A0A5K4F9G7_SCHMA Loading...

UPF0506 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9G7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 67 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
1M29.7Very low61.6Low240 Ų240129.4 Ų129.4100%1.18264%0.637SS**  0102.50-148.3175.5-163.800106
2L44.4Very low64.4Low164 Ų164126.3 Ų126.386%0.85962%0.624SS**  -142.8117.784.8-72.1149.4000107.3K4L2-K4 PolarHBondContact O-N 2.97Å
3L51.9Low66.6Low135 Ų135120.5 Ų120.571%0.70762%0.617SS**  trans-50.1104.9166.8-81.1161.1000107.1M5 Y7L3-M5 HydrophobicContact CB-CG 3.94Å; L3-M5 HydrophobicContact CB-SD 4.13Å; L3-M5 HydrophobicContact CD1-SD 4.29Å; L3-M5 PolarHBondContact O-N 3.27Å; L3-Y7 VanDerWaalsContact O-CE2 3.27Å; L3-Y7 WeakPolarHBondContact O-CE2 3.42Å
4K44.5Very low68.5Low205 Ų205114.7 Ų114.789%0.89159%0.592SS**  trans-74.262.1174.9-144.4164.6-177.8168.60105.8L2 N6L2-K4 PolarHBondContact O-N 2.97Å; K4-N6 PolarHBondContact O-N 2.8Å
5M51.9Low69.9Low86 Ų86112.1 Ų112.142%0.42459%0.588SS.*  trans-6966.5-178.5-84.7166.988.800108.4L3 Y7 F21L3-M5 HydrophobicContact CB-CG 3.94Å; L3-M5 HydrophobicContact CB-SD 4.13Å; L3-M5 HydrophobicContact CD1-SD 4.29Å; L3-M5 PolarHBondContact O-N 3.27Å; M5-Y7 HydrophobicContact CB-CD2 4.18Å; M5-Y7 HydrophobicContact CB-CE2 3.81Å; M5-Y7 WeakPolarHBondContact O-CA 3.26Å; M5-Y7 PolarHBondContact O-N 3.22Å; M5-F21 HydrophobicContact CE-CD1 4.06Å; M5-F21 HydrophobicContact CE-CE1 3.46Å; M5-F21 VanDerWaalsContact CE-CE1 3.46Å; M5-F21 HydrophobicContact CE-CZ 4.47Å
6N51.6Low71.2Confident126 Ų126105.1 Ų105.167%0.67455%0.551SS**  trans19.757.3179.4-145.4-58.1000111.8K4 C8K4-N6 PolarHBondContact O-N 2.8Å; N6-C8 PolarHBondContact O-N 3.44Å; N6-C8 WeakPolarHBondContact OD1-CB 3.39Å; N6-C8 PolarHBondContact OD1-SG 2.68Å
7Y57.7Low71.9Confident143 Ų143101.5 Ų101.556%0.56154%0.535SS*.  trans-72.928.4-174.9-72.1-79.7000109.7L3 M5 C9L3-Y7 VanDerWaalsContact O-CE2 3.27Å; L3-Y7 WeakPolarHBondContact O-CE2 3.42Å; M5-Y7 HydrophobicContact CB-CD2 4.18Å; M5-Y7 HydrophobicContact CB-CE2 3.81Å; M5-Y7 WeakPolarHBondContact O-CA 3.26Å; M5-Y7 PolarHBondContact O-N 3.22Å; Y7-C9 PolarHBondContact O-N 3.15Å
8C76.2Confident71.5Confident76 Ų7698.1 Ų98.151%0.51453%0.528SS..  trans-60.4107.2171.5-69.10000105.7N6 Q10N6-C8 PolarHBondContact O-N 3.44Å; N6-C8 WeakPolarHBondContact OD1-CB 3.39Å; N6-C8 PolarHBondContact OD1-SG 2.68Å; C8-Q10 PolarHBondContact O-NE2 3.2Å; C8-Q10 VanDerWaalsContact O-NE2 3.13Å
9C87.5Confident71.2Confident42 Ų4296.3 Ų96.328%0.28452%0.521SS..PPolyproline II helixtrans-59.3153168.661.10000108.9Y7 R23 C25Y7-C9 PolarHBondContact O-N 3.15Å; C9-R23 CarbonylContact C-O 3.51Å; C9-R23 WeakPolarHBondContact CA-O 3.48Å; C9-R23 HydrophobicContact CB-CG 4.14Å; C9-C25 VanDerWaalsContact CA-SG 3.57Å; C9-C25 HydrophobicContact CB-CB 3.8Å; C9-C25 WeakPolarHBondContact CB-SG 3.01Å; C9-C25 PolarHBondContact O-SG 2.77Å; C9-C25 WeakPolarHBondContact SG-CA 3.48Å; C9-C25 WeakPolarHBondContact SG-CB 3.5Å; C9-C25 CovalentContact SG-SG 2.03Å; C9-C25 PolarHBondContact SG-SG 2.03Å
10Q89.5Confident70.9Confident48 Ų4896.8 Ų96.822%0.22453%0.527CS..BIsolated β-bridgetrans-88.6135.1-173.3-58.8-58.9-41.700109.6C8 S15 R22 R23 C25 C40C8-Q10 PolarHBondContact O-NE2 3.2Å; C8-Q10 VanDerWaalsContact O-NE2 3.13Å; Q10-S15 WeakPolarHBondContact CG-O 3.43Å; Q10-R22 HydrophobicContact CG-CB 4.13Å; Q10-R23 PolarHBondContact N-O 3.38Å; Q10-C25 PolarHBondContact O-N 2.79Å; Q10-C40 WeakPolarHBondContact CB-SG 3.38Å
11K93.1Very high70.9Confident158 Ų15898 Ų9869%0.68753%0.527SS*.PPolyproline II helixtrans-75.4169.5178.9-65.4-178.2-178.61780110.3G13 S14 C40K11-G13 PolarHBondContact O-N 2.92Å; K11-S14 WeakPolarHBondContact O-CB 3.39Å; K11-S14 PolarHBondContact O-N 2.85Å; K11-S14 PolarHBondContact O-OG 3.47Å; K11-C40 VanDerWaalsContact O-CB 3.29Å; K11-C40 WeakPolarHBondContact O-CB 3.43Å
12L94.9Very high73.3Confident93 Ų9392.9 Ų92.949%0.48750%0.495SS..THydrogen-bonded Turntrans-52.1134.4173.1-175.971.4000110.2S14 L28L12-S14 PolarHBondContact O-N 3.5Å; L12-L28 HydrophobicContact CB-CD1 4.24Å; L12-L28 HydrophobicContact CB-CD2 4.3Å; L12-L28 HydrophobicContact CD1-CD2 3.74Å
13G93Very high75.3Confident51 Ų5192.8 Ų92.853%0.52648%0.483SS..THydrogen-bonded Turntrans77.1-6.1-177.800000115.4K11 C40K11-G13 PolarHBondContact O-N 2.92Å; G13-C40 PolarHBondContact N-O 2.88Å
14S92.4Very high77.2Confident39 Ų3987.1 Ų87.127%0.27345%0.454SS..  trans-82.5151.2175.7-56.10000111.3K11 L12 C40K11-S14 WeakPolarHBondContact O-CB 3.39Å; K11-S14 PolarHBondContact O-N 2.85Å; K11-S14 PolarHBondContact O-OG 3.47Å; L12-S14 PolarHBondContact O-N 3.5Å; S14-C40 PolarHBondContact O-N 2.82Å
15S90.5Very high79.5Confident75 Ų7579 Ų7952%0.52442%0.423SS..EExtended strand (participates in β ladder)trans-70.3139.5179.4-52.70000112.6Q10 G38Q10-S15 WeakPolarHBondContact CG-O 3.43Å; S15-G38 CarbonylContact C-O 3.59Å; S15-G38 VanDerWaalsContact CA-O 3.24Å; S15-G38 WeakPolarHBondContact CA-O 2.83Å
16C90.8Very high81.3Confident1 Ų178.8 Ų78.81%0.00744%0.443CS..EExtended strand (participates in β ladder)trans-123.3159.6173.3520000110.2R22 C30 A37 G38C16-R22 VanDerWaalsContact CA-O 3.29Å; C16-R22 WeakPolarHBondContact CA-O 2.96Å; C16-R22 WeakPolarHBondContact CB-O 3.4Å; C16-C30 HydrophobicContact CB-CB 3.95Å; C16-C30 WeakPolarHBondContact CB-SG 3.08Å; C16-C30 WeakPolarHBondContact SG-CA 3.26Å; C16-C30 WeakPolarHBondContact SG-CB 2.96Å; C16-C30 CovalentContact SG-SG 2.02Å; C16-C30 PolarHBondContact SG-SG 3.46Å; C16-A37 CarbonylContact O-C 3.53Å; C16-G38 PolarHBondContact N-O 3.43Å; C16-G38 PolarHBondContact O-N 3.47Å; C16-G38 PolarHBondContact SG-O 3.01Å
17T82.5Confident83.2Confident44 Ų4482.4 Ų82.427%0.2745%0.453SS..  trans-121.47179.353.50000112.4T19T17-T19 PolarHBondContact O-N 2.86Å; T17-T19 PolarHBondContact OG1-OG1 2.02Å
18G64.1Low85Confident40 Ų4077.1 Ų77.141%0.41243%0.434SS..SBendtrans65.3-16.8-173.900000117Y32G18-Y32 WeakPolarHBondContact CA-OH 3.31Å
19T67Low85.8Confident64 Ų6475.2 Ų75.239%0.39342%0.418SS..SBendtrans-74156.6167.8690000110T17 F21 R22T17-T19 PolarHBondContact O-N 2.86Å; T17-T19 PolarHBondContact OG1-OG1 2.02Å; T19-F21 PolarHBondContact O-N 3.32Å; T19-F21 WeakPolarHBondContact OG1-CD2 3.41Å; T19-R22 PolarHBondContact O-N 3.48Å
20V65Low86Confident105 Ų10574.2 Ų74.264%0.63641%0.412SS*.G310 helixtrans-55.4-17.3175.3-81.10000114.1
21F69.7Low86.3Confident122 Ų12272 Ų7254%0.53540%0.401SS..G310 helixtrans-73.1-32.9-179.2-56.9-63.9000113.7M5 T19M5-F21 HydrophobicContact CE-CD1 4.06Å; M5-F21 HydrophobicContact CE-CE1 3.46Å; M5-F21 VanDerWaalsContact CE-CE1 3.46Å; M5-F21 HydrophobicContact CE-CZ 4.47Å; T19-F21 PolarHBondContact O-N 3.32Å; T19-F21 WeakPolarHBondContact OG1-CD2 3.41Å
22R80.4Confident86.1Confident134 Ų13469.3 Ų69.351%0.50639%0.387SS..G310 helixtrans-133.660.5179.1-62-174.6-176.8162.1-0.2111Q10 C16 T19Q10-R22 HydrophobicContact CG-CB 4.13Å; C16-R22 VanDerWaalsContact CA-O 3.29Å; C16-R22 WeakPolarHBondContact CA-O 2.96Å; C16-R22 WeakPolarHBondContact CB-O 3.4Å; T19-R22 PolarHBondContact O-N 3.48Å
23R88Confident85.5Confident162 Ų16268.1 Ų68.161%0.61138%0.382SS*.PPolyproline II helixtrans-76.8148.1175.276-179.9-154.5171.25.7111.3C9 Q10C9-R23 CarbonylContact C-O 3.51Å; C9-R23 WeakPolarHBondContact CA-O 3.48Å; C9-R23 HydrophobicContact CB-CG 4.14Å; Q10-R23 PolarHBondContact N-O 3.38Å
24C91.3Very high84.7Confident15 Ų1575.2 Ų75.210%0.10140%0.403CS..BIsolated β-bridgetrans-72.5153.4172.4-550000112.3L28 C40C24-L28 HydrophobicContact CB-CB 3.55Å; C24-C40 WeakPolarHBondContact CA-SG 3.08Å; C24-C40 HydrophobicContact CB-CB 3.74Å; C24-C40 WeakPolarHBondContact CB-SG 3.35Å; C24-C40 WeakPolarHBondContact SG-CA 3.34Å; C24-C40 WeakPolarHBondContact SG-CB 3.13Å; C24-C40 CovalentContact SG-SG 2.03Å; C24-C40 PolarHBondContact SG-SG 2.83Å
25C91.8Very high83.9Confident34 Ų3481.2 Ų81.223%0.2343%0.432CS..SBendtrans-76.4140.7179.7-700000113.3C9 Q10 K27 L28C9-C25 VanDerWaalsContact CA-SG 3.57Å; C9-C25 HydrophobicContact CB-CB 3.8Å; C9-C25 WeakPolarHBondContact CB-SG 3.01Å; C9-C25 PolarHBondContact O-SG 2.77Å; C9-C25 WeakPolarHBondContact SG-CA 3.48Å; C9-C25 WeakPolarHBondContact SG-CB 3.5Å; C9-C25 CovalentContact SG-SG 2.03Å; C9-C25 PolarHBondContact SG-SG 2.03Å; Q10-C25 PolarHBondContact O-N 2.79Å; C25-K27 PolarHBondContact O-N 3.36Å; C25-K27 VanDerWaalsContact O-N 3.16Å; C25-L28 HydrophobicContact CB-CD1 4.38Å; C25-L28 VanDerWaalsContact O-CB 3.26Å; C25-L28 WeakPolarHBondContact O-CB 3.04Å; C25-L28 VanDerWaalsContact O-CG 3.3Å; C25-L28 WeakPolarHBondContact O-CG 3.3Å; C25-L28 PolarHBondContact O-N 3.03Å
26G90Very high83.2Confident82 Ų8279.7 Ų79.785%0.84543%0.428SS*.THydrogen-bonded Turntrans59.1-117.5169.400000112.6
27K92.2Very high82.9Confident203 Ų20381.7 Ų81.788%0.88344%0.444SS*.THydrogen-bonded Turntrans-96.62.9-178.8-62.7-178.1-179.2177.20113.7C25C25-K27 PolarHBondContact O-N 3.36Å; C25-K27 VanDerWaalsContact O-N 3.16Å
28L94.3Very high83.4Confident32 Ų3279.6 Ų79.617%0.16843%0.432CS..  trans-65145.5177-65.3175.6000110.6L12 C24 C25 C40 Q41 N42L12-L28 HydrophobicContact CB-CD1 4.24Å; L12-L28 HydrophobicContact CB-CD2 4.3Å; L12-L28 HydrophobicContact CD1-CD2 3.74Å; C24-L28 HydrophobicContact CB-CB 3.55Å; C25-L28 HydrophobicContact CB-CD1 4.38Å; C25-L28 VanDerWaalsContact O-CB 3.26Å; C25-L28 WeakPolarHBondContact O-CB 3.04Å; C25-L28 VanDerWaalsContact O-CG 3.3Å; C25-L28 WeakPolarHBondContact O-CG 3.3Å; C25-L28 PolarHBondContact O-N 3.03Å; L28-C40 HydrophobicContact CB-CB 4.49Å; L28-C40 HydrophobicContact CD1-CB 4.38Å; L28-Q41 WeakPolarHBondContact CA-O 3.42Å; L28-N42 WeakPolarHBondContact CD2-OD1 3.4Å
29L93.9Very high84.9Confident35 Ų3579.4 Ų79.418%0.18342%0.423CS..EExtended strand (participates in β ladder)trans-110.4141.9-177.4-61.3169.2000109.2E31 C40 Q41 I44 Q55L29-E31 PolarHBondContact O-N 2.72Å; L29-C40 CarbonylContact O-C 3.57Å; L29-C40 WeakPolarHBondContact O-CA 3.43Å; L29-Q41 PolarHBondContact N-O 2.53Å; L29-Q41 PolarHBondContact O-N 3.31Å; L29-I44 HydrophobicContact CB-CD1 4.34Å; L29-I44 HydrophobicContact CB-CG1 4.07Å; L29-I44 HydrophobicContact CD1-CD1 4.45Å; L29-I44 HydrophobicContact CD1-CG1 4.15Å; L29-Q55 HydrophobicContact CD1-CB 3.67Å; L29-Q55 HydrophobicContact CD1-CG 3.88Å; L29-Q55 WeakPolarHBondContact CD1-O 3.29Å; L29-Q55 HydrophobicContact CD2-CG 4.07Å
30C92.7Very high86.2Confident21 Ų2176.4 Ų76.414%0.14240%0.404CS..EExtended strand (participates in β ladder)trans-85.4108.2172.4-171.20000108.5C16 Y32C16-C30 HydrophobicContact CB-CB 3.95Å; C16-C30 WeakPolarHBondContact CB-SG 3.08Å; C16-C30 WeakPolarHBondContact SG-CA 3.26Å; C16-C30 WeakPolarHBondContact SG-CB 2.96Å; C16-C30 CovalentContact SG-SG 2.02Å; C16-C30 PolarHBondContact SG-SG 3.46Å; C30-Y32 HydrophobicContact CB-CE1 4.49Å; C30-Y32 HydrophobicContact CB-CE2 4.21Å; C30-Y32 WeakPolarHBondContact O-CD2 3.41Å; C30-Y32 PolarHBondContact O-N 3.25Å
31E94.3Very high87.7Confident2 Ų273.6 Ų73.61%0.00938%0.384CS..EExtended strand (participates in β ladder)trans-82106169.8177.9175.295.600107.9L29 G38 T39 Q41 I44 R45 Y48L29-E31 PolarHBondContact O-N 2.72Å; E31-G38 CarbonylContact O-C 3.53Å; E31-G38 WeakPolarHBondContact O-CA 3.06Å; E31-T39 PolarHBondContact N-O 2.89Å; E31-T39 PolarHBondContact O-N 3.18Å; E31-Q41 HydrophobicContact CB-CG 3.94Å; E31-I44 HydrophobicContact CG-CG2 4.33Å; E31-R45 IonicContact OE1-CZ 3.22Å; E31-R45 VanDerWaalsContact OE1-CZ 3.22Å; E31-R45 IonicContact OE1-NE 2.87Å; E31-R45 PolarHBondContact OE1-NE 2.78Å; E31-R45 IonicContact OE1-NH2 2.72Å; E31-R45 PolarHBondContact OE1-NH2 3.09Å; E31-R45 VanDerWaalsContact OE2-CB 3.31Å; E31-R45 WeakPolarHBondContact OE2-CB 3.38Å; E31-R45 WeakPolarHBondContact OE2-CG 3.45Å; E31-R45 PolarHBondContact OE2-N 3.44Å; E31-R45 IonicContact OE2-NE 3.49Å; E31-R45 PolarHBondContact OE2-NE 3.09Å; E31-Y48 HydrophobicContact CG-CD1 3.38Å; E31-Y48 HydrophobicContact CG-CD2 4.14Å; E31-Y48 HydrophobicContact CG-CE1 3.73Å; E31-Y48 HydrophobicContact CG-CE2 4.46Å; E31-Y48 HydrophobicContact CG-CG 3.6Å
32Y89.5Confident89Confident101 Ų10173.3 Ų73.340%0.39639%0.388SS..EExtended strand (participates in β ladder)trans-80.4129.1-175.7-63.9-84.6000112.5G18 C30 A37 Y48G18-Y32 WeakPolarHBondContact CA-OH 3.31Å; C30-Y32 HydrophobicContact CB-CE1 4.49Å; C30-Y32 HydrophobicContact CB-CE2 4.21Å; C30-Y32 WeakPolarHBondContact O-CD2 3.41Å; C30-Y32 PolarHBondContact O-N 3.25Å; Y32-A37 CarbonylContact C-O 3.49Å; Y32-A37 WeakPolarHBondContact CA-O 3.45Å; Y32-Y48 WeakPolarHBondContact O-CD1 3.18Å; Y32-Y48 WeakPolarHBondContact O-CE1 3.05Å
33D83.3Confident89.7Confident68 Ų6868.5 Ų68.536%0.36438%0.375SS..  trans-75.5165.2163-55.8-62.8000110.2L35 G36 A37D33-L35 PolarHBondContact O-N 2.87Å; D33-G36 PolarHBondContact O-N 3.49Å; D33-A37 PolarHBondContact N-O 2.02Å
34M74.2Confident90.1Very high200 Ų20061.1 Ų61.199%0.98535%0.347SS*.THydrogen-bonded Turntrans-59.6-14.1-177.5-63.5-166.2176.800114.5
35L76.1Confident90.3Very high165 Ų16566.6 Ų66.686%0.86437%0.366SS*.THydrogen-bonded Turntrans-9811.8-176.7-60.2177.9000114.1D33 A37D33-L35 PolarHBondContact O-N 2.87Å; L35-A37 PolarHBondContact O-N 2.74Å; L35-A37 VanDerWaalsContact O-N 3.15Å
36G76.5Confident90.5Very high44 Ų4467.4 Ų67.445%0.45437%0.372SS..SBendtrans75.5-3.5178.800000114.9D33D33-G36 PolarHBondContact O-N 3.49Å
37A85.2Confident90.7Very high42 Ų4270.2 Ų70.235%0.34737%0.368SS..  trans-83.1164.9158.200000109.6C16 Y32 D33 L35C16-A37 CarbonylContact O-C 3.53Å; Y32-A37 CarbonylContact C-O 3.49Å; Y32-A37 WeakPolarHBondContact CA-O 3.45Å; D33-A37 PolarHBondContact N-O 2.02Å; L35-A37 PolarHBondContact O-N 2.74Å; L35-A37 VanDerWaalsContact O-N 3.15Å
38G92.6Very high90.8Very high1 Ų163.7 Ų63.71%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-158.7-177.2173.600000111.7S15 C16 E31S15-G38 CarbonylContact C-O 3.59Å; S15-G38 VanDerWaalsContact CA-O 3.24Å; S15-G38 WeakPolarHBondContact CA-O 2.83Å; C16-G38 PolarHBondContact N-O 3.43Å; C16-G38 PolarHBondContact O-N 3.47Å; C16-G38 PolarHBondContact SG-O 3.01Å; E31-G38 CarbonylContact O-C 3.53Å; E31-G38 WeakPolarHBondContact O-CA 3.06Å
39T94.1Very high90.7Very high36 Ų3665.2 Ų65.222%0.22136%0.356CS..EExtended strand (participates in β ladder)trans-124.1138.5177.2-56.60000110.4E31 Q41E31-T39 PolarHBondContact N-O 2.89Å; E31-T39 PolarHBondContact O-N 3.18Å; T39-Q41 PolarHBondContact O-N 3.47Å
40C94.7Very high90.7Very high0 Ų064 Ų640%035%0.349CS..EExtended strand (participates in β ladder)trans-71.3119.6175.1-66.10000111.2Q10 K11 G13 S14 C24 L28 L29Q10-C40 WeakPolarHBondContact CB-SG 3.38Å; K11-C40 VanDerWaalsContact O-CB 3.29Å; K11-C40 WeakPolarHBondContact O-CB 3.43Å; G13-C40 PolarHBondContact N-O 2.88Å; S14-C40 PolarHBondContact O-N 2.82Å; C24-C40 WeakPolarHBondContact CA-SG 3.08Å; C24-C40 HydrophobicContact CB-CB 3.74Å; C24-C40 WeakPolarHBondContact CB-SG 3.35Å; C24-C40 WeakPolarHBondContact SG-CA 3.34Å; C24-C40 WeakPolarHBondContact SG-CB 3.13Å; C24-C40 CovalentContact SG-SG 2.03Å; C24-C40 PolarHBondContact SG-SG 2.83Å; L28-C40 HydrophobicContact CB-CB 4.49Å; L28-C40 HydrophobicContact CD1-CB 4.38Å; L29-C40 CarbonylContact O-C 3.57Å; L29-C40 WeakPolarHBondContact O-CA 3.43Å
41Q96.4Very high90.8Very high47 Ų4770.2 Ų70.222%0.2238%0.378CS..EExtended strand (participates in β ladder)trans-125.8158.9-178.2-61.2-65.8-1.200111.5L28 L29 E31 T39 C43L28-Q41 WeakPolarHBondContact CA-O 3.42Å; L29-Q41 PolarHBondContact N-O 2.53Å; L29-Q41 PolarHBondContact O-N 3.31Å; E31-Q41 HydrophobicContact CB-CG 3.94Å; T39-Q41 PolarHBondContact O-N 3.47Å; Q41-C43 VanDerWaalsContact C-N 3.3Å; Q41-C43 WeakPolarHBondContact CB-O 3.29Å
42N96.7Very high90.8Very high115 Ų11576.9 Ų76.962%0.61541%0.407SS*.SBendtrans-72.4-28.2170.3-74.5-42.5000112.1L28L28-N42 WeakPolarHBondContact CD2-OD1 3.4Å
43C96.9Very high91.2Very high34 Ų3476.1 Ų76.123%0.2341%0.41CS..SBendtrans-153154.8176.859.30000109.2Q41 Q55 C57Q41-C43 VanDerWaalsContact C-N 3.3Å; Q41-C43 WeakPolarHBondContact CB-O 3.29Å; C43-Q55 CarbonylContact C-O 3.59Å; C43-Q55 VanDerWaalsContact CA-O 3.25Å; C43-Q55 WeakPolarHBondContact CA-O 3.02Å; C43-Q55 WeakPolarHBondContact CB-O 3.42Å; C43-C57 HydrophobicContact CB-CB 3.91Å; C43-C57 WeakPolarHBondContact CB-SG 3.5Å; C43-C57 PolarHBondContact O-SG 3.28Å; C43-C57 WeakPolarHBondContact SG-CA 3.24Å; C43-C57 WeakPolarHBondContact SG-CB 2.96Å; C43-C57 CovalentContact SG-SG 2.03Å; C43-C57 PolarHBondContact SG-SG 2.91Å
44I95.6Very high91.8Very high6 Ų676.8 Ų76.83%0.03142%0.42CS..BIsolated β-bridgetrans-88131.2-178.8-59.4177.8000108.7L29 E31 Y48 A49 Q55 C56 C57 C66L29-I44 HydrophobicContact CB-CD1 4.34Å; L29-I44 HydrophobicContact CB-CG1 4.07Å; L29-I44 HydrophobicContact CD1-CD1 4.45Å; L29-I44 HydrophobicContact CD1-CG1 4.15Å; E31-I44 HydrophobicContact CG-CG2 4.33Å; I44-Y48 HydrophobicContact CG2-CG 4.37Å; I44-A49 WeakPolarHBondContact CD1-O 3.07Å; I44-Q55 HydrophobicContact CD1-CB 4.1Å; I44-Q55 PolarHBondContact N-O 2.92Å; I44-C56 WeakPolarHBondContact O-CA 3.42Å; I44-C57 PolarHBondContact O-N 3.34Å; I44-C57 PolarHBondContact O-SG 3.02Å; I44-C66 HydrophobicContact CG2-CB 4.48Å
45R95.8Very high92.8Very high131 Ų13168.8 Ų68.849%0.49438%0.38SS..PPolyproline II helixtrans-74163.6179.6-67.4-177.5-77.1-177.9-1.7111.4E31 Y48 C66E31-R45 IonicContact OE1-CZ 3.22Å; E31-R45 VanDerWaalsContact OE1-CZ 3.22Å; E31-R45 IonicContact OE1-NE 2.87Å; E31-R45 PolarHBondContact OE1-NE 2.78Å; E31-R45 IonicContact OE1-NH2 2.72Å; E31-R45 PolarHBondContact OE1-NH2 3.09Å; E31-R45 VanDerWaalsContact OE2-CB 3.31Å; E31-R45 WeakPolarHBondContact OE2-CB 3.38Å; E31-R45 WeakPolarHBondContact OE2-CG 3.45Å; E31-R45 PolarHBondContact OE2-N 3.44Å; E31-R45 IonicContact OE2-NE 3.49Å; E31-R45 PolarHBondContact OE2-NE 3.09Å; R45-Y48 HydrophobicContact CB-CD2 4.09Å; R45-Y48 HydrophobicContact CB-CE2 4.4Å; R45-Y48 WeakPolarHBondContact O-CB 3.2Å; R45-Y48 PolarHBondContact O-N 3.45Å; R45-C66 VanDerWaalsContact O-CB 3.3Å; R45-C66 WeakPolarHBondContact O-CB 3.47Å
46S95.7Very high93.8Very high50 Ų5060.9 Ų60.935%0.3534%0.339SS..THydrogen-bonded Turntrans-59149.1177.5-53.80000111.5Y48 C66 V67S46-Y48 VanDerWaalsContact C-N 3.26Å; S46-Y48 WeakPolarHBondContact O-CD2 3.25Å; S46-Y48 PolarHBondContact O-N 3.49Å; S46-C66 CarbonylContact C-O 3.41Å; S46-C66 VanDerWaalsContact CA-O 3.26Å; S46-C66 WeakPolarHBondContact CA-O 3.27Å; S46-V67 WeakPolarHBondContact CB-OXT 3.02Å; S46-V67 PolarHBondContact OG-OXT 2.75Å
47N93.7Very high94.8Very high142 Ų14261.7 Ų61.776%0.75934%0.337SS*.THydrogen-bonded Turntrans71.46.1-174.5-51.9-69.3000116.1C66N47-C66 PolarHBondContact N-O 2.03Å
48Y93.7Very high95.4Very high65 Ų6561.7 Ų61.726%0.25533%0.334SS..SBendtrans-103.8155173.7-72.3-94.4000112.2E31 Y32 I44 R45 S46 V65 C66E31-Y48 HydrophobicContact CG-CD1 3.38Å; E31-Y48 HydrophobicContact CG-CD2 4.14Å; E31-Y48 HydrophobicContact CG-CE1 3.73Å; E31-Y48 HydrophobicContact CG-CE2 4.46Å; E31-Y48 HydrophobicContact CG-CG 3.6Å; Y32-Y48 WeakPolarHBondContact O-CD1 3.18Å; Y32-Y48 WeakPolarHBondContact O-CE1 3.05Å; I44-Y48 HydrophobicContact CG2-CG 4.37Å; R45-Y48 HydrophobicContact CB-CD2 4.09Å; R45-Y48 HydrophobicContact CB-CE2 4.4Å; R45-Y48 WeakPolarHBondContact O-CB 3.2Å; R45-Y48 PolarHBondContact O-N 3.45Å; S46-Y48 VanDerWaalsContact C-N 3.26Å; S46-Y48 WeakPolarHBondContact O-CD2 3.25Å; S46-Y48 PolarHBondContact O-N 3.49Å; Y48-V65 CarbonylContact O-C 3.54Å; Y48-V65 WeakPolarHBondContact O-CA 3.3Å; Y48-C66 PolarHBondContact O-N 2.91Å
49A92.3Very high95.6Very high65 Ų6566.8 Ų66.854%0.53736%0.356SS..BIsolated β-bridgetrans-65.3139.3-175.900000112.4I44 L64I44-A49 WeakPolarHBondContact CD1-O 3.07Å; A49-L64 CarbonylContact C-O 3.55Å; A49-L64 VanDerWaalsContact CA-O 3.26Å; A49-L64 WeakPolarHBondContact CA-O 3.26Å
50C94.5Very high95.8Very high8 Ų872.6 Ų72.65%0.05438%0.375CS..  trans-144159.9177.560.80000111.6C56 C61 L64 V65 C66C50-C56 VanDerWaalsContact SG-SG 3.66Å; C50-C61 HydrophobicContact CB-CB 3.96Å; C50-C61 WeakPolarHBondContact CB-SG 3.21Å; C50-C61 PolarHBondContact O-SG 2.76Å; C50-C61 WeakPolarHBondContact SG-CA 3.45Å; C50-C61 WeakPolarHBondContact SG-CB 3.48Å; C50-C61 CovalentContact SG-SG 2.02Å; C50-C61 PolarHBondContact SG-SG 3.38Å; C50-L64 PolarHBondContact N-O 2.86Å; C50-L64 CarbonylContact O-C 3.49Å; C50-L64 WeakPolarHBondContact O-CA 3.19Å; C50-L64 WeakPolarHBondContact O-CD2 3.44Å; C50-L64 VanDerWaalsContact SG-C 3.59Å; C50-V65 PolarHBondContact SG-N 2.7Å; C50-V65 PolarHBondContact SG-O 2.94Å; C50-C66 VanDerWaalsContact CB-SG 3.5Å; C50-C66 PolarHBondContact SG-N 3.12Å
51M94.1Very high95.9Very high152 Ų15273.9 Ų73.975%0.74938%0.384SS*.SBendtrans-114.6-25.4172.4-64.9-172.9-74.600112.4
52K95.7Very high96Very high143 Ų14377.7 Ų77.762%0.62240%0.4SS*.SBendtrans-139.2144.6-177-60.8-177.1-178.2-177.70110.8S54 Q55K52-S54 PolarHBondContact O-N 3.22Å; K52-Q55 HydrophobicContact CB-CG 4.3Å; K52-Q55 VanDerWaalsContact O-CB 3.29Å; K52-Q55 WeakPolarHBondContact O-CB 3.12Å; K52-Q55 PolarHBondContact O-N 2.83Å
53N97.3Very high95.9Very high84 Ų8480.8 Ų80.845%0.44941%0.408SS..G310 helixtrans-48.8-42.6172.8-75.9-2000113Q55 C56 K59 C61N53-Q55 PolarHBondContact O-N 2.79Å; N53-Q55 VanDerWaalsContact O-N 3.09Å; N53-C56 PolarHBondContact O-N 2.03Å; N53-C56 VanDerWaalsContact O-N 3.09Å; N53-K59 WeakPolarHBondContact CB-O 3.45Å; N53-K59 CarbonylContact O-C 3.45Å; N53-K59 VanDerWaalsContact O-CA 3.3Å; N53-K59 WeakPolarHBondContact O-CA 2.98Å; N53-C61 WeakPolarHBondContact OD1-CA 3.02Å; N53-C61 WeakPolarHBondContact OD1-CB 3.29Å; N53-C61 PolarHBondContact OD1-N 2.98Å; N53-C61 PolarHBondContact OD1-O 3.13Å
54S95.9Very high95.8Very high83 Ų8385.1 Ų85.158%0.5843%0.428SS*.G310 helixtrans-61.7-21.6-178.356.60000114.4K52 K59K52-S54 PolarHBondContact O-N 3.22Å; S54-K59 PolarHBondContact O-NZ 3.24Å; S54-K59 VanDerWaalsContact O-NZ 3.1Å
55Q95.3Very high95.8Very high31 Ų3187.3 Ų87.315%0.14544%0.442CS..G310 helixtrans-73.8-33.4177.6-65.1178.3-57.700112.3L29 C43 I44 K52 N53L29-Q55 HydrophobicContact CD1-CB 3.67Å; L29-Q55 HydrophobicContact CD1-CG 3.88Å; L29-Q55 WeakPolarHBondContact CD1-O 3.29Å; L29-Q55 HydrophobicContact CD2-CG 4.07Å; C43-Q55 CarbonylContact C-O 3.59Å; C43-Q55 VanDerWaalsContact CA-O 3.25Å; C43-Q55 WeakPolarHBondContact CA-O 3.02Å; C43-Q55 WeakPolarHBondContact CB-O 3.42Å; I44-Q55 HydrophobicContact CD1-CB 4.1Å; I44-Q55 PolarHBondContact N-O 2.92Å; K52-Q55 HydrophobicContact CB-CG 4.3Å; K52-Q55 VanDerWaalsContact O-CB 3.29Å; K52-Q55 WeakPolarHBondContact O-CB 3.12Å; K52-Q55 PolarHBondContact O-N 2.83Å; N53-Q55 PolarHBondContact O-N 2.79Å; N53-Q55 VanDerWaalsContact O-N 3.09Å
56C97.6Very high95.8Very high0 Ų081.1 Ų81.10%042%0.418CS..BIsolated β-bridgetrans-75.1145.6-177.8-56.90000111.2I44 C50 N53 S58 K59 Y60 C66I44-C56 WeakPolarHBondContact O-CA 3.42Å; C50-C56 VanDerWaalsContact SG-SG 3.66Å; N53-C56 PolarHBondContact O-N 2.03Å; N53-C56 VanDerWaalsContact O-N 3.09Å; C56-S58 VanDerWaalsContact C-N 3.26Å; C56-K59 PolarHBondContact O-N 2.79Å; C56-K59 PolarHBondContact O-NZ 2.81Å; C56-K59 VanDerWaalsContact O-NZ 3.12Å; C56-Y60 PolarHBondContact SG-O 2.83Å; C56-C66 WeakPolarHBondContact CA-SG 3.39Å; C56-C66 HydrophobicContact CB-CB 3.71Å; C56-C66 WeakPolarHBondContact CB-SG 3.49Å; C56-C66 WeakPolarHBondContact SG-CA 3.3Å; C56-C66 WeakPolarHBondContact SG-CB 3.15Å; C56-C66 CovalentContact SG-SG 2.03Å; C56-C66 PolarHBondContact SG-SG 3.1Å
57C97.7Very high95.8Very high60 Ų6083.2 Ų83.241%0.40543%0.429SS..SBendtrans-64.4-37.4171.7-58.90000110.8C43 I44 K59C43-C57 HydrophobicContact CB-CB 3.91Å; C43-C57 WeakPolarHBondContact CB-SG 3.5Å; C43-C57 PolarHBondContact O-SG 3.28Å; C43-C57 WeakPolarHBondContact SG-CA 3.24Å; C43-C57 WeakPolarHBondContact SG-CB 2.96Å; C43-C57 CovalentContact SG-SG 2.03Å; C43-C57 PolarHBondContact SG-SG 2.91Å; I44-C57 PolarHBondContact O-N 3.34Å; I44-C57 PolarHBondContact O-SG 3.02Å; C57-K59 VanDerWaalsContact C-N 3.25Å; C57-K59 PolarHBondContact O-N 3.1Å
58S97.1Very high95.9Very high42 Ų4280.3 Ų80.329%0.29441%0.413SS..SBendtrans-71.5-15.517562.30000114.5C56 Y60 V67C56-S58 VanDerWaalsContact C-N 3.26Å; S58-Y60 WeakPolarHBondContact O-CD2 3.33Å; S58-Y60 WeakPolarHBondContact O-CE2 3.39Å; S58-Y60 PolarHBondContact O-N 3.29Å; S58-Y60 PolarHBondContact OG-N 3.39Å; S58-V67 WeakPolarHBondContact CB-O 3Å; S58-V67 PolarHBondContact OG-O 2.84Å
59K97.5Very high96Very high108 Ų10881.1 Ų81.147%0.4742%0.421SS..SBendtrans66.218.2-169.5-51.6-63168.9-146.90115.5N53 S54 C56 C57N53-K59 WeakPolarHBondContact CB-O 3.45Å; N53-K59 CarbonylContact O-C 3.45Å; N53-K59 VanDerWaalsContact O-CA 3.3Å; N53-K59 WeakPolarHBondContact O-CA 2.98Å; S54-K59 PolarHBondContact O-NZ 3.24Å; S54-K59 VanDerWaalsContact O-NZ 3.1Å; C56-K59 PolarHBondContact O-N 2.79Å; C56-K59 PolarHBondContact O-NZ 2.81Å; C56-K59 VanDerWaalsContact O-NZ 3.12Å; C57-K59 VanDerWaalsContact C-N 3.25Å; C57-K59 PolarHBondContact O-N 3.1Å
60Y97.6Very high96.2Very high158 Ų15882 Ų8262%0.6242%0.415SS*.  trans-125.8116.1175.6-64.3-80.4000111.1C56 S58 C66 V67C56-Y60 PolarHBondContact SG-O 2.83Å; S58-Y60 WeakPolarHBondContact O-CD2 3.33Å; S58-Y60 WeakPolarHBondContact O-CE2 3.39Å; S58-Y60 PolarHBondContact O-N 3.29Å; S58-Y60 PolarHBondContact OG-N 3.39Å; Y60-C66 WeakPolarHBondContact O-CA 3.37Å; Y60-V67 PolarHBondContact O-N 2.03Å
61C97.4Very high96.3Very high27 Ų2786.4 Ų86.418%0.18244%0.436CS..EExtended strand (participates in β ladder)trans-111.2106.7172.9-177.10000108.1C50 N53C50-C61 HydrophobicContact CB-CB 3.96Å; C50-C61 WeakPolarHBondContact CB-SG 3.21Å; C50-C61 PolarHBondContact O-SG 2.76Å; C50-C61 WeakPolarHBondContact SG-CA 3.45Å; C50-C61 WeakPolarHBondContact SG-CB 3.48Å; C50-C61 CovalentContact SG-SG 2.02Å; C50-C61 PolarHBondContact SG-SG 3.38Å; N53-C61 WeakPolarHBondContact OD1-CA 3.02Å; N53-C61 WeakPolarHBondContact OD1-CB 3.29Å; N53-C61 PolarHBondContact OD1-N 2.98Å; N53-C61 PolarHBondContact OD1-O 3.13Å
62K97.5Very high96.5Very high127 Ų12782.3 Ų82.355%0.55242%0.416SS*.EExtended strand (participates in β ladder)trans-123130.7-176-165.9-175.7-177.1-176.60109.1L64 V65 V67K62-L64 PolarHBondContact O-N 3.16Å; K62-V65 PolarHBondContact N-O 2.68Å; K62-V65 PolarHBondContact O-N 3.13Å; K62-V67 HydrophobicContact CB-CG2 3.64Å
63F95.6Very high96.5Very high181 Ų18178.2 Ų78.279%0.79440%0.402SS*.THydrogen-bonded Turntrans50.841.1-176.6-56.2-63.9000113.2V65F63-V65 PolarHBondContact O-N 3.05Å
64L94.3Very high96.5Very high124 Ų12477.8 Ų77.865%0.64940%0.399SS*.THydrogen-bonded Turntrans63.317.8-177.4-56.3172000115.2A49 C50 K62A49-L64 CarbonylContact C-O 3.55Å; A49-L64 VanDerWaalsContact CA-O 3.26Å; A49-L64 WeakPolarHBondContact CA-O 3.26Å; C50-L64 PolarHBondContact N-O 2.86Å; C50-L64 CarbonylContact O-C 3.49Å; C50-L64 WeakPolarHBondContact O-CA 3.19Å; C50-L64 WeakPolarHBondContact O-CD2 3.44Å; C50-L64 VanDerWaalsContact SG-C 3.59Å; K62-L64 PolarHBondContact O-N 3.16Å
65V95.3Very high96.5Very high53 Ų5377.4 Ų77.432%0.32139%0.385SS..EExtended strand (participates in β ladder)trans-128.2136.9178.4-178.10000109.7Y48 C50 K62 F63 V67Y48-V65 CarbonylContact O-C 3.54Å; Y48-V65 WeakPolarHBondContact O-CA 3.3Å; C50-V65 PolarHBondContact SG-N 2.7Å; C50-V65 PolarHBondContact SG-O 2.94Å; K62-V65 PolarHBondContact N-O 2.68Å; K62-V65 PolarHBondContact O-N 3.13Å; F63-V65 PolarHBondContact O-N 3.05Å; V65-V67 PolarHBondContact O-N 2.75Å
66C96.5Very high96.6Very high0 Ų081.3 Ų81.30%041%0.405CS..EExtended strand (participates in β ladder)trans-68130.7172-710000109.4I44 R45 S46 N47 Y48 C50 C56 Y60I44-C66 HydrophobicContact CG2-CB 4.48Å; R45-C66 VanDerWaalsContact O-CB 3.3Å; R45-C66 WeakPolarHBondContact O-CB 3.47Å; S46-C66 CarbonylContact C-O 3.41Å; S46-C66 VanDerWaalsContact CA-O 3.26Å; S46-C66 WeakPolarHBondContact CA-O 3.27Å; N47-C66 PolarHBondContact N-O 2.03Å; Y48-C66 PolarHBondContact O-N 2.91Å; C50-C66 VanDerWaalsContact CB-SG 3.5Å; C50-C66 PolarHBondContact SG-N 3.12Å; C56-C66 WeakPolarHBondContact CA-SG 3.39Å; C56-C66 HydrophobicContact CB-CB 3.71Å; C56-C66 WeakPolarHBondContact CB-SG 3.49Å; C56-C66 WeakPolarHBondContact SG-CA 3.3Å; C56-C66 WeakPolarHBondContact SG-CB 3.15Å; C56-C66 CovalentContact SG-SG 2.03Å; C56-C66 PolarHBondContact SG-SG 3.1Å; Y60-C66 WeakPolarHBondContact O-CA 3.37Å
67V95.3Very high96.5Very high95 Ų9588.6 Ų88.658%0.57644%0.442SS*.  trans-114.20177.1-93.80000109.3S46 S58 Y60 K62 V65S46-V67 WeakPolarHBondContact CB-OXT 3.02Å; S46-V67 PolarHBondContact OG-OXT 2.75Å; S58-V67 WeakPolarHBondContact CB-O 3Å; S58-V67 PolarHBondContact OG-O 2.84Å; Y60-V67 PolarHBondContact O-N 2.03Å; K62-V67 HydrophobicContact CB-CG2 3.64Å; V65-V67 PolarHBondContact O-N 2.75Å

Retrieved 67 of 67 residues in 64.5 ms (Link to these results)