A0A096MX85_PAPAN Loading...

Beta-defensin

Has antibacterial activity.

AlphaFold DB , UniProt , Accession A0A096MX85, Species PAPAN (Papio anubis, Olive baboon), Gene DEFB134, Length 66 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
1M62.3Low72.5Confident204 Ų204115.6 Ų115.6100%1.00559%0.589SS**  0-35.60-56.3-167.2-16900113.7P3 L4M1-P3 VanDerWaalsContact C-CD 3.46Å; M1-L4 PolarHBondContact O-N 3.47Å
2K65.9Low71.7Confident178 Ų178117.8 Ų117.877%0.77459%0.592SS**Hα-helixtrans-53.2-40.6175.4-100.7163.7170.7174.90117.6L4 L5 I6K2-L4 PolarHBondContact O-N 3.02Å; K2-L5 PolarHBondContact O-N 3.35Å; K2-I6 WeakPolarHBondContact O-CG1 3.48Å; K2-I6 PolarHBondContact O-N 3.48Å
3P74.4Confident71.2Confident92 Ų92116.8 Ų116.860%0.59759%0.588SS**Hα-helixtrans-71.9-30.2-175.725.9-33.2000113.2M1 I6 M7M1-P3 VanDerWaalsContact C-CD 3.46Å; P3-I6 PolarHBondContact O-N 3.36Å; P3-M7 PolarHBondContact O-N 2.95Å; P3-M7 VanDerWaalsContact O-N 3.08Å
4L77.8Confident70.4Confident111 Ų111120 Ų12058%0.58159%0.59SS**Hα-helixtrans-66.8-38.9178.1-76.2168.5000112.2M1 K2 I6 M7 L8M1-L4 PolarHBondContact O-N 3.47Å; K2-L4 PolarHBondContact O-N 3.02Å; L4-I6 VanDerWaalsContact C-N 3.33Å; L4-M7 PolarHBondContact O-N 3.28Å; L4-L8 WeakPolarHBondContact O-CB 3.44Å; L4-L8 PolarHBondContact O-N 3.42Å
5L75.1Confident69.7Low115 Ų115119.3 Ų119.360%0.60259%0.59SS**Hα-helixtrans-64.1-39.6176.1-80.5164.9000111.9K2 L8 V9K2-L5 PolarHBondContact O-N 3.35Å; L5-L8 PolarHBondContact O-N 3.44Å; L5-V9 VanDerWaalsContact O-CG2 3.29Å; L5-V9 WeakPolarHBondContact O-CG2 3.29Å; L5-V9 PolarHBondContact O-N 3.43Å
6I79.3Confident69Low98 Ų98116.9 Ų116.950%0.50359%0.585SS.*Hα-helixtrans-64-46.5177.1-63.6167000109.7K2 P3 L4 L8 V9 F10K2-I6 WeakPolarHBondContact O-CG1 3.48Å; K2-I6 PolarHBondContact O-N 3.48Å; P3-I6 PolarHBondContact O-N 3.36Å; L4-I6 VanDerWaalsContact C-N 3.33Å; I6-L8 VanDerWaalsContact C-N 3.35Å; I6-L8 PolarHBondContact O-N 3.46Å; I6-V9 PolarHBondContact O-N 3Å; I6-F10 HydrophobicContact CG2-CD2 3.76Å; I6-F10 HydrophobicContact CG2-CE2 3.66Å; I6-F10 VanDerWaalsContact O-CD2 3.25Å; I6-F10 WeakPolarHBondContact O-CD2 3Å; I6-F10 PolarHBondContact O-N 3.28Å
7M74.2Confident68.5Low106 Ų106115.2 Ų115.252%0.52258%0.583SS.*Hα-helixtrans-61.4-41.5178-160.7-159.889.700112.5P3 L4 F10 L11P3-M7 PolarHBondContact O-N 2.95Å; P3-M7 VanDerWaalsContact O-N 3.08Å; L4-M7 PolarHBondContact O-N 3.28Å; M7-F10 PolarHBondContact O-N 3.39Å; M7-L11 HydrophobicContact CE-CD1 3.55Å; M7-L11 WeakPolarHBondContact O-CG 3.47Å; M7-L11 PolarHBondContact O-N 3.1Å
8L73.4Confident67.8Low78 Ų78113.7 Ų113.741%0.40858%0.576SS.*Hα-helixtrans-61.2-47175.5-87.9154.2000111.5L4 L5 I6 F10 L11 F12L4-L8 WeakPolarHBondContact O-CB 3.44Å; L4-L8 PolarHBondContact O-N 3.42Å; L5-L8 PolarHBondContact O-N 3.44Å; I6-L8 VanDerWaalsContact C-N 3.35Å; I6-L8 PolarHBondContact O-N 3.46Å; L8-F10 VanDerWaalsContact C-N 3.33Å; L8-F10 PolarHBondContact O-N 3.41Å; L8-L11 PolarHBondContact O-N 3.36Å; L8-F12 HydrophobicContact CB-CD2 4.44Å; L8-F12 HydrophobicContact CB-CE2 4.26Å; L8-F12 HydrophobicContact CD2-CD2 4.42Å; L8-F12 HydrophobicContact CD2-CE2 3.56Å; L8-F12 HydrophobicContact CD2-CZ 4.17Å; L8-F12 WeakPolarHBondContact O-CD2 3.47Å; L8-F12 PolarHBondContact O-N 3.42Å
9V76.3Confident67.3Low82 Ų82110.6 Ų110.650%0.49757%0.57SS.*Hα-helixtrans-60.5-42.5178.5170.10000111.5L5 I6 F12 L13L5-V9 VanDerWaalsContact O-CG2 3.29Å; L5-V9 WeakPolarHBondContact O-CG2 3.29Å; L5-V9 PolarHBondContact O-N 3.43Å; I6-V9 PolarHBondContact O-N 3Å; V9-F12 PolarHBondContact O-N 3.41Å; V9-L13 HydrophobicContact CG1-CD1 3.63Å; V9-L13 WeakPolarHBondContact O-CB 2.89Å; V9-L13 WeakPolarHBondContact O-CD1 3.45Å; V9-L13 PolarHBondContact O-N 3.05Å
10F70.8Confident66.9Low119 Ų119106.3 Ų106.352%0.52255%0.553SS.*Hα-helixtrans-63.2-41.7175.9-86.4-72.7000112.9I6 M7 L8 L13 W14I6-F10 HydrophobicContact CG2-CD2 3.76Å; I6-F10 HydrophobicContact CG2-CE2 3.66Å; I6-F10 VanDerWaalsContact O-CD2 3.25Å; I6-F10 WeakPolarHBondContact O-CD2 3Å; I6-F10 PolarHBondContact O-N 3.28Å; M7-F10 PolarHBondContact O-N 3.39Å; L8-F10 VanDerWaalsContact C-N 3.33Å; L8-F10 PolarHBondContact O-N 3.41Å; F10-L13 PolarHBondContact O-N 3.43Å; F10-W14 PolarHBondContact O-N 3.08Å; F10-W14 VanDerWaalsContact O-N 3.1Å
11L68.1Low66.5Low89 Ų89105.4 Ų105.447%0.46655%0.549SS..Hα-helixtrans-63.1-44.8176.8-74.5172000112.1M7 L8 L13 W14 D15M7-L11 HydrophobicContact CE-CD1 3.55Å; M7-L11 WeakPolarHBondContact O-CG 3.47Å; M7-L11 PolarHBondContact O-N 3.1Å; L8-L11 PolarHBondContact O-N 3.36Å; L11-L13 VanDerWaalsContact C-N 3.31Å; L11-L13 PolarHBondContact O-N 3.04Å; L11-W14 PolarHBondContact O-N 3.23Å; L11-D15 PolarHBondContact O-N 3.05Å
12F63.4Low66.5Low142 Ų142101.5 Ų101.562%0.62353%0.532SS*.Hα-helixtrans-70.2-23.3178.4-71.5-63.3000114L8 V9 P16L8-F12 HydrophobicContact CB-CD2 4.44Å; L8-F12 HydrophobicContact CB-CE2 4.26Å; L8-F12 HydrophobicContact CD2-CD2 4.42Å; L8-F12 HydrophobicContact CD2-CE2 3.56Å; L8-F12 HydrophobicContact CD2-CZ 4.17Å; L8-F12 WeakPolarHBondContact O-CD2 3.47Å; L8-F12 PolarHBondContact O-N 3.42Å; V9-F12 PolarHBondContact O-N 3.41Å; F12-P16 WeakPolarHBondContact O-CD 3.07Å; F12-P16 WeakPolarHBondContact O-CG 3.25Å
13L64.4Low66.4Low105 Ų10594.8 Ų94.855%0.5551%0.507SS..Hα-helixtrans-81.5-31175.2-87.1155.5000112.6V9 F10 L11 P16V9-L13 HydrophobicContact CG1-CD1 3.63Å; V9-L13 WeakPolarHBondContact O-CB 2.89Å; V9-L13 WeakPolarHBondContact O-CD1 3.45Å; V9-L13 PolarHBondContact O-N 3.05Å; F10-L13 PolarHBondContact O-N 3.43Å; L11-L13 VanDerWaalsContact C-N 3.31Å; L11-L13 PolarHBondContact O-N 3.04Å; L13-P16 WeakPolarHBondContact O-CD 3.3Å
14W60.2Low66.1Low161 Ų16192.9 Ų92.961%0.6149%0.491SS*.Hα-helixtrans-73.4-35.5175.9-83.5-27.3000113.2F10 L11 V17 L18F10-W14 PolarHBondContact O-N 3.08Å; F10-W14 VanDerWaalsContact O-N 3.1Å; L11-W14 PolarHBondContact O-N 3.23Å; W14-V17 PolarHBondContact O-N 2.93Å; W14-L18 HydrophobicContact CB-CD1 4.3Å; W14-L18 WeakPolarHBondContact O-CB 3.17Å; W14-L18 WeakPolarHBondContact O-CD1 3.43Å; W14-L18 VanDerWaalsContact O-CG 3.28Å; W14-L18 WeakPolarHBondContact O-CG 3.4Å; W14-L18 PolarHBondContact O-N 3.16Å
15D60.8Low65.6Low110 Ų11091.7 Ų91.759%0.58849%0.491SS*.Hα-helixtrans-56.9-49.7-179.5-123.1-36.4000114.8L11 V17 L18 A19L11-D15 PolarHBondContact O-N 3.05Å; D15-V17 PolarHBondContact O-N 2.99Å; D15-L18 PolarHBondContact O-N 3.46Å; D15-A19 VanDerWaalsContact O-CB 3.3Å; D15-A19 WeakPolarHBondContact O-CB 3.28Å; D15-A19 PolarHBondContact O-N 3.42Å
16P58.4Low65.4Low80 Ų8090 Ų9052%0.51949%0.488SS..Hα-helixtrans-70.9-32.318024.7-32.5000113F12 L13 A19 G20F12-P16 WeakPolarHBondContact O-CD 3.07Å; F12-P16 WeakPolarHBondContact O-CG 3.25Å; L13-P16 WeakPolarHBondContact O-CD 3.3Å; P16-A19 PolarHBondContact O-N 3.09Å; P16-G20 PolarHBondContact O-N 3.44Å; P16-G20 VanDerWaalsContact O-N 3.09Å
17V59.6Low65.4Low89 Ų8986.3 Ų86.354%0.53947%0.469SS..Hα-helixtrans-66.3-44.8173.6173.80000109.8W14 D15 G20 I21W14-V17 PolarHBondContact O-N 2.93Å; D15-V17 PolarHBondContact O-N 2.99Å; V17-G20 PolarHBondContact O-N 2.79Å; V17-I21 HydrophobicContact CG1-CD1 3.75Å; V17-I21 WeakPolarHBondContact O-CD1 3.37Å; V17-I21 WeakPolarHBondContact O-CG1 3.33Å; V17-I21 PolarHBondContact O-N 3.26Å
18L55.8Low65.6Low88 Ų8883.6 Ų83.646%0.46146%0.456SS..Hα-helixtrans-66.4-36.8174.9-73.3165.7000112.2W14 D15 G20 I21 N22W14-L18 HydrophobicContact CB-CD1 4.3Å; W14-L18 WeakPolarHBondContact O-CB 3.17Å; W14-L18 WeakPolarHBondContact O-CD1 3.43Å; W14-L18 VanDerWaalsContact O-CG 3.28Å; W14-L18 WeakPolarHBondContact O-CG 3.4Å; W14-L18 PolarHBondContact O-N 3.16Å; D15-L18 PolarHBondContact O-N 3.46Å; L18-G20 PolarHBondContact O-N 3.36Å; L18-I21 CarbonylContact O-C 3.38Å; L18-I21 PolarHBondContact O-N 2.89Å; L18-N22 WeakPolarHBondContact O-CB 3.01Å; L18-N22 PolarHBondContact O-N 3.03Å; L18-N22 PolarHBondContact O-ND2 3.5Å
19A58.5Low65.8Low55 Ų5585.7 Ų85.746%0.45546%0.463SS..Hα-helixtrans-63.7-38.4176.800000112.5D15 P16 S23D15-A19 VanDerWaalsContact O-CB 3.3Å; D15-A19 WeakPolarHBondContact O-CB 3.28Å; D15-A19 PolarHBondContact O-N 3.42Å; P16-A19 PolarHBondContact O-N 3.09Å; A19-S23 PolarHBondContact O-OG 2.03Å
20G58.5Low66.2Low24 Ų2486.5 Ų86.525%0.24746%0.46CS..Hα-helixtrans-69.4-38.617200000112.9P16 V17 L18 S23 L24P16-G20 PolarHBondContact O-N 3.44Å; P16-G20 VanDerWaalsContact O-N 3.09Å; V17-G20 PolarHBondContact O-N 2.79Å; L18-G20 PolarHBondContact O-N 3.36Å; G20-S23 PolarHBondContact O-N 3.39Å; G20-S23 PolarHBondContact O-OG 2.76Å; G20-L24 PolarHBondContact O-N 2.9Å
21I60.4Low66.9Low88 Ų8888.5 Ų88.545%0.45147%0.469SS..Hα-helixtrans-69.8-31.6176.4-63162.3000111.5V17 L18 S23 P25V17-I21 HydrophobicContact CG1-CD1 3.75Å; V17-I21 WeakPolarHBondContact O-CD1 3.37Å; V17-I21 WeakPolarHBondContact O-CG1 3.33Å; V17-I21 PolarHBondContact O-N 3.26Å; L18-I21 CarbonylContact O-C 3.38Å; L18-I21 PolarHBondContact O-N 2.89Å; I21-S23 PolarHBondContact O-N 2.72Å; I21-P25 WeakPolarHBondContact O-CD 3.27Å; I21-P25 WeakPolarHBondContact O-CG 3.5Å
22N60.3Low67.8Low122 Ų12285.6 Ų85.665%0.65246%0.455SS*.Hα-helixtrans-71.7-20.1177.7-72.7-35.3000113.1L18L18-N22 WeakPolarHBondContact O-CB 3.01Å; L18-N22 PolarHBondContact O-N 3.03Å; L18-N22 PolarHBondContact O-ND2 3.5Å
23S64.1Low68.6Low36 Ų3685.8 Ų85.825%0.25245%0.453SS..Hα-helixtrans-98.2-16.8-179.442.60000113.8A19 G20 I21 S26 E27 F54A19-S23 PolarHBondContact O-OG 2.03Å; G20-S23 PolarHBondContact O-N 3.39Å; G20-S23 PolarHBondContact O-OG 2.76Å; I21-S23 PolarHBondContact O-N 2.72Å; S23-S26 WeakPolarHBondContact CA-OG 3.06Å; S23-S26 PolarHBondContact O-OG 3.38Å; S23-E27 PolarHBondContact O-N 2.92Å; S23-F54 WeakPolarHBondContact OG-CZ 3.32Å
24L68.2Low69.2Low52 Ų5288.6 Ų88.627%0.27246%0.461SS..Hα-helixtrans-63.5-51170.8-96.3158.3000113.3G20 S26 E27 I28 F54 L56G20-L24 PolarHBondContact O-N 2.9Å; L24-S26 VanDerWaalsContact C-N 3.25Å; L24-S26 PolarHBondContact O-N 3.34Å; L24-E27 PolarHBondContact O-N 3.36Å; L24-E27 VanDerWaalsContact O-N 3.11Å; L24-I28 HydrophobicContact CD2-CD1 4.5Å; L24-I28 WeakPolarHBondContact O-CD1 3.49Å; L24-I28 VanDerWaalsContact O-CG1 3.24Å; L24-I28 WeakPolarHBondContact O-CG1 2.98Å; L24-I28 PolarHBondContact O-N 3.02Å; L24-F54 HydrophobicContact CD2-CB 3.8Å; L24-F54 HydrophobicContact CD2-CD2 4.49Å; L24-F54 HydrophobicContact CD2-CG 4.18Å; L24-F54 HydrophobicContact CG-CB 4.21Å; L24-F54 HydrophobicContact CG-CD1 4.47Å; L24-F54 HydrophobicContact CG-CD2 4.3Å; L24-F54 HydrophobicContact CG-CG 4.07Å; L24-L56 HydrophobicContact CD2-CD1 4.42Å; L24-L56 HydrophobicContact CD2-CD2 4.38Å
25P67.6Low70.3Confident87 Ų8787.2 Ų87.257%0.56547%0.466SS*.Hα-helixtrans-62.2-30.9179.5-19.426.1000113.3I21 E27I21-P25 WeakPolarHBondContact O-CD 3.27Å; I21-P25 WeakPolarHBondContact O-CG 3.5Å; P25-E27 VanDerWaalsContact C-N 3.33Å
26S70.8Confident71.7Confident79 Ų7982 Ų8255%0.55244%0.438SS*.Hα-helixtrans-76.4-23.8178.258.50000112.6S23 L24S23-S26 WeakPolarHBondContact CA-OG 3.06Å; S23-S26 PolarHBondContact O-OG 3.38Å; L24-S26 VanDerWaalsContact C-N 3.25Å; L24-S26 PolarHBondContact O-N 3.34Å
27E79.3Confident73.4Confident21 Ų2180.9 Ų80.910%0.09843%0.427CS..Hα-helixtrans-91.2-31.6177.8-15573.3-172.800112.6S23 L24 P25 H29 K30 C38 C52 M53 L56S23-E27 PolarHBondContact O-N 2.92Å; L24-E27 PolarHBondContact O-N 3.36Å; L24-E27 VanDerWaalsContact O-N 3.11Å; P25-E27 VanDerWaalsContact C-N 3.33Å; E27-H29 PolarHBondContact O-N 2.82Å; E27-K30 VanDerWaalsContact CD-CD 3.42Å; E27-K30 HydrophobicContact CG-CD 4.41Å; E27-K30 WeakPolarHBondContact O-CB 3.39Å; E27-K30 PolarHBondContact O-N 3.42Å; E27-K30 WeakPolarHBondContact OE1-CD 3.16Å; E27-K30 IonicContact OE1-NZ 2.92Å; E27-K30 PolarHBondContact OE1-NZ 3.32Å; E27-K30 VanDerWaalsContact OE2-CD 3.24Å; E27-K30 WeakPolarHBondContact OE2-CD 3.27Å; E27-K30 IonicContact OE2-NZ 2.72Å; E27-K30 PolarHBondContact OE2-NZ 3.25Å; E27-C38 VanDerWaalsContact O-CB 3.29Å; E27-C38 WeakPolarHBondContact O-CB 3.33Å; E27-C52 HydrophobicContact CG-CB 4.41Å; E27-M53 HydrophobicContact CG-CB 3.95Å; E27-L56 HydrophobicContact CB-CD1 4.04Å; E27-L56 HydrophobicContact CG-CD1 4.18Å
28I78.3Confident75Confident49 Ų4976.8 Ų76.825%0.25140%0.402SS..THydrogen-bonded Turntrans-62130.2173.4-65.3161.9000109.1L24 K30 L56L24-I28 HydrophobicContact CD2-CD1 4.5Å; L24-I28 WeakPolarHBondContact O-CD1 3.49Å; L24-I28 VanDerWaalsContact O-CG1 3.24Å; L24-I28 WeakPolarHBondContact O-CG1 2.98Å; L24-I28 PolarHBondContact O-N 3.02Å; I28-K30 PolarHBondContact O-N 2.76Å; I28-L56 HydrophobicContact CG1-CD1 3.79Å; I28-L56 HydrophobicContact CG1-CD2 4.21Å
29H78.6Confident76.6Confident121 Ų12174.3 Ų74.356%0.5639%0.387SS*.THydrogen-bonded Turntrans68.85.4-172.6-53.797.2000116.7E27 I37 C38 R39E27-H29 PolarHBondContact O-N 2.82Å; H29-I37 HydrophobicContact CB-CG2 4.25Å; H29-C38 PolarHBondContact N-O 3.02Å; H29-R39 PolarHBondContact NE2-NH1 3.41Å
30K84.3Confident78.2Confident100 Ų10078 Ų7844%0.43540%0.398SS..  trans-65.5142170.5-165.4-179.6179.2-173.50109.5E27 I28 C32 C38E27-K30 VanDerWaalsContact CD-CD 3.42Å; E27-K30 HydrophobicContact CG-CD 4.41Å; E27-K30 WeakPolarHBondContact O-CB 3.39Å; E27-K30 PolarHBondContact O-N 3.42Å; E27-K30 WeakPolarHBondContact OE1-CD 3.16Å; E27-K30 IonicContact OE1-NZ 2.92Å; E27-K30 PolarHBondContact OE1-NZ 3.32Å; E27-K30 VanDerWaalsContact OE2-CD 3.24Å; E27-K30 WeakPolarHBondContact OE2-CD 3.27Å; E27-K30 IonicContact OE2-NZ 2.72Å; E27-K30 PolarHBondContact OE2-NZ 3.25Å; I28-K30 PolarHBondContact O-N 2.76Å; K30-C32 PolarHBondContact O-N 2.81Å; K30-C38 PolarHBondContact O-N 2.83Å; K30-C38 PolarHBondContact O-SG 2.01Å; K30-C38 VanDerWaalsContact O-SG 3.41Å
31K85.6Confident79.9Confident161 Ų16184 Ų8470%0.742%0.419SS*.EExtended strand (participates in β ladder)trans-65.6132.3174.3-71.3-172.5177.8-174.80109.7G36K31-G36 CarbonylContact C-O 3.35Å; K31-G36 WeakPolarHBondContact CA-O 3.49Å
32C87.1Confident81.4Confident27 Ų2780.7 Ų80.718%0.18240%0.404CS..EExtended strand (participates in β ladder)trans-119.8-168.8171.9660000110K30 K34 N35 G36 I37 C58K30-C32 PolarHBondContact O-N 2.81Å; C32-K34 PolarHBondContact O-N 3.46Å; C32-N35 PolarHBondContact O-N 2.94Å; C32-G36 PolarHBondContact N-O 3.23Å; C32-G36 PolarHBondContact O-N 3.1Å; C32-I37 PolarHBondContact SG-N 2.81Å; C32-I37 VanDerWaalsContact SG-N 3.37Å; C32-C58 HydrophobicContact CB-CB 3.84Å; C32-C58 WeakPolarHBondContact CB-SG 3.37Å; C32-C58 WeakPolarHBondContact SG-CA 3.4Å; C32-C58 WeakPolarHBondContact SG-CB 3.03Å; C32-C58 CovalentContact SG-SG 2.01Å; C32-C58 PolarHBondContact SG-SG 3.29Å
33Y78.9Confident82.9Confident146 Ų14681.3 Ų81.357%0.57340%0.398SS*.G310 helixtrans-41.9133.1-168.3-173.2-100.9000114.6N35 G36Y33-N35 VanDerWaalsContact C-N 3.26Å; Y33-N35 PolarHBondContact O-N 3.34Å; Y33-N35 VanDerWaalsContact O-N 3.1Å; Y33-G36 PolarHBondContact O-N 3.44Å
34K76.9Confident84.1Confident165 Ų16589.3 Ų89.372%0.71743%0.432SS*.G310 helixtrans41.448.8175.3-70.1-174.5-178.7165.90114.2C32C32-K34 PolarHBondContact O-N 3.46Å
35N84.8Confident85.1Confident132 Ų13289.4 Ų89.471%0.70644%0.437SS*.G310 helixtrans79.214.3177.5-118.144.6000116C32 Y33C32-N35 PolarHBondContact O-N 2.94Å; Y33-N35 VanDerWaalsContact C-N 3.26Å; Y33-N35 PolarHBondContact O-N 3.34Å; Y33-N35 VanDerWaalsContact O-N 3.1Å
36G90.4Very high86.3Confident1 Ų186.6 Ų86.61%0.0142%0.416CS..EExtended strand (participates in β ladder)trans-69.5167.617100000113.2K31 C32 Y33 C59K31-G36 CarbonylContact C-O 3.35Å; K31-G36 WeakPolarHBondContact CA-O 3.49Å; C32-G36 PolarHBondContact N-O 3.23Å; C32-G36 PolarHBondContact O-N 3.1Å; Y33-G36 PolarHBondContact O-N 3.44Å; G36-C59 CarbonylContact C-O 3.48Å; G36-C59 WeakPolarHBondContact CA-O 3.35Å
37I93Very high87.2Confident56 Ų5687.8 Ų87.829%0.28741%0.414SS..EExtended strand (participates in β ladder)trans-127.4134179.3-60.7-179.7000108.5H29 C32 R39 C59H29-I37 HydrophobicContact CB-CG2 4.25Å; C32-I37 PolarHBondContact SG-N 2.81Å; C32-I37 VanDerWaalsContact SG-N 3.37Å; I37-R39 HydrophobicContact CG2-CG 4.48Å; I37-C59 PolarHBondContact N-O 3.03Å; I37-C59 PolarHBondContact O-N 3.44Å
38C93.2Very high87.9Confident2 Ų290.5 Ų90.51%0.01443%0.429CS..EExtended strand (participates in β ladder)trans-72.1126.4173.8-56.90000110.7E27 H29 K30 C52 E57E27-C38 VanDerWaalsContact O-CB 3.29Å; E27-C38 WeakPolarHBondContact O-CB 3.33Å; H29-C38 PolarHBondContact N-O 3.02Å; K30-C38 PolarHBondContact O-N 2.83Å; K30-C38 PolarHBondContact O-SG 2.01Å; K30-C38 VanDerWaalsContact O-SG 3.41Å; C38-C52 HydrophobicContact CB-CB 3.73Å; C38-C52 WeakPolarHBondContact CB-SG 2.98Å; C38-C52 WeakPolarHBondContact SG-CB 3.07Å; C38-C52 CovalentContact SG-SG 2.03Å; C38-C52 PolarHBondContact SG-SG 2.81Å; C38-E57 CarbonylContact C-O 3.46Å; C38-E57 VanDerWaalsContact CA-O 3.26Å; C38-E57 WeakPolarHBondContact CA-O 3.5Å
39R90.9Very high88.6Confident37 Ų3791.6 Ų91.614%0.1444%0.438CS..EExtended strand (participates in β ladder)trans-133.1164.4177-61.1-170.9-179.8-71.9-0.9110.6H29 I37 E41 Y43 E46 L56 E57H29-R39 PolarHBondContact NE2-NH1 3.41Å; I37-R39 HydrophobicContact CG2-CG 4.48Å; R39-E41 VanDerWaalsContact C-N 3.28Å; R39-E41 WeakPolarHBondContact CB-O 3.36Å; R39-Y43 PolarHBondContact NH1-OH 2.98Å; R39-E46 VanDerWaalsContact CD-OE2 3.24Å; R39-E46 WeakPolarHBondContact CD-OE2 3.39Å; R39-E46 IonicContact CZ-OE1 3.6Å; R39-E46 IonicContact NE-OE1 3.03Å; R39-E46 PolarHBondContact NE-OE1 3.39Å; R39-E46 IonicContact NE-OE2 3.03Å; R39-E46 PolarHBondContact NE-OE2 2.95Å; R39-E46 IonicContact NH2-OE1 3.29Å; R39-E46 PolarHBondContact NH2-OE1 2.89Å; R39-L56 CarbonylContact O-C 3.5Å; R39-L56 WeakPolarHBondContact O-CA 3.26Å; R39-L56 WeakPolarHBondContact O-CB 3.43Å; R39-L56 WeakPolarHBondContact O-CD2 3.26Å; R39-E57 PolarHBondContact N-O 3.12Å; R39-E57 PolarHBondContact O-N 2.93Å
40L91.2Very high89.2Confident132 Ų13287.7 Ų87.769%0.69143%0.427SS*.SBendtrans-66.7-36.8169.3-78.1160.6000111.2L56L40-L56 HydrophobicContact CB-CD2 4.36Å; L40-L56 HydrophobicContact CD2-CD2 3.52Å; L40-L56 HydrophobicContact CG-CD2 3.76Å
41E93.3Very high89.5Confident149 Ų14990.5 Ų90.570%0.69644%0.435SS*.SBendtrans-150.6138.9176.8-173174.7-165.500107.7R39 E57R39-E41 VanDerWaalsContact C-N 3.28Å; R39-E41 WeakPolarHBondContact CB-O 3.36Å; E41-E57 WeakPolarHBondContact CA-OE2 3.45Å
42C92.2Very high89.8Confident20 Ų2083.9 Ų83.914%0.13541%0.41CS..  trans-69143.6174.1-620000111.1E46 E57 C59C42-E46 HydrophobicContact CB-CB 4.08Å; C42-E57 PolarHBondContact N-OE2 3.03Å; C42-E57 PolarHBondContact SG-OE2 2.94Å; C42-E57 VanDerWaalsContact SG-OE2 3.33Å; C42-C59 WeakPolarHBondContact CA-SG 3.39Å; C42-C59 HydrophobicContact CB-CB 3.79Å; C42-C59 WeakPolarHBondContact CB-SG 3.14Å; C42-C59 WeakPolarHBondContact SG-CA 3.5Å; C42-C59 WeakPolarHBondContact SG-CB 3.24Å; C42-C59 CovalentContact SG-SG 2.03Å; C42-C59 PolarHBondContact SG-SG 3.37Å
43Y91.3Very high89.7Confident135 Ų13588.3 Ų88.353%0.52943%0.429SS..  trans-68.6160.9171.5-60.3-52.8000111.3R39 S45 E46R39-Y43 PolarHBondContact NH1-OH 2.98Å; Y43-S45 PolarHBondContact O-N 3.34Å; Y43-E46 HydrophobicContact CD2-CG 4.43Å; Y43-E46 WeakPolarHBondContact CD2-OE2 3.34Å; Y43-E46 PolarHBondContact N-OE2 3.11Å; Y43-E46 VanDerWaalsContact N-OE2 3.12Å; Y43-E46 WeakPolarHBondContact O-CA 2.75Å; Y43-E46 PolarHBondContact O-N 3.05Å
44E89.9Confident89.9Confident203 Ų20386 Ų8695%0.94942%0.422SS*.THydrogen-bonded Turntrans-57.5-23.6173.3-66.8-166.1158.400113E46E44-E46 VanDerWaalsContact C-N 3.32Å
45S90.2Very high90.3Very high54 Ų5486.5 Ų86.538%0.37843%0.427SS..THydrogen-bonded Turntrans-85.4-1.1175.461.10000115.3Y43 G62 P66Y43-S45 PolarHBondContact O-N 3.34Å; S45-G62 PolarHBondContact O-N 3.48Å; S45-P66 VanDerWaalsContact CA-CG 3.43Å
46E92.1Very high90.6Very high29 Ų2980.2 Ų80.214%0.13639%0.393CS..EExtended strand (participates in β ladder)trans-115.4160.5-179.6-64.8174.5156.500110.5R39 C42 Y43 E44 C59 V60R39-E46 VanDerWaalsContact CD-OE2 3.24Å; R39-E46 WeakPolarHBondContact CD-OE2 3.39Å; R39-E46 IonicContact CZ-OE1 3.6Å; R39-E46 IonicContact NE-OE1 3.03Å; R39-E46 PolarHBondContact NE-OE1 3.39Å; R39-E46 IonicContact NE-OE2 3.03Å; R39-E46 PolarHBondContact NE-OE2 2.95Å; R39-E46 IonicContact NH2-OE1 3.29Å; R39-E46 PolarHBondContact NH2-OE1 2.89Å; C42-E46 HydrophobicContact CB-CB 4.08Å; Y43-E46 HydrophobicContact CD2-CG 4.43Å; Y43-E46 WeakPolarHBondContact CD2-OE2 3.34Å; Y43-E46 PolarHBondContact N-OE2 3.11Å; Y43-E46 VanDerWaalsContact N-OE2 3.12Å; Y43-E46 WeakPolarHBondContact O-CA 2.75Å; Y43-E46 PolarHBondContact O-N 3.05Å; E44-E46 VanDerWaalsContact C-N 3.32Å; E46-C59 HydrophobicContact CB-CB 3.99Å; E46-C59 HydrophobicContact CG-CB 4.36Å; E46-C59 VanDerWaalsContact OE2-CB 3.26Å; E46-C59 WeakPolarHBondContact OE2-CB 3.4Å; E46-V60 CarbonylContact C-O 3.55Å; E46-V60 WeakPolarHBondContact CA-O 3.45Å; E46-V60 WeakPolarHBondContact CB-O 3.24Å
47M90.8Very high90.8Very high104 Ų10482.3 Ų82.351%0.51240%0.403SS..EExtended strand (participates in β ladder)trans-117.5133.4174-67.9179.3-179.500109.8V49 V60M47-V49 PolarHBondContact O-N 2.78Å; M47-V60 HydrophobicContact CB-CG2 4.17Å; M47-V60 PolarHBondContact N-O 3.29Å; M47-V60 PolarHBondContact O-N 3.5Å
48L92.9Very high90.8Very high77 Ų7779.7 Ų79.740%0.40339%0.39SS..EExtended strand (participates in β ladder)trans-69.9120.1170.3175.967.8000109.8A50 Y51 E57L48-A50 WeakPolarHBondContact CD1-O 3.35Å; L48-Y51 HydrophobicContact CD1-CE1 4.23Å; L48-Y51 HydrophobicContact CD2-CE1 4.3Å; L48-E57 HydrophobicContact CD1-CB 3.62Å; L48-E57 HydrophobicContact CD1-CG 3.76Å
49V92.9Very high90.8Very high72 Ų7279.7 Ų79.744%0.43639%0.39SS..EExtended strand (participates in β ladder)trans-118-21.6179.8-68.10000114M47 C58 V60M47-V49 PolarHBondContact O-N 2.78Å; V49-C58 HydrophobicContact CG2-CB 4.37Å; V49-C58 WeakPolarHBondContact CG2-O 3.24Å; V49-C58 PolarHBondContact N-O 3.04Å; V49-V60 HydrophobicContact CG1-CG1 4.47Å; V49-V60 HydrophobicContact CG1-CG2 3.51Å; V49-V60 HydrophobicContact CG2-CG1 3.81Å; V49-V60 HydrophobicContact CG2-CG2 4.26Å
50A92.3Very high90.9Very high40 Ų4079.5 Ų79.533%0.33139%0.392SS..EExtended strand (participates in β ladder)trans-163.7-177.4178.700000109.9L48 C58L48-A50 WeakPolarHBondContact CD1-O 3.35Å; A50-C58 HydrophobicContact CB-CB 3.88Å; A50-C58 VanDerWaalsContact O-CB 3.27Å; A50-C58 WeakPolarHBondContact O-CB 3.19Å; A50-C58 PolarHBondContact O-N 3.33Å
51Y90.6Very high90.8Very high158 Ų15878.3 Ų78.362%0.6239%0.39SS*.EExtended strand (participates in β ladder)trans-115.8143.5169.1-64.2-80.7000110.1L48 L56 E57L48-Y51 HydrophobicContact CD1-CE1 4.23Å; L48-Y51 HydrophobicContact CD2-CE1 4.3Å; Y51-L56 CarbonylContact C-O 3.43Å; Y51-L56 VanDerWaalsContact CA-O 3.27Å; Y51-L56 WeakPolarHBondContact CA-O 3.13Å; Y51-E57 HydrophobicContact CD1-CG 4.45Å; Y51-E57 HydrophobicContact CE1-CG 4.2Å
52C90.3Very high90.4Very high23 Ų2371.5 Ų71.516%0.15536%0.361CS..  trans-91.8-174.3169.9-54.30000110.6E27 C38 L56E27-C52 HydrophobicContact CG-CB 4.41Å; C38-C52 HydrophobicContact CB-CB 3.73Å; C38-C52 WeakPolarHBondContact CB-SG 2.98Å; C38-C52 WeakPolarHBondContact SG-CB 3.07Å; C38-C52 CovalentContact SG-SG 2.03Å; C38-C52 PolarHBondContact SG-SG 2.81Å; C52-L56 HydrophobicContact CB-CB 4.04Å; C52-L56 PolarHBondContact N-O 2.03Å
53M86.4Confident89.7Confident119 Ų11977.6 Ų77.659%0.58639%0.392SS*.G310 helixtrans-60.1157.6172.3-74.7-177.115300111.2E27 Q55 L56E27-M53 HydrophobicContact CG-CB 3.95Å; M53-Q55 PolarHBondContact O-N 3.16Å; M53-L56 WeakPolarHBondContact O-CB 3.29Å; M53-L56 WeakPolarHBondContact O-CG 2.99Å; M53-L56 PolarHBondContact O-N 3.27Å
54F83.1Confident89Confident97 Ų9776.5 Ų76.543%0.42540%0.401SS..G310 helixtrans58.829.6-179.3-53.7-77.4000114.8S23 L24 L56S23-F54 WeakPolarHBondContact OG-CZ 3.32Å; L24-F54 HydrophobicContact CD2-CB 3.8Å; L24-F54 HydrophobicContact CD2-CD2 4.49Å; L24-F54 HydrophobicContact CD2-CG 4.18Å; L24-F54 HydrophobicContact CG-CB 4.21Å; L24-F54 HydrophobicContact CG-CD1 4.47Å; L24-F54 HydrophobicContact CG-CD2 4.3Å; L24-F54 HydrophobicContact CG-CG 4.07Å; F54-L56 PolarHBondContact O-N 2.78Å; F54-L56 VanDerWaalsContact O-N 3.16Å
55Q85.3Confident87.7Confident176 Ų17669.9 Ų69.982%0.82238%0.382SS*.G310 helixtrans61.319.4179.1-55177.3-900113.9M53M53-Q55 PolarHBondContact O-N 3.16Å
56L90.7Very high86.3Confident1 Ų174.6 Ų74.61%0.00541%0.411CS..  trans-66.6146.7171.5-65.2173.8000110.1L24 E27 I28 R39 L40 Y51 C52 M53 F54L24-L56 HydrophobicContact CD2-CD1 4.42Å; L24-L56 HydrophobicContact CD2-CD2 4.38Å; E27-L56 HydrophobicContact CB-CD1 4.04Å; E27-L56 HydrophobicContact CG-CD1 4.18Å; I28-L56 HydrophobicContact CG1-CD1 3.79Å; I28-L56 HydrophobicContact CG1-CD2 4.21Å; R39-L56 CarbonylContact O-C 3.5Å; R39-L56 WeakPolarHBondContact O-CA 3.26Å; R39-L56 WeakPolarHBondContact O-CB 3.43Å; R39-L56 WeakPolarHBondContact O-CD2 3.26Å; L40-L56 HydrophobicContact CB-CD2 4.36Å; L40-L56 HydrophobicContact CD2-CD2 3.52Å; L40-L56 HydrophobicContact CG-CD2 3.76Å; Y51-L56 CarbonylContact C-O 3.43Å; Y51-L56 VanDerWaalsContact CA-O 3.27Å; Y51-L56 WeakPolarHBondContact CA-O 3.13Å; C52-L56 HydrophobicContact CB-CB 4.04Å; C52-L56 PolarHBondContact N-O 2.03Å; M53-L56 WeakPolarHBondContact O-CB 3.29Å; M53-L56 WeakPolarHBondContact O-CG 2.99Å; M53-L56 PolarHBondContact O-N 3.27Å; F54-L56 PolarHBondContact O-N 2.78Å; F54-L56 VanDerWaalsContact O-N 3.16Å
57E94.1Very high86Confident45 Ų4576.9 Ų76.921%0.2142%0.424CS..EExtended strand (participates in β ladder)trans-81.4134.2176.6-66.5-165.516000110.9C38 R39 E41 C42 L48 Y51C38-E57 CarbonylContact C-O 3.46Å; C38-E57 VanDerWaalsContact CA-O 3.26Å; C38-E57 WeakPolarHBondContact CA-O 3.5Å; R39-E57 PolarHBondContact N-O 3.12Å; R39-E57 PolarHBondContact O-N 2.93Å; E41-E57 WeakPolarHBondContact CA-OE2 3.45Å; C42-E57 PolarHBondContact N-OE2 3.03Å; C42-E57 PolarHBondContact SG-OE2 2.94Å; C42-E57 VanDerWaalsContact SG-OE2 3.33Å; L48-E57 HydrophobicContact CD1-CB 3.62Å; L48-E57 HydrophobicContact CD1-CG 3.76Å; Y51-E57 HydrophobicContact CD1-CG 4.45Å; Y51-E57 HydrophobicContact CE1-CG 4.2Å
58C93.7Very high85.8Confident1 Ų175.4 Ų75.41%0.00742%0.42CS..EExtended strand (participates in β ladder)trans-90.4109.1168.6175.50000108.9C32 V49 A50C32-C58 HydrophobicContact CB-CB 3.84Å; C32-C58 WeakPolarHBondContact CB-SG 3.37Å; C32-C58 WeakPolarHBondContact SG-CA 3.4Å; C32-C58 WeakPolarHBondContact SG-CB 3.03Å; C32-C58 CovalentContact SG-SG 2.01Å; C32-C58 PolarHBondContact SG-SG 3.29Å; V49-C58 HydrophobicContact CG2-CB 4.37Å; V49-C58 WeakPolarHBondContact CG2-O 3.24Å; V49-C58 PolarHBondContact N-O 3.04Å; A50-C58 HydrophobicContact CB-CB 3.88Å; A50-C58 VanDerWaalsContact O-CB 3.27Å; A50-C58 WeakPolarHBondContact O-CB 3.19Å; A50-C58 PolarHBondContact O-N 3.33Å
59C93.4Very high85.4Confident2 Ų275.3 Ų75.31%0.01442%0.421CS..EExtended strand (participates in β ladder)trans-107.7130.2-170.8-52.10000110.7G36 I37 C42 E46G36-C59 CarbonylContact C-O 3.48Å; G36-C59 WeakPolarHBondContact CA-O 3.35Å; I37-C59 PolarHBondContact N-O 3.03Å; I37-C59 PolarHBondContact O-N 3.44Å; C42-C59 WeakPolarHBondContact CA-SG 3.39Å; C42-C59 HydrophobicContact CB-CB 3.79Å; C42-C59 WeakPolarHBondContact CB-SG 3.14Å; C42-C59 WeakPolarHBondContact SG-CA 3.5Å; C42-C59 WeakPolarHBondContact SG-CB 3.24Å; C42-C59 CovalentContact SG-SG 2.03Å; C42-C59 PolarHBondContact SG-SG 3.37Å; E46-C59 HydrophobicContact CB-CB 3.99Å; E46-C59 HydrophobicContact CG-CB 4.36Å; E46-C59 VanDerWaalsContact OE2-CB 3.26Å; E46-C59 WeakPolarHBondContact OE2-CB 3.4Å
60V92.6Very high84.9Confident32 Ų3275.5 Ų75.519%0.19442%0.42CS..EExtended strand (participates in β ladder)trans-115.4147.6171.9-65.70000109.6E46 M47 V49 G62E46-V60 CarbonylContact C-O 3.55Å; E46-V60 WeakPolarHBondContact CA-O 3.45Å; E46-V60 WeakPolarHBondContact CB-O 3.24Å; M47-V60 HydrophobicContact CB-CG2 4.17Å; M47-V60 PolarHBondContact N-O 3.29Å; M47-V60 PolarHBondContact O-N 3.5Å; V49-V60 HydrophobicContact CG1-CG1 4.47Å; V49-V60 HydrophobicContact CG1-CG2 3.51Å; V49-V60 HydrophobicContact CG2-CG1 3.81Å; V49-V60 HydrophobicContact CG2-CG2 4.26Å; V60-G62 PolarHBondContact O-N 2.86Å
61T89.8Confident84.5Confident107 Ų10777.8 Ų77.866%0.65643%0.425SS*.EExtended strand (participates in β ladder)trans-56.5128.2172.9-50.50000110.1
62G83.8Confident84.1Confident7 Ų772.4 Ų72.47%0.07241%0.412CS..  trans-58.8147.9176.100000111.5S45 V60 P64 A65S45-G62 PolarHBondContact O-N 3.48Å; V60-G62 PolarHBondContact O-N 2.86Å; G62-P64 CarbonylContact C-O 3.42Å; G62-P64 CarbonylContact O-C 3.59Å; G62-A65 WeakPolarHBondContact O-CA 3.49Å; G62-A65 PolarHBondContact O-N 3.05Å; G62-A65 VanDerWaalsContact O-N 3.16Å
63N77.3Confident83.6Confident148 Ų14875.9 Ų75.979%0.79143%0.431SS*.SBendtrans-132113.8173.6-170.35.8000109.9
64P76.1Confident83.4Confident111 Ų11172.6 Ų72.672%0.72142%0.419SS*.SBendcis-63.11481.128.7-34.2000111.1G62G62-P64 CarbonylContact C-O 3.42Å; G62-P64 CarbonylContact O-C 3.59Å
65A64.4Low83.4Confident65 Ų6570.6 Ų70.654%0.53742%0.418SS..  trans-59.6139.616700000107.7G62G62-A65 WeakPolarHBondContact O-CA 3.49Å; G62-A65 PolarHBondContact O-N 3.05Å; G62-A65 VanDerWaalsContact O-N 3.16Å
66P60Low83.3Confident152 Ų15261 Ų6199%0.98738%0.381SS*.  trans-610173.914.2-15.7000112.5S45S45-P66 VanDerWaalsContact CA-CG 3.43Å

Retrieved 66 of 66 residues in 23.7 ms (Link to these results)