A0A096N2M7_PAPAN Loading...

Beta-defensin-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A096N2M7, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 79 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
1M61.4Low74.2Confident212 Ų212117.9 Ų117.9100%1.04462%0.616SS**  0-46.40-63.9-167.9167.600113.4L3 H4 S5M1-L3 PolarHBondContact O-N 3.07Å; M1-H4 PolarHBondContact O-N 3.43Å; M1-S5 PolarHBondContact O-N 3.44Å
2K64.6Low74.5Confident183 Ų183116.4 Ų116.480%0.79661%0.608SS**Hα-helixtrans-59.9-36.2177.2-84.1-169.4169.4173.90115.1S5 L6K2-S5 WeakPolarHBondContact O-CB 3.39Å; K2-S5 PolarHBondContact O-N 3.36Å; K2-L6 WeakPolarHBondContact O-CG 3.26Å; K2-L6 PolarHBondContact O-N 3.36Å
3L69.8Low74.2Confident121 Ų121118.2 Ų118.263%0.63461%0.609SS**Hα-helixtrans-64.7-44.7-179.1-168.771.3000112.6M1 S5 L6 I7M1-L3 PolarHBondContact O-N 3.07Å; L3-S5 VanDerWaalsContact C-N 3.29Å; L3-S5 PolarHBondContact O-N 3.47Å; L3-L6 PolarHBondContact O-N 3.41Å; L3-I7 HydrophobicContact CD2-CD1 4.48Å; L3-I7 HydrophobicContact CG-CD1 3.96Å; L3-I7 WeakPolarHBondContact O-CD1 3.49Å; L3-I7 VanDerWaalsContact O-CG1 3.29Å; L3-I7 WeakPolarHBondContact O-CG1 3.29Å; L3-I7 PolarHBondContact O-N 2.95Å
4H72.2Confident73.9Confident141 Ų141116.6 Ų116.665%0.65361%0.607SS**Hα-helixtrans-64.1-36.5177-67.5-73.6000112.1M1 I7 S8M1-H4 PolarHBondContact O-N 3.43Å; H4-I7 PolarHBondContact O-N 3.33Å; H4-S8 WeakPolarHBondContact O-CB 3.38Å; H4-S8 PolarHBondContact O-N 2.94Å
5S75.2Confident73.8Confident75 Ų75116.1 Ų116.152%0.52461%0.611SS.*Hα-helixtrans-64.3-42.5174.7-167.90000111.7M1 K2 L3 S8 V9M1-S5 PolarHBondContact O-N 3.44Å; K2-S5 WeakPolarHBondContact O-CB 3.39Å; K2-S5 PolarHBondContact O-N 3.36Å; L3-S5 VanDerWaalsContact C-N 3.29Å; L3-S5 PolarHBondContact O-N 3.47Å; S5-S8 PolarHBondContact O-N 3.02Å; S5-V9 VanDerWaalsContact O-CG2 3.26Å; S5-V9 WeakPolarHBondContact O-CG2 3.48Å; S5-V9 PolarHBondContact O-N 3.28Å; S5-V9 VanDerWaalsContact O-N 3.07Å
6L76.9Confident73.5Confident119 Ų119117 Ų11762%0.62362%0.615SS**Hα-helixtrans-65.4-41.3177.2-72.3166.9000111.8K2 L3 V9 L10K2-L6 WeakPolarHBondContact O-CG 3.26Å; K2-L6 PolarHBondContact O-N 3.36Å; L3-L6 PolarHBondContact O-N 3.41Å; L6-V9 PolarHBondContact O-N 3.47Å; L6-L10 WeakPolarHBondContact O-CB 3.2Å; L6-L10 PolarHBondContact O-N 2.96Å
7I79.4Confident73.2Confident80 Ų80117.3 Ų117.341%0.4162%0.616SS.*Hα-helixtrans-63.7-43.8176.7-69.2160.9000110.8L3 H4 V9 L10 L11L3-I7 HydrophobicContact CD2-CD1 4.48Å; L3-I7 HydrophobicContact CG-CD1 3.96Å; L3-I7 WeakPolarHBondContact O-CD1 3.49Å; L3-I7 VanDerWaalsContact O-CG1 3.29Å; L3-I7 WeakPolarHBondContact O-CG1 3.29Å; L3-I7 PolarHBondContact O-N 2.95Å; H4-I7 PolarHBondContact O-N 3.33Å; I7-V9 VanDerWaalsContact C-N 3.35Å; I7-V9 PolarHBondContact O-N 3.43Å; I7-L10 PolarHBondContact O-N 3.22Å; I7-L11 HydrophobicContact CG2-CD1 3.95Å; I7-L11 HydrophobicContact CG2-CG 4.45Å; I7-L11 VanDerWaalsContact O-CG 3.3Å; I7-L11 WeakPolarHBondContact O-CG 3.43Å; I7-L11 PolarHBondContact O-N 3.28Å
8S79.7Confident72.7Confident69 Ų69116.8 Ų116.848%0.48362%0.621SS.*Hα-helixtrans-64.1-40179.2-173.60000112.2H4 S5 L11 L12H4-S8 WeakPolarHBondContact O-CB 3.38Å; H4-S8 PolarHBondContact O-N 2.94Å; S5-S8 PolarHBondContact O-N 3.02Å; S8-L11 PolarHBondContact O-N 3.41Å; S8-L12 PolarHBondContact O-N 3.14Å; S8-L12 VanDerWaalsContact O-N 3.15Å
9V79.6Confident72.2Confident68 Ų68121.7 Ų121.741%0.41264%0.636SS.*Hα-helixtrans-65.1-44.2174.4172.50000110.9S5 L6 I7 L11 L12 F13S5-V9 VanDerWaalsContact O-CG2 3.26Å; S5-V9 WeakPolarHBondContact O-CG2 3.48Å; S5-V9 PolarHBondContact O-N 3.28Å; S5-V9 VanDerWaalsContact O-N 3.07Å; L6-V9 PolarHBondContact O-N 3.47Å; I7-V9 VanDerWaalsContact C-N 3.35Å; I7-V9 PolarHBondContact O-N 3.43Å; V9-L11 VanDerWaalsContact C-N 3.33Å; V9-L11 PolarHBondContact O-N 3.15Å; V9-L12 WeakPolarHBondContact O-CB 3.3Å; V9-L12 PolarHBondContact O-N 3.47Å; V9-F13 HydrophobicContact CG1-CD2 3.83Å; V9-F13 HydrophobicContact CG1-CE2 3.59Å; V9-F13 WeakPolarHBondContact O-CD2 3.42Å; V9-F13 PolarHBondContact O-N 2.98Å; V9-F13 VanDerWaalsContact O-N 3.14Å
10L79.7Confident71.3Confident120 Ų120118.7 Ų118.763%0.62864%0.636SS**Hα-helixtrans-60-43178.1-164.179.1000112L6 I7 F13 V14L6-L10 WeakPolarHBondContact O-CB 3.2Å; L6-L10 PolarHBondContact O-N 2.96Å; I7-L10 PolarHBondContact O-N 3.22Å; L10-F13 PolarHBondContact O-N 3.22Å; L10-V14 WeakPolarHBondContact O-CG2 3.44Å; L10-V14 PolarHBondContact O-N 3.42Å; L10-V14 VanDerWaalsContact O-N 3.17Å
11L77.7Confident70.7Confident109 Ų109122.8 Ų122.857%0.57165%0.648SS**Hα-helixtrans-64.8-39.4178.7-71169.9000112.2I7 S8 V9 F13 V14 T15I7-L11 HydrophobicContact CG2-CD1 3.95Å; I7-L11 HydrophobicContact CG2-CG 4.45Å; I7-L11 VanDerWaalsContact O-CG 3.3Å; I7-L11 WeakPolarHBondContact O-CG 3.43Å; I7-L11 PolarHBondContact O-N 3.28Å; S8-L11 PolarHBondContact O-N 3.41Å; V9-L11 VanDerWaalsContact C-N 3.33Å; V9-L11 PolarHBondContact O-N 3.15Å; L11-F13 VanDerWaalsContact C-N 3.35Å; L11-F13 PolarHBondContact O-N 3.5Å; L11-V14 PolarHBondContact O-N 3.24Å; L11-T15 PolarHBondContact O-N 3.3Å
12L77.5Confident70.3Confident100 Ų100119.3 Ų119.352%0.52464%0.639SS.*Hα-helixtrans-59.8-44173.6-91.1156.9000111.7S8 V9 V14 T15 L16S8-L12 PolarHBondContact O-N 3.14Å; S8-L12 VanDerWaalsContact O-N 3.15Å; V9-L12 WeakPolarHBondContact O-CB 3.3Å; V9-L12 PolarHBondContact O-N 3.47Å; L12-V14 VanDerWaalsContact C-N 3.34Å; L12-V14 PolarHBondContact O-N 3.23Å; L12-T15 PolarHBondContact O-N 3.48Å; L12-T15 PolarHBondContact O-OG1 3.17Å; L12-L16 WeakPolarHBondContact O-CD1 3.45Å; L12-L16 PolarHBondContact O-N 3.48Å
13F71Confident69.8Low139 Ų139113.5 Ų113.561%0.6163%0.631SS**Hα-helixtrans-62.3-38.8177.3-83.9-73.3000113V9 L10 L11 T15 L16 I17V9-F13 HydrophobicContact CG1-CD2 3.83Å; V9-F13 HydrophobicContact CG1-CE2 3.59Å; V9-F13 WeakPolarHBondContact O-CD2 3.42Å; V9-F13 PolarHBondContact O-N 2.98Å; V9-F13 VanDerWaalsContact O-N 3.14Å; L10-F13 PolarHBondContact O-N 3.22Å; L11-F13 VanDerWaalsContact C-N 3.35Å; L11-F13 PolarHBondContact O-N 3.5Å; F13-T15 VanDerWaalsContact C-N 3.3Å; F13-T15 PolarHBondContact O-N 3.42Å; F13-L16 PolarHBondContact O-N 3.28Å; F13-I17 WeakPolarHBondContact O-CG1 3.41Å; F13-I17 PolarHBondContact O-N 2.76Å
14V69.6Low69.4Low96 Ų96111.6 Ų111.658%0.58262%0.624SS**Hα-helixtrans-63.6-36.8177.4175.40000111.6L10 L11 L12 L16 I17L10-V14 WeakPolarHBondContact O-CG2 3.44Å; L10-V14 PolarHBondContact O-N 3.42Å; L10-V14 VanDerWaalsContact O-N 3.17Å; L11-V14 PolarHBondContact O-N 3.24Å; L12-V14 VanDerWaalsContact C-N 3.34Å; L12-V14 PolarHBondContact O-N 3.23Å; V14-L16 VanDerWaalsContact C-N 3.33Å; V14-L16 PolarHBondContact O-N 3.29Å; V14-I17 PolarHBondContact O-N 3.25Å
15T72.2Confident69.1Low109 Ų109108.2 Ų108.267%0.66961%0.611SS**Hα-helixtrans-73.8-22.317860.90000114.1L11 L12 F13L11-T15 PolarHBondContact O-N 3.3Å; L12-T15 PolarHBondContact O-N 3.48Å; L12-T15 PolarHBondContact O-OG1 3.17Å; F13-T15 VanDerWaalsContact C-N 3.3Å; F13-T15 PolarHBondContact O-N 3.42Å
16L69.8Low69.1Low131 Ų131109.8 Ų109.869%0.68662%0.619SS**THydrogen-bonded Turntrans-84.1-7.9177.6-101.997000113.7L12 F13 V14 P18L12-L16 WeakPolarHBondContact O-CD1 3.45Å; L12-L16 PolarHBondContact O-N 3.48Å; F13-L16 PolarHBondContact O-N 3.28Å; V14-L16 VanDerWaalsContact C-N 3.33Å; V14-L16 PolarHBondContact O-N 3.29Å; L16-P18 WeakPolarHBondContact O-CD 3.13Å; L16-P18 VanDerWaalsContact O-N 3.16Å
17I68.2Low69.4Low122 Ų122105.1 Ų105.163%0.62660%0.599SS**SBendtrans-70.7112176.8-54.1-176.2000107.6F13 V14 K19F13-I17 WeakPolarHBondContact O-CG1 3.41Å; F13-I17 PolarHBondContact O-N 2.76Å; V14-I17 PolarHBondContact O-N 3.25Å; I17-K19 PolarHBondContact O-N 3.48Å
18P65Low69.8Low108 Ų108105 Ų10570%0.70160%0.597SS**  trans-59.1134175.624.2-31000108.1L16 G20L16-P18 WeakPolarHBondContact O-CD 3.13Å; L16-P18 VanDerWaalsContact O-N 3.16Å; P18-G20 VanDerWaalsContact C-N 3.31Å; P18-G20 PolarHBondContact O-N 3.09Å
19K62.2Low70.2Confident211 Ų211108.4 Ų108.492%0.91760%0.603SS**  trans-50.4101.6170-108.5172.5174.61600107.1I17 K21I17-K19 PolarHBondContact O-N 3.48Å; K19-K21 PolarHBondContact O-N 2.74Å; K19-K21 VanDerWaalsContact O-N 3.09Å
20G53.9Low70.6Confident61 Ų61111.6 Ų111.663%0.62961%0.613SS**  trans-53123.817800000106.7P18 T22P18-G20 VanDerWaalsContact C-N 3.31Å; P18-G20 PolarHBondContact O-N 3.09Å; G20-T22 PolarHBondContact O-N 2.77Å
21K59.6Low71.1Confident204 Ų204106 Ų10689%0.88758%0.584SS**  trans-57.7100.1168-68.5179.6178.4179.30104.5K19 G23K19-K21 PolarHBondContact O-N 2.74Å; K19-K21 VanDerWaalsContact O-N 3.09Å; K21-G23 PolarHBondContact O-N 2.81Å
22T52.3Low71.7Confident139 Ų139105.6 Ų105.685%0.85358%0.582SS**  trans-52.6107.5-179.638.10000106G20 V24G20-T22 PolarHBondContact O-N 2.77Å; T22-V24 PolarHBondContact O-N 3.03Å
23G55Low72.3Confident62 Ų62106 Ų10664%0.63959%0.588SS**  trans-51.4137.9-174.200000108.7K21 I25K21-G23 PolarHBondContact O-N 2.81Å; G23-I25 PolarHBondContact O-N 3.41Å
24V61.2Low73.1Confident80 Ų80103 Ų10349%0.48558%0.578SS.*  trans-37.3116.9174.9-176.30000109T22 Q28 K29T22-V24 PolarHBondContact O-N 3.03Å; V24-Q28 HydrophobicContact CG1-CB 3.85Å; V24-Q28 HydrophobicContact CG1-CG 3.78Å; V24-K29 HydrophobicContact CB-CB 4.5Å; V24-K29 HydrophobicContact CG1-CB 3.78Å
25I66.3Low74Confident71 Ų71106.6 Ų106.636%0.36459%0.586SS.*  trans-52.1136.7-178.1-59.1172.8000107.5G23 G27 Q28 K29 C53 N54G23-I25 PolarHBondContact O-N 3.41Å; I25-G27 PolarHBondContact O-N 3.04Å; I25-Q28 HydrophobicContact CB-CB 4.26Å; I25-Q28 WeakPolarHBondContact O-CA 3.27Å; I25-Q28 WeakPolarHBondContact O-CB 3.34Å; I25-Q28 PolarHBondContact O-N 3.06Å; I25-K29 PolarHBondContact O-N 2.79Å; I25-C53 VanDerWaalsContact CG2-O 3.27Å; I25-C53 WeakPolarHBondContact CG2-O 3.4Å; I25-N54 HydrophobicContact CD1-CB 3.99Å; I25-N54 HydrophobicContact CG2-CB 4.34Å
26P75.4Confident74.9Confident108 Ų108101.7 Ų101.770%0.70156%0.557SS**Hα-helixtrans-48.1-41.2-174.9-29.633.9000113.6K29 Q30P26-K29 PolarHBondContact O-N 3.32Å; P26-Q30 PolarHBondContact O-N 3.06Å; P26-Q30 VanDerWaalsContact O-N 3.13Å
27G82.1Confident76Confident20 Ų20100 Ų10021%0.20655%0.552CS.*Hα-helixtrans-65.8-36.5175.400000114.1I25 C31I25-G27 PolarHBondContact O-N 3.04Å; G27-C31 VanDerWaalsContact O-CB 3.27Å; G27-C31 WeakPolarHBondContact O-CB 2.73Å; G27-C31 PolarHBondContact O-N 2.02Å
28Q88.7Confident77.2Confident78 Ų7895.8 Ų95.836%0.36453%0.533SS..Hα-helixtrans-66.8-41.8175.3-178.6178.7-4.600111.7V24 I25 C31 I32V24-Q28 HydrophobicContact CG1-CB 3.85Å; V24-Q28 HydrophobicContact CG1-CG 3.78Å; I25-Q28 HydrophobicContact CB-CB 4.26Å; I25-Q28 WeakPolarHBondContact O-CA 3.27Å; I25-Q28 WeakPolarHBondContact O-CB 3.34Å; I25-Q28 PolarHBondContact O-N 3.06Å; Q28-C31 WeakPolarHBondContact O-CB 3.35Å; Q28-C31 PolarHBondContact O-N 2.72Å; Q28-I32 HydrophobicContact CG-CD1 4.04Å; Q28-I32 VanDerWaalsContact O-CG1 3.29Å; Q28-I32 WeakPolarHBondContact O-CG1 3.01Å; Q28-I32 PolarHBondContact O-N 3.14Å
29K87.3Confident78.6Confident140 Ų14095.6 Ų95.661%0.60952%0.518SS*.Hα-helixtrans-63.3-44.9178.3-171.5174.7179.9176.40110.8V24 I25 P26 C31 I32 V33V24-K29 HydrophobicContact CB-CB 4.5Å; V24-K29 HydrophobicContact CG1-CB 3.78Å; I25-K29 PolarHBondContact O-N 2.79Å; P26-K29 PolarHBondContact O-N 3.32Å; K29-C31 VanDerWaalsContact C-N 3.35Å; K29-I32 PolarHBondContact O-N 3.48Å; K29-V33 WeakPolarHBondContact O-CG2 2.98Å; K29-V33 PolarHBondContact O-N 3.35Å; K29-V33 VanDerWaalsContact O-N 3.14Å
30Q87.6Confident79.9Confident135 Ų13590.2 Ų90.263%0.63150%0.5SS*.Hα-helixtrans-64.3-40.1177.1-170.6154.1-27.400112P26 I32 V33 L34P26-Q30 PolarHBondContact O-N 3.06Å; P26-Q30 VanDerWaalsContact O-N 3.13Å; Q30-I32 VanDerWaalsContact C-N 3.35Å; Q30-I32 PolarHBondContact O-N 3.3Å; Q30-V33 PolarHBondContact O-N 3.43Å; Q30-L34 HydrophobicContact CG-CD1 4.37Å; Q30-L34 WeakPolarHBondContact O-CG 3.29Å; Q30-L34 PolarHBondContact O-N 3.32Å; Q30-L34 VanDerWaalsContact O-N 3.13Å
31C91.3Very high81.3Confident3 Ų397.4 Ų97.42%0.0251%0.514CS..Hα-helixtrans-57.5-46.5175-170.70000112.3G27 Q28 K29 V33 L34 K35 G36 C53 C59G27-C31 VanDerWaalsContact O-CB 3.27Å; G27-C31 WeakPolarHBondContact O-CB 2.73Å; G27-C31 PolarHBondContact O-N 2.02Å; Q28-C31 WeakPolarHBondContact O-CB 3.35Å; Q28-C31 PolarHBondContact O-N 2.72Å; K29-C31 VanDerWaalsContact C-N 3.35Å; C31-V33 PolarHBondContact O-N 3.05Å; C31-L34 CarbonylContact O-C 3.57Å; C31-L34 PolarHBondContact O-N 2.92Å; C31-K35 PolarHBondContact O-N 3.13Å; C31-G36 WeakPolarHBondContact O-CA 3.5Å; C31-G36 PolarHBondContact O-N 3Å; C31-C53 VanDerWaalsContact SG-SG 3.67Å; C31-C59 WeakPolarHBondContact CA-SG 3.35Å; C31-C59 HydrophobicContact CB-CB 3.76Å; C31-C59 WeakPolarHBondContact CB-SG 3.46Å; C31-C59 VanDerWaalsContact SG-CA 3.54Å; C31-C59 WeakPolarHBondContact SG-CB 3.42Å; C31-C59 CovalentContact SG-SG 2.02Å; C31-C59 PolarHBondContact SG-SG 3.05Å
32I89.8Confident82.6Confident100 Ų10088.9 Ų88.951%0.51348%0.483SS..Hα-helixtrans-63.7-41.7179.5-67.5164.2000111.5Q28 K29 Q30 L34 K35Q28-I32 HydrophobicContact CG-CD1 4.04Å; Q28-I32 VanDerWaalsContact O-CG1 3.29Å; Q28-I32 WeakPolarHBondContact O-CG1 3.01Å; Q28-I32 PolarHBondContact O-N 3.14Å; K29-I32 PolarHBondContact O-N 3.48Å; Q30-I32 VanDerWaalsContact C-N 3.35Å; Q30-I32 PolarHBondContact O-N 3.3Å; I32-L34 PolarHBondContact O-N 2.99Å; I32-K35 PolarHBondContact O-N 3.34Å
33V89.6Confident84.5Confident108 Ų10883.9 Ų83.966%0.65545%0.454SS*.Hα-helixtrans-60.2-37.3177170.70000111.1K29 Q30 C31 K35K29-V33 WeakPolarHBondContact O-CG2 2.98Å; K29-V33 PolarHBondContact O-N 3.35Å; K29-V33 VanDerWaalsContact O-N 3.14Å; Q30-V33 PolarHBondContact O-N 3.43Å; C31-V33 PolarHBondContact O-N 3.05Å; V33-K35 PolarHBondContact O-N 3.39Å
34L87.6Confident86.2Confident76 Ų7683.3 Ų83.340%0.39844%0.44SS..THydrogen-bonded Turntrans-79.511176.3-64.3173.5000113.8Q30 C31 I32 G36 I50 R61Q30-L34 HydrophobicContact CG-CD1 4.37Å; Q30-L34 WeakPolarHBondContact O-CG 3.29Å; Q30-L34 PolarHBondContact O-N 3.32Å; Q30-L34 VanDerWaalsContact O-N 3.13Å; C31-L34 CarbonylContact O-C 3.57Å; C31-L34 PolarHBondContact O-N 2.92Å; I32-L34 PolarHBondContact O-N 2.99Å; L34-G36 PolarHBondContact O-N 2.03Å; L34-I50 HydrophobicContact CB-CD1 3.73Å; L34-I50 HydrophobicContact CD1-CD1 4.09Å; L34-R61 WeakPolarHBondContact O-CD 3.32Å
35K88.9Confident87.6Confident172 Ų17285.8 Ų85.875%0.74846%0.455SS*.THydrogen-bonded Turntrans57.927.5-175.1-57.6-69-173.1173.80113.1C31 I32 V33C31-K35 PolarHBondContact O-N 3.13Å; I32-K35 PolarHBondContact O-N 3.34Å; V33-K35 PolarHBondContact O-N 3.39Å
36G91.8Very high88.8Confident7 Ų785.9 Ų85.97%0.07246%0.456CS..  trans-93.8168.2174.400000113C31 L34 C60C31-G36 WeakPolarHBondContact O-CA 3.5Å; C31-G36 PolarHBondContact O-N 3Å; L34-G36 PolarHBondContact O-N 2.03Å; G36-C60 CarbonylContact C-O 3.45Å; G36-C60 WeakPolarHBondContact CA-O 3.25Å
37V92.9Very high89.6Confident95 Ų9581.5 Ų81.558%0.57643%0.427SS*.EExtended strand (participates in β ladder)trans-126.6135.4177.3-176.20000109.1C60V37-C60 PolarHBondContact N-O 2.84Å; V37-C60 PolarHBondContact O-N 3.39Å
38C92.9Very high90Very high34 Ų3483.7 Ų83.723%0.2343%0.434CS..EExtended strand (participates in β ladder)trans-79.8128.8176.4-590000111.3C53 K57 K58C38-C53 VanDerWaalsContact CA-SG 3.54Å; C38-C53 HydrophobicContact CB-CB 3.7Å; C38-C53 WeakPolarHBondContact CB-SG 3.29Å; C38-C53 WeakPolarHBondContact SG-CB 3.4Å; C38-C53 CovalentContact SG-SG 2.02Å; C38-C53 PolarHBondContact SG-SG 2.86Å; C38-K57 HydrophobicContact CB-CB 4.39Å; C38-K57 HydrophobicContact CB-CD 4.47Å; C38-K58 CarbonylContact C-O 3.51Å; C38-K58 VanDerWaalsContact CA-O 3.29Å; C38-K58 WeakPolarHBondContact CA-O 2.95Å
39R93.8Very high90.2Very high103 Ų10384.2 Ų84.239%0.38944%0.443SS..EExtended strand (participates in β ladder)trans-128.2141.2177-67.2-173.8-177.5-121.812.9111.8G42 D47 K57 K58R39-G42 WeakPolarHBondContact CB-O 3.23Å; R39-G42 WeakPolarHBondContact CD-O 3.27Å; R39-D47 IonicContact CZ-OD2 3.54Å; R39-D47 IonicContact NE-OD2 3.51Å; R39-D47 IonicContact NH2-OD2 3Å; R39-D47 PolarHBondContact NH2-OD2 2.85Å; R39-K57 CarbonylContact O-C 3.53Å; R39-K57 VanDerWaalsContact O-CA 3.26Å; R39-K57 WeakPolarHBondContact O-CA 3.45Å; R39-K58 PolarHBondContact N-O 2.76Å; R39-K58 PolarHBondContact O-N 3.25Å
40D90.4Very high90.5Very high98 Ų9880.7 Ų80.752%0.52443%0.43SS..THydrogen-bonded Turntrans-72.8-27.2-175.5-59.5-82.3000115.3K57D40-K57 WeakPolarHBondContact OD1-CE 3.49Å; D40-K57 WeakPolarHBondContact OD1-CG 3.03Å; D40-K57 IonicContact OD1-NZ 3.81Å
41K82Confident90.6Very high213 Ų21375.6 Ų75.693%0.92641%0.413SS*.THydrogen-bonded Turntrans-114.914.5-170.9-62-172.3-179.2-177.20114
42G86.9Confident90.6Very high24 Ų2478.8 Ų78.825%0.24743%0.433CS..  trans94.1-176.9-170.600000113.4R39R39-G42 WeakPolarHBondContact CB-O 3.23Å; R39-G42 WeakPolarHBondContact CD-O 3.27Å
43C92.1Very high90.6Very high34 Ų3474.2 Ų74.223%0.2341%0.41CS..  trans-90.9152.8-173.7-55.20000112.1D47 T49 C60C43-D47 HydrophobicContact CB-CB 3.95Å; C43-T49 PolarHBondContact SG-OG1 2.85Å; C43-C60 WeakPolarHBondContact CA-SG 3.34Å; C43-C60 HydrophobicContact CB-CB 3.69Å; C43-C60 WeakPolarHBondContact CB-SG 3.44Å; C43-C60 WeakPolarHBondContact SG-CA 2.96Å; C43-C60 WeakPolarHBondContact SG-CB 3.28Å; C43-C60 CovalentContact SG-SG 2.03Å; C43-C60 PolarHBondContact SG-SG 3.36Å
44S92.3Very high90.6Very high51 Ų5171.2 Ų71.236%0.35739%0.39SS..  trans-68.2165.8174.7-166.60000110.7L46 D47S44-L46 PolarHBondContact O-N 2.02Å; S44-L46 VanDerWaalsContact O-N 3.16Å; S44-D47 WeakPolarHBondContact CB-OD2 3.48Å; S44-D47 PolarHBondContact O-N 2.83Å
45T90.6Very high90.5Very high131 Ų13177 Ų7780%0.80442%0.415SS*.THydrogen-bonded Turntrans-61-23.3176.149.70000113.5
46L90.8Very high90.5Very high74 Ų7475.8 Ų75.839%0.38741%0.412SS..THydrogen-bonded Turntrans-96.83.3177.1-57.1-179.1000113.3S44 W63 L66S44-L46 PolarHBondContact O-N 2.02Å; S44-L46 VanDerWaalsContact O-N 3.16Å; L46-W63 PolarHBondContact O-N 2.96Å; L46-L66 HydrophobicContact CB-CD1 3.76Å; L46-L66 HydrophobicContact CD1-CD1 4.15Å; L46-L66 HydrophobicContact CD2-CD1 4.08Å; L46-L66 HydrophobicContact CG-CD1 4.21Å
47D92.8Very high90.5Very high16 Ų1678.9 Ų78.99%0.08642%0.424CS..EExtended strand (participates in β ladder)trans-118.4132.1-177.8-62-29.7000109.6R39 C43 S44 C60 R61 R62R39-D47 IonicContact CZ-OD2 3.54Å; R39-D47 IonicContact NE-OD2 3.51Å; R39-D47 IonicContact NH2-OD2 3Å; R39-D47 PolarHBondContact NH2-OD2 2.85Å; C43-D47 HydrophobicContact CB-CB 3.95Å; S44-D47 WeakPolarHBondContact CB-OD2 3.48Å; S44-D47 PolarHBondContact O-N 2.83Å; D47-C60 HydrophobicContact CB-CB 4.16Å; D47-R61 CarbonylContact C-O 3.43Å; D47-R61 VanDerWaalsContact CA-O 3.28Å; D47-R61 WeakPolarHBondContact CA-O 3.41Å; D47-R62 WeakPolarHBondContact OD1-CD 3.46Å; D47-R62 IonicContact OD1-NH1 3.8Å
48D90.6Very high90.6Very high65 Ų6578.2 Ų78.235%0.34841%0.413SS..EExtended strand (participates in β ladder)trans-79.1141.4169.7-76-43.5000111.2I50 C60 R61 W63D48-I50 HydrophobicContact CB-CG2 4.25Å; D48-I50 PolarHBondContact O-N 3.35Å; D48-C60 CarbonylContact O-C 3.56Å; D48-C60 VanDerWaalsContact O-CA 3.32Å; D48-C60 WeakPolarHBondContact O-CA 3.22Å; D48-R61 PolarHBondContact N-O 2.78Å; D48-R61 PolarHBondContact O-N 3.16Å; D48-W63 VanDerWaalsContact OD1-CD1 3.26Å; D48-W63 PolarHBondContact OD1-NE1 2.98Å; D48-W63 PolarHBondContact OD2-NE1 3.45Å
49T93.1Very high90.6Very high89 Ų8976.8 Ų76.855%0.54640%0.403SS..EExtended strand (participates in β ladder)trans-82.9107.4167.6-55.40000109.1C43 K58C43-T49 PolarHBondContact SG-OG1 2.85Å; T49-K58 HydrophobicContact CG2-CB 4.39Å
50I92.2Very high90.6Very high66 Ų6672 Ų7234%0.33839%0.386SS..EExtended strand (participates in β ladder)trans-100.5-10.2-17859.4163.2000113.1L34 D48 C59 R61L34-I50 HydrophobicContact CB-CD1 3.73Å; L34-I50 HydrophobicContact CD1-CD1 4.09Å; D48-I50 HydrophobicContact CB-CG2 4.25Å; D48-I50 PolarHBondContact O-N 3.35Å; I50-C59 VanDerWaalsContact CD1-SG 3.51Å; I50-C59 HydrophobicContact CG1-CB 4.12Å; I50-C59 WeakPolarHBondContact CG1-O 2.94Å; I50-C59 WeakPolarHBondContact CG1-SG 3.32Å; I50-C59 PolarHBondContact N-O 2.96Å; I50-R61 HydrophobicContact CD1-CB 3.86Å; I50-R61 HydrophobicContact CG1-CB 4.22Å; I50-R61 HydrophobicContact CG2-CB 4.01Å
51G90.5Very high90.7Very high28 Ų2872.4 Ų72.429%0.28938%0.38SS..EExtended strand (participates in β ladder)trans173.4-161.4179.300000113.8C59G51-C59 PolarHBondContact N-O 3.46Å; G51-C59 PolarHBondContact O-N 2.89Å
52T91.2Very high91.2Very high70 Ų7067.9 Ų67.943%0.42936%0.357SS..EExtended strand (participates in β ladder)trans-129.6131.2-177.9-55.50000109.1N54 K57 K58T52-N54 WeakPolarHBondContact CG2-O 3.26Å; T52-K57 WeakPolarHBondContact CG2-O 3.17Å; T52-K58 HydrophobicContact CG2-CD 4.32Å; T52-K58 PolarHBondContact OG1-NZ 3.3Å
53C90.4Very high91.2Very high5 Ų571.8 Ų71.83%0.03436%0.364CS..SBendtrans-87.5-39.3-179.4-65.40000112.4I25 C31 C38 K57I25-C53 VanDerWaalsContact CG2-O 3.27Å; I25-C53 WeakPolarHBondContact CG2-O 3.4Å; C31-C53 VanDerWaalsContact SG-SG 3.67Å; C38-C53 VanDerWaalsContact CA-SG 3.54Å; C38-C53 HydrophobicContact CB-CB 3.7Å; C38-C53 WeakPolarHBondContact CB-SG 3.29Å; C38-C53 WeakPolarHBondContact SG-CB 3.4Å; C38-C53 CovalentContact SG-SG 2.02Å; C38-C53 PolarHBondContact SG-SG 2.86Å; C53-K57 HydrophobicContact CB-CB 3.97Å; C53-K57 PolarHBondContact N-O 2.98Å
54N87.8Confident90.7Very high45 Ų4577.9 Ų77.924%0.24138%0.383CS..SBendtrans-157.3-176.417067.914.4000108.3I25 T52 E56 K57I25-N54 HydrophobicContact CD1-CB 3.99Å; I25-N54 HydrophobicContact CG2-CB 4.34Å; T52-N54 WeakPolarHBondContact CG2-O 3.26Å; N54-E56 PolarHBondContact O-N 3.23Å; N54-E56 PolarHBondContact OD1-N 3.42Å; N54-K57 PolarHBondContact N-O 3.15Å; N54-K57 PolarHBondContact O-N 3.2Å; N54-K57 VanDerWaalsContact OD1-CB 3.25Å; N54-K57 WeakPolarHBondContact OD1-CB 3.39Å; N54-K57 WeakPolarHBondContact OD1-CG 3.03Å; N54-K57 PolarHBondContact OD1-N 3.13Å
55E86.9Confident90.1Very high198 Ų19880.3 Ų80.393%0.92539%0.39SS*.SBendtrans-54.8-29.7-176.3-64.2-176.9176.600113.9
56E89.1Confident89.7Confident146 Ų14678.3 Ų78.368%0.68238%0.375SS*.SBendtrans-99.2-32.4-176.8-60.4176.7168.200112.9N54N54-E56 PolarHBondContact O-N 3.23Å; N54-E56 PolarHBondContact OD1-N 3.42Å
57K91.6Very high89Confident72 Ų7281.6 Ų81.631%0.31339%0.388SS..PPolyproline II helixtrans-103.3130.2-170.1-67.1174.7174.4173.30112.1C38 R39 D40 T52 C53 N54C38-K57 HydrophobicContact CB-CB 4.39Å; C38-K57 HydrophobicContact CB-CD 4.47Å; R39-K57 CarbonylContact O-C 3.53Å; R39-K57 VanDerWaalsContact O-CA 3.26Å; R39-K57 WeakPolarHBondContact O-CA 3.45Å; D40-K57 WeakPolarHBondContact OD1-CE 3.49Å; D40-K57 WeakPolarHBondContact OD1-CG 3.03Å; D40-K57 IonicContact OD1-NZ 3.81Å; T52-K57 WeakPolarHBondContact CG2-O 3.17Å; C53-K57 HydrophobicContact CB-CB 3.97Å; C53-K57 PolarHBondContact N-O 2.98Å; N54-K57 PolarHBondContact N-O 3.15Å; N54-K57 PolarHBondContact O-N 3.2Å; N54-K57 VanDerWaalsContact OD1-CB 3.25Å; N54-K57 WeakPolarHBondContact OD1-CB 3.39Å; N54-K57 WeakPolarHBondContact OD1-CG 3.03Å; N54-K57 PolarHBondContact OD1-N 3.13Å
58K93.7Very high87.7Confident80 Ų8085 Ų8535%0.34841%0.411SS..EExtended strand (participates in β ladder)trans-92.6148.7171.8-61.1-64176.1-1770111.4C38 R39 T49 T52C38-K58 CarbonylContact C-O 3.51Å; C38-K58 VanDerWaalsContact CA-O 3.29Å; C38-K58 WeakPolarHBondContact CA-O 2.95Å; R39-K58 PolarHBondContact N-O 2.76Å; R39-K58 PolarHBondContact O-N 3.25Å; T49-K58 HydrophobicContact CG2-CB 4.39Å; T52-K58 HydrophobicContact CG2-CD 4.32Å; T52-K58 PolarHBondContact OG1-NZ 3.3Å
59C94.1Very high86.5Confident4 Ų489.2 Ų89.23%0.02742%0.423CS..EExtended strand (participates in β ladder)trans-90.7118.3172.8-1780000109.6C31 I50 G51C31-C59 WeakPolarHBondContact CA-SG 3.35Å; C31-C59 HydrophobicContact CB-CB 3.76Å; C31-C59 WeakPolarHBondContact CB-SG 3.46Å; C31-C59 VanDerWaalsContact SG-CA 3.54Å; C31-C59 WeakPolarHBondContact SG-CB 3.42Å; C31-C59 CovalentContact SG-SG 2.02Å; C31-C59 PolarHBondContact SG-SG 3.05Å; I50-C59 VanDerWaalsContact CD1-SG 3.51Å; I50-C59 HydrophobicContact CG1-CB 4.12Å; I50-C59 WeakPolarHBondContact CG1-O 2.94Å; I50-C59 WeakPolarHBondContact CG1-SG 3.32Å; I50-C59 PolarHBondContact N-O 2.96Å; G51-C59 PolarHBondContact N-O 3.46Å; G51-C59 PolarHBondContact O-N 2.89Å
60C94.5Very high85.3Confident3 Ų390.8 Ų90.82%0.0244%0.435CS..EExtended strand (participates in β ladder)trans-115.5135.8-173.7-56.40000110.6G36 V37 C43 D47 D48G36-C60 CarbonylContact C-O 3.45Å; G36-C60 WeakPolarHBondContact CA-O 3.25Å; V37-C60 PolarHBondContact N-O 2.84Å; V37-C60 PolarHBondContact O-N 3.39Å; C43-C60 WeakPolarHBondContact CA-SG 3.34Å; C43-C60 HydrophobicContact CB-CB 3.69Å; C43-C60 WeakPolarHBondContact CB-SG 3.44Å; C43-C60 WeakPolarHBondContact SG-CA 2.96Å; C43-C60 WeakPolarHBondContact SG-CB 3.28Å; C43-C60 CovalentContact SG-SG 2.03Å; C43-C60 PolarHBondContact SG-SG 3.36Å; D47-C60 HydrophobicContact CB-CB 4.16Å; D48-C60 CarbonylContact O-C 3.56Å; D48-C60 VanDerWaalsContact O-CA 3.32Å; D48-C60 WeakPolarHBondContact O-CA 3.22Å
61R92.2Very high84.3Confident106 Ų10692 Ų9240%0.445%0.446SS..EExtended strand (participates in β ladder)trans-127.2135.4175.9-176.7179.8174.5178.8-3.7109.5L34 D47 D48 I50 W63L34-R61 WeakPolarHBondContact O-CD 3.32Å; D47-R61 CarbonylContact C-O 3.43Å; D47-R61 VanDerWaalsContact CA-O 3.28Å; D47-R61 WeakPolarHBondContact CA-O 3.41Å; D48-R61 PolarHBondContact N-O 2.78Å; D48-R61 PolarHBondContact O-N 3.16Å; I50-R61 HydrophobicContact CD1-CB 3.86Å; I50-R61 HydrophobicContact CG1-CB 4.22Å; I50-R61 HydrophobicContact CG2-CB 4.01Å; R61-W63 PolarHBondContact O-N 3.11Å
62R91Very high83.2Confident118 Ų11896.2 Ų96.245%0.44547%0.467SS..EExtended strand (participates in β ladder)trans-54.1138175.2-156.173.6165-172.90.2109.9D47 W64 L66D47-R62 WeakPolarHBondContact OD1-CD 3.46Å; D47-R62 IonicContact OD1-NH1 3.8Å; R62-W64 PolarHBondContact O-N 3.18Å; R62-L66 HydrophobicContact CG-CB 4.42Å
63W88.3Confident82.4Confident106 Ų10698.8 Ų98.840%0.40248%0.483SS..  trans-50.2131.3174.5-94.817.1000111.4L46 D48 R61 I65 L66 E67L46-W63 PolarHBondContact O-N 2.96Å; D48-W63 VanDerWaalsContact OD1-CD1 3.26Å; D48-W63 PolarHBondContact OD1-NE1 2.98Å; D48-W63 PolarHBondContact OD2-NE1 3.45Å; R61-W63 PolarHBondContact O-N 3.11Å; W63-I65 HydrophobicContact CE3-CD1 4.26Å; W63-I65 HydrophobicContact CZ3-CD1 4.48Å; W63-I65 PolarHBondContact O-N 2.7Å; W63-I65 VanDerWaalsContact O-N 3.11Å; W63-L66 HydrophobicContact CB-CD1 4.23Å; W63-L66 HydrophobicContact CB-CG 4.19Å; W63-L66 PolarHBondContact O-N 3.32Å; W63-E67 PolarHBondContact O-N 2.73Å
64W80.6Confident81.6Confident162 Ų162104.2 Ų104.261%0.61452%0.518SS*.THydrogen-bonded Turntrans-61-22.1178.867.5-88.7000112.5R62 L66 E67 P68R62-W64 PolarHBondContact O-N 3.18Å; W64-L66 VanDerWaalsContact C-N 3.34Å; W64-E67 CarbonylContact O-C 3.19Å; W64-P68 WeakPolarHBondContact O-CA 3.1Å
65I81.1Confident80.7Confident102 Ų102111.9 Ų111.952%0.52355%0.549SS..THydrogen-bonded Turntrans-68.4-35.3174.9-60.7170.7000111.1W63W63-I65 HydrophobicContact CE3-CD1 4.26Å; W63-I65 HydrophobicContact CZ3-CD1 4.48Å; W63-I65 PolarHBondContact O-N 2.7Å; W63-I65 VanDerWaalsContact O-N 3.11Å
66L81.4Confident79.8Confident90 Ų90105.5 Ų105.547%0.47154%0.536SS..THydrogen-bonded Turntrans-82.3-26.7179.3-59.8176.4000112.1L46 R62 W63 W64L46-L66 HydrophobicContact CB-CD1 3.76Å; L46-L66 HydrophobicContact CD1-CD1 4.15Å; L46-L66 HydrophobicContact CD2-CD1 4.08Å; L46-L66 HydrophobicContact CG-CD1 4.21Å; R62-L66 HydrophobicContact CG-CB 4.42Å; W63-L66 HydrophobicContact CB-CD1 4.23Å; W63-L66 HydrophobicContact CB-CG 4.19Å; W63-L66 PolarHBondContact O-N 3.32Å; W64-L66 VanDerWaalsContact C-N 3.34Å
67E74.9Confident78.5Confident142 Ų142108.4 Ų108.466%0.66455%0.547SS*.SBendtrans-134.370.1178.7-160.4141.8-125.300110W63 W64 Y69W63-E67 PolarHBondContact O-N 2.73Å; W64-E67 CarbonylContact O-C 3.19Å; E67-Y69 PolarHBondContact O-N 2.8Å
68P66.8Low77.3Confident88 Ų88110.1 Ų110.157%0.57157%0.568SS**  trans-63.1131.7-178.823.7-31.4000109.3W64W64-P68 WeakPolarHBondContact O-CA 3.1Å
69Y65.4Low76Confident154 Ų154115.5 Ų115.560%0.60461%0.611SS**  trans-64.9143167.373.7-85.1000107.9E67 T71E67-Y69 PolarHBondContact O-N 2.8Å; Y69-T71 VanDerWaalsContact C-N 3.34Å; Y69-T71 HydrophobicContact CD2-CG2 4.46Å; Y69-T71 HydrophobicContact CE1-CG2 4.47Å; Y69-T71 HydrophobicContact CE2-CG2 3.58Å; Y69-T71 PolarHBondContact O-N 3.36Å; Y69-T71 WeakPolarHBondContact OH-CG2 3.41Å
70P68.1Low75.1Confident121 Ų121121.1 Ų121.179%0.78664%0.64SS**  trans-62.4100.8174.724.1-31.1000108
71T69.8Low74.1Confident93 Ų93127.3 Ų127.357%0.57167%0.672SS**PPolyproline II helixtrans-60.9125.1165.419.60000106.3Y69 V73Y69-T71 VanDerWaalsContact C-N 3.34Å; Y69-T71 HydrophobicContact CD2-CG2 4.46Å; Y69-T71 HydrophobicContact CE1-CG2 4.47Å; Y69-T71 HydrophobicContact CE2-CG2 3.58Å; Y69-T71 PolarHBondContact O-N 3.36Å; Y69-T71 WeakPolarHBondContact OH-CG2 3.41Å; T71-V73 PolarHBondContact O-N 3.12Å; T71-V73 VanDerWaalsContact O-N 3.12Å
72P68.8Low73.1Confident115 Ų115128.4 Ų128.475%0.74769%0.688SS**PPolyproline II helixtrans-54.5126.8177.6-12.518.8000108.2P74P72-P74 VanDerWaalsContact O-N 3.16Å
73V73.8Confident72Confident125 Ų125129.1 Ų129.176%0.75870%0.702SS**PPolyproline II helixtrans-53.5126.5174.5-1760000106.5T71 K75T71-V73 PolarHBondContact O-N 3.12Å; T71-V73 VanDerWaalsContact O-N 3.12Å; V73-K75 PolarHBondContact O-N 2.89Å
74P73.2Confident71Confident118 Ų118130.5 Ų130.577%0.76672%0.721SS**  trans-52.4114.7174.7-23.132.4000107P72 G76P72-P74 VanDerWaalsContact O-N 3.16Å; P74-G76 PolarHBondContact O-N 2.77Å
75K68.7Low70.4Confident207 Ų207128.4 Ų128.490%0.973%0.728SS**  trans-66.592.8168-67.3-165.1-178.6-169.90104.3V73 K77V73-K75 PolarHBondContact O-N 2.89Å; K75-K77 PolarHBondContact O-N 2.83Å
76G69.8Low69.6Low63 Ų63130.3 Ų130.365%0.64974%0.742SS**  trans-48128.5169.900000106.3P74 S78P74-G76 PolarHBondContact O-N 2.77Å; G76-S78 VanDerWaalsContact C-N 3.33Å; G76-S78 PolarHBondContact O-N 3.18Å
77K61.2Low68.7Low208 Ų208133.4 Ų133.490%0.90476%0.763SS**  trans-49.6110.8165.8-97.8176.9173.8179.40104.9K75K75-K77 PolarHBondContact O-N 2.83Å
78S65.2Low68.2Low108 Ų108132.7 Ų132.776%0.75577%0.772SS**  trans-51.1134.2172.9-170.70000106.7G76G76-S78 VanDerWaalsContact C-N 3.33Å; G76-S78 PolarHBondContact O-N 3.18Å
79P67.6Low68.3Low192 Ų192136.7 Ų136.7100%1.24779%0.79SS**  trans-56.80179.324.3-33000111.8

Retrieved 79 of 79 residues in 322.4 ms (Link to these results)