A0A059U2L0_CAPHI Loading...

Beta-defensin

Has antibacterial activity.

AlphaFold DB , UniProt , Accession A0A059U2L0, Species CAPHI (Capra hircus, Goat), Gene DEFB126, Length 93 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
1M62.3Low83.6Confident208 Ų208124 Ų124100%1.02563%0.626SS**  0440-56.9-172.5-82.500112.8
2K70.4Confident83.9Confident173 Ų173121.7 Ų121.775%0.75262%0.615SS**  trans-97.2-36.2178-107.692.5156.8166.80112.3L4 L5K2-L4 PolarHBondContact O-N 3.27Å; K2-L5 PolarHBondContact O-N 3.48Å
3S78.6Confident83.9Confident92 Ų92120.8 Ų120.864%0.64361%0.612SS**Hα-helixtrans-63.9-40.9-175.7179.80000112.9L5 F6 T7S3-L5 VanDerWaalsContact C-N 3.29Å; S3-L5 PolarHBondContact O-N 2.97Å; S3-F6 WeakPolarHBondContact O-CB 3.46Å; S3-F6 PolarHBondContact O-N 3.11Å; S3-F6 VanDerWaalsContact O-N 3.13Å; S3-T7 PolarHBondContact O-N 3.13Å; S3-T7 VanDerWaalsContact O-N 3.11Å; S3-T7 PolarHBondContact O-OG1 3.43Å
4L85.4Confident83.9Confident131 Ų131118.9 Ų118.969%0.68660%0.604SS**Hα-helixtrans-59.2-37.1179.2-70.1172.2000113.5K2 T7 L8K2-L4 PolarHBondContact O-N 3.27Å; L4-T7 PolarHBondContact O-N 3.41Å; L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 PolarHBondContact O-N 3.09Å
5L87.4Confident83.7Confident110 Ų110116.9 Ų116.958%0.57660%0.6SS**Hα-helixtrans-67.5-39.4178.8-66.7172.7000111.4K2 S3 L8 I9K2-L5 PolarHBondContact O-N 3.48Å; S3-L5 VanDerWaalsContact C-N 3.29Å; S3-L5 PolarHBondContact O-N 2.97Å; L5-L8 PolarHBondContact O-N 3.39Å; L5-I9 WeakPolarHBondContact O-CD1 3.38Å; L5-I9 VanDerWaalsContact O-CG1 3.26Å; L5-I9 WeakPolarHBondContact O-CG1 3.49Å; L5-I9 PolarHBondContact O-N 2.97Å
6F87.6Confident83.2Confident145 Ų145117.6 Ų117.664%0.63660%0.599SS**Hα-helixtrans-63.2-44.8175.3-91.9-82.6000111.9S3 L8 I9 L10S3-F6 WeakPolarHBondContact O-CB 3.46Å; S3-F6 PolarHBondContact O-N 3.11Å; S3-F6 VanDerWaalsContact O-N 3.13Å; F6-L8 VanDerWaalsContact C-N 3.29Å; F6-L8 PolarHBondContact O-N 3.39Å; F6-I9 PolarHBondContact O-N 3.05Å; F6-L10 WeakPolarHBondContact O-CG 3.44Å; F6-L10 PolarHBondContact O-N 3.37Å; F6-L10 VanDerWaalsContact O-N 3.09Å
7T89.9Confident82.7Confident64 Ų64118.8 Ų118.839%0.39361%0.607SS.*Hα-helixtrans-61.2-41.6177.7-34.90000111.2S3 L4 L10 F11S3-T7 PolarHBondContact O-N 3.13Å; S3-T7 VanDerWaalsContact O-N 3.11Å; S3-T7 PolarHBondContact O-OG1 3.43Å; L4-T7 PolarHBondContact O-N 3.41Å; T7-L10 PolarHBondContact O-N 3.04Å; T7-F11 HydrophobicContact CG2-CD2 4.32Å; T7-F11 HydrophobicContact CG2-CE2 4.46Å; T7-F11 WeakPolarHBondContact O-CD2 3.31Å; T7-F11 PolarHBondContact O-N 3.41Å
8L88.9Confident82.2Confident102 Ų102119.3 Ų119.353%0.53462%0.616SS.*Hα-helixtrans-66.5-42-179.4-163.5147.3000112L4 L5 F6 F11 I12L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 PolarHBondContact O-N 3.09Å; L5-L8 PolarHBondContact O-N 3.39Å; F6-L8 VanDerWaalsContact C-N 3.29Å; F6-L8 PolarHBondContact O-N 3.39Å; L8-F11 PolarHBondContact O-N 3.07Å; L8-I12 HydrophobicContact CD2-CD1 3.58Å; L8-I12 HydrophobicContact CD2-CG1 4.35Å; L8-I12 WeakPolarHBondContact O-CG1 3.26Å; L8-I12 PolarHBondContact O-N 3.04Å
9I90.1Very high81.2Confident95 Ų95115.2 Ų115.249%0.48760%0.599SS.*Hα-helixtrans-62-44.7175.7-69.1162.8000111.3L5 F6 F11 I12 L13L5-I9 WeakPolarHBondContact O-CD1 3.38Å; L5-I9 VanDerWaalsContact O-CG1 3.26Å; L5-I9 WeakPolarHBondContact O-CG1 3.49Å; L5-I9 PolarHBondContact O-N 2.97Å; F6-I9 PolarHBondContact O-N 3.05Å; I9-F11 VanDerWaalsContact C-N 3.34Å; I9-F11 PolarHBondContact O-N 3.47Å; I9-I12 PolarHBondContact O-N 3.02Å; I9-L13 HydrophobicContact CG2-CD1 4.04Å; I9-L13 WeakPolarHBondContact O-CG 3.28Å; I9-L13 PolarHBondContact O-N 3.35Å
10L90.4Very high79.9Confident103 Ų103112.2 Ų112.254%0.53960%0.597SS.*Hα-helixtrans-61.6-42.3177.6-73.8171.7000111.8F6 T7 L13 L14F6-L10 WeakPolarHBondContact O-CG 3.44Å; F6-L10 PolarHBondContact O-N 3.37Å; F6-L10 VanDerWaalsContact O-N 3.09Å; T7-L10 PolarHBondContact O-N 3.04Å; L10-L13 PolarHBondContact O-N 3.46Å; L10-L14 VanDerWaalsContact O-CG 3.28Å; L10-L14 WeakPolarHBondContact O-CG 3.39Å; L10-L14 PolarHBondContact O-N 3.33Å
11F88.5Confident78.9Confident141 Ų141112.7 Ų112.762%0.61860%0.6SS**Hα-helixtrans-61.4-44.9176.2-102.6-86.5000112.5T7 L8 I9 L13 L14 V15T7-F11 HydrophobicContact CG2-CD2 4.32Å; T7-F11 HydrophobicContact CG2-CE2 4.46Å; T7-F11 WeakPolarHBondContact O-CD2 3.31Å; T7-F11 PolarHBondContact O-N 3.41Å; L8-F11 PolarHBondContact O-N 3.07Å; I9-F11 VanDerWaalsContact C-N 3.34Å; I9-F11 PolarHBondContact O-N 3.47Å; F11-L13 VanDerWaalsContact C-N 3.34Å; F11-L13 PolarHBondContact O-N 3.34Å; F11-L14 PolarHBondContact O-N 3.25Å; F11-V15 VanDerWaalsContact O-CG2 3.31Å; F11-V15 WeakPolarHBondContact O-CG2 3.26Å; F11-V15 PolarHBondContact O-N 2.95Å
12I87.1Confident78.6Confident96 Ų96112.8 Ų112.849%0.49259%0.589SS.*Hα-helixtrans-62.7-42.6178.2-66.4174.9000110.8L8 I9 L14 V15 Q16L8-I12 HydrophobicContact CD2-CD1 3.58Å; L8-I12 HydrophobicContact CD2-CG1 4.35Å; L8-I12 WeakPolarHBondContact O-CG1 3.26Å; L8-I12 PolarHBondContact O-N 3.04Å; I9-I12 PolarHBondContact O-N 3.02Å; I12-L14 PolarHBondContact O-N 2.95Å; I12-V15 PolarHBondContact O-N 3.44Å; I12-Q16 WeakPolarHBondContact O-CG 3.46Å; I12-Q16 PolarHBondContact O-N 3.48Å
13L84Confident78.2Confident110 Ų110111.3 Ų111.358%0.57659%0.59SS**Hα-helixtrans-62.1-42.5177.1-76168.2000112I9 L10 F11 Q16 L17I9-L13 HydrophobicContact CG2-CD1 4.04Å; I9-L13 WeakPolarHBondContact O-CG 3.28Å; I9-L13 PolarHBondContact O-N 3.35Å; L10-L13 PolarHBondContact O-N 3.46Å; F11-L13 VanDerWaalsContact C-N 3.34Å; F11-L13 PolarHBondContact O-N 3.34Å; L13-Q16 PolarHBondContact O-N 2.86Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 PolarHBondContact O-N 3.3Å
14L84.4Confident77.9Confident95 Ų95109.3 Ų109.350%0.49757%0.573SS.*Hα-helixtrans-63.5-41.8176.2-72.6166.9000111.7L10 F11 I12 Q16 L17 V18L10-L14 VanDerWaalsContact O-CG 3.28Å; L10-L14 WeakPolarHBondContact O-CG 3.39Å; L10-L14 PolarHBondContact O-N 3.33Å; F11-L14 PolarHBondContact O-N 3.25Å; I12-L14 PolarHBondContact O-N 2.95Å; L14-Q16 VanDerWaalsContact C-N 3.32Å; L14-Q16 PolarHBondContact O-N 3.31Å; L14-L17 PolarHBondContact O-N 3.31Å; L14-V18 WeakPolarHBondContact O-CB 2.98Å; L14-V18 VanDerWaalsContact O-CG2 3.26Å; L14-V18 WeakPolarHBondContact O-CG2 3.34Å; L14-V18 PolarHBondContact O-N 3.05Å
15V80.8Confident77.8Confident89 Ų89110 Ų11054%0.53957%0.567SS.*Hα-helixtrans-60.5-43.1175.8170.60000110.9F11 I12 S19F11-V15 VanDerWaalsContact O-CG2 3.31Å; F11-V15 WeakPolarHBondContact O-CG2 3.26Å; F11-V15 PolarHBondContact O-N 2.95Å; I12-V15 PolarHBondContact O-N 3.44Å; V15-S19 WeakPolarHBondContact O-CB 3.41Å; V15-S19 PolarHBondContact O-N 3.37Å
16Q75.3Confident77.7Confident127 Ų127109.4 Ų109.459%0.59356%0.56SS**Hα-helixtrans-68.1-36177.7-63.5-72.64100112.7I12 L13 L14 G20I12-Q16 WeakPolarHBondContact O-CG 3.46Å; I12-Q16 PolarHBondContact O-N 3.48Å; L13-Q16 PolarHBondContact O-N 2.86Å; L14-Q16 VanDerWaalsContact C-N 3.32Å; L14-Q16 PolarHBondContact O-N 3.31Å; Q16-G20 PolarHBondContact O-N 3.33Å; Q16-G20 VanDerWaalsContact O-N 3.17Å
17L75.3Confident77.6Confident139 Ų139102.6 Ų102.673%0.72853%0.53SS*.Hα-helixtrans-69.4-45.8178.1-171.869.4000111.6L13 L14 G20L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 PolarHBondContact O-N 3.3Å; L14-L17 PolarHBondContact O-N 3.31Å; L17-G20 PolarHBondContact O-N 3.41Å
18V73.5Confident77.4Confident127 Ų127100.3 Ų100.377%0.7752%0.517SS*.Hα-helixtrans-71.1-36.2178.7175.50000111.2L14 G20L14-V18 WeakPolarHBondContact O-CB 2.98Å; L14-V18 VanDerWaalsContact O-CG2 3.26Å; L14-V18 WeakPolarHBondContact O-CG2 3.34Å; L14-V18 PolarHBondContact O-N 3.05Å; V18-G20 PolarHBondContact O-N 2.89Å
19S63.5Low77.2Confident41 Ų41103.3 Ų103.329%0.28753%0.534SS..THydrogen-bonded Turntrans-76.4-9.4178.5-164.80000113.1V15 N21 W22V15-S19 WeakPolarHBondContact O-CB 3.41Å; V15-S19 PolarHBondContact O-N 3.37Å; S19-N21 PolarHBondContact O-N 3.38Å; S19-W22 PolarHBondContact O-N 3.17Å; S19-W22 WeakPolarHBondContact OG-CB 3.46Å
20G54.7Low76.9Confident55 Ų55106.9 Ų106.957%0.56755%0.546SS*.THydrogen-bonded Turntrans4668.1167.500000113.3Q16 L17 V18 W22Q16-G20 PolarHBondContact O-N 3.33Å; Q16-G20 VanDerWaalsContact O-N 3.17Å; L17-G20 PolarHBondContact O-N 3.41Å; V18-G20 PolarHBondContact O-N 2.89Å; G20-W22 PolarHBondContact O-N 3.27Å
21N58.5Low76.7Confident123 Ų123105.3 Ų105.366%0.65855%0.548SS*.  trans42.560.9179.4-169.379000112.7S19 N23S19-N21 PolarHBondContact O-N 3.38Å; N21-N23 PolarHBondContact ND2-O 3.01Å; N21-N23 PolarHBondContact O-N 3.44Å
22W55.6Low76.6Confident210 Ų21098.7 Ų98.780%0.79552%0.519SS*.  trans-55.7-18.9179-170.7-87.9000114.2S19 G20 V24S19-W22 PolarHBondContact O-N 3.17Å; S19-W22 WeakPolarHBondContact OG-CB 3.46Å; G20-W22 PolarHBondContact O-N 3.27Å; W22-V24 PolarHBondContact O-N 2.92Å
23N62.6Low76.7Confident143 Ų14395.6 Ų95.677%0.76550%0.504SS*.  trans-79.368.9172.4-87.7-20.7000111.8N21 R25N21-N23 PolarHBondContact ND2-O 3.01Å; N21-N23 PolarHBondContact O-N 3.44Å; N23-R25 PolarHBondContact O-N 3.16Å; N23-R25 VanDerWaalsContact O-N 3.16Å
24V73.4Confident76.8Confident50 Ų5091 Ų9130%0.30348%0.48SS..  trans-68.9110.1165.7-166.70000107.5W22 K26 N33 C34W22-V24 PolarHBondContact O-N 2.92Å; V24-K26 PolarHBondContact O-N 2.76Å; V24-N33 HydrophobicContact CG1-CB 3.85Å; V24-C34 WeakPolarHBondContact CG1-O 3.1Å
25R82.9Confident76.9Confident144 Ų14488.9 Ų88.954%0.54347%0.466SS..  trans-55.8132.4-179.1-169.7163.7-177.6-165.12.6109.7N23 C34 M51N23-R25 PolarHBondContact O-N 3.16Å; N23-R25 VanDerWaalsContact O-N 3.16Å; R25-C34 HydrophobicContact CB-CB 4.21Å; R25-C34 WeakPolarHBondContact O-CB 3.23Å; R25-C34 PolarHBondContact O-N 3.09Å; R25-C34 PolarHBondContact O-SG 3Å; R25-C34 VanDerWaalsContact O-SG 3.33Å; R25-M51 WeakPolarHBondContact CD-O 3.05Å; R25-M51 PolarHBondContact NE-O 2.81Å; R25-M51 PolarHBondContact NH1-O 2.04Å
26K85.6Confident77.2Confident99 Ų9988 Ų8843%0.4346%0.464SS..EExtended strand (participates in β ladder)trans-78.8150.3177.4-65.7-65.2-176.2176.50110.8V24 K30 G32 N33V24-K26 PolarHBondContact O-N 2.76Å; K26-K30 HydrophobicContact CB-CG 4.42Å; K26-G32 WeakPolarHBondContact CA-O 3.41Å; K26-G32 WeakPolarHBondContact CD-O 3.1Å; K26-N33 VanDerWaalsContact CD-OD1 3.31Å; K26-N33 WeakPolarHBondContact CD-OD1 3.39Å; K26-N33 WeakPolarHBondContact CE-OD1 3.05Å; K26-N33 PolarHBondContact NZ-OD1 3.42Å
27C85.6Confident77.7Confident2 Ų287.1 Ų87.11%0.01447%0.467CS..EExtended strand (participates in β ladder)trans-140.4180174.961.60000109.9N29 K30 A31 G32 C58C27-N29 PolarHBondContact O-N 3.34Å; C27-K30 WeakPolarHBondContact O-CA 3.31Å; C27-K30 PolarHBondContact O-N 2.89Å; C27-A31 PolarHBondContact O-N 2.93Å; C27-G32 PolarHBondContact N-O 3.44Å; C27-G32 PolarHBondContact O-N 2.86Å; C27-G32 VanDerWaalsContact O-N 3.09Å; C27-C58 HydrophobicContact CB-CB 3.79Å; C27-C58 WeakPolarHBondContact CB-SG 3.45Å; C27-C58 WeakPolarHBondContact SG-CA 3.28Å; C27-C58 WeakPolarHBondContact SG-CB 3.4Å; C27-C58 CovalentContact SG-SG 2.02Å; C27-C58 PolarHBondContact SG-SG 2.91Å
28A84.8Confident78.2Confident15 Ų1581.9 Ų81.912%0.12444%0.442CS..G310 helixtrans51.150.6178.200000113.6K30 A31 I45 T49 I60A28-K30 VanDerWaalsContact C-N 3.27Å; A28-K30 PolarHBondContact O-N 3.33Å; A28-A31 HydrophobicContact CB-CB 4.3Å; A28-A31 WeakPolarHBondContact O-CB 3.4Å; A28-A31 PolarHBondContact O-N 2.86Å; A28-I45 HydrophobicContact CB-CD1 3.59Å; A28-T49 PolarHBondContact N-OG1 2.77Å; A28-I60 HydrophobicContact CB-CG2 3.77Å
29N84.9Confident78.9Confident165 Ų16583.5 Ų83.588%0.88243%0.434SS*.G310 helixtrans53.840.5-175.3-61.3-48.8000113.9C27 A31C27-N29 PolarHBondContact O-N 3.34Å; N29-A31 PolarHBondContact O-N 2.99Å
30K84.3Confident80Confident170 Ų17089.8 Ų89.874%0.73946%0.464SS*.G310 helixtrans70.41.7-175.6-53.3171.1-178.4-79.70115.3K26 C27 A28 G32K26-K30 HydrophobicContact CB-CG 4.42Å; C27-K30 WeakPolarHBondContact O-CA 3.31Å; C27-K30 PolarHBondContact O-N 2.89Å; A28-K30 VanDerWaalsContact C-N 3.27Å; A28-K30 PolarHBondContact O-N 3.33Å; K30-G32 PolarHBondContact O-N 2.92Å
31A84.8Confident81.4Confident70 Ų7089.7 Ų89.758%0.57946%0.463SS*.THydrogen-bonded Turntrans-73.6-14.5173.200000113.2C27 A28 N29C27-A31 PolarHBondContact O-N 2.93Å; A28-A31 HydrophobicContact CB-CB 4.3Å; A28-A31 WeakPolarHBondContact O-CB 3.4Å; A28-A31 PolarHBondContact O-N 2.86Å; N29-A31 PolarHBondContact O-N 2.99Å
32G87.3Confident82.8Confident2 Ų285.6 Ų85.62%0.02144%0.44CS..EExtended strand (participates in β ladder)trans-132.6170.6-177.300000115.3K26 C27 K30 C59K26-G32 WeakPolarHBondContact CA-O 3.41Å; K26-G32 WeakPolarHBondContact CD-O 3.1Å; C27-G32 PolarHBondContact N-O 3.44Å; C27-G32 PolarHBondContact O-N 2.86Å; C27-G32 VanDerWaalsContact O-N 3.09Å; K30-G32 PolarHBondContact O-N 2.92Å; G32-C59 CarbonylContact C-O 3.49Å; G32-C59 WeakPolarHBondContact CA-O 3.33Å
33N88Confident84.3Confident32 Ų3277.8 Ų77.817%0.17141%0.412CS..EExtended strand (participates in β ladder)trans-122.7138.8177.3-62-51.3000110.7V24 K26 R35 C59V24-N33 HydrophobicContact CG1-CB 3.85Å; K26-N33 VanDerWaalsContact CD-OD1 3.31Å; K26-N33 WeakPolarHBondContact CD-OD1 3.39Å; K26-N33 WeakPolarHBondContact CE-OD1 3.05Å; K26-N33 PolarHBondContact NZ-OD1 3.42Å; N33-R35 HydrophobicContact CB-CG 4.48Å; N33-R35 PolarHBondContact O-N 2.86Å; N33-C59 PolarHBondContact N-O 2.84Å; N33-C59 PolarHBondContact O-N 2.71Å
34C87.4Confident85.5Confident12 Ų1275.2 Ų75.28%0.08140%0.397CS..EExtended strand (participates in β ladder)trans-77.2116.8173-62.90000110.8V24 R25 C52 K56 L57V24-C34 WeakPolarHBondContact CG1-O 3.1Å; R25-C34 HydrophobicContact CB-CB 4.21Å; R25-C34 WeakPolarHBondContact O-CB 3.23Å; R25-C34 PolarHBondContact O-N 3.09Å; R25-C34 PolarHBondContact O-SG 3Å; R25-C34 VanDerWaalsContact O-SG 3.33Å; C34-C52 VanDerWaalsContact CA-SG 3.52Å; C34-C52 HydrophobicContact CB-CB 3.77Å; C34-C52 WeakPolarHBondContact CB-SG 3.27Å; C34-C52 WeakPolarHBondContact SG-CA 3.42Å; C34-C52 WeakPolarHBondContact SG-CB 3.28Å; C34-C52 CovalentContact SG-SG 2.04Å; C34-C52 PolarHBondContact SG-SG 2.02Å; C34-K56 HydrophobicContact CB-CB 4.36Å; C34-L57 CarbonylContact C-O 3.52Å; C34-L57 VanDerWaalsContact CA-O 3.28Å; C34-L57 WeakPolarHBondContact CA-O 3.38Å
35R86.5Confident85.9Confident51 Ų5174.5 Ų74.519%0.19239%0.391CS..EExtended strand (participates in β ladder)trans-133.7159.4179.9-61.2-175.1176.7-74.5-3.1110.9N33 T37 E42 K56 L57N33-R35 HydrophobicContact CB-CG 4.48Å; N33-R35 PolarHBondContact O-N 2.86Å; R35-T37 VanDerWaalsContact C-N 3.28Å; R35-T37 VanDerWaalsContact CB-O 3.27Å; R35-T37 WeakPolarHBondContact CB-O 3.14Å; R35-E42 IonicContact NE-OE1 3.58Å; R35-E42 IonicContact NE-OE2 3.6Å; R35-K56 CarbonylContact O-C 3.51Å; R35-K56 WeakPolarHBondContact O-CA 3.44Å; R35-L57 PolarHBondContact N-O 3.02Å; R35-L57 PolarHBondContact O-N 3.33Å
36S85.8Confident85.2Confident71 Ų7173.1 Ų73.150%0.49739%0.394SS..SBendtrans-72.5-27.7170.8-61.10000111.6K56S36-K56 PolarHBondContact OG-NZ 2.04Å
37T86.1Confident84.1Confident109 Ų10973.3 Ų73.367%0.66941%0.405SS*.SBendtrans-147.3139.7176.5-45.40000108.3R35R35-T37 VanDerWaalsContact C-N 3.28Å; R35-T37 VanDerWaalsContact CB-O 3.27Å; R35-T37 WeakPolarHBondContact CB-O 3.14Å
38C87.3Confident83Confident28 Ų2876 Ų7619%0.18942%0.423CS..PPolyproline II helixtrans-75.8146.5175.3-580000110.7E42 C59C38-E42 HydrophobicContact CB-CB 3.94Å; C38-C59 WeakPolarHBondContact CA-SG 3.15Å; C38-C59 HydrophobicContact CB-CB 3.76Å; C38-C59 WeakPolarHBondContact CB-SG 3.4Å; C38-C59 WeakPolarHBondContact SG-CB 3.4Å; C38-C59 CovalentContact SG-SG 2.04Å; C38-C59 PolarHBondContact SG-SG 2.81Å
39R88.1Confident81.9Confident162 Ų16278.2 Ų78.261%0.61144%0.435SS*.PPolyproline II helixtrans-76.1162.8175.2-65.1178.9171.9-177.6-4110.3G41 E42R39-G41 PolarHBondContact O-N 2.84Å; R39-E42 HydrophobicContact CB-CG 4.25Å; R39-E42 PolarHBondContact N-OE2 2.97Å; R39-E42 WeakPolarHBondContact O-CB 3.07Å; R39-E42 PolarHBondContact O-N 3.28Å
40N85.4Confident80.7Confident172 Ų17274 Ų7492%0.9243%0.431SS*.THydrogen-bonded Turntrans-57.8130.9169.3-70.351.6000109.7E42N40-E42 VanDerWaalsContact C-N 3.33Å
41G84.8Confident80.1Confident53 Ų5371 Ų7155%0.54642%0.421SS..THydrogen-bonded Turntrans85.11.2-17300000114.5R39 D62R39-G41 PolarHBondContact O-N 2.84Å; G41-D62 PolarHBondContact O-N 2.92Å
42E88Confident79.8Confident37 Ų3768.6 Ų68.617%0.17340%0.399CS..EExtended strand (participates in β ladder)trans-106144.7166.3-64.2176.5159.700110.2R35 C38 R39 N40 C59 I60R35-E42 IonicContact NE-OE1 3.58Å; R35-E42 IonicContact NE-OE2 3.6Å; C38-E42 HydrophobicContact CB-CB 3.94Å; R39-E42 HydrophobicContact CB-CG 4.25Å; R39-E42 PolarHBondContact N-OE2 2.97Å; R39-E42 WeakPolarHBondContact O-CB 3.07Å; R39-E42 PolarHBondContact O-N 3.28Å; N40-E42 VanDerWaalsContact C-N 3.33Å; E42-C59 HydrophobicContact CB-CB 4.13Å; E42-C59 WeakPolarHBondContact OE2-CB 3.35Å; E42-I60 CarbonylContact C-O 3.42Å; E42-I60 WeakPolarHBondContact CA-O 3.02Å; E42-I60 WeakPolarHBondContact CB-O 3.29Å
43K87.8Confident79.5Confident47 Ų4771.9 Ų71.920%0.20442%0.422CS..EExtended strand (participates in β ladder)trans-109.9145.417064174.1162.4-136.90111.9C59 I60 D62 S66K43-C59 WeakPolarHBondContact O-CA 3.42Å; K43-I60 HydrophobicContact CD-CD1 4.18Å; K43-I60 HydrophobicContact CD-CG1 4.29Å; K43-I60 VanDerWaalsContact CE-CD1 3.43Å; K43-I60 HydrophobicContact CG-CD1 3.94Å; K43-I60 HydrophobicContact CG-CG1 3.5Å; K43-I60 PolarHBondContact N-O 3.4Å; K43-I60 PolarHBondContact O-N 2.89Å; K43-D62 VanDerWaalsContact CD-OD2 3.28Å; K43-D62 WeakPolarHBondContact CD-OD2 2.98Å; K43-D62 WeakPolarHBondContact CE-OD2 3.31Å; K43-D62 HydrophobicContact CG-CB 4.43Å; K43-D62 IonicContact NZ-OD2 2.77Å; K43-D62 PolarHBondContact NZ-OD2 2.66Å; K43-S66 PolarHBondContact NZ-OG 2.87Å
44M87.1Confident78.8Confident89 Ų8980.9 Ų80.944%0.43846%0.459SS..EExtended strand (participates in β ladder)trans-77.1131.8168.9175.6-178.9169.100109.4L57 C58M44-L57 HydrophobicContact CE-CD2 3.74Å; M44-L57 HydrophobicContact CG-CB 4.37Å; M44-L57 HydrophobicContact SD-CB 4.43Å; M44-L57 HydrophobicContact SD-CD1 4.01Å; M44-L57 HydrophobicContact SD-CD2 3.75Å; M44-L57 HydrophobicContact SD-CG 4.27Å; M44-C58 WeakPolarHBondContact CA-O 3.05Å
45I81.6Confident78.5Confident35 Ų3588.5 Ų88.518%0.17949%0.494CS..  trans-97.5138.1168.362.4164.5000111.1A28 T49 C58 I60A28-I45 HydrophobicContact CB-CD1 3.59Å; I45-T49 HydrophobicContact CD1-CG2 4.45Å; I45-C58 HydrophobicContact CD1-CB 4.19Å; I45-C58 VanDerWaalsContact CD1-SG 3.55Å; I45-C58 HydrophobicContact CG1-CB 3.7Å; I45-C58 PolarHBondContact N-O 3.12Å; I45-C58 VanDerWaalsContact N-O 3.12Å; I45-I60 HydrophobicContact CG2-CD1 3.43Å; I45-I60 VanDerWaalsContact CG2-CD1 3.43Å; I45-I60 HydrophobicContact CG2-CG1 3.82Å; I45-I60 HydrophobicContact CG2-CG2 4.43Å
46N67.6Low78.3Confident114 Ų11489.9 Ų89.961%0.6150%0.501SS*.SBendtrans-128.9129.4175-161.142000109.2
47P63Low78.4Confident104 Ų10489.2 Ų89.268%0.67549%0.492SS*.SBendcis-69.2150.20.129.7-34.7000112T49P47-T49 PolarHBondContact O-N 3Å
48P62Low78.4Confident58 Ų5884 Ų8438%0.37746%0.46SS..  trans-60.3111.5168.725-30.7000107.1G50P48-G50 VanDerWaalsContact O-CA 3.31Å; P48-G50 WeakPolarHBondContact O-CA 3.05Å; P48-G50 PolarHBondContact O-N 3.25Å
49T63.1Low78.5Confident62 Ų6282.7 Ų82.738%0.3845%0.451SS..  trans-52.5110.8168.347.60000106.2A28 I45 P47 M51A28-T49 PolarHBondContact N-OG1 2.77Å; I45-T49 HydrophobicContact CD1-CG2 4.45Å; P47-T49 PolarHBondContact O-N 3Å; T49-M51 PolarHBondContact O-N 3.33Å
50G59.4Low78.6Confident77 Ų7776.4 Ų76.479%0.79443%0.429SS*.THydrogen-bonded Turntrans-63.147.1-145.200000118.9P48P48-G50 VanDerWaalsContact O-CA 3.31Å; P48-G50 WeakPolarHBondContact O-CA 3.05Å; P48-G50 PolarHBondContact O-N 3.25Å
51M69.9Low78.6Confident107 Ų10773.7 Ų73.753%0.52741%0.414SS..THydrogen-bonded Turntrans-108-17.2179-64.9-157.5169.600112.7R25 T49R25-M51 WeakPolarHBondContact CD-O 3.05Å; R25-M51 PolarHBondContact NE-O 2.81Å; R25-M51 PolarHBondContact NH1-O 2.04Å; T49-M51 PolarHBondContact O-N 3.33Å
52C80.1Confident78.4Confident19 Ų1974.9 Ų74.913%0.12841%0.408CS..SBendtrans-80.4144175.1-56.80000110.4C34 K56C34-C52 VanDerWaalsContact CA-SG 3.52Å; C34-C52 HydrophobicContact CB-CB 3.77Å; C34-C52 WeakPolarHBondContact CB-SG 3.27Å; C34-C52 WeakPolarHBondContact SG-CA 3.42Å; C34-C52 WeakPolarHBondContact SG-CB 3.28Å; C34-C52 CovalentContact SG-SG 2.04Å; C34-C52 PolarHBondContact SG-SG 2.02Å; C52-K56 HydrophobicContact CB-CB 3.94Å; C52-K56 WeakPolarHBondContact CB-O 3.42Å
53S80.2Confident77.3Confident71 Ų7179.5 Ų79.550%0.49743%0.434SS..  trans-55.1154.7169.2-55.90000109.8E55 K56S53-E55 PolarHBondContact O-N 2.84Å; S53-K56 PolarHBondContact O-N 3.49Å
54K73.8Confident75.9Confident221 Ų22180.6 Ų80.696%0.96146%0.458SS*.THydrogen-bonded Turntrans-53.6-22.7-175.5-64.3-177.9179.7-179.80114.5
55E79.9Confident74.4Confident171 Ų17181.7 Ų81.780%0.79947%0.473SS*.THydrogen-bonded Turntrans-98.1-0.3-177.5-42.4177.6156.400113.3S53S53-E55 PolarHBondContact O-N 2.84Å
56K83.8Confident72.8Confident81 Ų8183.6 Ų83.635%0.35249%0.49SS..  trans-116.6134.4-173.2-63.2-80.2-178.3-176.60109.6C34 R35 S36 C52 S53C34-K56 HydrophobicContact CB-CB 4.36Å; R35-K56 CarbonylContact O-C 3.51Å; R35-K56 WeakPolarHBondContact O-CA 3.44Å; S36-K56 PolarHBondContact OG-NZ 2.04Å; C52-K56 HydrophobicContact CB-CB 3.94Å; C52-K56 WeakPolarHBondContact CB-O 3.42Å; S53-K56 PolarHBondContact O-N 3.49Å
57L86.3Confident72Confident56 Ų5684.2 Ų84.229%0.29350%0.498SS..EExtended strand (participates in β ladder)trans-86.7148.4174.3-48.3179.4000110.1C34 R35 M44C34-L57 CarbonylContact C-O 3.52Å; C34-L57 VanDerWaalsContact CA-O 3.28Å; C34-L57 WeakPolarHBondContact CA-O 3.38Å; R35-L57 PolarHBondContact N-O 3.02Å; R35-L57 PolarHBondContact O-N 3.33Å; M44-L57 HydrophobicContact CE-CD2 3.74Å; M44-L57 HydrophobicContact CG-CB 4.37Å; M44-L57 HydrophobicContact SD-CB 4.43Å; M44-L57 HydrophobicContact SD-CD1 4.01Å; M44-L57 HydrophobicContact SD-CD2 3.75Å; M44-L57 HydrophobicContact SD-CG 4.27Å
58C87.5Confident71.1Confident0 Ų085.4 Ų85.40%051%0.506CS..EExtended strand (participates in β ladder)trans-90.7114.9168.1179.90000109.8C27 M44 I45C27-C58 HydrophobicContact CB-CB 3.79Å; C27-C58 WeakPolarHBondContact CB-SG 3.45Å; C27-C58 WeakPolarHBondContact SG-CA 3.28Å; C27-C58 WeakPolarHBondContact SG-CB 3.4Å; C27-C58 CovalentContact SG-SG 2.02Å; C27-C58 PolarHBondContact SG-SG 2.91Å; M44-C58 WeakPolarHBondContact CA-O 3.05Å; I45-C58 HydrophobicContact CD1-CB 4.19Å; I45-C58 VanDerWaalsContact CD1-SG 3.55Å; I45-C58 HydrophobicContact CG1-CB 3.7Å; I45-C58 PolarHBondContact N-O 3.12Å; I45-C58 VanDerWaalsContact N-O 3.12Å
59C88.7Confident70.5Confident1 Ų187 Ų871%0.00752%0.518CS..EExtended strand (participates in β ladder)trans-107.7123.5-177.8-55.80000110.4G32 N33 C38 E42 K43G32-C59 CarbonylContact C-O 3.49Å; G32-C59 WeakPolarHBondContact CA-O 3.33Å; N33-C59 PolarHBondContact N-O 2.84Å; N33-C59 PolarHBondContact O-N 2.71Å; C38-C59 WeakPolarHBondContact CA-SG 3.15Å; C38-C59 HydrophobicContact CB-CB 3.76Å; C38-C59 WeakPolarHBondContact CB-SG 3.4Å; C38-C59 WeakPolarHBondContact SG-CB 3.4Å; C38-C59 CovalentContact SG-SG 2.04Å; C38-C59 PolarHBondContact SG-SG 2.81Å; E42-C59 HydrophobicContact CB-CB 4.13Å; E42-C59 WeakPolarHBondContact OE2-CB 3.35Å; K43-C59 WeakPolarHBondContact O-CA 3.42Å
60I89.9Confident69.6Low30 Ų3089.6 Ų89.615%0.15453%0.534CS..EExtended strand (participates in β ladder)trans-114.9153.5174.862.1172.5000109.3A28 E42 K43 I45A28-I60 HydrophobicContact CB-CG2 3.77Å; E42-I60 CarbonylContact C-O 3.42Å; E42-I60 WeakPolarHBondContact CA-O 3.02Å; E42-I60 WeakPolarHBondContact CB-O 3.29Å; K43-I60 HydrophobicContact CD-CD1 4.18Å; K43-I60 HydrophobicContact CD-CG1 4.29Å; K43-I60 VanDerWaalsContact CE-CD1 3.43Å; K43-I60 HydrophobicContact CG-CD1 3.94Å; K43-I60 HydrophobicContact CG-CG1 3.5Å; K43-I60 PolarHBondContact N-O 3.4Å; K43-I60 PolarHBondContact O-N 2.89Å; I45-I60 HydrophobicContact CG2-CD1 3.43Å; I45-I60 VanDerWaalsContact CG2-CD1 3.43Å; I45-I60 HydrophobicContact CG2-CG1 3.82Å; I45-I60 HydrophobicContact CG2-CG2 4.43Å
61L87.1Confident68.8Low114 Ų11494.8 Ų94.860%0.59754%0.535SS*.EExtended strand (participates in β ladder)trans-61.2139.1170.9-81.9110000110.1D63L61-D63 PolarHBondContact O-N 3.35Å
62D79.3Confident67.5Low78 Ų7896 Ų9642%0.41754%0.544SS..  trans-92.891.3170.6-164.4-111.6000108.6G41 K43 G64G41-D62 PolarHBondContact O-N 2.92Å; K43-D62 VanDerWaalsContact CD-OD2 3.28Å; K43-D62 WeakPolarHBondContact CD-OD2 2.98Å; K43-D62 WeakPolarHBondContact CE-OD2 3.31Å; K43-D62 HydrophobicContact CG-CB 4.43Å; K43-D62 IonicContact NZ-OD2 2.77Å; K43-D62 PolarHBondContact NZ-OD2 2.66Å; D62-G64 PolarHBondContact O-N 2.99Å
63D65.4Low65.6Low134 Ų13499.6 Ų99.672%0.71757%0.565SS**  trans-71.622.5179.2-65.5-70.8000113.3L61 C65L61-D63 PolarHBondContact O-N 3.35Å; D63-C65 PolarHBondContact O-N 2.95Å
64G59.1Low63.8Low70 Ų70102.2 Ų102.272%0.72258%0.58SS**SBendtrans64-5179.900000115.5D62D62-G64 PolarHBondContact O-N 2.99Å
65C54.4Low62.2Low112 Ų11297.5 Ų97.576%0.75758%0.575SS**  trans-127.965.3-176.9-165.60000110.5D63D63-C65 PolarHBondContact O-N 2.95Å
66S48.3Very low60.1Low76 Ų7692.8 Ų92.853%0.53157%0.573SS.*SBendtrans-149.9130.3154.1-30.90000110.7K43K43-S66 PolarHBondContact NZ-OG 2.87Å
67T51.2Low58Low127 Ų12792.2 Ų92.278%0.77959%0.59SS**  trans-28.6148.1173.146.80000116S69T67-S69 PolarHBondContact O-N 3.43Å
68P44.1Very low55.9Low128 Ų12896 Ų9683%0.83162%0.621SS**  trans-61111.2-175.724-32.3000110.9V70P68-V70 PolarHBondContact O-N 3.07Å
69S48.6Very low53.4Low92 Ų9299.7 Ų99.764%0.64366%0.659SS**  trans-74.5120.2163-158.70000107.3T67 K71T67-S69 PolarHBondContact O-N 3.43Å; S69-K71 PolarHBondContact O-N 3.01Å
70V45.7Very low51.1Low117 Ų117108.5 Ų108.571%0.70970%0.702SS**  trans-45.5118-176.5-1780000110.6P68 N72P68-V70 PolarHBondContact O-N 3.07Å; V70-N72 VanDerWaalsContact C-N 3.32Å; V70-N72 VanDerWaalsContact CG1-OD1 3.3Å; V70-N72 WeakPolarHBondContact CG1-OD1 3.3Å; V70-N72 PolarHBondContact O-N 3.07Å
71K41.7Very low49.2Very low185 Ų185114.9 Ų114.980%0.80474%0.735SS**  trans-67.587.1173.4-173.8-174.1-177.9-170.40109.1S69 T73S69-K71 PolarHBondContact O-N 3.01Å; K71-T73 VanDerWaalsContact C-N 3.32Å; K71-T73 PolarHBondContact O-N 3.17Å
72N42.2Very low47Very low134 Ų134115.6 Ų115.672%0.71775%0.749SS**  trans-78.889.2165.1-79.925.5000108.6V70V70-N72 VanDerWaalsContact C-N 3.32Å; V70-N72 VanDerWaalsContact CG1-OD1 3.3Å; V70-N72 WeakPolarHBondContact CG1-OD1 3.3Å; V70-N72 PolarHBondContact O-N 3.07Å
73T40.5Very low45.4Very low94 Ų94116.8 Ų116.858%0.57777%0.77SS**  trans-52.8134.9160.9-54.40000109.3K71 S75K71-T73 VanDerWaalsContact C-N 3.32Å; K71-T73 PolarHBondContact O-N 3.17Å; T73-S75 PolarHBondContact O-N 2.9Å
74P43.2Very low44.2Very low126 Ų126114.9 Ų114.982%0.81877%0.773SS**  trans-74.999.4170.829.5-28.6000108.5G76P74-G76 PolarHBondContact O-N 3.43Å
75S39.2Very low43.2Very low121 Ų121117.1 Ų117.185%0.84677%0.773SS**  trans-87.498166.9-1660000108.3T73T73-S75 PolarHBondContact O-N 2.9Å
76G36.5Very low42.6Very low73 Ų73120.8 Ų120.875%0.75378%0.778SS**  trans-72.5129167.600000110.9P74P74-G76 PolarHBondContact O-N 3.43Å
77G38.4Very low42Very low69 Ų69120.8 Ų120.871%0.71179%0.791SS**  trans87.8102.9138.700000119.6
78S43.6Very low41.4Very low136 Ų136120.6 Ų120.695%0.95180%0.795SS**  trans76.5114.9135.4-59.80000120.3
79G35.5Very low41.6Very low77 Ų77120.3 Ų120.379%0.79479%0.791SS**  trans176.467.1166.400000114.3
80M39.1Very low41.3Very low186 Ų186123.2 Ų123.292%0.91681%0.805SS**  trans23.6122.5154.6-61179.9-177.200120.9
81I49.4Very low40.6Very low163 Ų163120.9 Ų120.984%0.83680%0.804SS**  trans-29.6138.3149.344156.3000115.7
82S40.8Very low40.5Very low130 Ų130117.6 Ų117.691%0.90981%0.805SS**  trans-159.7123.3137.5-80.40000110.1
83A47Very low40.3Very low103 Ų103120.9 Ų120.985%0.85184%0.838SS**  trans-96.9146.6172.500000109.8
84A40.4Very low40.3Very low93 Ų93122.2 Ų122.277%0.76985%0.851SS**  trans143.7144163.400000107.6
85T37.3Very low40.1Very low118 Ų118122 Ų12272%0.72485%0.853SS**  cis-171.6153.2-3.4-86.40000105.1
86E42.7Very low40.2Very low188 Ų188122.1 Ų122.188%0.87985%0.853SS**  trans-3.1139.3162-55.8176.7140.100120.5
87G35.8Very low40.4Very low77 Ų77124.9 Ų124.979%0.79486%0.859SS**  trans154.2105.9151.400000118.6
88S37.1Very low40.5Very low123 Ų123128.4 Ų128.486%0.8687%0.868SS**  trans91.6122.8136.9-139.70000121.7
89T49.6Very low40.3Very low122 Ų122127.9 Ų127.975%0.74886%0.863SS**  trans-62.6148.1172.4430000114.9
90T41.1Very low40.7Very low153 Ų153131.6 Ų131.694%0.93987%0.868SS**  trans-176.4143.2134.824.30000111.1
91G32.6Very low40.8Very low67 Ų67127.4 Ų127.469%0.69186%0.864SS**  trans141.883.3171.400000111.5
92S39.3Very low40.1Very low117 Ų117124.4 Ų124.482%0.81887%0.866SS**  66.292.781.3-600000113.7
93S37.1Very low40Very low202 Ų202123.9 Ų123.9100%1.41386%0.862SS**  trans-170.70135.4-730000109.1

Retrieved 93 of 93 residues in 45.8 ms (Link to these results)