y67 HydrophobicContact CB-CD1 3.67Å; M65-Y67 HydrophobicContact CB-CE1 3.33Å; M65-Y67 HydrophobicContact CE-CE1 3.76Å; M65-Y67 HydrophobicContact CG-CE1 3.96Å; M65-Y67 PolarHBondContact O-N 2.98Å; M65-Y67 HydrophobicContact SD-CE1 3.42Å; M65-Y67 WeakPolarHBondContact SD-CE1 2.94Å; M65-Y67 PolarHBondContact SD-OH 3.39Å; Y67-R71 VanDerWaalsContact CE2-NH2 3.33Å; Y67-R71 WeakPolarHBondContact O-CG 3.45Å; Y67-R71 PolarHBondContact O-N 3.39Å
68R92.6Very high91Very high27 Ų2785.8 Ų85.810%0.10242%0.418CS..Hα-helixtrans-74.3-42.8175.4-65.3175.5173.7-168.31.5110.7F34 Y36 E64 M65 K66 A70 R71 N72F34-R68 HydrophobicContact CD1-CB 4.28Å; Y36-R68 VanDerWaalsContact CG-NH2 3.3Å; E64-R68 IonicContact OE1-NH1 2.92Å; E64-R68 WeakPolarHBondContact OE2-CD 3.16Å; E64-R68 IonicContact OE2-CZ 2.79Å; E64-R68 IonicContact OE2-NE 3.6Å; E64-R68 IonicContact OE2-NH1 3.79Å; E64-R68 PolarHBondContact OE2-NH1 3.43Å; E64-R68 VanDerWaalsContact OE2-NH1 3.16Å; M65-R68 HydrophobicContact CB-CG 4.46Å; M65-R68 WeakPolarHBondContact O-CB 3.46Å; M65-R68 PolarHBondContact O-N 3.32Å; K66-R68 VanDerWaalsContact C-N 3.31Å; K66-R68 PolarHBondContact O-N 2.9Å; R68-A70 VanDerWaalsContact C-N 3.27Å; R68-A70 PolarHBondContact O-N 3.4Å; R68-R71 PolarHBondContact O-N 3.43Å; R68-N72 PolarHBondContact O-N 2.94Å
69L93.3Very high90.2Very high6 Ų686.8 Ų86.83%0.03143%0.431CS..Hα-helixtrans-56.6-43.8171.3-62.1175.8000111.3F34 K61 E64 M65 K66 N72 K73 L74 V75F34-L69 HydrophobicContact CE1-CD2 3.94Å; F34-L69 HydrophobicContact CZ-CD2 3.81Å; K61-L69 HydrophobicContact CG-CD2 4.34Å; E64-L69 HydrophobicContact CB-CD2 3.9Å; E64-L69 HydrophobicContact CB-CG 4.04Å; M65-L69 PolarHBondContact O-N 3.16Å; K66-L69 PolarHBondContact O-N 2.85Å; L69-N72 CarbonylContact O-C 3.59Å; L69-N72 PolarHBondContact O-N 3.2Å; L69-K73 PolarHBondContact O-N 2.84Å; L69-K73 VanDerWaalsContact O-N 3.17Å; L69-L74 HydrophobicContact CB-CB 4.4Å; L69-L74 HydrophobicContact CD2-CB 4.45Å; L69-L74 HydrophobicContact CD2-CD1 3.95Å; L69-L74 PolarHBondContact O-N 3.32Å; L69-V75 HydrophobicContact CB-CB 4.11Å; L69-V75 HydrophobicContact CB-CG2 3.88Å; L69-V75 HydrophobicContact CD1-CG2 4.01Å
70A92.2Very high89.7Confident35 Ų3591 Ų9129%0.28945%0.448SS..Hα-helixtrans-64-41.7176.500000113K66 R68 N72 K73 V75 V77K66-A70 WeakPolarHBondContact O-CB 3.36Å; K66-A70 PolarHBondContact O-N 3.17Å; R68-A70 VanDerWaalsContact C-N 3.27Å; R68-A70 PolarHBondContact O-N 3.4Å; A70-N72 VanDerWaalsContact C-N 3.27Å; A70-N72 PolarHBondContact O-N 2.91Å; A70-K73 PolarHBondContact O-N 3.01Å; A70-V75 WeakPolarHBondContact CA-O 3.42Å; A70-V77 HydrophobicContact CB-CG2 3.96Å
71R90.8Very high89.5Confident141 Ų14192.9 Ų92.953%0.53247%0.467SS..Hα-helixtrans-63.6-32.7175.3-74.9-169.3-58.9-163.36.9113Y67 R68 K73Y67-R71 VanDerWaalsContact CE2-NH2 3.33Å; Y67-R71 WeakPolarHBondContact O-CG 3.45Å; Y67-R71 PolarHBondContact O-N 3.39Å; R68-R71 PolarHBondContact O-N 3.43Å; R71-K73 VanDerWaalsContact C-N 3.25Å; R71-K73 PolarHBondContact O-N 3.47Å
72N90.1Very high89.5Confident33 Ų3396.9 Ų96.918%0.17648%0.479CS..THydrogen-bonded Turntrans-86.59.8174.4-70.210.4000112.9R19 F34 R68 L69 A70 L74R19-N72 VanDerWaalsContact CZ-ND2 3.34Å; R19-N72 PolarHBondContact NH1-OD1 3.45Å; F34-N72 VanDerWaalsContact CD1-ND2 3.35Å; F34-N72 WeakPolarHBondContact CD1-ND2 3.14Å; F34-N72 HydrophobicContact CE1-CB 4.36Å; F34-N72 WeakPolarHBondContact CE1-ND2 3.49Å; R68-N72 PolarHBondContact O-N 2.94Å; L69-N72 CarbonylContact O-C 3.59Å; L69-N72 PolarHBondContact O-N 3.2Å; A70-N72 VanDerWaalsContact C-N 3.27Å; A70-N72 PolarHBondContact O-N 2.91Å; N72-L74 HydrophobicContact CB-CD1 4.29Å; N72-L74 HydrophobicContact CB-CG 4.25Å; N72-L74 PolarHBondContact O-N 3Å
73K88.9Confident89.5Confident196 Ų19696.8 Ų96.885%0.85248%0.479SS*.THydrogen-bonded Turntrans60.721.2179-54177.4179.81780115.1L69 A70 R71L69-K73 PolarHBondContact O-N 2.84Å; L69-K73 VanDerWaalsContact O-N 3.17Å; A70-K73 PolarHBondContact O-N 3.01Å; R71-K73 VanDerWaalsContact C-N 3.25Å; R71-K73 PolarHBondContact O-N 3.47Å
74L88.9Confident89.4Confident41 Ų4196.1 Ų96.122%0.21548%0.481CS..SBendtrans-86.5-21.1-179.9-63.5175.1000113.5F34 L57 L69 N72F34-L74 HydrophobicContact CE1-CD1 4.38Å; F34-L74 HydrophobicContact CZ-CD1 3.71Å; L57-L74 HydrophobicContact CD1-CD1 3.97Å; L57-L74 HydrophobicContact CD1-CD2 4.09Å; L69-L74 HydrophobicContact CB-CB 4.4Å; L69-L74 HydrophobicContact CD2-CB 4.45Å; L69-L74 HydrophobicContact CD2-CD1 3.95Å; L69-L74 PolarHBondContact O-N 3.32Å; N72-L74 HydrophobicContact CB-CD1 4.29Å; N72-L74 HydrophobicContact CB-CG 4.25Å; N72-L74 PolarHBondContact O-N 3Å
75V89.1Confident89.3Confident57 Ų57103.9 Ų103.935%0.34551%0.51SS..SBendtrans-143.1134.1-178.7175.80000109.7L69 A70L69-V75 HydrophobicContact CB-CB 4.11Å; L69-V75 HydrophobicContact CB-CG2 3.88Å; L69-V75 HydrophobicContact CD1-CG2 4.01Å; A70-V75 WeakPolarHBondContact CA-O 3.42Å
76T88.3Confident89.5Confident135 Ų135103.7 Ų103.783%0.82851%0.506SS*.  trans-89.4122.7170.5-59.50000109.8
77V83Confident89.5Confident81 Ų8199.6 Ų99.649%0.49149%0.49SS..  trans-98113.1176-179.20000108.7A70 P79A70-V77 HydrophobicContact CB-CG2 3.96Å; V77-P79 WeakPolarHBondContact O-CD 3.5Å
78P82.5Confident89.5Confident90 Ų90103.7 Ų103.758%0.58450%0.504SS*.  trans-68.6126.6-178.525.9-32.9000110.7K80P78-K80 PolarHBondContact O-N 3.03Å
79P76.2Confident89.5Confident133 Ų133107.8 Ų107.886%0.86452%0.523SS*.  trans-76.496.6178.330.4-32.9000109.5V77V77-P79 WeakPolarHBondContact O-CD 3.5Å
80K82.6Confident89.5Confident168 Ų168111.5 Ų111.573%0.7354%0.543SS*.  trans-107.9114.9166.9-73.8-178.1176.3169.10109.6P78P78-K80 PolarHBondContact O-N 3.03Å
81G89.5Confident89.5Confident39 Ų39117 Ų11740%0.40256%0.56SS.*  trans-58.1139.4179.800000112.8K83 L84 R85G81-K83 PolarHBondContact O-N 3.25Å; G81-L84 PolarHBondContact O-N 3.25Å; G81-R85 PolarHBondContact O-N 2.95Å
82R93.2Very high89.4Confident180 Ų180113.1 Ų113.168%0.67956%0.558SS**Hα-helixtrans-58.3-36.2-179.2-171.6178.9-176.6-167.40.9112.1K86R82-K86 WeakPolarHBondContact O-CG 3.41Å; R82-K86 PolarHBondContact O-N 3.32Å; R82-K86 VanDerWaalsContact O-N 3.16Å
83K94.3Very high89.4Confident153 Ų153119 Ų11967%0.66558%0.582SS**Hα-helixtrans-62.4-55.4177.7-176.3177.6174.9-179.10111.5G81 R85 K86 E87G81-K83 PolarHBondContact O-N 3.25Å; K83-R85 VanDerWaalsContact C-N 3.29Å; K83-R85 PolarHBondContact O-N 3.2Å; K83-K86 WeakPolarHBondContact O-CA 2.95Å; K83-K86 WeakPolarHBondContact O-CB 3.35Å; K83-K86 PolarHBondContact O-N 3.16Å; K83-E87 WeakPolarHBondContact CE-OE1 3.47Å; K83-E87 HydrophobicContact CG-CG 4.49Å; K83-E87 WeakPolarHBondContact CG-OE1 3.46Å; K83-E87 PolarHBondContact O-N 2.99Å
84L92Very high89.4Confident119 Ų119118.6 Ų118.662%0.62358%0.58SS**Hα-helixtrans-56.1-40.8178.6-64.6173.6000112.6G81 K86 E87 R88G81-L84 PolarHBondContact O-N 3.25Å; L84-K86 PolarHBondContact O-N 2.88Å; L84-E87 PolarHBondContact O-N 2.9Å; L84-R88 WeakPolarHBondContact O-CB 3.43Å; L84-R88 PolarHBondContact O-N 3.5Å
85R91.5Very high89.1Confident174 Ų174120 Ų12066%0.65759%0.587SS**Hα-helixtrans-64-40.6176.3-172.9174.363.9170.1-0.8112.2G81 K83 K89G81-R85 PolarHBondContact O-N 2.95Å; K83-R85 VanDerWaalsContact C-N 3.29Å; K83-R85 PolarHBondContact O-N 3.2Å; R85-K89 WeakPolarHBondContact O-CB 3.5Å; R85-K89 PolarHBondContact O-N 2.88Å; R85-K89 VanDerWaalsContact O-N 3.09Å
86K95.3Very high88.9Confident100 Ų100128.4 Ų128.444%0.43561%0.613SS.*Hα-helixtrans-69.4-41.7177.5-76-179.1174.6-1720111.6R82 K83 L84 K89 N90R82-K86 WeakPolarHBondContact O-CG 3.41Å; R82-K86 PolarHBondContact O-N 3.32Å; R82-K86 VanDerWaalsContact O-N 3.16Å; K83-K86 WeakPolarHBondContact O-CA 2.95Å; K83-K86 WeakPolarHBondContact O-CB 3.35Å; K83-K86 PolarHBondContact O-N 3.16Å; L84-K86 PolarHBondContact O-N 2.88Å; K86-K89 WeakPolarHBondContact O-CB 3.43Å; K86-K89 PolarHBondContact O-N 3.18Å; K86-N90 WeakPolarHBondContact O-CB 3.43Å; K86-N90 VanDerWaalsContact O-CG 3.24Å; K86-N90 PolarHBondContact O-N 3.41Å; K86-N90 PolarHBondContact O-OD1 3.45Å
87E93.5Very high88.6Confident78 Ų78125 Ų12536%0.36461%0.605SS.*Hα-helixtrans-62.5-46.5176.2-72.4173.1-17800111.7K83 L84 K89 N90 K91K83-E87 WeakPolarHBondContact CE-OE1 3.47Å; K83-E87 HydrophobicContact CG-CG 4.49Å; K83-E87 WeakPolarHBondContact CG-OE1 3.46Å; K83-E87 PolarHBondContact O-N 2.99Å; L84-E87 PolarHBondContact O-N 2.9Å; E87-K89 VanDerWaalsContact C-N 3.32Å; E87-K89 PolarHBondContact O-N 3.31Å; E87-N90 PolarHBondContact O-N 3.45Å; E87-K91 WeakPolarHBondContact O-CG 3.48Å; E87-K91 PolarHBondContact O-N 3.09Å
88R91.2Very high88.5Confident192 Ų192128.3 Ų128.373%0.72563%0.625SS**Hα-helixtrans-58.5-44174.6-175-180174.2-177-0.8111.7L84 K91 A92L84-R88 WeakPolarHBondContact O-CB 3.43Å; L84-R88 PolarHBondContact O-N 3.5Å; R88-K91 PolarHBondContact O-N 3.5Å; R88-A92 WeakPolarHBondContact O-CB 3.41Å; R88-A92 PolarHBondContact O-N 2.94Å
89K93.7Very high88.1Confident112 Ų112132 Ų13249%0.48763%0.632SS.*Hα-helixtrans-59.2-47.1175.2-175.8-168.570.4170.40111.2R85 K86 E87 K91 A92 K93R85-K89 WeakPolarHBondContact O-CB 3.5Å; R85-K89 PolarHBondContact O-N 2.88Å; R85-K89 VanDerWaalsContact O-N 3.09Å; K86-K89 WeakPolarHBondContact O-CB 3.43Å; K86-K89 PolarHBondContact O-N 3.18Å; E87-K89 VanDerWaalsContact C-N 3.32Å; E87-K89 PolarHBondContact O-N 3.31Å; K89-K91 PolarHBondContact O-N 3.4Å; K89-A92 PolarHBondContact O-N 2.99Å; K89-K93 WeakPolarHBondContact O-CG 3.48Å; K89-K93 PolarHBondContact O-N 3.21Å
90N93.8Very high87.9Confident85 Ų85130.6 Ų130.646%0.45562%0.621SS.*Hα-helixtrans-67.8-34-178.7-69-7000112.3K86 E87K86-N90 WeakPolarHBondContact O-CB 3.43Å; K86-N90 VanDerWaalsContact O-CG 3.24Å; K86-N90 PolarHBondContact O-N 3.41Å; K86-N90 PolarHBondContact O-OD1 3.45Å; E87-N90 PolarHBondContact O-N 3.45Å
91K90.2Very high87.2Confident151 Ų151131.3 Ų131.366%0.65762%0.624SS**Hα-helixtrans-66.1-45.8171.1-71.5179180-1770111.6E87 R88 K89 K93 K94E87-K91 WeakPolarHBondContact O-CG 3.48Å; E87-K91 PolarHBondContact O-N 3.09Å; R88-K91 PolarHBondContact O-N 3.5Å; K89-K91 PolarHBondContact O-N 3.4Å; K91-K93 VanDerWaalsContact C-N 3.3Å; K91-K93 PolarHBondContact O-N 3.12Å; K91-K94 PolarHBondContact O-N 3.17Å; K91-K94 VanDerWaalsContact O-N 3.12Å
92A89Confident85.8Confident58 Ų58136.6 Ų136.648%0.47964%0.636SS.*Hα-helixtrans-61.7-36.1178.600000112.7R88 K89 K94 I95R88-A92 WeakPolarHBondContact O-CB 3.41Å; R88-A92 PolarHBondContact O-N 2.94Å; K89-A92 PolarHBondContact O-N 2.99Å; A92-K94 PolarHBondContact O-N 3.12Å; A92-K94 VanDerWaalsContact O-N 3.17Å; A92-I95 PolarHBondContact O-N 3.37Å; A92-I95 VanDerWaalsContact O-N 3.12Å
93K90.9Very high84.1Confident156 Ų156131.4 Ų131.468%0.67863%0.627SS**THydrogen-bonded Turntrans-59.5-22.4175.1-78-177.4172-158.40114.5K89 K91 I95K89-K93 WeakPolarHBondContact O-CG 3.48Å; K89-K93 PolarHBondContact O-N 3.21Å; K91-K93 VanDerWaalsContact C-N 3.3Å; K91-K93 PolarHBondContact O-N 3.12Å; K93-I95 VanDerWaalsContact C-N 3.32Å
94K88Confident82.2Confident189 Ų189134 Ų13482%0.82264%0.638SS**THydrogen-bonded Turntrans-81.4-11179-61.6-174-177.8-170.20113.2K91 A92K91-K94 PolarHBondContact O-N 3.17Å; K91-K94 VanDerWaalsContact O-N 3.12Å; A92-K94 PolarHBondContact O-N 3.12Å; A92-K94 VanDerWaalsContact O-N 3.17Å
95I83.7Confident80.3Confident71 Ų71137.4 Ų137.436%0.36465%0.648SS.*  trans-97.2127.4-176.2-56.8170.3000108.8A92 K93 K99 V100A92-I95 PolarHBondContact O-N 3.37Å; A92-I95 VanDerWaalsContact O-N 3.12Å; K93-I95 VanDerWaalsContact C-N 3.32Å; I95-K99 WeakPolarHBondContact CG2-O 3.4Å; I95-V100 HydrophobicContact CD1-CG2 3.57Å; I95-V100 HydrophobicContact CG1-CG2 3.96Å; I95-V100 HydrophobicContact CG2-CG2 4.48Å
96R84.4Confident78.7Confident232 Ų232134.5 Ų134.588%0.87565%0.646SS**  trans-96.9115.4169.5-173.7174.3-179.71700.3109.3
97G81.4Confident76.2Confident65 Ų65137 Ų13767%0.6768%0.675SS**SBendtrans99.2-170.9-175.900000113.4
98T80.8Confident75.4Confident149 Ų149139.9 Ų139.991%0.91469%0.691SS**SBendtrans-79-26.1-17749.90000113.6
99K74Confident74.5Confident169 Ų169137.2 Ų137.274%0.73569%0.689SS**SBendtrans-124.7150.2-179.1-65.7-176.2-179.2178.60110.2I95 K101I95-K99 WeakPolarHBondContact CG2-O 3.4Å; K99-K101 PolarHBondContact O-N 3.01Å
100V73.2Confident73.5Confident102 Ų102138.6 Ų138.662%0.61870%0.701SS**  trans-57.8122.6163.7-175.60000106.6I95 K102I95-V100 HydrophobicContact CD1-CG2 3.57Å; I95-V100 HydrophobicContact CG1-CG2 3.96Å; I95-V100 HydrophobicContact CG2-CG2 4.48Å; V100-K102 PolarHBondContact O-N 3.32Å
101K66.6Low72.3Confident184 Ų184141.7 Ų141.780%0.872%0.715SS**  trans-62.3107.9165.8-73.8-171.4177.6-173.20106K99 S103K99-K101 PolarHBondContact O-N 3.01Å; K101-S103 PolarHBondContact O-N 3.26Å
102K61Low71.1Confident150 Ų150141.1 Ų141.165%0.65272%0.719SS**  trans-53125.4166.5-77.2-171.9171.9-167.60106.4V100V100-K102 PolarHBondContact O-N 3.32Å
103S57.3Low70Confident71 Ų71146.7 Ų146.750%0.49774%0.735SS.*  trans-61.9150.4165.360.10000106.8K101 K105 D106K101-S103 PolarHBondContact O-N 3.26Å; S103-K105 PolarHBondContact O-N 2.78Å; S103-D106 PolarHBondContact O-N 3.19Å
104K54Low68.5Low207 Ų207146 Ų14690%0.974%0.739SS**THydrogen-bonded Turntrans-56.4-1.8178.4-80.7-176.8172.8-177.90114.4
105K52.5Low67Low190 Ų190142.7 Ų142.783%0.82673%0.732SS**THydrogen-bonded Turntrans-90-13.9-176.5-133.3177.6-176.8-178.30113.9S103S103-K105 PolarHBondContact O-N 2.78Å
106D58.2Low65.6Low113 Ų113148.7 Ų148.760%0.60476%0.763SS**  trans-109.424.2-179-59.8-32.1000112.9S103S103-D106 PolarHBondContact O-N 3.19Å
107S43.2Very low63.8Low152 Ų152141.1 Ų141.1100%1.06375%0.753SS**  trans-123.60170.6-590000108.2

Retrieved 107 of 107 residues in 41.2 ms (Link to these results)