A0A059U1E2_CAPHI Loading...

Beta-defensin

Has antibacterial activity.

AlphaFold DB , UniProt , Accession A0A059U1E2, Species CAPHI (Capra hircus, Goat), Gene DEFB121, Length 60 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M64.1Low72.5Confident194 Ų194119.2 Ų119.296%0.95661%0.609SS**  0-55.70-52.8-50.4176.100113.1F3 L4M1-F3 PolarHBondContact O-N 3.44Å; M1-L4 PolarHBondContact O-N 3.27Å
2K68.4Low72.1Confident166 Ų166117 Ų11772%0.72260%0.599SS**Hα-helixtrans-61-42.3-176.8-158.989109.2-178.20114.4L4 L5 I6K2-L4 PolarHBondContact O-N 3.07Å; K2-L5 PolarHBondContact O-N 3.31Å; K2-I6 HydrophobicContact CG-CD1 4.28Å; K2-I6 WeakPolarHBondContact O-CG1 3.4Å; K2-I6 PolarHBondContact O-N 3.49Å
3F72.8Confident71.3Confident178 Ų178116.2 Ų116.278%0.78160%0.596SS**Hα-helixtrans-65-34.7-177.8-68.5-76.6000114.1M1 L5 I6 L7M1-F3 PolarHBondContact O-N 3.44Å; F3-L5 VanDerWaalsContact C-N 3.33Å; F3-L5 PolarHBondContact O-N 3.27Å; F3-I6 PolarHBondContact O-N 3.3Å; F3-L7 PolarHBondContact O-N 3.42Å
4L75Confident70.7Confident116 Ų116113.2 Ų113.261%0.60760%0.597SS**Hα-helixtrans-65.1-39.1177.7-69.5168.1000111.4M1 K2 L7 T8M1-L4 PolarHBondContact O-N 3.27Å; K2-L4 PolarHBondContact O-N 3.07Å; L4-L7 PolarHBondContact O-N 3.04Å; L4-T8 WeakPolarHBondContact O-CG2 3.4Å; L4-T8 PolarHBondContact O-N 3.14Å; L4-T8 VanDerWaalsContact O-N 3.14Å; L4-T8 PolarHBondContact O-OG1 3.47Å
5L74Confident70.1Confident114 Ų114114.5 Ų114.560%0.59760%0.598SS**Hα-helixtrans-67.4-35.3176.7-74.1164.6000112.5K2 F3 T8 V9K2-L5 PolarHBondContact O-N 3.31Å; F3-L5 VanDerWaalsContact C-N 3.33Å; F3-L5 PolarHBondContact O-N 3.27Å; L5-T8 PolarHBondContact O-OG1 3.03Å; L5-V9 VanDerWaalsContact O-CG2 3.23Å; L5-V9 WeakPolarHBondContact O-CG2 3.38Å; L5-V9 PolarHBondContact O-N 3.43Å
6I75.6Confident69.2Low98 Ų98113.8 Ų113.850%0.50360%0.6SS.*Hα-helixtrans-68.8-44177.8-61.6163.5000109.7K2 F3 T8 V9 T10K2-I6 HydrophobicContact CG-CD1 4.28Å; K2-I6 WeakPolarHBondContact O-CG1 3.4Å; K2-I6 PolarHBondContact O-N 3.49Å; F3-I6 PolarHBondContact O-N 3.3Å; I6-T8 PolarHBondContact O-N 3.01Å; I6-V9 PolarHBondContact O-N 3.38Å; I6-T10 PolarHBondContact O-N 3.45Å; I6-T10 PolarHBondContact O-OG1 2.96Å; I6-T10 VanDerWaalsContact O-OG1 3.04Å
7L73.8Confident68.6Low105 Ų105112.8 Ų112.855%0.5560%0.6SS.*Hα-helixtrans-61.7-43.1-179.7-167.773.4000112.2F3 L4 T10 L11F3-L7 PolarHBondContact O-N 3.42Å; L4-L7 PolarHBondContact O-N 3.04Å; L7-T10 WeakPolarHBondContact CA-OG1 3.23Å; L7-T10 PolarHBondContact O-N 3.32Å; L7-T10 PolarHBondContact O-OG1 2.97Å; L7-L11 PolarHBondContact O-N 3.22Å
8T75.8Confident68.2Low75 Ų75113.2 Ų113.246%0.4661%0.609SS.*Hα-helixtrans-64.9-42178.352.40000111.7L4 L5 I6 L11 L12L4-T8 WeakPolarHBondContact O-CG2 3.4Å; L4-T8 PolarHBondContact O-N 3.14Å; L4-T8 VanDerWaalsContact O-N 3.14Å; L4-T8 PolarHBondContact O-OG1 3.47Å; L5-T8 PolarHBondContact O-OG1 3.03Å; I6-T8 PolarHBondContact O-N 3.01Å; T8-L11 PolarHBondContact O-N 3.41Å; T8-L12 WeakPolarHBondContact O-CB 3.38Å; T8-L12 WeakPolarHBondContact O-CD1 3.41Å; T8-L12 WeakPolarHBondContact O-CG 3.37Å; T8-L12 PolarHBondContact O-N 2.84Å
9V76.5Confident68.3Low82 Ų82109.5 Ų109.550%0.49760%0.596SS.*Hα-helixtrans-63-43.4176.8171.60000111.6L5 I6 L12 L13L5-V9 VanDerWaalsContact O-CG2 3.23Å; L5-V9 WeakPolarHBondContact O-CG2 3.38Å; L5-V9 PolarHBondContact O-N 3.43Å; I6-V9 PolarHBondContact O-N 3.38Å; V9-L12 PolarHBondContact O-N 3.48Å; V9-L13 HydrophobicContact CG1-CD1 4Å; V9-L13 WeakPolarHBondContact O-CG 3.33Å; V9-L13 PolarHBondContact O-N 3.27Å
10T73.1Confident69.1Low73 Ų73108.6 Ų108.645%0.44859%0.589SS.*Hα-helixtrans-65.1-40.8176.340.50000112.9I6 L7 L12 L13 A14I6-T10 PolarHBondContact O-N 3.45Å; I6-T10 PolarHBondContact O-OG1 2.96Å; I6-T10 VanDerWaalsContact O-OG1 3.04Å; L7-T10 WeakPolarHBondContact CA-OG1 3.23Å; L7-T10 PolarHBondContact O-N 3.32Å; L7-T10 PolarHBondContact O-OG1 2.97Å; T10-L12 VanDerWaalsContact C-N 3.32Å; T10-L12 PolarHBondContact O-N 3.46Å; T10-L13 PolarHBondContact O-N 3.26Å; T10-A14 PolarHBondContact O-N 3.41Å
11L68.6Low70.1Confident110 Ų110109.6 Ų109.658%0.57659%0.588SS**Hα-helixtrans-62.9-42.3176.2-113.881.3000110.9L7 T8 A14 Q15L7-L11 PolarHBondContact O-N 3.22Å; T8-L11 PolarHBondContact O-N 3.41Å; L11-A14 PolarHBondContact O-N 2.89Å; L11-Q15 WeakPolarHBondContact O-CG 2.87Å; L11-Q15 PolarHBondContact O-N 3.33Å; L11-Q15 PolarHBondContact O-NE2 3.06Å
12L67.1Low71.3Confident93 Ų93101.1 Ų101.149%0.48755%0.547SS..Hα-helixtrans-61.4-40.3176.9-81.9157.5000112.3T8 V9 T10 Q15 V16T8-L12 WeakPolarHBondContact O-CB 3.38Å; T8-L12 WeakPolarHBondContact O-CD1 3.41Å; T8-L12 WeakPolarHBondContact O-CG 3.37Å; T8-L12 PolarHBondContact O-N 2.84Å; V9-L12 PolarHBondContact O-N 3.48Å; T10-L12 VanDerWaalsContact C-N 3.32Å; T10-L12 PolarHBondContact O-N 3.46Å; L12-Q15 WeakPolarHBondContact O-CG 3.43Å; L12-Q15 PolarHBondContact O-N 3.27Å; L12-V16 WeakPolarHBondContact O-CG2 3.02Å; L12-V16 PolarHBondContact O-N 3.21Å
13L62Low72.4Confident107 Ų10798.4 Ų98.456%0.5653%0.533SS*.Hα-helixtrans-66.6-38.5178.8-71.2164.3000112.4V9 T10 Q15 V16 T17V9-L13 HydrophobicContact CG1-CD1 4Å; V9-L13 WeakPolarHBondContact O-CG 3.33Å; V9-L13 PolarHBondContact O-N 3.27Å; T10-L13 PolarHBondContact O-N 3.26Å; L13-Q15 VanDerWaalsContact C-N 3.32Å; L13-Q15 PolarHBondContact O-N 3.03Å; L13-V16 PolarHBondContact O-N 3.35Å; L13-T17 PolarHBondContact O-N 3.46Å
14A62.8Low73.1Confident74 Ų7497 Ų9761%0.61253%0.533SS*.Hα-helixtrans-66-30178.400000113.8T10 L11 T17T10-A14 PolarHBondContact O-N 3.41Å; L11-A14 PolarHBondContact O-N 2.89Å; A14-T17 PolarHBondContact O-OG1 2.99Å
15Q61.6Low73.7Confident132 Ų13296.6 Ų96.662%0.61753%0.532SS*.Hα-helixtrans-75.3-32.8175.6-9.1173.4-21.700111.7L11 L12 L13L11-Q15 WeakPolarHBondContact O-CG 2.87Å; L11-Q15 PolarHBondContact O-N 3.33Å; L11-Q15 PolarHBondContact O-NE2 3.06Å; L12-Q15 WeakPolarHBondContact O-CG 3.43Å; L12-Q15 PolarHBondContact O-N 3.27Å; L13-Q15 VanDerWaalsContact C-N 3.32Å; L13-Q15 PolarHBondContact O-N 3.03Å
16V56.1Low74.5Confident103 Ų10394.7 Ų94.762%0.62452%0.522SS*.Hα-helixtrans-89.2-23.5-168.5178.60000112.1L12 L13 P18L12-V16 WeakPolarHBondContact O-CG2 3.02Å; L12-V16 PolarHBondContact O-N 3.21Å; L13-V16 PolarHBondContact O-N 3.35Å; V16-P18 WeakPolarHBondContact O-CD 3.17Å
17T59.2Low75.3Confident98 Ų9890.2 Ų90.260%0.60150%0.5SS*.SBendtrans-64.2107.2172.446.60000109.5L13 A14 A19L13-T17 PolarHBondContact O-N 3.46Å; A14-T17 PolarHBondContact O-OG1 2.99Å; T17-A19 PolarHBondContact O-N 2.83Å; T17-A19 VanDerWaalsContact O-N 3.11Å
18P61.4Low76.1Confident119 Ų11991.2 Ų91.277%0.77350%0.496SS*.  trans-70.1116.1178.317.5-7.9000106.9V16 M20V16-P18 WeakPolarHBondContact O-CD 3.17Å; P18-M20 PolarHBondContact O-N 3.38Å
19A70.6Confident76.9Confident43 Ų4388.1 Ų88.136%0.35548%0.478SS..  trans-55.9112.3174.100000108.4T17 K21 R28T17-A19 PolarHBondContact O-N 2.83Å; T17-A19 VanDerWaalsContact O-N 3.11Å; A19-K21 PolarHBondContact O-N 2.76Å; A19-K21 VanDerWaalsContact O-N 3.15Å; A19-R28 HydrophobicContact CB-CB 4.24Å; A19-R28 HydrophobicContact CB-CG 4.11Å
20M83.6Confident77.5Confident92 Ų9287.3 Ų87.345%0.45347%0.466SS..  trans-61.2121.3-176.1-169163.498.400108.3P18 C29 K44P18-M20 PolarHBondContact O-N 3.38Å; M20-C29 HydrophobicContact CB-CB 4.1Å; M20-C29 WeakPolarHBondContact O-CB 3.14Å; M20-C29 PolarHBondContact O-N 2.04Å; M20-C29 PolarHBondContact O-SG 3.38Å; M20-C29 VanDerWaalsContact O-SG 3.41Å; M20-K44 HydrophobicContact CE-CB 4.44Å
21K89.4Confident78.3Confident130 Ų13092.2 Ų92.257%0.56548%0.484SS*.EExtended strand (participates in β ladder)trans-73.8145.4-178.5-65.9-176.8-176.61780110A19 N25 G27A19-K21 PolarHBondContact O-N 2.76Å; A19-K21 VanDerWaalsContact O-N 3.15Å; K21-N25 WeakPolarHBondContact CB-OD1 3.37Å; K21-N25 HydrophobicContact CD-CB 4.03Å; K21-N25 WeakPolarHBondContact CD-OD1 3.34Å; K21-G27 WeakPolarHBondContact CA-O 3.41Å
22C90.5Very high79.2Confident16 Ų1692 Ų9211%0.10849%0.487CS..EExtended strand (participates in β ladder)trans-137174.8176.463.10000109.8N24 N25 L26 G27 C49C22-N24 PolarHBondContact O-N 3.24Å; C22-N25 PolarHBondContact O-N 3.4Å; C22-N25 VanDerWaalsContact O-N 3.14Å; C22-L26 PolarHBondContact O-N 3.3Å; C22-G27 PolarHBondContact N-O 3.18Å; C22-G27 PolarHBondContact O-N 3.42Å; C22-C49 HydrophobicContact CB-CB 3.84Å; C22-C49 WeakPolarHBondContact CB-SG 3.13Å; C22-C49 WeakPolarHBondContact SG-CA 3.43Å; C22-C49 WeakPolarHBondContact SG-CB 3.38Å; C22-C49 CovalentContact SG-SG 2.02Å; C22-C49 PolarHBondContact SG-SG 3.2Å
23W90.1Very high80.4Confident108 Ų10889 Ų8941%0.40947%0.473SS..THydrogen-bonded Turntrans48.559.9179.3-163.3-112.6000113.5N25 L26 H40 I51W23-N25 VanDerWaalsContact C-N 3.25Å; W23-N25 PolarHBondContact O-N 3.47Å; W23-N25 VanDerWaalsContact O-N 3.17Å; W23-L26 VanDerWaalsContact O-CB 3.26Å; W23-L26 WeakPolarHBondContact O-CB 2.95Å; W23-L26 WeakPolarHBondContact O-CG 3.11Å; W23-L26 PolarHBondContact O-N 3.03Å; W23-H40 AromaticContact CD2-CD2 3.68Å; W23-H40 AromaticContact CD2-NE2 3.6Å; W23-H40 AromaticContact CE2-NE2 3.71Å; W23-H40 AromaticContact CE3-CD2 3.39Å; W23-H40 AromaticContact CE3-NE2 3.22Å; W23-H40 AromaticContact CH2-CE1 3.8Å; W23-H40 AromaticContact CH2-NE2 3.13Å; W23-H40 WeakPolarHBondContact CH2-NE2 3.1Å; W23-H40 AromaticContact CZ2-CE1 3.88Å; W23-H40 AromaticContact CZ2-NE2 3.51Å; W23-H40 AromaticContact CZ3-CD2 3.66Å; W23-H40 AromaticContact CZ3-NE2 2.98Å; W23-H40 WeakPolarHBondContact CZ3-NE2 3.43Å; W23-I51 HydrophobicContact CB-CD1 3.51Å; W23-I51 HydrophobicContact CB-CG1 4.12Å; W23-I51 VanDerWaalsContact CD1-CD1 3.42Å; W23-I51 HydrophobicContact CD2-CD1 4.01Å; W23-I51 HydrophobicContact CG-CD1 3.35Å; W23-I51 HydrophobicContact CG-CG1 4.37Å
24N89.3Confident81.7Confident149 Ų14988.6 Ų88.680%0.79747%0.469SS*.THydrogen-bonded Turntrans50.841.1-178.5-159.728.2000114.2C22 L26C22-N24 PolarHBondContact O-N 3.24Å; N24-L26 VanDerWaalsContact C-N 3.26Å; N24-L26 PolarHBondContact O-N 2.82Å
25N87.9Confident83Confident107 Ų10794.6 Ų94.657%0.57248%0.484SS*.THydrogen-bonded Turntrans708-177-56-54.7000116.6K21 C22 W23K21-N25 WeakPolarHBondContact CB-OD1 3.37Å; K21-N25 HydrophobicContact CD-CB 4.03Å; K21-N25 WeakPolarHBondContact CD-OD1 3.34Å; C22-N25 PolarHBondContact O-N 3.4Å; C22-N25 VanDerWaalsContact O-N 3.14Å; W23-N25 VanDerWaalsContact C-N 3.25Å; W23-N25 PolarHBondContact O-N 3.47Å; W23-N25 VanDerWaalsContact O-N 3.17Å
26L89.8Confident84.3Confident74 Ų7494.4 Ų94.439%0.38749%0.487SS..THydrogen-bonded Turntrans-86.5-14.9176.1-58.9170.9000112.7C22 W23 N24 H55C22-L26 PolarHBondContact O-N 3.3Å; W23-L26 VanDerWaalsContact O-CB 3.26Å; W23-L26 WeakPolarHBondContact O-CB 2.95Å; W23-L26 WeakPolarHBondContact O-CG 3.11Å; W23-L26 PolarHBondContact O-N 3.03Å; N24-L26 VanDerWaalsContact C-N 3.26Å; N24-L26 PolarHBondContact O-N 2.82Å; L26-H55 HydrophobicContact CB-CB 4.27Å; L26-H55 HydrophobicContact CD1-CB 4.35Å; L26-H55 HydrophobicContact CD2-CB 4.4Å
27G91.8Very high86.1Confident4 Ų491.3 Ų91.34%0.04147%0.466CS..EExtended strand (participates in β ladder)trans-125.4169.4178.400000113.7K21 C22 C50K21-G27 WeakPolarHBondContact CA-O 3.41Å; C22-G27 PolarHBondContact N-O 3.18Å; C22-G27 PolarHBondContact O-N 3.42Å; G27-C50 CarbonylContact C-O 3.54Å; G27-C50 WeakPolarHBondContact CA-O 3.47Å
28R91.5Very high87.7Confident126 Ų12689.5 Ų89.548%0.47546%0.455SS..EExtended strand (participates in β ladder)trans-128.5138173.2-71.9178.1179.7-173.70.4110.1A19 C50A19-R28 HydrophobicContact CB-CB 4.24Å; A19-R28 HydrophobicContact CB-CG 4.11Å; R28-C50 PolarHBondContact N-O 2.02Å; R28-C50 PolarHBondContact O-N 3.38Å
29C91.3Very high89.2Confident11 Ų1189.1 Ų89.17%0.07444%0.441CS..EExtended strand (participates in β ladder)trans-74.2125.5170.6-59.90000109.5M20 C43 M48M20-C29 HydrophobicContact CB-CB 4.1Å; M20-C29 WeakPolarHBondContact O-CB 3.14Å; M20-C29 PolarHBondContact O-N 2.04Å; M20-C29 PolarHBondContact O-SG 3.38Å; M20-C29 VanDerWaalsContact O-SG 3.41Å; C29-C43 HydrophobicContact CB-CB 3.75Å; C29-C43 WeakPolarHBondContact CB-SG 3.02Å; C29-C43 WeakPolarHBondContact SG-CB 3.45Å; C29-C43 CovalentContact SG-SG 2.03Å; C29-C43 PolarHBondContact SG-SG 2.78Å; C29-M48 CarbonylContact C-O 3.55Å; C29-M48 VanDerWaalsContact CA-O 3.28Å; C29-M48 WeakPolarHBondContact CA-O 3.43Å
30R89.6Confident90.1Very high65 Ų6590 Ų9025%0.24544%0.438CS..EExtended strand (participates in β ladder)trans-140.5159.7179.2-58.6176.3-175.6-102.214.4109.3T32 E34 E37 G47 M48R30-T32 VanDerWaalsContact C-N 3.28Å; R30-T32 WeakPolarHBondContact CB-O 3.49Å; R30-E34 IonicContact CZ-OE1 3.89Å; R30-E34 IonicContact NE-OE1 3.06Å; R30-E34 IonicContact NH1-OE1 3.78Å; R30-E34 PolarHBondContact NH1-OE1 2.87Å; R30-E34 IonicContact NH2-OE1 2.76Å; R30-E34 PolarHBondContact NH2-OE1 2.95Å; R30-E37 WeakPolarHBondContact CD-OE2 3.49Å; R30-E37 IonicContact CZ-OE1 2.83Å; R30-E37 IonicContact CZ-OE2 3.78Å; R30-E37 IonicContact NE-OE1 3.99Å; R30-E37 PolarHBondContact NE-OE1 3.32Å; R30-E37 IonicContact NE-OE2 3.46Å; R30-E37 PolarHBondContact NE-OE2 3.05Å; R30-E37 IonicContact NH2-OE1 3.01Å; R30-E37 PolarHBondContact NH2-OE1 2.95Å; R30-E37 IonicContact NH2-OE2 3.21Å; R30-G47 CarbonylContact O-C 3.59Å; R30-G47 WeakPolarHBondContact O-CA 3.32Å; R30-M48 PolarHBondContact N-O 2.78Å; R30-M48 WeakPolarHBondContact O-CA 3.1Å; R30-M48 WeakPolarHBondContact O-CB 3Å; R30-M48 PolarHBondContact O-N 2.99Å
31E89.6Confident90.5Very high176 Ų17689.5 Ų89.582%0.82244%0.436SS*.SBendtrans-67.4-33.7170.8-68.1-179.4172.300111.8
32T89.3Confident90.7Very high106 Ų10689.8 Ų89.865%0.6544%0.441SS*.SBendtrans-143138.8177-53.80000109R30R30-T32 VanDerWaalsContact C-N 3.28Å; R30-T32 WeakPolarHBondContact CB-O 3.49Å
33C90.4Very high90.7Very high28 Ų2889.8 Ų89.819%0.18944%0.441CS..  trans-72.2146.7177.2-60.10000111.7E37 C50C33-E37 HydrophobicContact CB-CB 4.08Å; C33-C50 WeakPolarHBondContact CA-SG 3.03Å; C33-C50 HydrophobicContact CB-CB 3.7Å; C33-C50 WeakPolarHBondContact CB-SG 3.28Å; C33-C50 VanDerWaalsContact SG-CA 3.55Å; C33-C50 WeakPolarHBondContact SG-CB 3.48Å; C33-C50 CovalentContact SG-SG 2.04Å; C33-C50 PolarHBondContact SG-SG 3.42Å
34E90.6Very high90.5Very high100 Ų10094.3 Ų94.347%0.46746%0.463SS..  trans-68.5159.5171.6-65.3179.2-163.400110.3R30 N36 E37R30-E34 IonicContact CZ-OE1 3.89Å; R30-E34 IonicContact NE-OE1 3.06Å; R30-E34 IonicContact NH1-OE1 3.78Å; R30-E34 PolarHBondContact NH1-OE1 2.87Å; R30-E34 IonicContact NH2-OE1 2.76Å; R30-E34 PolarHBondContact NH2-OE1 2.95Å; E34-N36 PolarHBondContact O-N 3.23Å; E34-E37 HydrophobicContact CB-CG 4.24Å; E34-E37 PolarHBondContact N-OE2 3.23Å; E34-E37 PolarHBondContact O-N 2.68Å
35Q90Very high90.2Very high200 Ų20091.7 Ų91.794%0.93545%0.449SS*.THydrogen-bonded Turntrans-56.5-24.5-177.6-69.4177.2-4600114
36N89.1Confident90Very high128 Ų12895 Ų9568%0.68446%0.461SS*.THydrogen-bonded Turntrans-102.113.8179.8-62.1-47.1000113E34 P53E34-N36 PolarHBondContact O-N 3.23Å; N36-P53 WeakPolarHBondContact O-CD 3.48Å
37E92.6Very high90Very high37 Ų3791.7 Ų91.717%0.17345%0.445CS..  trans-118.1153.1175.1-66.5177.2154.100109.5R30 C33 E34 C50 I51R30-E37 WeakPolarHBondContact CD-OE2 3.49Å; R30-E37 IonicContact CZ-OE1 2.83Å; R30-E37 IonicContact CZ-OE2 3.78Å; R30-E37 IonicContact NE-OE1 3.99Å; R30-E37 PolarHBondContact NE-OE1 3.32Å; R30-E37 IonicContact NE-OE2 3.46Å; R30-E37 PolarHBondContact NE-OE2 3.05Å; R30-E37 IonicContact NH2-OE1 3.01Å; R30-E37 PolarHBondContact NH2-OE1 2.95Å; R30-E37 IonicContact NH2-OE2 3.21Å; C33-E37 HydrophobicContact CB-CB 4.08Å; E34-E37 HydrophobicContact CB-CG 4.24Å; E34-E37 PolarHBondContact N-OE2 3.23Å; E34-E37 PolarHBondContact O-N 2.68Å; E37-C50 HydrophobicContact CB-CB 3.93Å; E37-C50 HydrophobicContact CG-CB 4.36Å; E37-C50 WeakPolarHBondContact OE2-CB 3.11Å; E37-I51 CarbonylContact C-O 3.52Å; E37-I51 WeakPolarHBondContact CA-O 3.41Å
38V92.7Very high90Very high61 Ų6194.9 Ų94.937%0.3746%0.46SS..EExtended strand (participates in β ladder)trans-114.1139.3175.1-120.70000109H40 I51 P53 L56V38-H40 PolarHBondContact O-N 2.92Å; V38-I51 WeakPolarHBondContact CG2-O 3.06Å; V38-I51 PolarHBondContact N-O 2.95Å; V38-I51 PolarHBondContact O-N 2.88Å; V38-P53 HydrophobicContact CG2-CB 4.09Å; V38-P53 HydrophobicContact CG2-CG 3.79Å; V38-L56 HydrophobicContact CB-CD1 4.31Å; V38-L56 HydrophobicContact CG2-CD1 3.58Å
39F93Very high90.1Very high111 Ų11188.9 Ų88.949%0.48744%0.437SS..EExtended strand (participates in β ladder)trans-64.7130.7168.2171.5-102.2000109.7I41 M48F39-I41 VanDerWaalsContact CE2-C 3.46Å; F39-I41 VanDerWaalsContact CE2-O 3.32Å; F39-I41 WeakPolarHBondContact CE2-O 3.03Å; F39-M48 HydrophobicContact CD2-CB 3.77Å; F39-M48 HydrophobicContact CD2-CG 3.79Å; F39-M48 HydrophobicContact CD2-SD 4.27Å; F39-M48 HydrophobicContact CE2-CB 4.17Å; F39-M48 HydrophobicContact CE2-CG 4.02Å
40H90.6Very high90.2Very high62 Ų6288.4 Ų88.429%0.28743%0.434SS..EExtended strand (participates in β ladder)trans-115.9-55.8178.2-169.667.6000113W23 V38 C49 I51W23-H40 AromaticContact CD2-CD2 3.68Å; W23-H40 AromaticContact CD2-NE2 3.6Å; W23-H40 AromaticContact CE2-NE2 3.71Å; W23-H40 AromaticContact CE3-CD2 3.39Å; W23-H40 AromaticContact CE3-NE2 3.22Å; W23-H40 AromaticContact CH2-CE1 3.8Å; W23-H40 AromaticContact CH2-NE2 3.13Å; W23-H40 WeakPolarHBondContact CH2-NE2 3.1Å; W23-H40 AromaticContact CZ2-CE1 3.88Å; W23-H40 AromaticContact CZ2-NE2 3.51Å; W23-H40 AromaticContact CZ3-CD2 3.66Å; W23-H40 AromaticContact CZ3-NE2 2.98Å; W23-H40 WeakPolarHBondContact CZ3-NE2 3.43Å; V38-H40 PolarHBondContact O-N 2.92Å; H40-C49 PolarHBondContact N-O 3.08Å; H40-I51 HydrophobicContact CB-CD1 3.29Å; H40-I51 HydrophobicContact CB-CG1 3.99Å
41I91.9Very high90.4Very high81 Ų8185.3 Ų85.342%0.41542%0.422SS..EExtended strand (participates in β ladder)trans-147.9164.317959.3172000110.6F39 C49F39-I41 VanDerWaalsContact CE2-C 3.46Å; F39-I41 VanDerWaalsContact CE2-O 3.32Å; F39-I41 WeakPolarHBondContact CE2-O 3.03Å; I41-C49 HydrophobicContact CG1-CB 3.64Å; I41-C49 WeakPolarHBondContact O-CA 3.14Å; I41-C49 WeakPolarHBondContact O-CB 2.98Å; I41-C49 PolarHBondContact O-N 2.03Å
42M92.4Very high90.5Very high135 Ų13578.4 Ų78.467%0.66539%0.394SS*.EExtended strand (participates in β ladder)trans-80137170.7-147.5122.173.800110.6G47M42-G47 CarbonylContact C-O 3.47Å
43C90.4Very high90.4Very high16 Ų1676.7 Ų76.711%0.10838%0.384CS..  trans-81.5163.5172.8-67.40000111.1C29 N45 E46 G47C29-C43 HydrophobicContact CB-CB 3.75Å; C29-C43 WeakPolarHBondContact CB-SG 3.02Å; C29-C43 WeakPolarHBondContact SG-CB 3.45Å; C29-C43 CovalentContact SG-SG 2.03Å; C29-C43 PolarHBondContact SG-SG 2.78Å; C43-N45 WeakPolarHBondContact CB-OD1 3.4Å; C43-N45 PolarHBondContact O-N 3.15Å; C43-E46 PolarHBondContact O-N 2.95Å; C43-E46 VanDerWaalsContact O-N 3.08Å; C43-G47 WeakPolarHBondContact CB-O 3.01Å; C43-G47 PolarHBondContact N-O 3.11Å
44K85.8Confident90.2Very high204 Ų20484.4 Ų84.489%0.88742%0.415SS*.THydrogen-bonded Turntrans-63-22.9179.3-68.3-174.1177.5-176.80113.9M20 E46M20-K44 HydrophobicContact CE-CB 4.44Å; K44-E46 VanDerWaalsContact C-N 3.25Å
45N84Confident89.8Confident94 Ų9484.2 Ų84.250%0.50341%0.414SS..THydrogen-bonded Turntrans-9222.1177.169.9-30.4000112.3C43 G47C43-N45 WeakPolarHBondContact CB-OD1 3.4Å; C43-N45 PolarHBondContact O-N 3.15Å; N45-G47 PolarHBondContact O-N 3.11Å; N45-G47 PolarHBondContact OD1-N 2.94Å
46E83.9Confident89.3Confident175 Ų17577.1 Ų77.182%0.81838%0.382SS*.SBendtrans63.34.1-177.7-55176.4177.200114.5C43 K44C43-E46 PolarHBondContact O-N 2.95Å; C43-E46 VanDerWaalsContact O-N 3.08Å; K44-E46 VanDerWaalsContact C-N 3.25Å
47G90Very high88.7Confident5 Ų576.5 Ų76.55%0.05239%0.385CS..  trans-74.4163.1171.200000112.7R30 M42 C43 N45R30-G47 CarbonylContact O-C 3.59Å; R30-G47 WeakPolarHBondContact O-CA 3.32Å; M42-G47 CarbonylContact C-O 3.47Å; C43-G47 WeakPolarHBondContact CB-O 3.01Å; C43-G47 PolarHBondContact N-O 3.11Å; N45-G47 PolarHBondContact O-N 3.11Å; N45-G47 PolarHBondContact OD1-N 2.94Å
48M92.4Very high87.5Confident72 Ų7279.2 Ų79.236%0.35541%0.414SS..EExtended strand (participates in β ladder)trans-82.1127.5170.8-66-176.8-162.800110.7C29 R30 F39 C50C29-M48 CarbonylContact C-O 3.55Å; C29-M48 VanDerWaalsContact CA-O 3.28Å; C29-M48 WeakPolarHBondContact CA-O 3.43Å; R30-M48 PolarHBondContact N-O 2.78Å; R30-M48 WeakPolarHBondContact O-CA 3.1Å; R30-M48 WeakPolarHBondContact O-CB 3Å; R30-M48 PolarHBondContact O-N 2.99Å; F39-M48 HydrophobicContact CD2-CB 3.77Å; F39-M48 HydrophobicContact CD2-CG 3.79Å; F39-M48 HydrophobicContact CD2-SD 4.27Å; F39-M48 HydrophobicContact CE2-CB 4.17Å; F39-M48 HydrophobicContact CE2-CG 4.02Å; M48-C50 PolarHBondContact O-N 2.73Å; M48-C50 PolarHBondContact O-SG 3.14Å; M48-C50 VanDerWaalsContact O-SG 3.38Å
49C92.9Very high86Confident0 Ų088.6 Ų88.60%044%0.442CS..EExtended strand (participates in β ladder)trans-75.6105.6165.5-179.80000108.8C22 H40 I41C22-C49 HydrophobicContact CB-CB 3.84Å; C22-C49 WeakPolarHBondContact CB-SG 3.13Å; C22-C49 WeakPolarHBondContact SG-CA 3.43Å; C22-C49 WeakPolarHBondContact SG-CB 3.38Å; C22-C49 CovalentContact SG-SG 2.02Å; C22-C49 PolarHBondContact SG-SG 3.2Å; H40-C49 PolarHBondContact N-O 3.08Å; I41-C49 HydrophobicContact CG1-CB 3.64Å; I41-C49 WeakPolarHBondContact O-CA 3.14Å; I41-C49 WeakPolarHBondContact O-CB 2.98Å; I41-C49 PolarHBondContact O-N 2.03Å
50C93.5Very high83.8Confident0 Ų094 Ų940%048%0.476CS..EExtended strand (participates in β ladder)trans-100.2125.8-177.4-55.90000109.5G27 R28 C33 E37 M48G27-C50 CarbonylContact C-O 3.54Å; G27-C50 WeakPolarHBondContact CA-O 3.47Å; R28-C50 PolarHBondContact N-O 2.02Å; R28-C50 PolarHBondContact O-N 3.38Å; C33-C50 WeakPolarHBondContact CA-SG 3.03Å; C33-C50 HydrophobicContact CB-CB 3.7Å; C33-C50 WeakPolarHBondContact CB-SG 3.28Å; C33-C50 VanDerWaalsContact SG-CA 3.55Å; C33-C50 WeakPolarHBondContact SG-CB 3.48Å; C33-C50 CovalentContact SG-SG 2.04Å; C33-C50 PolarHBondContact SG-SG 3.42Å; E37-C50 HydrophobicContact CB-CB 3.93Å; E37-C50 HydrophobicContact CG-CB 4.36Å; E37-C50 WeakPolarHBondContact OE2-CB 3.11Å; M48-C50 PolarHBondContact O-N 2.73Å; M48-C50 PolarHBondContact O-SG 3.14Å; M48-C50 VanDerWaalsContact O-SG 3.38Å
51I92.9Very high83.4Confident0 Ų095.6 Ų95.60%049%0.486CS..EExtended strand (participates in β ladder)trans-125.1139.8-174.9-53.2172.9000108.4W23 E37 V38 H40 H55 L56W23-I51 HydrophobicContact CB-CD1 3.51Å; W23-I51 HydrophobicContact CB-CG1 4.12Å; W23-I51 VanDerWaalsContact CD1-CD1 3.42Å; W23-I51 HydrophobicContact CD2-CD1 4.01Å; W23-I51 HydrophobicContact CG-CD1 3.35Å; W23-I51 HydrophobicContact CG-CG1 4.37Å; E37-I51 CarbonylContact C-O 3.52Å; E37-I51 WeakPolarHBondContact CA-O 3.41Å; V38-I51 WeakPolarHBondContact CG2-O 3.06Å; V38-I51 PolarHBondContact N-O 2.95Å; V38-I51 PolarHBondContact O-N 2.88Å; H40-I51 HydrophobicContact CB-CD1 3.29Å; H40-I51 HydrophobicContact CB-CG1 3.99Å; I51-H55 HydrophobicContact CG2-CB 4.07Å; I51-L56 HydrophobicContact CD1-CD2 4.3Å; I51-L56 HydrophobicContact CG2-CD2 4.29Å; I51-L56 HydrophobicContact CG2-CG 4.45Å
52S91.5Very high83Confident32 Ų3296.3 Ų96.322%0.22449%0.489CS..  trans-66.4132.5170.7-177.40000110.2K54 H55S52-K54 PolarHBondContact O-N 2.96Å; S52-H55 PolarHBondContact O-N 3.04Å
53P88.3Confident82.4Confident70 Ų7094.2 Ų94.246%0.45548%0.479SS..G310 helixtrans-51.8-27.5178.9-16.517.3000113.7N36 V38 H55 L56N36-P53 WeakPolarHBondContact O-CD 3.48Å; V38-P53 HydrophobicContact CG2-CB 4.09Å; V38-P53 HydrophobicContact CG2-CG 3.79Å; P53-H55 PolarHBondContact O-N 3.38Å; P53-L56 WeakPolarHBondContact O-CB 3.26Å; P53-L56 PolarHBondContact O-N 3.41Å
54K86.4Confident82Confident190 Ų19098.8 Ų98.883%0.82650%0.501SS*.G310 helixtrans-61.4-24.7178.3-60.7-179.3-177.9179.40113.9S52S52-K54 PolarHBondContact O-N 2.96Å
55H81.9Confident81.7Confident96 Ų9692.2 Ų92.244%0.44448%0.477SS..G310 helixtrans-94-5.8178.1-55.9108.4000112.6L26 I51 S52 P53L26-H55 HydrophobicContact CB-CB 4.27Å; L26-H55 HydrophobicContact CD1-CB 4.35Å; L26-H55 HydrophobicContact CD2-CB 4.4Å; I51-H55 HydrophobicContact CG2-CB 4.07Å; S52-H55 PolarHBondContact O-N 3.04Å; P53-H55 PolarHBondContact O-N 3.38Å
56L78.8Confident81.6Confident51 Ų5192.1 Ų92.127%0.26748%0.476SS..SBendtrans-86.6137.4173.4-62.6177.8000108.7V38 I51 P53 A58V38-L56 HydrophobicContact CB-CD1 4.31Å; V38-L56 HydrophobicContact CG2-CD1 3.58Å; I51-L56 HydrophobicContact CD1-CD2 4.3Å; I51-L56 HydrophobicContact CG2-CD2 4.29Å; I51-L56 HydrophobicContact CG2-CG 4.45Å; P53-L56 WeakPolarHBondContact O-CB 3.26Å; P53-L56 PolarHBondContact O-N 3.41Å; L56-A58 PolarHBondContact O-N 3.34Å
57P77.1Confident81.4Confident114 Ų11486.1 Ų86.174%0.7445%0.451SS*.PPolyproline II helixtrans-59.3135.4172.123.9-30.4000109R59P57-R59 PolarHBondContact O-N 3.17Å; P57-R59 VanDerWaalsContact O-N 3.11Å
58A67.9Low80.7Confident95 Ų9592.4 Ų92.479%0.78548%0.482SS*.PPolyproline II helixtrans-56.5120.4169.600000107.5L56 N60L56-A58 PolarHBondContact O-N 3.34Å; A58-N60 PolarHBondContact O-N 2.95Å
59R60.1Low79.8Confident257 Ų25794.1 Ų94.197%0.9749%0.492SS*.  trans-62105.1166.3-102.9-170177.81780106.1P57P57-R59 PolarHBondContact O-N 3.17Å; P57-R59 VanDerWaalsContact O-N 3.11Å
60N45.9Very low78.6Confident224 Ų224102.6 Ų102.6100%1.19854%0.537SS*.  trans-890168.9-163.382.9000109.7A58A58-N60 PolarHBondContact O-N 2.95Å

Retrieved 60 of 60 residues in 16.6 ms (Link to these results)