A0A096NV14_PAPAN Loading...

Beta-defensin

Has antibacterial activity.

AlphaFold DB , UniProt , Accession A0A096NV14, Species PAPAN (Papio anubis, Olive baboon), Gene DEFB121, Length 76 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
1M66.1Low81.7Confident195 Ų195117.7 Ų117.796%0.96162%0.616SS**  0-36.10-50.7-46.1-106.900114.6L3M1-L3 PolarHBondContact O-N 3.36Å
2K80Confident81.2Confident175 Ų175117.3 Ų117.376%0.76161%0.614SS**Hα-helixtrans-64-35.9-178-134.595163-175.80114.5L5 L6K2-L5 PolarHBondContact O-N 3.14Å; K2-L6 PolarHBondContact O-N 3.4Å
3L83.3Confident80.4Confident130 Ų130116.9 Ų116.968%0.68161%0.612SS**Hα-helixtrans-65.6-39.5-177.6-150.382.1000112.7M1 L5 L6 L7M1-L3 PolarHBondContact O-N 3.36Å; L3-L5 VanDerWaalsContact C-N 3.33Å; L3-L5 PolarHBondContact O-N 3.2Å; L3-L6 PolarHBondContact O-N 3.42Å; L3-L7 PolarHBondContact O-N 3.35Å
4L84Confident79.2Confident111 Ų111116.8 Ų116.858%0.58161%0.611SS**Hα-helixtrans-63.6-40.2178-70.8166.8000111.6L7 L8L4-L7 PolarHBondContact O-N 3.07Å; L4-L8 WeakPolarHBondContact O-CD1 3.25Å; L4-L8 WeakPolarHBondContact O-CG 3.18Å; L4-L8 PolarHBondContact O-N 3.39Å
5L84.1Confident78.1Confident112 Ų112113.9 Ų113.959%0.58661%0.611SS**Hα-helixtrans-64.1-40.6176.7-68167.3000111.6K2 L3 L8 T9K2-L5 PolarHBondContact O-N 3.14Å; L3-L5 VanDerWaalsContact C-N 3.33Å; L3-L5 PolarHBondContact O-N 3.2Å; L5-L8 PolarHBondContact O-N 2.68Å; L5-T9 WeakPolarHBondContact O-CG2 3.46Å; L5-T9 PolarHBondContact O-N 3.34Å; L5-T9 VanDerWaalsContact O-N 3.1Å; L5-T9 PolarHBondContact O-OG1 3.42Å
6L85.4Confident77Confident106 Ų106114.8 Ų114.856%0.55561%0.61SS**Hα-helixtrans-65.6-40.9176.1-73.7163.4000112.4K2 L3 T9 V10K2-L6 PolarHBondContact O-N 3.4Å; L3-L6 PolarHBondContact O-N 3.42Å; L6-T9 PolarHBondContact O-OG1 2.96Å; L6-V10 VanDerWaalsContact O-CG2 3.3Å; L6-V10 WeakPolarHBondContact O-CG2 3.39Å; L6-V10 PolarHBondContact O-N 3.04Å
7L86.6Confident75.8Confident109 Ų109114.4 Ų114.457%0.57161%0.613SS**Hα-helixtrans-63-41.7175.8-93.8140.5000112.1L3 L4 T11L3-L7 PolarHBondContact O-N 3.35Å; L4-L7 PolarHBondContact O-N 3.07Å; L7-T11 PolarHBondContact O-N 3.37Å; L7-T11 PolarHBondContact O-OG1 3.2Å
8L82.6Confident74.7Confident111 Ų111113.6 Ų113.658%0.58161%0.613SS**Hα-helixtrans-64.6-43.3178.6-81.8160.5000112.5L4 L5 T11 L12L4-L8 WeakPolarHBondContact O-CD1 3.25Å; L4-L8 WeakPolarHBondContact O-CG 3.18Å; L4-L8 PolarHBondContact O-N 3.39Å; L5-L8 PolarHBondContact O-N 2.68Å; L8-T11 WeakPolarHBondContact CA-OG1 3.42Å; L8-T11 PolarHBondContact O-OG1 2.96Å; L8-L12 VanDerWaalsContact O-CB 3.3Å; L8-L12 WeakPolarHBondContact O-CB 3.3Å; L8-L12 PolarHBondContact O-N 3.03Å
9T84.3Confident73.9Confident74 Ų74112.8 Ų112.845%0.45462%0.615SS.*Hα-helixtrans-66.1-41.5179.153.70000111.6L5 L6 L12 L13L5-T9 WeakPolarHBondContact O-CG2 3.46Å; L5-T9 PolarHBondContact O-N 3.34Å; L5-T9 VanDerWaalsContact O-N 3.1Å; L5-T9 PolarHBondContact O-OG1 3.42Å; L6-T9 PolarHBondContact O-OG1 2.96Å; T9-L12 PolarHBondContact O-N 3.1Å; T9-L13 VanDerWaalsContact O-CD1 3.25Å; T9-L13 WeakPolarHBondContact O-CD1 3.48Å; T9-L13 PolarHBondContact O-N 3.28Å
10V84.3Confident73.6Confident87 Ų87110.6 Ų110.653%0.52760%0.604SS.*Hα-helixtrans-63.7-45.3177.5172.40000111.7L6 L13 L14L6-V10 VanDerWaalsContact O-CG2 3.3Å; L6-V10 WeakPolarHBondContact O-CG2 3.39Å; L6-V10 PolarHBondContact O-N 3.04Å; V10-L13 PolarHBondContact O-N 3.23Å; V10-L14 HydrophobicContact CG1-CD1 4.02Å; V10-L14 WeakPolarHBondContact O-CD1 3.49Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 3.44Å; V10-L14 VanDerWaalsContact O-N 3.14Å
11T78.3Confident74.1Confident85 Ų85108.2 Ų108.252%0.52159%0.593SS.*Hα-helixtrans-65.1-40177.128.30000112.3L7 L8 L14 A15L7-T11 PolarHBondContact O-N 3.37Å; L7-T11 PolarHBondContact O-OG1 3.2Å; L8-T11 WeakPolarHBondContact CA-OG1 3.42Å; L8-T11 PolarHBondContact O-OG1 2.96Å; T11-L14 PolarHBondContact O-N 3.49Å; T11-A15 PolarHBondContact O-N 2.89Å; T11-A15 VanDerWaalsContact O-N 3.14Å
12L75.7Confident75.3Confident112 Ų112105.9 Ų105.959%0.58658%0.578SS**Hα-helixtrans-65.9-40.4178.3-162.670.8000111.5L8 T9 A15 Q16L8-L12 VanDerWaalsContact O-CB 3.3Å; L8-L12 WeakPolarHBondContact O-CB 3.3Å; L8-L12 PolarHBondContact O-N 3.03Å; T9-L12 PolarHBondContact O-N 3.1Å; L12-A15 PolarHBondContact O-N 3.08Å; L12-Q16 WeakPolarHBondContact O-CG 3.49Å; L12-Q16 PolarHBondContact O-NE2 2.77Å
13L70.6Confident75.9Confident113 Ų11398.4 Ų98.459%0.59255%0.548SS*.Hα-helixtrans-60.1-45.3174.6-10381.1000111.7T9 V10 A15 Q16 V17T9-L13 VanDerWaalsContact O-CD1 3.25Å; T9-L13 WeakPolarHBondContact O-CD1 3.48Å; T9-L13 PolarHBondContact O-N 3.28Å; V10-L13 PolarHBondContact O-N 3.23Å; L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 3.47Å; L13-Q16 PolarHBondContact O-N 3.37Å; L13-V17 WeakPolarHBondContact O-CG2 2.97Å
14L64Low76.3Confident115 Ų11596.2 Ų96.260%0.60253%0.53SS*.Hα-helixtrans-63.7-34.5-179.8-74.1161.1000112.8V10 T11 Q16 V17V10-L14 HydrophobicContact CG1-CD1 4.02Å; V10-L14 WeakPolarHBondContact O-CD1 3.49Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 3.44Å; V10-L14 VanDerWaalsContact O-N 3.14Å; T11-L14 PolarHBondContact O-N 3.49Å; L14-Q16 VanDerWaalsContact C-N 3.25Å; L14-Q16 PolarHBondContact O-N 2.91Å; L14-V17 PolarHBondContact O-N 2.92Å
15A61.8Low76.5Confident73 Ų7394.6 Ų94.660%0.60354%0.54SS*.Hα-helixtrans-66-26.8177.600000113.2T11 L12 L13T11-A15 PolarHBondContact O-N 2.89Å; T11-A15 VanDerWaalsContact O-N 3.14Å; L12-A15 PolarHBondContact O-N 3.08Å; L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 3.47Å
16Q60.2Low76.7Confident129 Ų12997.3 Ų97.360%0.60355%0.547SS*.Hα-helixtrans-81-21.1-177.7-28.8-170.3-3.200112.6L12 L13 L14 T18 P19L12-Q16 WeakPolarHBondContact O-CG 3.49Å; L12-Q16 PolarHBondContact O-NE2 2.77Å; L13-Q16 PolarHBondContact O-N 3.37Å; L14-Q16 VanDerWaalsContact C-N 3.25Å; L14-Q16 PolarHBondContact O-N 2.91Å; Q16-T18 PolarHBondContact O-N 3.43Å; Q16-P19 WeakPolarHBondContact O-CD 3.3Å
17V57.3Low77Confident107 Ų10794.8 Ų94.865%0.64854%0.539SS*.SBendtrans-75-12.7-169.8-1590000113L13 L14L13-V17 WeakPolarHBondContact O-CG2 2.97Å; L14-V17 PolarHBondContact O-N 2.92Å
18T55.4Low77.3Confident101 Ų10189.8 Ų89.862%0.6251%0.513SS*.  trans-13781.617459.70000111.2Q16 V20Q16-T18 PolarHBondContact O-N 3.43Å; T18-V20 PolarHBondContact O-N 3.26Å
19P60.4Low77.8Confident99 Ų9990.5 Ų90.564%0.64351%0.508SS*.  trans-56.5108.6157.425.1-31.3000106.8Q16 T21Q16-P19 WeakPolarHBondContact O-CD 3.3Å; P19-T21 PolarHBondContact O-N 3.42Å
20V67.3Low78.3Confident67 Ų6787.9 Ų87.941%0.40649%0.492SS..  trans-72.683.8175.5179.40000106.6T18 K22 R29T18-V20 PolarHBondContact O-N 3.26Å; V20-K22 PolarHBondContact O-N 3.36Å; V20-R29 HydrophobicContact CG1-CB 3.9Å; V20-R29 HydrophobicContact CG1-CG 3.58Å
21T84.6Confident78.6Confident61 Ų6186.9 Ų86.937%0.37448%0.479SS..  trans-65.4121.4174.747.50000107.7P19 C30P19-T21 PolarHBondContact O-N 3.42Å; T21-C30 PolarHBondContact O-N 2.84Å; T21-C30 PolarHBondContact O-SG 3.43Å; T21-C30 WeakPolarHBondContact OG1-CB 3.46Å; T21-C30 PolarHBondContact OG1-SG 2.02Å
22K90.8Very high79.3Confident146 Ų14688.4 Ų88.464%0.63549%0.489SS*.EExtended strand (participates in β ladder)trans-76.8142.6176.9-68.7-177-176.8171.70108.8V20 K26 G28V20-K22 PolarHBondContact O-N 3.36Å; K22-K26 HydrophobicContact CD-CB 4.04Å; K22-K26 HydrophobicContact CD-CG 4.17Å; K22-G28 WeakPolarHBondContact CA-O 3.43Å
23C92.2Very high80Confident19 Ų1988 Ų8813%0.12849%0.49CS..EExtended strand (participates in β ladder)trans-132-179.2173.961.20000108.9G25 K26 S27 G28 R29 C50C23-G25 PolarHBondContact O-N 2.75Å; C23-K26 PolarHBondContact O-N 3.4Å; C23-K26 VanDerWaalsContact O-N 3.09Å; C23-S27 PolarHBondContact O-N 2.96Å; C23-G28 PolarHBondContact N-O 3.14Å; C23-G28 WeakPolarHBondContact O-CA 3.44Å; C23-G28 PolarHBondContact O-N 3.15Å; C23-R29 PolarHBondContact SG-N 3.34Å; C23-R29 VanDerWaalsContact SG-N 3.42Å; C23-C50 HydrophobicContact CB-CB 3.87Å; C23-C50 WeakPolarHBondContact CB-SG 3.24Å; C23-C50 WeakPolarHBondContact SG-CA 3.49Å; C23-C50 WeakPolarHBondContact SG-CB 3.32Å; C23-C50 CovalentContact SG-SG 2.02Å; C23-C50 PolarHBondContact SG-SG 3.43Å
24W91.8Very high81.1Confident84 Ų8484 Ų8432%0.31847%0.472SS..G310 helixtrans5153.5176.3-163-113.3000113.4K26 S27 Y41 V52 Y56W24-K26 PolarHBondContact O-N 2.04Å; W24-K26 VanDerWaalsContact O-N 3.15Å; W24-S27 WeakPolarHBondContact O-CB 3.49Å; W24-S27 PolarHBondContact O-N 3.3Å; W24-Y41 HydrophobicContact CD2-CD1 4.17Å; W24-Y41 HydrophobicContact CD2-CD2 4.37Å; W24-Y41 HydrophobicContact CD2-CE1 4.31Å; W24-Y41 HydrophobicContact CD2-CE2 4.45Å; W24-Y41 HydrophobicContact CD2-CG 4.24Å; W24-Y41 AromaticContact CE3-CD1 3.42Å; W24-Y41 HydrophobicContact CE3-CD1 3.42Å; W24-Y41 VanDerWaalsContact CE3-CD1 3.42Å; W24-Y41 HydrophobicContact CE3-CD2 4.28Å; W24-Y41 AromaticContact CE3-CE1 3.34Å; W24-Y41 HydrophobicContact CE3-CE1 3.34Å; W24-Y41 HydrophobicContact CE3-CE2 4.17Å; W24-Y41 AromaticContact CE3-CG 3.95Å; W24-Y41 HydrophobicContact CE3-CG 3.95Å; W24-Y41 AromaticContact CE3-CZ 3.74Å; W24-Y41 HydrophobicContact CH2-CD1 4.28Å; W24-Y41 HydrophobicContact CH2-CD2 4.22Å; W24-Y41 AromaticContact CH2-CE1 3.52Å; W24-Y41 HydrophobicContact CH2-CE1 3.52Å; W24-Y41 AromaticContact CH2-CE2 3.39Å; W24-Y41 HydrophobicContact CH2-CE2 3.39Å; W24-Y41 AromaticContact CH2-CZ 2.99Å; W24-Y41 WeakPolarHBondContact CH2-OH 3.01Å; W24-Y41 HydrophobicContact CZ2-CD2 4.21Å; W24-Y41 HydrophobicContact CZ2-CE1 4.39Å; W24-Y41 AromaticContact CZ2-CE2 3.63Å; W24-Y41 HydrophobicContact CZ2-CE2 3.63Å; W24-Y41 AromaticContact CZ2-CZ 3.76Å; W24-Y41 AromaticContact CZ3-CD1 3.55Å; W24-Y41 HydrophobicContact CZ3-CD1 3.55Å; W24-Y41 HydrophobicContact CZ3-CD2 4.26Å; W24-Y41 AromaticContact CZ3-CE1 2.9Å; W24-Y41 HydrophobicContact CZ3-CE1 2.9Å; W24-Y41 AromaticContact CZ3-CE2 3.69Å; W24-Y41 HydrophobicContact CZ3-CE2 3.69Å; W24-Y41 HydrophobicContact CZ3-CG 4.21Å; W24-Y41 AromaticContact CZ3-CZ 2.99Å; W24-Y41 VanDerWaalsContact CZ3-OH 3.24Å; W24-Y41 WeakPolarHBondContact CZ3-OH 3.01Å; W24-V52 HydrophobicContact CB-CG2 3.72Å; W24-V52 VanDerWaalsContact CD1-CG1 3.42Å; W24-V52 HydrophobicContact CG-CG1 4.14Å; W24-V52 HydrophobicContact CG-CG2 3.76Å; W24-Y56 PolarHBondContact NE1-O 2.78Å
25G88.9Confident82.5Confident76 Ų7684.5 Ų84.578%0.78447%0.469SS*.G310 helixtrans60.828.2178.700000114.9C23 S27C23-G25 PolarHBondContact O-N 2.75Å; G25-S27 VanDerWaalsContact C-N 3.31Å
26K88.8Confident84Confident169 Ų16991.6 Ų91.674%0.73549%0.486SS*.G310 helixtrans80.1-3.1-173.5-51.4171.5-177.5173.30115.5K22 C23 W24K22-K26 HydrophobicContact CD-CB 4.04Å; K22-K26 HydrophobicContact CD-CG 4.17Å; C23-K26 PolarHBondContact O-N 3.4Å; C23-K26 VanDerWaalsContact O-N 3.09Å; W24-K26 PolarHBondContact O-N 2.04Å; W24-K26 VanDerWaalsContact O-N 3.15Å
27S91.1Very high85.5Confident54 Ų5496.1 Ų96.138%0.37850%0.498SS..THydrogen-bonded Turntrans-85.4-8.6176.8-60.30000113.4C23 W24 G25C23-S27 PolarHBondContact O-N 2.96Å; W24-S27 WeakPolarHBondContact O-CB 3.49Å; W24-S27 PolarHBondContact O-N 3.3Å; G25-S27 VanDerWaalsContact C-N 3.31Å
28G93.5Very high87.3Confident3 Ų393 Ų933%0.03148%0.476CS..EExtended strand (participates in β ladder)trans-121.3167.2176.600000113.9K22 C23 C51K22-G28 WeakPolarHBondContact CA-O 3.43Å; C23-G28 PolarHBondContact N-O 3.14Å; C23-G28 WeakPolarHBondContact O-CA 3.44Å; C23-G28 PolarHBondContact O-N 3.15Å; G28-C51 CarbonylContact C-O 3.59Å; G28-C51 VanDerWaalsContact CA-O 3.26Å; G28-C51 WeakPolarHBondContact CA-O 3.24Å
29R93.6Very high89.1Confident127 Ų12791 Ų9148%0.47946%0.464SS..EExtended strand (participates in β ladder)trans-133.4137.9174.5-64.3174.9-170.1-149.911.4110.4V20 C23 C51V20-R29 HydrophobicContact CG1-CB 3.9Å; V20-R29 HydrophobicContact CG1-CG 3.58Å; C23-R29 PolarHBondContact SG-N 3.34Å; C23-R29 VanDerWaalsContact SG-N 3.42Å; R29-C51 PolarHBondContact N-O 3.33Å; R29-C51 PolarHBondContact O-N 3.31Å
30C93.1Very high90.7Very high18 Ų1892 Ų9212%0.12246%0.455CS..EExtended strand (participates in β ladder)trans-75.2130.4172.9-55.80000110.6T21 C44 A48 K49T21-C30 PolarHBondContact O-N 2.84Å; T21-C30 PolarHBondContact O-SG 3.43Å; T21-C30 WeakPolarHBondContact OG1-CB 3.46Å; T21-C30 PolarHBondContact OG1-SG 2.02Å; C30-C44 HydrophobicContact CB-CB 3.81Å; C30-C44 WeakPolarHBondContact CB-SG 3Å; C30-C44 WeakPolarHBondContact SG-CB 3.42Å; C30-C44 CovalentContact SG-SG 2.02Å; C30-C44 PolarHBondContact SG-SG 2.02Å; C30-A48 HydrophobicContact CB-CB 4.17Å; C30-K49 CarbonylContact C-O 3.59Å; C30-K49 WeakPolarHBondContact CA-O 3.28Å
31R91.7Very high91.9Very high66 Ų6693 Ų9325%0.24945%0.453CS..EExtended strand (participates in β ladder)trans-147154178.8-57.4-179.1177.5-73.5-3.4110T33 E38 K49R31-T33 VanDerWaalsContact C-N 3.26Å; R31-T33 WeakPolarHBondContact CB-O 3.06Å; R31-T33 PolarHBondContact O-N 3.27Å; R31-E38 IonicContact NE-OE1 3.83Å; R31-E38 IonicContact NE-OE2 3.63Å; R31-K49 PolarHBondContact N-O 3.24Å; R31-K49 WeakPolarHBondContact O-CA 3.48Å; R31-K49 WeakPolarHBondContact O-CB 3.42Å; R31-K49 PolarHBondContact O-N 3Å
32T91.8Very high92.3Very high118 Ų11894.6 Ų94.672%0.72446%0.458SS*.SBendtrans-61.5-40.6170.7-41.80000111.2K49T32-K49 PolarHBondContact O-NZ 2.94Å
33T92Very high92.4Very high102 Ų10292.2 Ų92.263%0.62645%0.452SS*.SBendtrans-135134.2179.5-50.20000109.9R31R31-T33 VanDerWaalsContact C-N 3.26Å; R31-T33 WeakPolarHBondContact CB-O 3.06Å; R31-T33 PolarHBondContact O-N 3.27Å
34C93Very high92.5Very high30 Ų3092.2 Ų92.220%0.20345%0.452CS..  trans-74.6151.5176.3-60.20000111.6E38 C51C34-E38 HydrophobicContact CB-CB 4.13Å; C34-C51 WeakPolarHBondContact CA-SG 3.38Å; C34-C51 HydrophobicContact CB-CB 3.71Å; C34-C51 WeakPolarHBondContact CB-SG 2.98Å; C34-C51 WeakPolarHBondContact SG-CB 3.42Å; C34-C51 CovalentContact SG-SG 2.04Å; C34-C51 PolarHBondContact SG-SG 3.47Å
35K94Very high92.3Very high125 Ų12598.8 Ų98.854%0.54348%0.483SS..  trans-68.9158.2171.6-64.1-179.4176.5-173.50110.1R37 E38K35-R37 PolarHBondContact O-N 2.91Å; K35-E38 HydrophobicContact CB-CB 4.48Å; K35-E38 HydrophobicContact CB-CG 4.1Å; K35-E38 WeakPolarHBondContact CB-OE2 3.47Å; K35-E38 PolarHBondContact N-OE2 2.99Å; K35-E38 PolarHBondContact O-N 2.8Å
36K93Very high92.2Very high222 Ų22299.7 Ų99.797%0.96547%0.473SS*.THydrogen-bonded Turntrans-53.8-24.6179.2-67.3-174.7179.2-177.80115
37R92.1Very high92.2Very high224 Ų22499.6 Ų99.685%0.84548%0.475SS*.THydrogen-bonded Turntrans-1046.2-179.9-60-173.8-177.6-163.90.4113.5K35 P54K35-R37 PolarHBondContact O-N 2.91Å; R37-P54 WeakPolarHBondContact O-CD 3.38Å
38E94.6Very high92.3Very high41 Ų4197.9 Ų97.919%0.19246%0.464CS..  trans-107.6149.1176.5-67.9170.616300108.8R31 C34 K35 C51 V52R31-E38 IonicContact NE-OE1 3.83Å; R31-E38 IonicContact NE-OE2 3.63Å; C34-E38 HydrophobicContact CB-CB 4.13Å; K35-E38 HydrophobicContact CB-CB 4.48Å; K35-E38 HydrophobicContact CB-CG 4.1Å; K35-E38 WeakPolarHBondContact CB-OE2 3.47Å; K35-E38 PolarHBondContact N-OE2 2.99Å; K35-E38 PolarHBondContact O-N 2.8Å; E38-C51 HydrophobicContact CB-CB 3.97Å; E38-C51 HydrophobicContact CG-CB 4.38Å; E38-C51 VanDerWaalsContact OE2-CB 3.28Å; E38-C51 WeakPolarHBondContact OE2-CB 3.45Å; E38-V52 CarbonylContact C-O 3.56Å; E38-V52 WeakPolarHBondContact CA-O 3.06Å
39V93.9Very high92.3Very high59 Ų59101.9 Ų101.936%0.35848%0.481SS..EExtended strand (participates in β ladder)trans-104.7146.4172.2-69.10000110.3C51 V52 P54 V57V39-C51 WeakPolarHBondContact O-CA 2.96Å; V39-V52 WeakPolarHBondContact CG2-O 3.33Å; V39-V52 PolarHBondContact N-O 2.9Å; V39-V52 PolarHBondContact O-N 2.94Å; V39-P54 HydrophobicContact CG1-CG 4.07Å; V39-V57 HydrophobicContact CG2-CG2 3.85Å
40Y94Very high92.3Very high120 Ų12095.8 Ų95.847%0.47146%0.458SS..EExtended strand (participates in β ladder)trans-73.8125.7168.6167.8-107.2000109.2I42 L43 K49Y40-I42 VanDerWaalsContact CE2-O 3.24Å; Y40-I42 WeakPolarHBondContact CE2-O 3.44Å; Y40-L43 HydrophobicContact CE2-CD2 4.06Å; Y40-L43 HydrophobicContact CE2-CG 4.48Å; Y40-L43 WeakPolarHBondContact OH-CG 3.36Å; Y40-L43 PolarHBondContact OH-N 2.99Å; Y40-K49 HydrophobicContact CD2-CB 3.74Å; Y40-K49 HydrophobicContact CD2-CD 4.1Å; Y40-K49 HydrophobicContact CD2-CG 3.85Å; Y40-K49 HydrophobicContact CE2-CB 4.16Å; Y40-K49 HydrophobicContact CE2-CG 4.08Å
41Y91.5Very high92.4Very high88 Ų8895 Ų9535%0.34545%0.452SS..EExtended strand (participates in β ladder)trans-107.1-51.7177.6-168.6-82.9000112.6W24 C50 V57W24-Y41 HydrophobicContact CD2-CD1 4.17Å; W24-Y41 HydrophobicContact CD2-CD2 4.37Å; W24-Y41 HydrophobicContact CD2-CE1 4.31Å; W24-Y41 HydrophobicContact CD2-CE2 4.45Å; W24-Y41 HydrophobicContact CD2-CG 4.24Å; W24-Y41 AromaticContact CE3-CD1 3.42Å; W24-Y41 HydrophobicContact CE3-CD1 3.42Å; W24-Y41 VanDerWaalsContact CE3-CD1 3.42Å; W24-Y41 HydrophobicContact CE3-CD2 4.28Å; W24-Y41 AromaticContact CE3-CE1 3.34Å; W24-Y41 HydrophobicContact CE3-CE1 3.34Å; W24-Y41 HydrophobicContact CE3-CE2 4.17Å; W24-Y41 AromaticContact CE3-CG 3.95Å; W24-Y41 HydrophobicContact CE3-CG 3.95Å; W24-Y41 AromaticContact CE3-CZ 3.74Å; W24-Y41 HydrophobicContact CH2-CD1 4.28Å; W24-Y41 HydrophobicContact CH2-CD2 4.22Å; W24-Y41 AromaticContact CH2-CE1 3.52Å; W24-Y41 HydrophobicContact CH2-CE1 3.52Å; W24-Y41 AromaticContact CH2-CE2 3.39Å; W24-Y41 HydrophobicContact CH2-CE2 3.39Å; W24-Y41 AromaticContact CH2-CZ 2.99Å; W24-Y41 WeakPolarHBondContact CH2-OH 3.01Å; W24-Y41 HydrophobicContact CZ2-CD2 4.21Å; W24-Y41 HydrophobicContact CZ2-CE1 4.39Å; W24-Y41 AromaticContact CZ2-CE2 3.63Å; W24-Y41 HydrophobicContact CZ2-CE2 3.63Å; W24-Y41 AromaticContact CZ2-CZ 3.76Å; W24-Y41 AromaticContact CZ3-CD1 3.55Å; W24-Y41 HydrophobicContact CZ3-CD1 3.55Å; W24-Y41 HydrophobicContact CZ3-CD2 4.26Å; W24-Y41 AromaticContact CZ3-CE1 2.9Å; W24-Y41 HydrophobicContact CZ3-CE1 2.9Å; W24-Y41 AromaticContact CZ3-CE2 3.69Å; W24-Y41 HydrophobicContact CZ3-CE2 3.69Å; W24-Y41 HydrophobicContact CZ3-CG 4.21Å; W24-Y41 AromaticContact CZ3-CZ 2.99Å; W24-Y41 VanDerWaalsContact CZ3-OH 3.24Å; W24-Y41 WeakPolarHBondContact CZ3-OH 3.01Å; Y41-C50 PolarHBondContact N-O 2.98Å; Y41-V57 HydrophobicContact CD2-CG1 4.3Å; Y41-V57 HydrophobicContact CD2-CG2 4.41Å; Y41-V57 HydrophobicContact CE2-CG1 4.3Å
42I92.6Very high92.6Very high95 Ų9591.9 Ų91.949%0.48744%0.44SS..EExtended strand (participates in β ladder)trans-157.1166.5-178.2-165164.4000110.6Y40 C50Y40-I42 VanDerWaalsContact CE2-O 3.24Å; Y40-I42 WeakPolarHBondContact CE2-O 3.44Å; I42-C50 HydrophobicContact CG2-CB 3.81Å; I42-C50 WeakPolarHBondContact O-CA 3.15Å; I42-C50 WeakPolarHBondContact O-CB 3.02Å; I42-C50 PolarHBondContact O-N 2.85Å
43L94.4Very high92.6Very high97 Ų9788.8 Ų88.851%0.50842%0.42SS..EExtended strand (participates in β ladder)trans-77.2141.4167-64.8176.3000111.4Y40 A48Y40-L43 HydrophobicContact CE2-CD2 4.06Å; Y40-L43 HydrophobicContact CE2-CG 4.48Å; Y40-L43 WeakPolarHBondContact OH-CG 3.36Å; Y40-L43 PolarHBondContact OH-N 2.99Å; L43-A48 CarbonylContact C-O 3.54Å; L43-A48 WeakPolarHBondContact CA-O 3.2Å
44C92.3Very high92.6Very high18 Ų1886.9 Ų86.912%0.12241%0.409CS..  trans-80.3167.3168.5-62.70000110.6C30 T46 E47 A48C30-C44 HydrophobicContact CB-CB 3.81Å; C30-C44 WeakPolarHBondContact CB-SG 3Å; C30-C44 WeakPolarHBondContact SG-CB 3.42Å; C30-C44 CovalentContact SG-SG 2.02Å; C30-C44 PolarHBondContact SG-SG 2.02Å; C44-T46 PolarHBondContact O-N 3.42Å; C44-T46 VanDerWaalsContact O-N 3.08Å; C44-E47 WeakPolarHBondContact O-CA 3.04Å; C44-E47 PolarHBondContact O-N 3.48Å; C44-A48 PolarHBondContact N-O 2.9Å
45K88.1Confident92.4Very high223 Ų22391.9 Ų91.997%0.9743%0.427SS*.THydrogen-bonded Turntrans-56.7-25175.1-68.1-173.9177.5-1750113.7E47K45-E47 PolarHBondContact O-N 3.09Å
46T87.4Confident92.1Very high95 Ų9591.7 Ų91.758%0.58342%0.424SS*.THydrogen-bonded Turntrans-88.313.5177.363.20000112.7C44 A48C44-T46 PolarHBondContact O-N 3.42Å; C44-T46 VanDerWaalsContact O-N 3.08Å; T46-A48 PolarHBondContact O-N 2.98Å; T46-A48 WeakPolarHBondContact OG1-CB 3.26Å
47E88.8Confident91.8Very high167 Ų16782.8 Ų82.878%0.7839%0.388SS*.SBendtrans61.35.3-175.5-53.6-178.1133.100115C44 K45C44-E47 WeakPolarHBondContact O-CA 3.04Å; C44-E47 PolarHBondContact O-N 3.48Å; K45-E47 PolarHBondContact O-N 3.09Å
48A92.4Very high91.3Very high18 Ų1876.6 Ų76.615%0.14938%0.377CS..  trans-71.9156170.900000111C30 L43 C44 T46C30-A48 HydrophobicContact CB-CB 4.17Å; L43-A48 CarbonylContact C-O 3.54Å; L43-A48 WeakPolarHBondContact CA-O 3.2Å; C44-A48 PolarHBondContact N-O 2.9Å; T46-A48 PolarHBondContact O-N 2.98Å; T46-A48 WeakPolarHBondContact OG1-CB 3.26Å
49K93.9Very high90.4Very high86 Ų8681.1 Ų81.137%0.37441%0.407SS..EExtended strand (participates in β ladder)trans-73.9127.2174.7-63.8-171.2-17383.60110.4C30 R31 T32 Y40 C51C30-K49 CarbonylContact C-O 3.59Å; C30-K49 WeakPolarHBondContact CA-O 3.28Å; R31-K49 PolarHBondContact N-O 3.24Å; R31-K49 WeakPolarHBondContact O-CA 3.48Å; R31-K49 WeakPolarHBondContact O-CB 3.42Å; R31-K49 PolarHBondContact O-N 3Å; T32-K49 PolarHBondContact O-NZ 2.94Å; Y40-K49 HydrophobicContact CD2-CB 3.74Å; Y40-K49 HydrophobicContact CD2-CD 4.1Å; Y40-K49 HydrophobicContact CD2-CG 3.85Å; Y40-K49 HydrophobicContact CE2-CB 4.16Å; Y40-K49 HydrophobicContact CE2-CG 4.08Å; K49-C51 PolarHBondContact O-N 2.91Å; K49-C51 PolarHBondContact O-SG 2.98Å
50C94.6Very high88.9Confident0 Ų088.7 Ų88.70%043%0.429CS..EExtended strand (participates in β ladder)trans-76107.7165.21790000108.7C23 Y41 I42C23-C50 HydrophobicContact CB-CB 3.87Å; C23-C50 WeakPolarHBondContact CB-SG 3.24Å; C23-C50 WeakPolarHBondContact SG-CA 3.49Å; C23-C50 WeakPolarHBondContact SG-CB 3.32Å; C23-C50 CovalentContact SG-SG 2.02Å; C23-C50 PolarHBondContact SG-SG 3.43Å; Y41-C50 PolarHBondContact N-O 2.98Å; I42-C50 HydrophobicContact CG2-CB 3.81Å; I42-C50 WeakPolarHBondContact O-CA 3.15Å; I42-C50 WeakPolarHBondContact O-CB 3.02Å; I42-C50 PolarHBondContact O-N 2.85Å
51C95.1Very high87Confident1 Ų187.9 Ų87.91%0.00744%0.441CS..EExtended strand (participates in β ladder)trans-99.5125-178.4-53.80000109.3G28 R29 C34 E38 V39 K49G28-C51 CarbonylContact C-O 3.59Å; G28-C51 VanDerWaalsContact CA-O 3.26Å; G28-C51 WeakPolarHBondContact CA-O 3.24Å; R29-C51 PolarHBondContact N-O 3.33Å; R29-C51 PolarHBondContact O-N 3.31Å; C34-C51 WeakPolarHBondContact CA-SG 3.38Å; C34-C51 HydrophobicContact CB-CB 3.71Å; C34-C51 WeakPolarHBondContact CB-SG 2.98Å; C34-C51 WeakPolarHBondContact SG-CB 3.42Å; C34-C51 CovalentContact SG-SG 2.04Å; C34-C51 PolarHBondContact SG-SG 3.47Å; E38-C51 HydrophobicContact CB-CB 3.97Å; E38-C51 HydrophobicContact CG-CB 4.38Å; E38-C51 VanDerWaalsContact OE2-CB 3.28Å; E38-C51 WeakPolarHBondContact OE2-CB 3.45Å; V39-C51 WeakPolarHBondContact O-CA 2.96Å; K49-C51 PolarHBondContact O-N 2.91Å; K49-C51 PolarHBondContact O-SG 2.98Å
52V94.9Very high85Confident0 Ų092.1 Ų92.10%046%0.462CS..EExtended strand (participates in β ladder)trans-124.7142-175.3-170.10000109.1W24 E38 V39 V57W24-V52 HydrophobicContact CB-CG2 3.72Å; W24-V52 VanDerWaalsContact CD1-CG1 3.42Å; W24-V52 HydrophobicContact CG-CG1 4.14Å; W24-V52 HydrophobicContact CG-CG2 3.76Å; E38-V52 CarbonylContact C-O 3.56Å; E38-V52 WeakPolarHBondContact CA-O 3.06Å; V39-V52 WeakPolarHBondContact CG2-O 3.33Å; V39-V52 PolarHBondContact N-O 2.9Å; V39-V52 PolarHBondContact O-N 2.94Å; V52-V57 HydrophobicContact CB-CG2 3.94Å; V52-V57 HydrophobicContact CG1-CG2 3.66Å
53D93.1Very high83.2Confident54 Ų5494.1 Ų94.129%0.28947%0.472SS..  trans-66.8127.4169.7-172.2-46.2000108.9K55 Y56D53-K55 HydrophobicContact CB-CD 4.5Å; D53-K55 HydrophobicContact CB-CG 4.29Å; D53-K55 VanDerWaalsContact CG-CE 3.5Å; D53-K55 PolarHBondContact O-N 2.99Å; D53-K55 VanDerWaalsContact OD1-CD 3.26Å; D53-K55 WeakPolarHBondContact OD1-CD 3.26Å; D53-K55 WeakPolarHBondContact OD1-CG 3.22Å; D53-K55 PolarHBondContact OD1-N 3.15Å; D53-K55 WeakPolarHBondContact OD2-CE 3.16Å; D53-K55 IonicContact OD2-NZ 2.76Å; D53-K55 PolarHBondContact OD2-NZ 2.76Å; D53-Y56 HydrophobicContact CB-CD2 3.75Å; D53-Y56 HydrophobicContact CB-CE2 4.01Å; D53-Y56 PolarHBondContact O-N 2.95Å
54P90.9Very high80.9Confident62 Ų6293.8 Ų93.840%0.40348%0.475SS..G310 helixtrans-49.7-30.6-178.6-24.427.5000114R37 V39 Y56 V57R37-P54 WeakPolarHBondContact O-CD 3.38Å; V39-P54 HydrophobicContact CG1-CG 4.07Å; P54-Y56 PolarHBondContact O-N 3.06Å; P54-Y56 VanDerWaalsContact O-N 3.17Å; P54-V57 PolarHBondContact O-N 2.82Å
55K89.8Confident78.9Confident135 Ų13599.2 Ų99.259%0.58750%0.502SS*.G310 helixtrans-64.2-19179.678-160.3177.3-151.70114.3D53D53-K55 HydrophobicContact CB-CD 4.5Å; D53-K55 HydrophobicContact CB-CG 4.29Å; D53-K55 VanDerWaalsContact CG-CE 3.5Å; D53-K55 PolarHBondContact O-N 2.99Å; D53-K55 VanDerWaalsContact OD1-CD 3.26Å; D53-K55 WeakPolarHBondContact OD1-CD 3.26Å; D53-K55 WeakPolarHBondContact OD1-CG 3.22Å; D53-K55 PolarHBondContact OD1-N 3.15Å; D53-K55 WeakPolarHBondContact OD2-CE 3.16Å; D53-K55 IonicContact OD2-NZ 2.76Å; D53-K55 PolarHBondContact OD2-NZ 2.76Å
56Y87.1Confident77.2Confident120 Ų12093.1 Ų93.147%0.47148%0.484SS..G310 helixtrans-102.9-0.8177.6-55.8-54.9000112.9W24 D53 P54W24-Y56 PolarHBondContact NE1-O 2.78Å; D53-Y56 HydrophobicContact CB-CD2 3.75Å; D53-Y56 HydrophobicContact CB-CE2 4.01Å; D53-Y56 PolarHBondContact O-N 2.95Å; P54-Y56 PolarHBondContact O-N 3.06Å; P54-Y56 VanDerWaalsContact O-N 3.17Å
57V85.8Confident75.4Confident35 Ų3595.5 Ų95.521%0.21249%0.493CS..SBendtrans-96.1116.2173.8-177.50000106.5V39 Y41 V52 P54 V59V39-V57 HydrophobicContact CG2-CG2 3.85Å; Y41-V57 HydrophobicContact CD2-CG1 4.3Å; Y41-V57 HydrophobicContact CD2-CG2 4.41Å; Y41-V57 HydrophobicContact CE2-CG1 4.3Å; V52-V57 HydrophobicContact CB-CG2 3.94Å; V52-V57 HydrophobicContact CG1-CG2 3.66Å; P54-V57 PolarHBondContact O-N 2.82Å; V57-V59 PolarHBondContact O-N 2.81Å; V57-V59 VanDerWaalsContact O-N 3.14Å
58P82.9Confident73.7Confident95 Ų9594.7 Ų94.762%0.61750%0.5SS*.  trans-55.5124.9172.1-20.531.3000108.1R60P58-R60 PolarHBondContact O-N 3.08Å
59V74.4Confident71.9Confident135 Ų13598.8 Ų98.882%0.81853%0.527SS*.  trans-62.1108.9168.3-175.20000104.6V57 S61V57-V59 PolarHBondContact O-N 2.81Å; V57-V59 VanDerWaalsContact O-N 3.14Å; V59-S61 PolarHBondContact O-N 2.76Å
60R63.4Low70.1Confident218 Ų218102.2 Ų102.282%0.82355%0.549SS*.  trans-60.4103.1161.3-74.2-169.2-177.9-168.80.7103.8P58 K62P58-R60 PolarHBondContact O-N 3.08Å; R60-K62 PolarHBondContact O-N 2.68Å
61S52.8Low67.7Low103 Ų103110.2 Ų110.272%0.7259%0.586SS**  trans-48.2119.7155.441.20000103.6V59 L63V59-S61 PolarHBondContact O-N 2.76Å; S61-L63 PolarHBondContact O-N 3.01Å
62K51.3Low65.4Low178 Ų178116.5 Ų116.577%0.77463%0.63SS**  trans-52.398.9174.6-168.6-173.4-174.6-149.90104.3R60 T64R60-K62 PolarHBondContact O-N 2.68Å; K62-T64 PolarHBondContact O-N 2.84Å; K62-T64 PolarHBondContact O-OG1 2.94Å; K62-T64 VanDerWaalsContact O-OG1 3.08Å
63L53.2Low63.2Low137 Ų137122 Ų12272%0.71766%0.664SS**  trans-58.7104.5163.4-171.378.6000100.8S61 D65S61-L63 PolarHBondContact O-N 3.01Å; L63-D65 VanDerWaalsContact CD2-OD1 3.22Å; L63-D65 WeakPolarHBondContact CD2-OD1 2.96Å; L63-D65 PolarHBondContact O-N 3.14Å
64T47.3Very low61.3Low90 Ų90124.6 Ų124.655%0.55269%0.686SS**  trans-76.179.7-178.6-66.20000102K62 T66K62-T64 PolarHBondContact O-N 2.84Å; K62-T64 PolarHBondContact O-OG1 2.94Å; K62-T64 VanDerWaalsContact O-OG1 3.08Å; T64-T66 WeakPolarHBondContact CG2-OG1 3.22Å; T64-T66 PolarHBondContact O-N 3.17Å
65D50.4Low59Low132 Ų132125.7 Ų125.771%0.70670%0.701SS**  trans-70.765.3159.9-66.5-29.8000105.8L63 N67L63-D65 VanDerWaalsContact CD2-OD1 3.22Å; L63-D65 WeakPolarHBondContact CD2-OD1 2.96Å; L63-D65 PolarHBondContact O-N 3.14Å; D65-N67 PolarHBondContact O-N 3.07Å
66T51Low56.9Low95 Ų95129.9 Ų129.958%0.58374%0.737SS**  trans-68119.1155.3-63.90000104.3T64T64-T66 WeakPolarHBondContact CG2-OG1 3.22Å; T64-T66 PolarHBondContact O-N 3.17Å
67N50.4Low55.4Low144 Ų144130.4 Ų130.477%0.7775%0.751SS**  trans104.667.7169-47.8-25.1000115.9D65D65-N67 PolarHBondContact O-N 3.07Å
68T51.9Low53.8Low151 Ų151135.4 Ų135.493%0.92678%0.779SS**  trans-12985.1132.4-61.50000108.4
69S55.5Low52.2Low104 Ų104137.7 Ų137.773%0.72779%0.788SS**SBendtrans-145.7107.7157.1-178.40000107
70L57Low50.9Low157 Ų157137.8 Ų137.882%0.82279%0.786SS**  trans46.1105.5166.7-84.782.7000117.8
71E42.6Very low50.1Low169 Ų169132.8 Ų132.879%0.7978%0.784SS**  -162.585.5125.9-158.5107.5114.900108.3
72S47.6Very low49.9Very low133 Ų133134.8 Ų134.893%0.9379%0.788SS**  trans-97.677.5155.7-71.40000106.9
73T48.4Very low49.8Very low114 Ų114131.7 Ų131.770%0.69979%0.789SS**  trans-100.6113.8165.3-45.70000107.9
74S52.8Low49.6Very low109 Ų109131.3 Ų131.376%0.76280%0.795SS**  trans-69.9142.4179.7-167.80000111.7
75A44.2Very low49.7Very low86 Ų86134.8 Ų134.871%0.71182%0.815SS**  trans53.9118.7143.500000120.6
76V45.1Very low49.7Very low223 Ų223135 Ų135100%1.35283%0.825SS**  -130.20128.5-175.70000107.8

Retrieved 76 of 76 residues in 245.7 ms (Link to these results)