G4VR89_SCHMA Loading...

Putative calmodulin-4 (Calcium-binding protein Dd112)

AlphaFold DB , UniProt , Accession G4VR89, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 74 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
1M37Very low71Confident227 Ų227108.5 Ų108.5100%1.11855%0.553SS**  0102.30-79-67.4-159.700107.7V3M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 HydrophobicContact CB-CG2 4.34Å; M1-V3 PolarHBondContact O-N 3.29Å
2N53.2Low72.2Confident168 Ų168105.3 Ų105.390%0.89855%0.546SS*.  trans-90.177.1173.6-157.268.7000107.4P4N2-P4 WeakPolarHBondContact O-CD 3.43Å
3V57.5Low73Confident96 Ų96102.1 Ų102.158%0.58253%0.529SS*.  trans-71.4120.4176.3-1790000106.7M1 I5M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 HydrophobicContact CB-CG2 4.34Å; M1-V3 PolarHBondContact O-N 3.29Å; V3-I5 PolarHBondContact O-N 3.34Å
4P64.6Low73.9Confident105 Ų10594.9 Ų94.968%0.68249%0.492SS*.  trans-63.7111.817524.7-30.1000108.1N2 T6N2-P4 WeakPolarHBondContact O-CD 3.43Å; P4-T6 PolarHBondContact O-N 3.08Å
5I69.3Low74.7Confident50 Ų5093.6 Ų93.626%0.25649%0.486SS..  trans-64.9121.8176.5-57.8176.7000107.2V3 E9 V10 L70V3-I5 PolarHBondContact O-N 3.34Å; I5-E9 HydrophobicContact CG2-CB 3.72Å; I5-V10 HydrophobicContact CB-CG2 4.49Å; I5-V10 HydrophobicContact CG2-CG2 3.57Å; I5-L70 HydrophobicContact CD1-CB 4.16Å; I5-L70 HydrophobicContact CD1-CD1 4.32Å; I5-L70 HydrophobicContact CD1-CD2 4.02Å; I5-L70 HydrophobicContact CD1-CG 4.4Å
6T81.9Confident75.4Confident64 Ų6493.9 Ų93.939%0.39348%0.484SS..  trans-76.1156.1178.359.70000110.6P4 E8 E9 V10P4-T6 PolarHBondContact O-N 3.08Å; T6-E8 PolarHBondContact O-N 2.98Å; T6-E8 VanDerWaalsContact O-N 3.15Å; T6-E9 PolarHBondContact N-OE2 2.9Å; T6-E9 PolarHBondContact O-N 3.32Å; T6-E9 VanDerWaalsContact O-N 3.08Å; T6-E9 WeakPolarHBondContact OG1-CG 3.28Å; T6-E9 PolarHBondContact OG1-N 2.89Å; T6-E9 PolarHBondContact OG1-OE2 3.23Å; T6-V10 WeakPolarHBondContact O-CG2 3.44Å; T6-V10 PolarHBondContact O-N 3.15Å
7R80.6Confident75.9Confident190 Ų19089.2 Ų89.272%0.71746%0.46SS*.Hα-helixtrans-56.8-32.1176.8-65-171.5177.9-161.3-0.7112.3V10 T11 T67R7-V10 PolarHBondContact O-N 2.95Å; R7-T11 WeakPolarHBondContact O-CB 3.38Å; R7-T11 PolarHBondContact O-N 3.2Å; R7-T11 PolarHBondContact O-OG1 3.4Å; R7-T67 HydrophobicContact CG-CG2 3.86Å
8E84.7Confident76.5Confident162 Ų16284.3 Ų84.376%0.75744%0.435SS*.Hα-helixtrans-66.2-44.8177.3-65.6166.2175.700111.1T6 T11 C12T6-E8 PolarHBondContact O-N 2.98Å; T6-E8 VanDerWaalsContact O-N 3.15Å; E8-T11 PolarHBondContact O-N 3.46Å; E8-C12 WeakPolarHBondContact O-CB 3.25Å; E8-C12 PolarHBondContact O-N 2.89Å
9E84.2Confident76.6Confident87 Ų8786.2 Ų86.241%0.40744%0.439SS..Hα-helixtrans-64.3-42.9173.4-72.8171.9113.400111.9I5 T6 T11 C12 I13I5-E9 HydrophobicContact CG2-CB 3.72Å; T6-E9 PolarHBondContact N-OE2 2.9Å; T6-E9 PolarHBondContact O-N 3.32Å; T6-E9 VanDerWaalsContact O-N 3.08Å; T6-E9 WeakPolarHBondContact OG1-CG 3.28Å; T6-E9 PolarHBondContact OG1-N 2.89Å; T6-E9 PolarHBondContact OG1-OE2 3.23Å; E9-T11 VanDerWaalsContact C-N 3.28Å; E9-T11 PolarHBondContact O-N 2.71Å; E9-C12 WeakPolarHBondContact O-CB 3.47Å; E9-C12 PolarHBondContact O-N 2.76Å; E9-I13 VanDerWaalsContact O-CG1 3.31Å; E9-I13 WeakPolarHBondContact O-CG1 3.33Å; E9-I13 PolarHBondContact O-N 3.34Å
10V83.4Confident77Confident0 Ų086.1 Ų86.10%044%0.44CS..Hα-helixtrans-57.6-45.9174.5178.50000110.4I5 T6 R7 C12 I13 F14 L66 L70I5-V10 HydrophobicContact CB-CG2 4.49Å; I5-V10 HydrophobicContact CG2-CG2 3.57Å; T6-V10 WeakPolarHBondContact O-CG2 3.44Å; T6-V10 PolarHBondContact O-N 3.15Å; R7-V10 PolarHBondContact O-N 2.95Å; V10-C12 VanDerWaalsContact C-N 3.33Å; V10-C12 PolarHBondContact O-N 2.77Å; V10-I13 PolarHBondContact O-N 3.03Å; V10-F14 WeakPolarHBondContact O-CB 3.32Å; V10-F14 PolarHBondContact O-N 2.9Å; V10-L66 HydrophobicContact CG1-CB 4.04Å; V10-L66 HydrophobicContact CG1-CD2 3.78Å; V10-L66 HydrophobicContact CG1-CG 3.78Å; V10-L70 HydrophobicContact CB-CD1 4.45Å; V10-L70 HydrophobicContact CG1-CD1 4.17Å; V10-L70 HydrophobicContact CG2-CB 4.11Å; V10-L70 HydrophobicContact CG2-CD1 3.81Å
11T84.7Confident77.1Confident44 Ų4488.2 Ų88.227%0.2745%0.448SS..Hα-helixtrans-63.4-39.9179-56.20000111.5R7 E8 E9 F14 N15 L63R7-T11 WeakPolarHBondContact O-CB 3.38Å; R7-T11 PolarHBondContact O-N 3.2Å; R7-T11 PolarHBondContact O-OG1 3.4Å; E8-T11 PolarHBondContact O-N 3.46Å; E9-T11 VanDerWaalsContact C-N 3.28Å; E9-T11 PolarHBondContact O-N 2.71Å; T11-F14 WeakPolarHBondContact O-CB 3.31Å; T11-F14 PolarHBondContact O-N 3.3Å; T11-N15 WeakPolarHBondContact O-CB 3.5Å; T11-N15 VanDerWaalsContact O-CG 3.23Å; T11-N15 PolarHBondContact O-N 3.44Å; T11-N15 PolarHBondContact O-ND2 2.91Å; T11-L63 HydrophobicContact CG2-CD1 3.79Å
12C85.5Confident79.4Confident70 Ų7080.7 Ų80.747%0.47341%0.412SS..Hα-helixtrans-63.3-47.8176.2-172.10000111.4E8 E9 V10 F14 N15 Q16E8-C12 WeakPolarHBondContact O-CB 3.25Å; E8-C12 PolarHBondContact O-N 2.89Å; E9-C12 WeakPolarHBondContact O-CB 3.47Å; E9-C12 PolarHBondContact O-N 2.76Å; V10-C12 VanDerWaalsContact C-N 3.33Å; V10-C12 PolarHBondContact O-N 2.77Å; C12-F14 VanDerWaalsContact C-N 3.33Å; C12-F14 PolarHBondContact O-N 2.65Å; C12-N15 PolarHBondContact O-N 3.43Å; C12-Q16 WeakPolarHBondContact O-CG 3.43Å; C12-Q16 PolarHBondContact O-N 3.46Å
13I82.4Confident80.9Confident64 Ų6474.2 Ų74.233%0.32839%0.385SS..Hα-helixtrans-62.9-43.5176.4-65166.7000110.2E9 V10 N15 Q16 I17E9-I13 VanDerWaalsContact O-CG1 3.31Å; E9-I13 WeakPolarHBondContact O-CG1 3.33Å; E9-I13 PolarHBondContact O-N 3.34Å; V10-I13 PolarHBondContact O-N 3.03Å; I13-N15 PolarHBondContact O-N 3.04Å; I13-Q16 WeakPolarHBondContact O-CB 3.48Å; I13-Q16 PolarHBondContact O-N 3.07Å; I13-Q16 VanDerWaalsContact O-N 3.12Å; I13-I17 HydrophobicContact CG2-CD1 3.8Å; I13-I17 WeakPolarHBondContact O-CG1 3.18Å; I13-I17 PolarHBondContact O-N 3.45Å; I13-I17 VanDerWaalsContact O-N 3.13Å
14F85.3Confident82.2Confident2 Ų273.2 Ų73.21%0.00937%0.373CS..Hα-helixtrans-55.9-52.9177.5-170.6-85.3000110.8V10 T11 C12 Q16 I17 D18 G23 V25 I61 L63 L66V10-F14 WeakPolarHBondContact O-CB 3.32Å; V10-F14 PolarHBondContact O-N 2.9Å; T11-F14 WeakPolarHBondContact O-CB 3.31Å; T11-F14 PolarHBondContact O-N 3.3Å; C12-F14 VanDerWaalsContact C-N 3.33Å; C12-F14 PolarHBondContact O-N 2.65Å; F14-Q16 PolarHBondContact O-N 3.38Å; F14-I17 PolarHBondContact O-N 3.22Å; F14-D18 HydrophobicContact CD1-CB 4.04Å; F14-D18 HydrophobicContact CE1-CB 3.8Å; F14-D18 VanDerWaalsContact O-CB 3.31Å; F14-D18 WeakPolarHBondContact O-CB 3.37Å; F14-D18 PolarHBondContact O-N 2.91Å; F14-G23 WeakPolarHBondContact CZ-O 3.27Å; F14-V25 HydrophobicContact CD2-CG2 3.87Å; F14-V25 HydrophobicContact CE1-CG2 4.26Å; F14-V25 HydrophobicContact CE2-CB 4.19Å; F14-V25 HydrophobicContact CE2-CG2 3.55Å; F14-V25 HydrophobicContact CG-CG2 4.36Å; F14-V25 HydrophobicContact CZ-CB 4.46Å; F14-V25 HydrophobicContact CZ-CG2 3.75Å; F14-I61 VanDerWaalsContact CE2-O 3.22Å; F14-I61 WeakPolarHBondContact CE2-O 3.49Å; F14-L63 HydrophobicContact CD1-CB 4.49Å; F14-L63 HydrophobicContact CD2-CB 4.18Å; F14-L63 HydrophobicContact CE2-CB 4.2Å; F14-L63 HydrophobicContact CG-CB 4.33Å; F14-L63 HydrophobicContact CZ-CB 4.38Å; F14-L66 HydrophobicContact CB-CD2 4.08Å; F14-L66 HydrophobicContact CD2-CB 4.31Å; F14-L66 HydrophobicContact CD2-CD2 3.73Å; F14-L66 HydrophobicContact CG-CD2 4.43Å
15N86.6Confident83.3Confident75 Ų7568.4 Ų68.440%0.40134%0.342SS..Hα-helixtrans-64.8-23.4178.6-71.3-20.8000113.4T11 C12 I13T11-N15 WeakPolarHBondContact O-CB 3.5Å; T11-N15 VanDerWaalsContact O-CG 3.23Å; T11-N15 PolarHBondContact O-N 3.44Å; T11-N15 PolarHBondContact O-ND2 2.91Å; C12-N15 PolarHBondContact O-N 3.43Å; I13-N15 PolarHBondContact O-N 3.04Å
16Q84.8Confident84Confident98 Ų9867 Ų6746%0.45834%0.336SS..Hα-helixtrans-74.1-33.2172.9-75.9-175.7-0.800112.4C12 I13 F14 K19 Y33C12-Q16 WeakPolarHBondContact O-CG 3.43Å; C12-Q16 PolarHBondContact O-N 3.46Å; I13-Q16 WeakPolarHBondContact O-CB 3.48Å; I13-Q16 PolarHBondContact O-N 3.07Å; I13-Q16 VanDerWaalsContact O-N 3.12Å; F14-Q16 PolarHBondContact O-N 3.38Å; Q16-K19 PolarHBondContact O-NZ 3.48Å; Q16-Y33 HydrophobicContact CB-CE2 4.36Å
17I84.3Confident83.9Confident14 Ų1466.5 Ų66.57%0.07233%0.33CS..Hα-helixtrans-85.5-47.6-179.2-58164.3000110.6I13 F14 K19 V25 L30 Y33I13-I17 HydrophobicContact CG2-CD1 3.8Å; I13-I17 WeakPolarHBondContact O-CG1 3.18Å; I13-I17 PolarHBondContact O-N 3.45Å; I13-I17 VanDerWaalsContact O-N 3.13Å; F14-I17 PolarHBondContact O-N 3.22Å; I17-K19 PolarHBondContact O-N 3.32Å; I17-K19 VanDerWaalsContact O-N 3.08Å; I17-V25 HydrophobicContact CB-CG1 4.49Å; I17-V25 HydrophobicContact CB-CG2 4.07Å; I17-V25 HydrophobicContact CG2-CB 4.42Å; I17-V25 HydrophobicContact CG2-CG1 3.53Å; I17-V25 HydrophobicContact CG2-CG2 3.94Å; I17-L30 HydrophobicContact CD1-CD1 4.17Å; I17-L30 HydrophobicContact CG2-CB 4.49Å; I17-L30 HydrophobicContact CG2-CD1 4.03Å; I17-Y33 HydrophobicContact CG1-CD1 4.08Å; I17-Y33 HydrophobicContact CG1-CD2 3.9Å; I17-Y33 HydrophobicContact CG1-CE1 4.31Å; I17-Y33 HydrophobicContact CG1-CE2 4.14Å; I17-Y33 HydrophobicContact CG1-CG 3.87Å; I17-Y33 HydrophobicContact CG2-CG 4.46Å
18D86.7Confident84Confident2 Ų266.5 Ų66.51%0.01133%0.331CS..  trans-64.1102.2174.7-179.50.5000109.3F14 N20 H21 N22 G23 V25F14-D18 HydrophobicContact CD1-CB 4.04Å; F14-D18 HydrophobicContact CE1-CB 3.8Å; F14-D18 VanDerWaalsContact O-CB 3.31Å; F14-D18 WeakPolarHBondContact O-CB 3.37Å; F14-D18 PolarHBondContact O-N 2.91Å; D18-N20 PolarHBondContact OD1-N 2.86Å; D18-N20 PolarHBondContact OD1-OD1 2.74Å; D18-H21 PolarHBondContact O-CE1 2.9Å; D18-H21 PolarHBondContact O-ND1 3.4Å; D18-H21 WeakPolarHBondContact OD1-CA 3.47Å; D18-H21 PolarHBondContact OD1-N 3.41Å; D18-H21 VanDerWaalsContact OD2-CA 3.28Å; D18-H21 WeakPolarHBondContact OD2-CA 3.43Å; D18-N22 PolarHBondContact OD1-N 3.47Å; D18-N22 PolarHBondContact OD2-N 2.96Å; D18-G23 PolarHBondContact OD2-N 3.12Å; D18-V25 HydrophobicContact CB-CG2 4.06Å
19K79.6Confident84Confident119 Ų11959.5 Ų59.552%0.51730%0.298SS..SBendtrans-88.2-28.2-176.5-72.1-65.8173.3-133.80112.5Q16 I17 H21 E29Q16-K19 PolarHBondContact O-NZ 3.48Å; I17-K19 PolarHBondContact O-N 3.32Å; I17-K19 VanDerWaalsContact O-N 3.08Å; K19-H21 VanDerWaalsContact C-N 3.34Å; K19-E29 PolarHBondContact N-OE1 2.9Å
20N83.8Confident83.7Confident84 Ų8455.8 Ų55.845%0.44928%0.281SS..SBendtrans-89.4-8179.966.814.4000111.7D18 N22 E29D18-N20 PolarHBondContact OD1-N 2.86Å; D18-N20 PolarHBondContact OD1-OD1 2.74Å; N20-N22 PolarHBondContact ND2-ND2 3.39Å; N20-N22 PolarHBondContact O-N 3.37Å; N20-N22 VanDerWaalsContact OD1-CB 3.23Å; N20-N22 WeakPolarHBondContact OD1-CB 3.39Å; N20-N22 PolarHBondContact OD1-N 2.94Å; N20-N22 PolarHBondContact OD1-OD1 2.84Å; N20-E29 VanDerWaalsContact CG-OE1 3.28Å; N20-E29 PolarHBondContact ND2-OE1 2.73Å; N20-E29 PolarHBondContact OD1-OE1 3.41Å
21H78.3Confident83.6Confident132 Ų13256.2 Ų56.261%0.61128%0.283SS*.  trans54.735.2-177.4-62.4-57.8000112.4D18 K19 G23D18-H21 PolarHBondContact O-CE1 2.9Å; D18-H21 PolarHBondContact O-ND1 3.4Å; D18-H21 WeakPolarHBondContact OD1-CA 3.47Å; D18-H21 PolarHBondContact OD1-N 3.41Å; D18-H21 VanDerWaalsContact OD2-CA 3.28Å; D18-H21 WeakPolarHBondContact OD2-CA 3.43Å; K19-H21 VanDerWaalsContact C-N 3.34Å; H21-G23 VanDerWaalsContact C-N 3.28Å
22N85.5Confident83.4Confident68 Ų6856.8 Ų56.836%0.36429%0.289SS..SBendtrans-81.9-8.317772.8-11.4000112.4D18 N20 F24D18-N22 PolarHBondContact OD1-N 3.47Å; D18-N22 PolarHBondContact OD2-N 2.96Å; N20-N22 PolarHBondContact ND2-ND2 3.39Å; N20-N22 PolarHBondContact O-N 3.37Å; N20-N22 VanDerWaalsContact OD1-CB 3.23Å; N20-N22 WeakPolarHBondContact OD1-CB 3.39Å; N20-N22 PolarHBondContact OD1-N 2.94Å; N20-N22 PolarHBondContact OD1-OD1 2.84Å; N22-F24 VanDerWaalsContact O-CD2 3.29Å; N22-F24 WeakPolarHBondContact O-CD2 3.41Å; N22-F24 WeakPolarHBondContact OD1-CA 3.37Å; N22-F24 PolarHBondContact OD1-N 3.06Å; N22-F24 PolarHBondContact OD1-O 3.23Å
23G84.7Confident83.1Confident32 Ų3255.6 Ų55.633%0.3328%0.275SS..SBendtrans87.19.9-176.300000114.3F14 D18 H21F14-G23 WeakPolarHBondContact CZ-O 3.27Å; D18-G23 PolarHBondContact OD2-N 3.12Å; H21-G23 VanDerWaalsContact C-N 3.28Å
24F86.5Confident82.8Confident76 Ų7654.6 Ų54.633%0.33327%0.268SS..EExtended strand (participates in β ladder)trans-139124.8-178.1-58.1-88.5000111.8N22 T26 Q60 I61N22-F24 VanDerWaalsContact O-CD2 3.29Å; N22-F24 WeakPolarHBondContact O-CD2 3.41Å; N22-F24 WeakPolarHBondContact OD1-CA 3.37Å; N22-F24 PolarHBondContact OD1-N 3.06Å; N22-F24 PolarHBondContact OD1-O 3.23Å; F24-T26 PolarHBondContact O-N 2.78Å; F24-Q60 HydrophobicContact CB-CB 3.97Å; F24-Q60 HydrophobicContact CD1-CB 4.48Å; F24-I61 CarbonylContact C-O 3.6Å
25V86.1Confident82.5Confident4 Ų461.6 Ų61.62%0.02430%0.295CS..EExtended strand (participates in β ladder)trans-89110.9175.7169.40000109.9F14 I17 D18 L30 Q60 I61F14-V25 HydrophobicContact CD2-CG2 3.87Å; F14-V25 HydrophobicContact CE1-CG2 4.26Å; F14-V25 HydrophobicContact CE2-CB 4.19Å; F14-V25 HydrophobicContact CE2-CG2 3.55Å; F14-V25 HydrophobicContact CG-CG2 4.36Å; F14-V25 HydrophobicContact CZ-CB 4.46Å; F14-V25 HydrophobicContact CZ-CG2 3.75Å; I17-V25 HydrophobicContact CB-CG1 4.49Å; I17-V25 HydrophobicContact CB-CG2 4.07Å; I17-V25 HydrophobicContact CG2-CB 4.42Å; I17-V25 HydrophobicContact CG2-CG1 3.53Å; I17-V25 HydrophobicContact CG2-CG2 3.94Å; D18-V25 HydrophobicContact CB-CG2 4.06Å; V25-L30 HydrophobicContact CG1-CB 3.98Å; V25-L30 HydrophobicContact CG1-CD1 4.49Å; V25-Q60 CarbonylContact O-C 3.53Å; V25-Q60 WeakPolarHBondContact O-CA 3.44Å; V25-I61 HydrophobicContact CB-CB 4.33Å; V25-I61 PolarHBondContact N-O 2.89Å; V25-I61 PolarHBondContact O-N 3.45Å
26T83.7Confident82.1Confident20 Ų2065 Ų6512%0.12331%0.306CS..EExtended strand (participates in β ladder)trans-83.7161176.664.90000112.6F24 R28 E29 L30 Q60F24-T26 PolarHBondContact O-N 2.78Å; T26-R28 PolarHBondContact O-N 3.03Å; T26-R28 VanDerWaalsContact O-N 3.11Å; T26-E29 WeakPolarHBondContact CB-OE2 3.28Å; T26-E29 WeakPolarHBondContact CG2-OE2 3.28Å; T26-E29 PolarHBondContact N-OE2 2.88Å; T26-E29 PolarHBondContact O-N 3.48Å; T26-E29 PolarHBondContact OG1-N 3.49Å; T26-E29 PolarHBondContact OG1-OE2 3.01Å; T26-L30 PolarHBondContact O-N 3.42Å; T26-Q60 HydrophobicContact CG2-CB 4.43Å; T26-Q60 HydrophobicContact CG2-CG 3.93Å
27N80.5Confident81.6Confident53 Ų5365.3 Ų65.328%0.28331%0.307SS..Hα-helixtrans-51.5-36.6171.1-178.4-74.8000113.4S31 I50N27-S31 WeakPolarHBondContact O-CB 3.36Å; N27-S31 PolarHBondContact O-N 3.13Å; N27-S31 PolarHBondContact O-OG 3.29Å; N27-S31 PolarHBondContact OD1-OG 2.91Å; N27-I50 HydrophobicContact CB-CD1 3.5Å; N27-I50 VanDerWaalsContact CB-CD1 3.5Å
28R82.3Confident80.8Confident191 Ų19172.8 Ų72.872%0.72134%0.342SS*.Hα-helixtrans-67.4-42.8180-172.4174.464.2-171.4-0.2111.5T26 S32T26-R28 PolarHBondContact O-N 3.03Å; T26-R28 VanDerWaalsContact O-N 3.11Å; R28-S32 VanDerWaalsContact O-CB 3.3Å; R28-S32 WeakPolarHBondContact O-CB 3.29Å; R28-S32 PolarHBondContact O-N 3.27Å
29E84.3Confident79.9Confident15 Ų1574.3 Ų74.37%0.0735%0.354CS..Hα-helixtrans-70.2-45.7179.2-75.5161.3139.600111.8K19 N20 T26 S31 S32 Y33K19-E29 PolarHBondContact N-OE1 2.9Å; N20-E29 VanDerWaalsContact CG-OE1 3.28Å; N20-E29 PolarHBondContact ND2-OE1 2.73Å; N20-E29 PolarHBondContact OD1-OE1 3.41Å; T26-E29 WeakPolarHBondContact CB-OE2 3.28Å; T26-E29 WeakPolarHBondContact CG2-OE2 3.28Å; T26-E29 PolarHBondContact N-OE2 2.88Å; T26-E29 PolarHBondContact O-N 3.48Å; T26-E29 PolarHBondContact OG1-N 3.49Å; T26-E29 PolarHBondContact OG1-OE2 3.01Å; E29-S31 VanDerWaalsContact C-N 3.32Å; E29-S31 PolarHBondContact O-N 2.78Å; E29-S32 CarbonylContact O-C 3.57Å; E29-S32 WeakPolarHBondContact O-CA 3.44Å; E29-S32 WeakPolarHBondContact O-CB 3.41Å; E29-S32 PolarHBondContact O-N 2.91Å; E29-Y33 WeakPolarHBondContact O-CB 3.16Å; E29-Y33 PolarHBondContact O-N 2.82Å
30L80Confident78.9Confident9 Ų978.1 Ų78.15%0.04737%0.371CS..Hα-helixtrans-60.6-44.4175.7-170.260.6000111.1I17 V25 T26 S32 Y33 F34 V46 F49 I50I17-L30 HydrophobicContact CD1-CD1 4.17Å; I17-L30 HydrophobicContact CG2-CB 4.49Å; I17-L30 HydrophobicContact CG2-CD1 4.03Å; V25-L30 HydrophobicContact CG1-CB 3.98Å; V25-L30 HydrophobicContact CG1-CD1 4.49Å; T26-L30 PolarHBondContact O-N 3.42Å; L30-S32 VanDerWaalsContact C-N 3.28Å; L30-S32 PolarHBondContact O-N 2.78Å; L30-Y33 PolarHBondContact O-N 2.7Å; L30-F34 HydrophobicContact CD1-CD2 4.09Å; L30-F34 HydrophobicContact CD1-CE2 3.53Å; L30-F34 HydrophobicContact CD1-CZ 4.08Å; L30-F34 HydrophobicContact CD2-CE2 4.02Å; L30-F34 HydrophobicContact CG-CD2 3.86Å; L30-F34 HydrophobicContact CG-CE2 3.48Å; L30-F34 VanDerWaalsContact CG-CE2 3.48Å; L30-F34 HydrophobicContact CG-CZ 4.47Å; L30-F34 WeakPolarHBondContact O-CD2 3.49Å; L30-F34 PolarHBondContact O-N 2.84Å; L30-V46 HydrophobicContact CB-CG1 4.11Å; L30-V46 HydrophobicContact CD2-CG1 3.8Å; L30-V46 HydrophobicContact CG-CG1 3.97Å; L30-F49 HydrophobicContact CD2-CD1 4.24Å; L30-I50 HydrophobicContact CB-CD1 4.42Å; L30-I50 HydrophobicContact CD2-CD1 3.91Å; L30-I50 HydrophobicContact CD2-CG1 3.8Å
31S79.6Confident78Confident8 Ų878.8 Ų78.86%0.05637%0.37CS..Hα-helixtrans-62.7-35.7173.7-62.10000112.4N27 E29 R35N27-S31 WeakPolarHBondContact O-CB 3.36Å; N27-S31 PolarHBondContact O-N 3.13Å; N27-S31 PolarHBondContact O-OG 3.29Å; N27-S31 PolarHBondContact OD1-OG 2.91Å; E29-S31 VanDerWaalsContact C-N 3.32Å; E29-S31 PolarHBondContact O-N 2.78Å; S31-R35 WeakPolarHBondContact O-CB 3.33Å; S31-R35 VanDerWaalsContact O-CG 3.27Å; S31-R35 WeakPolarHBondContact O-CG 3.31Å; S31-R35 PolarHBondContact O-N 3.46Å
32S82.1Confident77.6Confident56 Ų5677.8 Ų77.839%0.39237%0.369SS..Hα-helixtrans-67.9-43.9177.6-162.20000111.3R28 E29 L30 R35 K36R28-S32 VanDerWaalsContact O-CB 3.3Å; R28-S32 WeakPolarHBondContact O-CB 3.29Å; R28-S32 PolarHBondContact O-N 3.27Å; E29-S32 CarbonylContact O-C 3.57Å; E29-S32 WeakPolarHBondContact O-CA 3.44Å; E29-S32 WeakPolarHBondContact O-CB 3.41Å; E29-S32 PolarHBondContact O-N 2.91Å; L30-S32 VanDerWaalsContact C-N 3.28Å; L30-S32 PolarHBondContact O-N 2.78Å; S32-R35 PolarHBondContact O-N 3.49Å; S32-K36 WeakPolarHBondContact O-CB 3.22Å; S32-K36 PolarHBondContact O-N 3.08Å
33Y79.2Confident77Confident46 Ų4684.3 Ų84.318%0.1839%0.388CS..Hα-helixtrans-60-51.5175.3-177.6-94000111Q16 I17 E29 L30 R35 K36 H37Q16-Y33 HydrophobicContact CB-CE2 4.36Å; I17-Y33 HydrophobicContact CG1-CD1 4.08Å; I17-Y33 HydrophobicContact CG1-CD2 3.9Å; I17-Y33 HydrophobicContact CG1-CE1 4.31Å; I17-Y33 HydrophobicContact CG1-CE2 4.14Å; I17-Y33 HydrophobicContact CG1-CG 3.87Å; I17-Y33 HydrophobicContact CG2-CG 4.46Å; E29-Y33 WeakPolarHBondContact O-CB 3.16Å; E29-Y33 PolarHBondContact O-N 2.82Å; L30-Y33 PolarHBondContact O-N 2.7Å; Y33-R35 VanDerWaalsContact C-N 3.33Å; Y33-R35 PolarHBondContact O-N 3.3Å; Y33-K36 WeakPolarHBondContact O-CB 3.42Å; Y33-K36 PolarHBondContact O-N 2.78Å; Y33-H37 AromaticContact CD1-CD2 3.92Å; Y33-H37 AromaticContact CD2-CD2 3.78Å; Y33-H37 AromaticContact CD2-NE2 3.86Å; Y33-H37 AromaticContact CE1-CD2 3.64Å; Y33-H37 AromaticContact CE2-CD2 3.49Å; Y33-H37 VanDerWaalsContact CE2-CD2 3.49Å; Y33-H37 WeakPolarHBondContact CE2-CD2 3.28Å; Y33-H37 AromaticContact CE2-NE2 3.22Å; Y33-H37 WeakPolarHBondContact CE2-NE2 3.22Å; Y33-H37 AromaticContact CG-CD2 3.98Å; Y33-H37 AromaticContact CZ-CD2 3.4Å; Y33-H37 VanDerWaalsContact CZ-CD2 3.4Å; Y33-H37 AromaticContact CZ-NE2 3.36Å; Y33-H37 PolarHBondContact O-CD2 3.43Å; Y33-H37 VanDerWaalsContact O-CD2 3.26Å; Y33-H37 PolarHBondContact O-N 3.17Å
34F75.8Confident76.7Confident42 Ų4290.7 Ų90.718%0.18441%0.41CS..Hα-helixtrans-60.9-40.2178-75-54.1000113.1L30 K36 H37 H38 A39 F41 V46L30-F34 HydrophobicContact CD1-CD2 4.09Å; L30-F34 HydrophobicContact CD1-CE2 3.53Å; L30-F34 HydrophobicContact CD1-CZ 4.08Å; L30-F34 HydrophobicContact CD2-CE2 4.02Å; L30-F34 HydrophobicContact CG-CD2 3.86Å; L30-F34 HydrophobicContact CG-CE2 3.48Å; L30-F34 VanDerWaalsContact CG-CE2 3.48Å; L30-F34 HydrophobicContact CG-CZ 4.47Å; L30-F34 WeakPolarHBondContact O-CD2 3.49Å; L30-F34 PolarHBondContact O-N 2.84Å; F34-K36 VanDerWaalsContact C-N 3.32Å; F34-K36 PolarHBondContact O-N 3.25Å; F34-H37 CarbonylContact O-C 3.58Å; F34-H37 PolarHBondContact O-N 3Å; F34-H38 PolarHBondContact O-N 2.89Å; F34-A39 HydrophobicContact CB-CB 4.21Å; F34-A39 HydrophobicContact CD1-CB 3.78Å; F34-A39 HydrophobicContact CG-CB 4.42Å; F34-A39 PolarHBondContact O-N 2.75Å; F34-F41 HydrophobicContact CB-CD2 4.04Å; F34-F41 AromaticContact CD1-CD2 3.31Å; F34-F41 HydrophobicContact CD1-CD2 3.31Å; F34-F41 AromaticContact CD1-CE2 3.47Å; F34-F41 HydrophobicContact CD1-CE2 3.47Å; F34-F41 VanDerWaalsContact CD1-CE2 3.47Å; F34-F41 HydrophobicContact CD1-CG 4.39Å; F34-F41 HydrophobicContact CD2-CB 4.33Å; F34-F41 AromaticContact CD2-CD2 3.92Å; F34-F41 HydrophobicContact CD2-CD2 3.92Å; F34-F41 HydrophobicContact CD2-CG 4.28Å; F34-F41 AromaticContact CE1-CD2 3.58Å; F34-F41 HydrophobicContact CE1-CD2 3.58Å; F34-F41 AromaticContact CE1-CE2 3.31Å; F34-F41 HydrophobicContact CE1-CE2 3.31Å; F34-F41 HydrophobicContact CE1-CZ 4.15Å; F34-F41 HydrophobicContact CE2-CD2 4.13Å; F34-F41 HydrophobicContact CE2-CE2 4.46Å; F34-F41 HydrophobicContact CE2-CG 4.44Å; F34-F41 HydrophobicContact CG-CB 4.41Å; F34-F41 AromaticContact CG-CD2 3.5Å; F34-F41 HydrophobicContact CG-CD2 3.5Å; F34-F41 VanDerWaalsContact CG-CD2 3.5Å; F34-F41 HydrophobicContact CG-CE2 4.14Å; F34-F41 HydrophobicContact CG-CG 4.25Å; F34-F41 AromaticContact CZ-CD2 3.99Å; F34-F41 HydrophobicContact CZ-CD2 3.99Å; F34-F41 AromaticContact CZ-CE2 3.86Å; F34-F41 HydrophobicContact CZ-CE2 3.86Å; F34-F41 HydrophobicContact CZ-CZ 4.38Å; F34-V46 HydrophobicContact CD2-CG2 4.09Å
35R78.4Confident76.2Confident150 Ų15091.4 Ų91.457%0.56641%0.414SS*.Hα-helixtrans-59.9-42.4173-78.8-172.3-61.3-95.61112S31 S32 Y33 H37 H38S31-R35 WeakPolarHBondContact O-CB 3.33Å; S31-R35 VanDerWaalsContact O-CG 3.27Å; S31-R35 WeakPolarHBondContact O-CG 3.31Å; S31-R35 PolarHBondContact O-N 3.46Å; S32-R35 PolarHBondContact O-N 3.49Å; Y33-R35 VanDerWaalsContact C-N 3.33Å; Y33-R35 PolarHBondContact O-N 3.3Å; R35-H37 VanDerWaalsContact C-N 3.31Å; R35-H37 PolarHBondContact O-N 3.17Å; R35-H38 PolarHBondContact O-N 2.76Å
36K78.6Confident75.8Confident146 Ų14691.3 Ų91.364%0.63541%0.413SS*.Hα-helixtrans-64.1-36177.6-172.5179.2179.8-177.50112.1S32 Y33 F34 H38S32-K36 WeakPolarHBondContact O-CB 3.22Å; S32-K36 PolarHBondContact O-N 3.08Å; Y33-K36 WeakPolarHBondContact O-CB 3.42Å; Y33-K36 PolarHBondContact O-N 2.78Å; F34-K36 VanDerWaalsContact C-N 3.32Å; F34-K36 PolarHBondContact O-N 3.25Å; K36-H38 VanDerWaalsContact C-N 3.28Å; K36-H38 PolarHBondContact O-N 2.83Å
37H74.2Confident75.6Confident104 Ų10497.4 Ų97.448%0.48144%0.438SS..THydrogen-bonded Turntrans-88.616179.2-73.6-83.9000113.8Y33 F34 R35 A39Y33-H37 AromaticContact CD1-CD2 3.92Å; Y33-H37 AromaticContact CD2-CD2 3.78Å; Y33-H37 AromaticContact CD2-NE2 3.86Å; Y33-H37 AromaticContact CE1-CD2 3.64Å; Y33-H37 AromaticContact CE2-CD2 3.49Å; Y33-H37 VanDerWaalsContact CE2-CD2 3.49Å; Y33-H37 WeakPolarHBondContact CE2-CD2 3.28Å; Y33-H37 AromaticContact CE2-NE2 3.22Å; Y33-H37 WeakPolarHBondContact CE2-NE2 3.22Å; Y33-H37 AromaticContact CG-CD2 3.98Å; Y33-H37 AromaticContact CZ-CD2 3.4Å; Y33-H37 VanDerWaalsContact CZ-CD2 3.4Å; Y33-H37 AromaticContact CZ-NE2 3.36Å; Y33-H37 PolarHBondContact O-CD2 3.43Å; Y33-H37 VanDerWaalsContact O-CD2 3.26Å; Y33-H37 PolarHBondContact O-N 3.17Å; F34-H37 CarbonylContact O-C 3.58Å; F34-H37 PolarHBondContact O-N 3Å; R35-H37 VanDerWaalsContact C-N 3.31Å; R35-H37 PolarHBondContact O-N 3.17Å; H37-A39 PolarHBondContact O-N 2.95Å
38H67.7Low75.6Confident172 Ų17297.6 Ų97.680%0.79644%0.444SS*.THydrogen-bonded Turntrans53.917-178-62.1-85.5000114.7F34 R35 K36 K40F34-H38 PolarHBondContact O-N 2.89Å; R35-H38 PolarHBondContact O-N 2.76Å; K36-H38 VanDerWaalsContact C-N 3.28Å; K36-H38 PolarHBondContact O-N 2.83Å; H38-K40 PolarHBondContact O-N 3.26Å
39A66.7Low75.4Confident33 Ų3393.2 Ų93.227%0.27343%0.43SS..  trans-79112.6175.500000107.7F34 H37 F41F34-A39 HydrophobicContact CB-CB 4.21Å; F34-A39 HydrophobicContact CD1-CB 3.78Å; F34-A39 HydrophobicContact CG-CB 4.42Å; F34-A39 PolarHBondContact O-N 2.75Å; H37-A39 PolarHBondContact O-N 2.95Å; A39-F41 HydrophobicContact CB-CD2 3.66Å; A39-F41 HydrophobicContact CB-CE2 3.75Å; A39-F41 PolarHBondContact O-N 2.97Å
40K59.2Low75.1Confident200 Ų20092.9 Ų92.987%0.8743%0.429SS*.  trans-76.165.7177.1-66.2-177.3-178.9176.70110.3H38H38-K40 PolarHBondContact O-N 3.26Å
41F65.3Low75.2Confident98 Ų9896.9 Ų96.943%0.4346%0.457SS..  trans-82.9122.8165-72.9-81.7000108.7F34 A39 E45 V46F34-F41 HydrophobicContact CB-CD2 4.04Å; F34-F41 AromaticContact CD1-CD2 3.31Å; F34-F41 HydrophobicContact CD1-CD2 3.31Å; F34-F41 AromaticContact CD1-CE2 3.47Å; F34-F41 HydrophobicContact CD1-CE2 3.47Å; F34-F41 VanDerWaalsContact CD1-CE2 3.47Å; F34-F41 HydrophobicContact CD1-CG 4.39Å; F34-F41 HydrophobicContact CD2-CB 4.33Å; F34-F41 AromaticContact CD2-CD2 3.92Å; F34-F41 HydrophobicContact CD2-CD2 3.92Å; F34-F41 HydrophobicContact CD2-CG 4.28Å; F34-F41 AromaticContact CE1-CD2 3.58Å; F34-F41 HydrophobicContact CE1-CD2 3.58Å; F34-F41 AromaticContact CE1-CE2 3.31Å; F34-F41 HydrophobicContact CE1-CE2 3.31Å; F34-F41 HydrophobicContact CE1-CZ 4.15Å; F34-F41 HydrophobicContact CE2-CD2 4.13Å; F34-F41 HydrophobicContact CE2-CE2 4.46Å; F34-F41 HydrophobicContact CE2-CG 4.44Å; F34-F41 HydrophobicContact CG-CB 4.41Å; F34-F41 AromaticContact CG-CD2 3.5Å; F34-F41 HydrophobicContact CG-CD2 3.5Å; F34-F41 VanDerWaalsContact CG-CD2 3.5Å; F34-F41 HydrophobicContact CG-CE2 4.14Å; F34-F41 HydrophobicContact CG-CG 4.25Å; F34-F41 AromaticContact CZ-CD2 3.99Å; F34-F41 HydrophobicContact CZ-CD2 3.99Å; F34-F41 AromaticContact CZ-CE2 3.86Å; F34-F41 HydrophobicContact CZ-CE2 3.86Å; F34-F41 HydrophobicContact CZ-CZ 4.38Å; A39-F41 HydrophobicContact CB-CD2 3.66Å; A39-F41 HydrophobicContact CB-CE2 3.75Å; A39-F41 PolarHBondContact O-N 2.97Å; F41-E45 HydrophobicContact CD1-CB 4.17Å; F41-V46 HydrophobicContact CB-CG2 3.66Å
42N69.6Low75.3Confident110 Ų110104.1 Ų104.159%0.58849%0.487SS*.  trans-67.4149.3170.8-69.2-44.4000109.3Q44 E45 V46N42-Q44 PolarHBondContact O-N 3.47Å; N42-E45 HydrophobicContact CB-CG 4.34Å; N42-E45 WeakPolarHBondContact CB-OE2 3.37Å; N42-E45 PolarHBondContact N-OE2 3.06Å; N42-E45 PolarHBondContact ND2-OE2 3.35Å; N42-E45 WeakPolarHBondContact O-CB 3.18Å; N42-E45 PolarHBondContact O-N 3.23Å; N42-V46 PolarHBondContact O-N 2.94Å; N42-V46 VanDerWaalsContact O-N 3.09Å
43R72.5Confident75.2Confident205 Ų205102.7 Ų102.777%0.77448%0.475SS*.Hα-helixtrans-52.3-32.5178.5-66.6-174-134-178.13.7112.6K47R43-K47 VanDerWaalsContact O-CB 3.23Å; R43-K47 WeakPolarHBondContact O-CB 3.41Å; R43-K47 PolarHBondContact O-N 2.85Å
44Q77.4Confident75.4Confident167 Ų167101.5 Ų101.578%0.7847%0.471SS*.Hα-helixtrans-66.9-40.4176.4-68-178.22.300112.5N42 K47 S48N42-Q44 PolarHBondContact O-N 3.47Å; Q44-K47 PolarHBondContact O-N 2.86Å; Q44-S48 WeakPolarHBondContact O-CB 3.23Å; Q44-S48 PolarHBondContact O-N 2.7Å
45E77.7Confident75.5Confident90 Ų90103 Ų10342%0.42149%0.487SS..Hα-helixtrans-67.1-45.5177-64.7173.1100.900110.5F41 N42 K47 S48 F49F41-E45 HydrophobicContact CD1-CB 4.17Å; N42-E45 HydrophobicContact CB-CG 4.34Å; N42-E45 WeakPolarHBondContact CB-OE2 3.37Å; N42-E45 PolarHBondContact N-OE2 3.06Å; N42-E45 PolarHBondContact ND2-OE2 3.35Å; N42-E45 WeakPolarHBondContact O-CB 3.18Å; N42-E45 PolarHBondContact O-N 3.23Å; E45-K47 VanDerWaalsContact C-N 3.32Å; E45-K47 PolarHBondContact O-N 3.27Å; E45-S48 PolarHBondContact O-N 3.14Å; E45-F49 WeakPolarHBondContact O-CB 3.26Å; E45-F49 PolarHBondContact O-N 3.11Å
46V76.6Confident75.8Confident2 Ų2100.6 Ų100.61%0.01249%0.486CS..Hα-helixtrans-60.3-43.6175-175.90000110.8L30 F34 F41 N42 F49 I50L30-V46 HydrophobicContact CB-CG1 4.11Å; L30-V46 HydrophobicContact CD2-CG1 3.8Å; L30-V46 HydrophobicContact CG-CG1 3.97Å; F34-V46 HydrophobicContact CD2-CG2 4.09Å; F41-V46 HydrophobicContact CB-CG2 3.66Å; N42-V46 PolarHBondContact O-N 2.94Å; N42-V46 VanDerWaalsContact O-N 3.09Å; V46-F49 PolarHBondContact O-N 3.3Å; V46-I50 HydrophobicContact CG1-CD1 3.94Å; V46-I50 WeakPolarHBondContact O-CG1 3.32Å; V46-I50 PolarHBondContact O-N 2.73Å
47K79.1Confident75.8Confident148 Ų14896.5 Ų96.564%0.64349%0.485SS*.Hα-helixtrans-64.7-42.3177.5-173.2179.1-178.9-177.60111.9R43 Q44 E45 F49 I50 C51R43-K47 VanDerWaalsContact O-CB 3.23Å; R43-K47 WeakPolarHBondContact O-CB 3.41Å; R43-K47 PolarHBondContact O-N 2.85Å; Q44-K47 PolarHBondContact O-N 2.86Å; E45-K47 VanDerWaalsContact C-N 3.32Å; E45-K47 PolarHBondContact O-N 3.27Å; K47-F49 VanDerWaalsContact C-N 3.33Å; K47-I50 PolarHBondContact O-N 2.69Å; K47-C51 WeakPolarHBondContact O-CB 3.08Å; K47-C51 PolarHBondContact O-N 2.95Å
48S81.2Confident76.3Confident57 Ų5795.1 Ų95.140%0.39948%0.481SS..Hα-helixtrans-66.6-37.4177.3-176.10000111.5Q44 E45 K52Q44-S48 WeakPolarHBondContact O-CB 3.23Å; Q44-S48 PolarHBondContact O-N 2.7Å; E45-S48 PolarHBondContact O-N 3.14Å; S48-K52 VanDerWaalsContact O-CG 3.28Å; S48-K52 WeakPolarHBondContact O-CG 3.47Å; S48-K52 PolarHBondContact O-N 3.45Å; S48-K52 VanDerWaalsContact O-N 3.17Å
49F77.2Confident76.9Confident100 Ų10088.7 Ų88.744%0.43946%0.461SS..Hα-helixtrans-64.1-48.9175.2-166.6-101.2000110.9L30 E45 V46 K47 K52 L53L30-F49 HydrophobicContact CD2-CD1 4.24Å; E45-F49 WeakPolarHBondContact O-CB 3.26Å; E45-F49 PolarHBondContact O-N 3.11Å; V46-F49 PolarHBondContact O-N 3.3Å; K47-F49 VanDerWaalsContact C-N 3.33Å; F49-K52 PolarHBondContact O-N 3.35Å; F49-K52 VanDerWaalsContact O-N 3.17Å; F49-L53 HydrophobicContact CD1-CD1 3.9Å; F49-L53 HydrophobicContact CD1-CG 4.42Å; F49-L53 HydrophobicContact CE1-CD1 3.32Å; F49-L53 HydrophobicContact CE1-CG 4.2Å; F49-L53 HydrophobicContact CZ-CD1 3.73Å; F49-L53 HydrophobicContact CZ-CG 4.48Å; F49-L53 WeakPolarHBondContact O-CG 3.42Å; F49-L53 PolarHBondContact O-N 3.49Å
50I78.9Confident77.8Confident7 Ų789.8 Ų89.84%0.03646%0.461CS..Hα-helixtrans-60.1-51.2177.1-69.9167.3000110.8N27 L30 V46 K47 K52 L53 D54 I61N27-I50 HydrophobicContact CB-CD1 3.5Å; N27-I50 VanDerWaalsContact CB-CD1 3.5Å; L30-I50 HydrophobicContact CB-CD1 4.42Å; L30-I50 HydrophobicContact CD2-CD1 3.91Å; L30-I50 HydrophobicContact CD2-CG1 3.8Å; V46-I50 HydrophobicContact CG1-CD1 3.94Å; V46-I50 WeakPolarHBondContact O-CG1 3.32Å; V46-I50 PolarHBondContact O-N 2.73Å; K47-I50 PolarHBondContact O-N 2.69Å; I50-K52 PolarHBondContact O-N 3.34Å; I50-L53 PolarHBondContact O-N 2.85Å; I50-D54 HydrophobicContact CG2-CB 3.96Å; I50-D54 WeakPolarHBondContact O-CB 3.49Å; I50-D54 PolarHBondContact O-N 2.81Å; I50-I61 HydrophobicContact CB-CD1 4.35Å; I50-I61 HydrophobicContact CG1-CD1 3.72Å; I50-I61 HydrophobicContact CG1-CG1 4.29Å; I50-I61 HydrophobicContact CG2-CD1 4.48Å; I50-I61 HydrophobicContact CG2-CG1 4.19Å
51C81.9Confident79.2Confident94 Ų9480.5 Ų80.564%0.63542%0.42SS*.Hα-helixtrans-57.9-22.5179.5-1700000113.8K47K47-C51 WeakPolarHBondContact O-CB 3.08Å; K47-C51 PolarHBondContact O-N 2.95Å
52K81.2Confident80.2Confident159 Ų15976.6 Ų76.669%0.69141%0.406SS*.Hα-helixtrans-83.8-24.3174.3-75.8174.7180-179.20113.4S48 F49 I50S48-K52 VanDerWaalsContact O-CG 3.28Å; S48-K52 WeakPolarHBondContact O-CG 3.47Å; S48-K52 PolarHBondContact O-N 3.45Å; S48-K52 VanDerWaalsContact O-N 3.17Å; F49-K52 PolarHBondContact O-N 3.35Å; F49-K52 VanDerWaalsContact O-N 3.17Å; I50-K52 PolarHBondContact O-N 3.34Å
53L79.8Confident80.8Confident26 Ų2674 Ų7414%0.13639%0.391CS..Hα-helixtrans-98.8-43.5-177.5-60.3-164.7000112.1F49 I50 S55 I61 L66 A69F49-L53 HydrophobicContact CD1-CD1 3.9Å; F49-L53 HydrophobicContact CD1-CG 4.42Å; F49-L53 HydrophobicContact CE1-CD1 3.32Å; F49-L53 HydrophobicContact CE1-CG 4.2Å; F49-L53 HydrophobicContact CZ-CD1 3.73Å; F49-L53 HydrophobicContact CZ-CG 4.48Å; F49-L53 WeakPolarHBondContact O-CG 3.42Å; F49-L53 PolarHBondContact O-N 3.49Å; I50-L53 PolarHBondContact O-N 2.85Å; L53-S55 PolarHBondContact O-N 3.02Å; L53-S55 PolarHBondContact O-OG 3.41Å; L53-I61 HydrophobicContact CB-CD1 4.06Å; L53-I61 HydrophobicContact CB-CG1 4.25Å; L53-I61 HydrophobicContact CD1-CD1 4.02Å; L53-L66 HydrophobicContact CD1-CD1 4.24Å; L53-A69 HydrophobicContact CD1-CB 3.78Å; L53-A69 HydrophobicContact CD2-CB 3.33Å; L53-A69 HydrophobicContact CG-CB 4.05Å
54D83.9Confident81.4Confident21 Ų2168.5 Ų68.511%0.11238%0.382CS..  trans-59.296.4170.6176.95.4000108.8I50 G57 D58 G59I50-D54 HydrophobicContact CG2-CB 3.96Å; I50-D54 WeakPolarHBondContact O-CB 3.49Å; I50-D54 PolarHBondContact O-N 2.81Å; D54-G57 WeakPolarHBondContact OD1-CA 3.09Å; D54-G57 PolarHBondContact OD1-N 3.05Å; D54-D58 PolarHBondContact OD1-N 2.71Å; D54-D58 VanDerWaalsContact OD1-N 3.11Å; D54-G59 WeakPolarHBondContact OD2-CA 3.12Å; D54-G59 PolarHBondContact OD2-N 2.92Å
55S78.8Confident81.7Confident73 Ų7361 Ų6151%0.5135%0.347SS..SBendtrans-100.9-20.6-173.2-57.30000111.9L53 E65 R68L53-S55 PolarHBondContact O-N 3.02Å; L53-S55 PolarHBondContact O-OG 3.41Å; S55-E65 PolarHBondContact N-OE1 3.09Å; S55-R68 PolarHBondContact OG-NH2 3.46Å
56D83.6Confident81.9Confident101 Ų10157.5 Ų57.554%0.5433%0.331SS..SBendtrans-84.7-16.4170.765.43.6000112.4D58 E65D56-D58 PolarHBondContact OD1-N 2.91Å; D56-D58 VanDerWaalsContact OD1-N 3.14Å; D56-E65 PolarHBondContact N-OE1 2.84Å
57G79.6Confident82.2Confident59 Ų5957.9 Ų57.961%0.60833%0.334SS*.  trans77.923.2176.100000113D54 G59D54-G57 WeakPolarHBondContact OD1-CA 3.09Å; D54-G57 PolarHBondContact OD1-N 3.05Å; G57-G59 VanDerWaalsContact C-N 3.25Å; G57-G59 PolarHBondContact O-N 2.96Å
58D84.1Confident82.2Confident75 Ų7557.2 Ų57.240%0.40133%0.327SS..SBendtrans-79.6-8.6-17985.9-15.4000113.2D54 D56 Q60D54-D58 PolarHBondContact OD1-N 2.71Å; D54-D58 VanDerWaalsContact OD1-N 3.11Å; D56-D58 PolarHBondContact OD1-N 2.91Å; D56-D58 VanDerWaalsContact OD1-N 3.14Å; D58-Q60 VanDerWaalsContact C-N 3.34Å; D58-Q60 VanDerWaalsContact OD1-CA 3.26Å; D58-Q60 WeakPolarHBondContact OD1-CA 3.33Å; D58-Q60 WeakPolarHBondContact OD1-CB 3.45Å; D58-Q60 PolarHBondContact OD1-N 3.11Å; D58-Q60 VanDerWaalsContact OD1-O 3.11Å
59G81.4Confident82Confident38 Ų3856.5 Ų56.539%0.39233%0.325SS..SBendtrans83.68.7-178.400000114.1D54 G57D54-G59 WeakPolarHBondContact OD2-CA 3.12Å; D54-G59 PolarHBondContact OD2-N 2.92Å; G57-G59 VanDerWaalsContact C-N 3.25Å; G57-G59 PolarHBondContact O-N 2.96Å
60Q85.4Confident81.8Confident56 Ų5654.8 Ų54.826%0.26232%0.32SS..EExtended strand (participates in β ladder)trans-127.6165.6179.9-39.9-166.6-13.500108.9F24 V25 T26 D58F24-Q60 HydrophobicContact CB-CB 3.97Å; F24-Q60 HydrophobicContact CD1-CB 4.48Å; V25-Q60 CarbonylContact O-C 3.53Å; V25-Q60 WeakPolarHBondContact O-CA 3.44Å; T26-Q60 HydrophobicContact CG2-CB 4.43Å; T26-Q60 HydrophobicContact CG2-CG 3.93Å; D58-Q60 VanDerWaalsContact C-N 3.34Å; D58-Q60 VanDerWaalsContact OD1-CA 3.26Å; D58-Q60 WeakPolarHBondContact OD1-CA 3.33Å; D58-Q60 WeakPolarHBondContact OD1-CB 3.45Å; D58-Q60 PolarHBondContact OD1-N 3.11Å; D58-Q60 VanDerWaalsContact OD1-O 3.11Å
61I87.2Confident81.7Confident4 Ų456.9 Ų56.92%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-116.8117.3174-60.3169.8000106.7F14 F24 V25 I50 L53 E65 L66F14-I61 VanDerWaalsContact CE2-O 3.22Å; F14-I61 WeakPolarHBondContact CE2-O 3.49Å; F24-I61 CarbonylContact C-O 3.6Å; V25-I61 HydrophobicContact CB-CB 4.33Å; V25-I61 PolarHBondContact N-O 2.89Å; V25-I61 PolarHBondContact O-N 3.45Å; I50-I61 HydrophobicContact CB-CD1 4.35Å; I50-I61 HydrophobicContact CG1-CD1 3.72Å; I50-I61 HydrophobicContact CG1-CG1 4.29Å; I50-I61 HydrophobicContact CG2-CD1 4.48Å; I50-I61 HydrophobicContact CG2-CG1 4.19Å; L53-I61 HydrophobicContact CB-CD1 4.06Å; L53-I61 HydrophobicContact CB-CG1 4.25Å; L53-I61 HydrophobicContact CD1-CD1 4.02Å; I61-E65 HydrophobicContact CG2-CB 4.08Å; I61-L66 HydrophobicContact CG2-CB 3.87Å; I61-L66 HydrophobicContact CG2-CD1 4.44Å
62S86.2Confident80.9Confident17 Ų1754.8 Ų54.812%0.11933%0.327CS..EExtended strand (participates in β ladder)trans-79.8158.8172.166.30000111.6P64 E65 L66S62-P64 VanDerWaalsContact C-CD 3.49Å; S62-P64 VanDerWaalsContact C-N 3.33Å; S62-E65 WeakPolarHBondContact CB-OE2 3.15Å; S62-E65 PolarHBondContact N-OE2 3.33Å; S62-E65 PolarHBondContact O-N 3.42Å; S62-E65 VanDerWaalsContact O-N 3.07Å; S62-E65 VanDerWaalsContact OG-CD 3.32Å; S62-E65 VanDerWaalsContact OG-CG 3.28Å; S62-E65 WeakPolarHBondContact OG-CG 3.27Å; S62-E65 PolarHBondContact OG-OE2 3.26Å; S62-L66 PolarHBondContact O-N 2.95Å
63L84Confident79.8Confident55 Ų5557.4 Ų57.429%0.28833%0.333SS..Hα-helixtrans-54.2-42.3176.5-175.1158.8000113.1T11 F14 E65 L66 T67T11-L63 HydrophobicContact CG2-CD1 3.79Å; F14-L63 HydrophobicContact CD1-CB 4.49Å; F14-L63 HydrophobicContact CD2-CB 4.18Å; F14-L63 HydrophobicContact CE2-CB 4.2Å; F14-L63 HydrophobicContact CG-CB 4.33Å; F14-L63 HydrophobicContact CZ-CB 4.38Å; L63-E65 VanDerWaalsContact C-N 3.35Å; L63-E65 PolarHBondContact O-N 3.4Å; L63-L66 PolarHBondContact O-N 3.38Å; L63-T67 WeakPolarHBondContact O-CB 3.45Å; L63-T67 PolarHBondContact O-N 3.38Å; L63-T67 PolarHBondContact O-OG1 2.88Å
64P83.5Confident78.1Confident90 Ų9070.4 Ų70.458%0.58438%0.382SS*.Hα-helixtrans-60.4-38.8173.9-25.135.5000113.8S62 T67 R68S62-P64 VanDerWaalsContact C-CD 3.49Å; S62-P64 VanDerWaalsContact C-N 3.33Å; P64-T67 WeakPolarHBondContact O-CB 3.35Å; P64-T67 PolarHBondContact O-N 3.04Å; P64-R68 WeakPolarHBondContact O-CB 3.21Å; P64-R68 PolarHBondContact O-N 2.9Å
65E84.9Confident77.8Confident10 Ų1072.9 Ų72.95%0.04740%0.396CS..Hα-helixtrans-70-43.8178.6-70.7170.8126.600111.7S55 D56 I61 S62 L63 T67 R68 A69S55-E65 PolarHBondContact N-OE1 3.09Å; D56-E65 PolarHBondContact N-OE1 2.84Å; I61-E65 HydrophobicContact CG2-CB 4.08Å; S62-E65 WeakPolarHBondContact CB-OE2 3.15Å; S62-E65 PolarHBondContact N-OE2 3.33Å; S62-E65 PolarHBondContact O-N 3.42Å; S62-E65 VanDerWaalsContact O-N 3.07Å; S62-E65 VanDerWaalsContact OG-CD 3.32Å; S62-E65 VanDerWaalsContact OG-CG 3.28Å; S62-E65 WeakPolarHBondContact OG-CG 3.27Å; S62-E65 PolarHBondContact OG-OE2 3.26Å; L63-E65 VanDerWaalsContact C-N 3.35Å; L63-E65 PolarHBondContact O-N 3.4Å; E65-T67 PolarHBondContact O-N 3.44Å; E65-R68 PolarHBondContact O-N 2.81Å; E65-A69 VanDerWaalsContact O-CB 3.27Å; E65-A69 WeakPolarHBondContact O-CB 3.49Å; E65-A69 PolarHBondContact O-N 3.37Å
66L81.4Confident77.8Confident15 Ų1572.9 Ų72.98%0.07939%0.39CS..Hα-helixtrans-61.6-38.1173.9-169.566.5000111V10 F14 L53 I61 S62 L63 A69 L70V10-L66 HydrophobicContact CG1-CB 4.04Å; V10-L66 HydrophobicContact CG1-CD2 3.78Å; V10-L66 HydrophobicContact CG1-CG 3.78Å; F14-L66 HydrophobicContact CB-CD2 4.08Å; F14-L66 HydrophobicContact CD2-CB 4.31Å; F14-L66 HydrophobicContact CD2-CD2 3.73Å; F14-L66 HydrophobicContact CG-CD2 4.43Å; L53-L66 HydrophobicContact CD1-CD1 4.24Å; I61-L66 HydrophobicContact CG2-CB 3.87Å; I61-L66 HydrophobicContact CG2-CD1 4.44Å; S62-L66 PolarHBondContact O-N 2.95Å; L63-L66 PolarHBondContact O-N 3.38Å; L66-A69 WeakPolarHBondContact O-CB 3.4Å; L66-A69 PolarHBondContact O-N 2.83Å; L66-L70 HydrophobicContact CD1-CD1 4.12Å; L66-L70 HydrophobicContact CD1-CG 4.33Å; L66-L70 HydrophobicContact CD2-CD1 4.37Å; L66-L70 HydrophobicContact CG-CD1 3.89Å; L66-L70 HydrophobicContact CG-CG 4.4Å; L66-L70 WeakPolarHBondContact O-CB 3.36Å; L66-L70 WeakPolarHBondContact O-CG 3.36Å; L66-L70 PolarHBondContact O-N 2.88Å
67T82.7Confident77.4Confident11 Ų1171.3 Ų71.37%0.06738%0.381CS..Hα-helixtrans-63.9-46.9175.6-60.60000110.9R7 L63 P64 E65 A69 L70 T71R7-T67 HydrophobicContact CG-CG2 3.86Å; L63-T67 WeakPolarHBondContact O-CB 3.45Å; L63-T67 PolarHBondContact O-N 3.38Å; L63-T67 PolarHBondContact O-OG1 2.88Å; P64-T67 WeakPolarHBondContact O-CB 3.35Å; P64-T67 PolarHBondContact O-N 3.04Å; E65-T67 PolarHBondContact O-N 3.44Å; T67-A69 VanDerWaalsContact C-N 3.29Å; T67-A69 PolarHBondContact O-N 3.29Å; T67-L70 PolarHBondContact O-N 3.26Å; T67-T71 HydrophobicContact CG2-CG2 4.06Å; T67-T71 VanDerWaalsContact O-CB 3.28Å; T67-T71 WeakPolarHBondContact O-CB 3.3Å; T67-T71 VanDerWaalsContact O-CG2 3.25Å; T67-T71 WeakPolarHBondContact O-CG2 3.23Å; T67-T71 PolarHBondContact O-N 2.97Å; T67-T71 PolarHBondContact O-OG1 3.48Å
68R80.1Confident77.3Confident133 Ų13372.1 Ų72.150%0.50237%0.368SS..Hα-helixtrans-61.3-41.7177.2-171.5168.168.1-1530.1111.1S55 P64 E65 G72S55-R68 PolarHBondContact OG-NH2 3.46Å; P64-R68 WeakPolarHBondContact O-CB 3.21Å; P64-R68 PolarHBondContact O-N 2.9Å; E65-R68 PolarHBondContact O-N 2.81Å; R68-G72 PolarHBondContact O-N 2.9Å
69A76Confident76.9Confident42 Ų4271.9 Ų71.935%0.34737%0.366SS..Hα-helixtrans-61-49177.700000113.3L53 E65 L66 T67L53-A69 HydrophobicContact CD1-CB 3.78Å; L53-A69 HydrophobicContact CD2-CB 3.33Å; L53-A69 HydrophobicContact CG-CB 4.05Å; E65-A69 VanDerWaalsContact O-CB 3.27Å; E65-A69 WeakPolarHBondContact O-CB 3.49Å; E65-A69 PolarHBondContact O-N 3.37Å; L66-A69 WeakPolarHBondContact O-CB 3.4Å; L66-A69 PolarHBondContact O-N 2.83Å; T67-A69 VanDerWaalsContact C-N 3.29Å; T67-A69 PolarHBondContact O-N 3.29Å
70L74.4Confident76.6Confident65 Ų6574.1 Ų74.134%0.3436%0.364SS..Hα-helixtrans-81.6-30.8-174.4-69.8176.7000113I5 V10 L66 T67I5-L70 HydrophobicContact CD1-CB 4.16Å; I5-L70 HydrophobicContact CD1-CD1 4.32Å; I5-L70 HydrophobicContact CD1-CD2 4.02Å; I5-L70 HydrophobicContact CD1-CG 4.4Å; V10-L70 HydrophobicContact CB-CD1 4.45Å; V10-L70 HydrophobicContact CG1-CD1 4.17Å; V10-L70 HydrophobicContact CG2-CB 4.11Å; V10-L70 HydrophobicContact CG2-CD1 3.81Å; L66-L70 HydrophobicContact CD1-CD1 4.12Å; L66-L70 HydrophobicContact CD1-CG 4.33Å; L66-L70 HydrophobicContact CD2-CD1 4.37Å; L66-L70 HydrophobicContact CG-CD1 3.89Å; L66-L70 HydrophobicContact CG-CG 4.4Å; L66-L70 WeakPolarHBondContact O-CB 3.36Å; L66-L70 WeakPolarHBondContact O-CG 3.36Å; L66-L70 PolarHBondContact O-N 2.88Å; T67-L70 PolarHBondContact O-N 3.26Å
71T75Confident76Confident50 Ų5075.4 Ų75.431%0.30737%0.371SS..Hα-helixtrans-84.6-21.2178.662.90000112.9T67 R73T67-T71 HydrophobicContact CG2-CG2 4.06Å; T67-T71 VanDerWaalsContact O-CB 3.28Å; T67-T71 WeakPolarHBondContact O-CB 3.3Å; T67-T71 VanDerWaalsContact O-CG2 3.25Å; T67-T71 WeakPolarHBondContact O-CG2 3.23Å; T67-T71 PolarHBondContact O-N 2.97Å; T67-T71 PolarHBondContact O-OG1 3.48Å; T71-R73 PolarHBondContact O-N 3.01Å
72G66.9Low75.1Confident50 Ų5080.9 Ų80.952%0.51540%0.398SS..  trans58.115.318000000114.3R68 Y74R68-G72 PolarHBondContact O-N 2.9Å; G72-Y74 PolarHBondContact O-N 3.37Å
73R56.5Low74.2Confident214 Ų21486.3 Ų86.381%0.80842%0.422SS*.  trans-78.9110.1178.1-92.2-174.2154.8121.1-4.2109.1T71T71-R73 PolarHBondContact O-N 3.01Å
74Y44.8Very low73.3Confident300 Ų30089.1 Ų89.1100%1.17643%0.434SS*.  trans-80.60160.3-73.9-90.2000110.5G72G72-Y74 PolarHBondContact O-N 3.37Å

Retrieved 74 of 74 residues in 20.2 ms (Link to these results)

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