A0A5K4F6T0_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F6T0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 78 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
1M47.7Very low55.2Low193 Ų19382.8 Ų82.895%0.95144%0.439SS*.  0-28.40-71-174.8173.600114L3 T4 F5M1-L3 PolarHBondContact O-N 2.82Å; M1-T4 PolarHBondContact O-N 3.36Å; M1-F5 PolarHBondContact O-N 3.2Å
2H49.5Very low55.6Low100 Ų10083 Ų8346%0.46344%0.44SS..Hα-helixtrans-62.3-42.1-178-65.2-59.6000115.9F5 I6 I56H2-F5 PolarHBondContact O-N 2.76Å; H2-I6 WeakPolarHBondContact O-CG1 3.29Å; H2-I6 PolarHBondContact O-N 3.44Å; H2-I6 VanDerWaalsContact O-N 3.11Å; H2-I56 WeakPolarHBondContact CE1-CG2 3.4Å; H2-I56 WeakPolarHBondContact NE2-CG2 3.28Å
3L50Low56Low137 Ų13777.9 Ų77.972%0.71741%0.413SS*.Hα-helixtrans-65.2-43.7-178.8-161.289.9000110.9M1 F5 I6 V7M1-L3 PolarHBondContact O-N 2.82Å; L3-F5 PolarHBondContact O-N 2.94Å; L3-I6 PolarHBondContact O-N 2.78Å; L3-V7 HydrophobicContact CG-CG2 4.19Å; L3-V7 WeakPolarHBondContact O-CB 3.5Å; L3-V7 WeakPolarHBondContact O-CG2 3.22Å; L3-V7 PolarHBondContact O-N 3.48Å
4T54.1Low56.2Low96 Ų9677.6 Ų77.659%0.58941%0.41SS*.Hα-helixtrans-60.1-45.3178.7-43.80000111.1M1 I6 V7 T8M1-T4 PolarHBondContact O-N 3.36Å; T4-I6 PolarHBondContact O-N 2.94Å; T4-V7 PolarHBondContact O-N 3.3Å; T4-T8 VanDerWaalsContact O-CB 3.26Å; T4-T8 WeakPolarHBondContact O-CB 3.46Å; T4-T8 PolarHBondContact O-N 3.17Å; T4-T8 PolarHBondContact O-OG1 3.43Å
5F59.4Low56.2Low82 Ų8279.5 Ų79.536%0.3643%0.426SS..Hα-helixtrans-59.2-49.8176.1-178.8-96.9000111.8M1 H2 L3 V7 F9 L46M1-F5 PolarHBondContact O-N 3.2Å; H2-F5 PolarHBondContact O-N 2.76Å; L3-F5 PolarHBondContact O-N 2.94Å; F5-V7 VanDerWaalsContact C-N 3.34Å; F5-V7 PolarHBondContact O-N 3.21Å; F5-F9 WeakPolarHBondContact O-CB 3.34Å; F5-F9 PolarHBondContact O-N 2.79Å; F5-L46 HydrophobicContact CE1-CD2 4.36Å; F5-L46 HydrophobicContact CE2-CD2 4.22Å; F5-L46 HydrophobicContact CZ-CD2 3.8Å
6I57.6Low56Low35 Ų3581.5 Ų81.518%0.17944%0.437CS..Hα-helixtrans-62.5-41.9180-64.7167.9000111.1H2 L3 T4 T10 I68 F71H2-I6 WeakPolarHBondContact O-CG1 3.29Å; H2-I6 PolarHBondContact O-N 3.44Å; H2-I6 VanDerWaalsContact O-N 3.11Å; L3-I6 PolarHBondContact O-N 2.78Å; T4-I6 PolarHBondContact O-N 2.94Å; I6-T10 VanDerWaalsContact O-CB 3.28Å; I6-T10 WeakPolarHBondContact O-CB 3.37Å; I6-T10 PolarHBondContact O-N 2.92Å; I6-T10 PolarHBondContact O-OG1 3.05Å; I6-I68 HydrophobicContact CG1-CD1 4.39Å; I6-I68 HydrophobicContact CG1-CG1 4.35Å; I6-F71 HydrophobicContact CG2-CD1 4.17Å; I6-F71 HydrophobicContact CG2-CE1 4.15Å
7V55.7Low56Low72 Ų7280.8 Ų80.844%0.43643%0.429SS..Hα-helixtrans-68.6-51.4-179.9171.20000110.9L3 T4 F5 F9 T10 V11L3-V7 HydrophobicContact CG-CG2 4.19Å; L3-V7 WeakPolarHBondContact O-CB 3.5Å; L3-V7 WeakPolarHBondContact O-CG2 3.22Å; L3-V7 PolarHBondContact O-N 3.48Å; T4-V7 PolarHBondContact O-N 3.3Å; F5-V7 VanDerWaalsContact C-N 3.34Å; F5-V7 PolarHBondContact O-N 3.21Å; V7-F9 PolarHBondContact O-N 3.17Å; V7-T10 PolarHBondContact O-N 2.97Å; V7-V11 HydrophobicContact CG1-CG2 4.43Å; V7-V11 WeakPolarHBondContact O-CB 2.98Å; V7-V11 VanDerWaalsContact O-CG2 3.27Å; V7-V11 WeakPolarHBondContact O-CG2 3.47Å; V7-V11 PolarHBondContact O-N 3.44Å
8T56Low55.8Low77 Ų7783 Ų8347%0.47245%0.449SS..Hα-helixtrans-56.7-39.9177-61.60000110.7T4 V11 L12T4-T8 VanDerWaalsContact O-CB 3.26Å; T4-T8 WeakPolarHBondContact O-CB 3.46Å; T4-T8 PolarHBondContact O-N 3.17Å; T4-T8 PolarHBondContact O-OG1 3.43Å; T8-V11 PolarHBondContact O-N 2.82Å; T8-L12 HydrophobicContact CG2-CD1 4.26Å; T8-L12 WeakPolarHBondContact O-CB 3.31Å; T8-L12 WeakPolarHBondContact O-CG 3.36Å; T8-L12 PolarHBondContact O-N 2.95Å
9F59.5Low55.5Low35 Ų3583.8 Ų83.815%0.15445%0.453CS..Hα-helixtrans-73.3-41.1179.9-168.5-117.7000113.1F5 V7 V11 L12 I13 F38 I42 I68F5-F9 WeakPolarHBondContact O-CB 3.34Å; F5-F9 PolarHBondContact O-N 2.79Å; V7-F9 PolarHBondContact O-N 3.17Å; F9-V11 VanDerWaalsContact C-N 3.31Å; F9-V11 PolarHBondContact O-N 3.28Å; F9-L12 WeakPolarHBondContact O-CB 3.35Å; F9-L12 PolarHBondContact O-N 2.99Å; F9-I13 HydrophobicContact CD1-CD1 4Å; F9-I13 HydrophobicContact CE1-CD1 4Å; F9-I13 HydrophobicContact CZ-CD1 4.42Å; F9-I13 WeakPolarHBondContact O-CD1 3.32Å; F9-I13 VanDerWaalsContact O-CG1 3.26Å; F9-I13 WeakPolarHBondContact O-CG1 3.34Å; F9-I13 PolarHBondContact O-N 3.22Å; F9-F38 HydrophobicContact CD1-CE2 4.29Å; F9-F38 AromaticContact CD1-CZ 3.84Å; F9-F38 HydrophobicContact CD1-CZ 3.84Å; F9-F38 HydrophobicContact CE1-CD2 4.29Å; F9-F38 AromaticContact CE1-CE1 3.73Å; F9-F38 HydrophobicContact CE1-CE1 3.73Å; F9-F38 AromaticContact CE1-CE2 3.24Å; F9-F38 HydrophobicContact CE1-CE2 3.24Å; F9-F38 AromaticContact CE1-CZ 2.93Å; F9-F38 HydrophobicContact CE1-CZ 2.93Å; F9-F38 HydrophobicContact CE2-CE2 4.27Å; F9-F38 AromaticContact CZ-CD2 3.96Å; F9-F38 HydrophobicContact CZ-CD2 3.96Å; F9-F38 HydrophobicContact CZ-CE1 4.31Å; F9-F38 AromaticContact CZ-CE2 3.16Å; F9-F38 HydrophobicContact CZ-CE2 3.16Å; F9-F38 AromaticContact CZ-CZ 3.44Å; F9-F38 HydrophobicContact CZ-CZ 3.44Å; F9-F38 VanDerWaalsContact CZ-CZ 3.44Å; F9-I42 HydrophobicContact CD1-CD1 4.46Å; F9-I42 HydrophobicContact CE1-CD1 3.33Å; F9-I42 HydrophobicContact CE1-CG1 3.44Å; F9-I42 VanDerWaalsContact CE1-CG1 3.44Å; F9-I42 HydrophobicContact CE2-CG1 4.04Å; F9-I42 HydrophobicContact CZ-CD1 3.59Å; F9-I42 HydrophobicContact CZ-CG1 3.15Å; F9-I68 HydrophobicContact CD1-CG2 4.49Å
10T60Low55.4Low10 Ų1081.8 Ų81.86%0.06144%0.443CS..Hα-helixtrans-60.1-42.2171.8-58.40000111.1I6 V7 I13 L14 L72 I75I6-T10 VanDerWaalsContact O-CB 3.28Å; I6-T10 WeakPolarHBondContact O-CB 3.37Å; I6-T10 PolarHBondContact O-N 2.92Å; I6-T10 PolarHBondContact O-OG1 3.05Å; V7-T10 PolarHBondContact O-N 2.97Å; T10-I13 PolarHBondContact O-N 3.43Å; T10-L14 HydrophobicContact CG2-CD1 4.06Å; T10-L14 HydrophobicContact CG2-CG 4.49Å; T10-L14 VanDerWaalsContact O-CG 3.31Å; T10-L14 WeakPolarHBondContact O-CG 3.19Å; T10-L14 PolarHBondContact O-N 2.8Å; T10-L72 HydrophobicContact CG2-CD2 4Å; T10-I75 HydrophobicContact CG2-CD1 3.81Å
11V58Low55.3Low74 Ų7482.5 Ų82.545%0.44845%0.447SS..Hα-helixtrans-65.3-42.9175.5172.20000110.9V7 T8 F9 I13 L14 V15V7-V11 HydrophobicContact CG1-CG2 4.43Å; V7-V11 WeakPolarHBondContact O-CB 2.98Å; V7-V11 VanDerWaalsContact O-CG2 3.27Å; V7-V11 WeakPolarHBondContact O-CG2 3.47Å; V7-V11 PolarHBondContact O-N 3.44Å; T8-V11 PolarHBondContact O-N 2.82Å; F9-V11 VanDerWaalsContact C-N 3.31Å; F9-V11 PolarHBondContact O-N 3.28Å; V11-I13 VanDerWaalsContact C-N 3.26Å; V11-I13 PolarHBondContact O-N 3.27Å; V11-L14 PolarHBondContact O-N 3.38Å; V11-V15 HydrophobicContact CG1-CG2 3.98Å; V11-V15 WeakPolarHBondContact O-CB 3.2Å; V11-V15 WeakPolarHBondContact O-CG2 3.31Å; V11-V15 PolarHBondContact O-N 3.23Å
12L59.6Low55.7Low85 Ų8576.4 Ų76.445%0.44542%0.422SS..Hα-helixtrans-56.6-41.7174-89161.1000111.5T8 F9 N16T8-L12 HydrophobicContact CG2-CD1 4.26Å; T8-L12 WeakPolarHBondContact O-CB 3.31Å; T8-L12 WeakPolarHBondContact O-CG 3.36Å; T8-L12 PolarHBondContact O-N 2.95Å; F9-L12 WeakPolarHBondContact O-CB 3.35Å; F9-L12 PolarHBondContact O-N 2.99Å; L12-N16 WeakPolarHBondContact CD2-ND2 3.34Å; L12-N16 WeakPolarHBondContact O-CB 3.1Å; L12-N16 PolarHBondContact O-N 2.96Å; L12-N16 PolarHBondContact O-ND2 3.11Å
13I61.4Low56.1Low17 Ų1772.8 Ų72.89%0.08741%0.406CS..Hα-helixtrans-65.7-50.9175.6-63.2155.5000110.2F9 T10 V11 V15 N16 F17 F38 L72F9-I13 HydrophobicContact CD1-CD1 4Å; F9-I13 HydrophobicContact CE1-CD1 4Å; F9-I13 HydrophobicContact CZ-CD1 4.42Å; F9-I13 WeakPolarHBondContact O-CD1 3.32Å; F9-I13 VanDerWaalsContact O-CG1 3.26Å; F9-I13 WeakPolarHBondContact O-CG1 3.34Å; F9-I13 PolarHBondContact O-N 3.22Å; T10-I13 PolarHBondContact O-N 3.43Å; V11-I13 VanDerWaalsContact C-N 3.26Å; V11-I13 PolarHBondContact O-N 3.27Å; I13-V15 PolarHBondContact O-N 3.49Å; I13-N16 PolarHBondContact O-N 3.49Å; I13-F17 HydrophobicContact CB-CD2 4.4Å; I13-F17 HydrophobicContact CG2-CD2 3.67Å; I13-F17 HydrophobicContact CG2-CE2 3.94Å; I13-F17 VanDerWaalsContact O-CB 3.3Å; I13-F17 WeakPolarHBondContact O-CB 3.07Å; I13-F17 VanDerWaalsContact O-CD2 3.22Å; I13-F17 WeakPolarHBondContact O-CD2 3.47Å; I13-F17 PolarHBondContact O-N 3.26Å; I13-F38 HydrophobicContact CD1-CD2 4.48Å; I13-F38 HydrophobicContact CD1-CE1 4.46Å; I13-F38 HydrophobicContact CD1-CE2 3.21Å; I13-F38 HydrophobicContact CD1-CZ 3.18Å; I13-F38 HydrophobicContact CG1-CE2 3.62Å; I13-F38 HydrophobicContact CG1-CZ 4.13Å; I13-L72 HydrophobicContact CD1-CD1 3.69Å; I13-L72 HydrophobicContact CD1-CD2 3.87Å; I13-L72 HydrophobicContact CD1-CG 4.41Å; I13-L72 HydrophobicContact CG2-CD2 4.5Å
14L57.9Low56.5Low73 Ų7369.5 Ų69.538%0.38239%0.389SS..Hα-helixtrans-60-35-179.2-70.5170000112.8T10 V11 V20T10-L14 HydrophobicContact CG2-CD1 4.06Å; T10-L14 HydrophobicContact CG2-CG 4.49Å; T10-L14 VanDerWaalsContact O-CG 3.31Å; T10-L14 WeakPolarHBondContact O-CG 3.19Å; T10-L14 PolarHBondContact O-N 2.8Å; V11-L14 PolarHBondContact O-N 3.38Å; L14-V20 HydrophobicContact CD2-CG1 4.44Å; L14-V20 HydrophobicContact CD2-CG2 3.72Å
15V55.9Low57.1Low107 Ų10773.5 Ų73.565%0.64840%0.398SS*.Hα-helixtrans-82.1-39.4-179.61760000111.9V11 I13V11-V15 HydrophobicContact CG1-CG2 3.98Å; V11-V15 WeakPolarHBondContact O-CB 3.2Å; V11-V15 WeakPolarHBondContact O-CG2 3.31Å; V11-V15 PolarHBondContact O-N 3.23Å; I13-V15 PolarHBondContact O-N 3.49Å
16N53.1Low57.5Low111 Ų11171.1 Ų71.159%0.59439%0.389SS*.Hα-helixtrans-82.7-15.8179.9-70.8-68.7000113.6L12 I13 P18L12-N16 WeakPolarHBondContact CD2-ND2 3.34Å; L12-N16 WeakPolarHBondContact O-CB 3.1Å; L12-N16 PolarHBondContact O-N 2.96Å; L12-N16 PolarHBondContact O-ND2 3.11Å; I13-N16 PolarHBondContact O-N 3.49Å; N16-P18 VanDerWaalsContact C-CD 3.45Å; N16-P18 WeakPolarHBondContact O-CD 3.42Å
17F56Low58.5Low70 Ų7073.6 Ų73.631%0.30740%0.403SS..  trans-95.888.4168.4-76.2-97.5000109.2I13 N19 V20 L23 L34I13-F17 HydrophobicContact CB-CD2 4.4Å; I13-F17 HydrophobicContact CG2-CD2 3.67Å; I13-F17 HydrophobicContact CG2-CE2 3.94Å; I13-F17 VanDerWaalsContact O-CB 3.3Å; I13-F17 WeakPolarHBondContact O-CB 3.07Å; I13-F17 VanDerWaalsContact O-CD2 3.22Å; I13-F17 WeakPolarHBondContact O-CD2 3.47Å; I13-F17 PolarHBondContact O-N 3.26Å; F17-N19 PolarHBondContact O-N 3.46Å; F17-V20 HydrophobicContact CB-CG2 4.41Å; F17-V20 PolarHBondContact O-N 3.2Å; F17-L23 HydrophobicContact CD1-CD2 4.11Å; F17-L23 HydrophobicContact CE1-CD2 3.98Å; F17-L34 HydrophobicContact CE1-CD1 4.34Å; F17-L34 HydrophobicContact CE1-CD2 4.42Å; F17-L34 HydrophobicContact CZ-CD1 4.12Å
18P52Low59.6Low120 Ų12076.5 Ų76.578%0.77942%0.416SS*.THydrogen-bonded Turntrans-60.4-13.3178.224.2-34.5000113.2N16N16-P18 VanDerWaalsContact C-CD 3.45Å; N16-P18 WeakPolarHBondContact O-CD 3.42Å
19N50.1Low60.6Low99 Ų9975.4 Ų75.453%0.52942%0.415SS..THydrogen-bonded Turntrans-129.983.8167.3-93-52.6000109.6F17 N21 C22F17-N19 PolarHBondContact O-N 3.46Å; N19-N21 PolarHBondContact O-N 3.37Å; N19-C22 HydrophobicContact CB-CB 3.76Å; N19-C22 WeakPolarHBondContact O-CA 3.35Å; N19-C22 WeakPolarHBondContact O-CB 3.48Å; N19-C22 PolarHBondContact O-N 3.19Å
20V53.9Low61.3Low42 Ų4278 Ų7826%0.25543%0.427SS..Hα-helixtrans-52.5-32.8159.9178.80000110.6L14 F17 C22 L23 L76L14-V20 HydrophobicContact CD2-CG1 4.44Å; L14-V20 HydrophobicContact CD2-CG2 3.72Å; F17-V20 HydrophobicContact CB-CG2 4.41Å; F17-V20 PolarHBondContact O-N 3.2Å; V20-C22 PolarHBondContact O-N 3.45Å; V20-L23 HydrophobicContact CG1-CD1 4.47Å; V20-L23 VanDerWaalsContact O-CB 3.25Å; V20-L23 WeakPolarHBondContact O-CB 3.26Å; V20-L23 PolarHBondContact O-N 2.85Å; V20-L76 HydrophobicContact CB-CD2 4.44Å; V20-L76 HydrophobicContact CG1-CD2 2.99Å; V20-L76 HydrophobicContact CG1-CG 4.5Å
21N54.1Low61.7Low97 Ų9780.8 Ų80.852%0.51944%0.439SS..Hα-helixtrans-60.5-21.3170.2-76.8-18.7000114.7N19 L23 L24N19-N21 PolarHBondContact O-N 3.37Å; N21-L23 VanDerWaalsContact C-N 3.28Å; N21-L24 PolarHBondContact O-N 3.17Å
22C56.6Low62.5Low66 Ų6683.1 Ų83.145%0.44645%0.445SS..Hα-helixtrans-66.1-36.1173.6-166.50000110.3N19 V20 L24 K25 L26N19-C22 HydrophobicContact CB-CB 3.76Å; N19-C22 WeakPolarHBondContact O-CA 3.35Å; N19-C22 WeakPolarHBondContact O-CB 3.48Å; N19-C22 PolarHBondContact O-N 3.19Å; V20-C22 PolarHBondContact O-N 3.45Å; C22-L24 PolarHBondContact O-N 2.91Å; C22-K25 WeakPolarHBondContact O-CB 3.39Å; C22-K25 PolarHBondContact O-N 2.69Å; C22-L26 PolarHBondContact O-N 3.37Å
23L56.9Low63.2Low23 Ų2387.7 Ų87.712%0.1246%0.456CS..Hα-helixtrans-60.3-29.6179.2-57.8179.2000112.7F17 V20 N21 K25 L26 K31 L34 L76F17-L23 HydrophobicContact CD1-CD2 4.11Å; F17-L23 HydrophobicContact CE1-CD2 3.98Å; V20-L23 HydrophobicContact CG1-CD1 4.47Å; V20-L23 VanDerWaalsContact O-CB 3.25Å; V20-L23 WeakPolarHBondContact O-CB 3.26Å; V20-L23 PolarHBondContact O-N 2.85Å; N21-L23 VanDerWaalsContact C-N 3.28Å; L23-K25 VanDerWaalsContact C-N 3.33Å; L23-L26 HydrophobicContact CD2-CD1 3.91Å; L23-K31 WeakPolarHBondContact O-CE 3.35Å; L23-L34 HydrophobicContact CD2-CD2 3.24Å; L23-L76 HydrophobicContact CD1-CD1 3.72Å; L23-L76 HydrophobicContact CD1-CD2 4.01Å
24L59.5Low63.6Low69 Ų6989.3 Ų89.336%0.36146%0.464SS..Hα-helixtrans-72.3-29176.4-58.6167000112.5N21 C22 L26 I78N21-L24 PolarHBondContact O-N 3.17Å; C22-L24 PolarHBondContact O-N 2.91Å; L24-L26 VanDerWaalsContact C-N 3.35Å; L24-I78 HydrophobicContact CD1-CD1 3.32Å; L24-I78 HydrophobicContact CD1-CG2 4.29Å; L24-I78 HydrophobicContact CD2-CB 3.86Å; L24-I78 HydrophobicContact CD2-CD1 4.06Å; L24-I78 HydrophobicContact CD2-CG2 3.75Å; L24-I78 HydrophobicContact CG-CD1 4.27Å
25K66.6Low64.1Low180 Ų18089.1 Ų89.178%0.78346%0.461SS*.Hα-helixtrans-84.7-12179.7-65.2-174.9178.5-177.40113.1C22 L23C22-K25 WeakPolarHBondContact O-CB 3.39Å; C22-K25 PolarHBondContact O-N 2.69Å; L23-K25 VanDerWaalsContact C-N 3.33Å
26L68Low65Low32 Ų3288.4 Ų88.417%0.16845%0.453CS..SBendtrans-67.1135.9176.8-62.5-177.5000110C22 L23 L24 E30 K31 L34C22-L26 PolarHBondContact O-N 3.37Å; L23-L26 HydrophobicContact CD2-CD1 3.91Å; L24-L26 VanDerWaalsContact C-N 3.35Å; L26-E30 VanDerWaalsContact CA-OE2 3.27Å; L26-E30 WeakPolarHBondContact CA-OE2 3.2Å; L26-E30 HydrophobicContact CB-CB 3.83Å; L26-E30 HydrophobicContact CD1-CB 4.49Å; L26-E30 HydrophobicContact CD2-CB 4.02Å; L26-E30 HydrophobicContact CG-CB 4.3Å; L26-K31 HydrophobicContact CB-CG 3.83Å; L26-K31 WeakPolarHBondContact O-CE 3.34Å; L26-K31 PolarHBondContact O-NZ 2.92Å; L26-K31 VanDerWaalsContact O-NZ 3.09Å; L26-L34 HydrophobicContact CD1-CD2 3.96Å
27D77.8Confident65.9Low87 Ų8788.1 Ų88.147%0.46545%0.451SS..  trans-68.7170.7168.47331000110.9A29 E30 K31D27-A29 PolarHBondContact O-N 3.49Å; D27-A29 WeakPolarHBondContact OD1-CA 3.48Å; D27-A29 WeakPolarHBondContact OD1-CB 3.35Å; D27-A29 PolarHBondContact OD1-N 2.81Å; D27-E30 PolarHBondContact N-OE2 3.27Å; D27-E30 PolarHBondContact O-N 3.39Å; D27-E30 WeakPolarHBondContact OD1-CB 3.38Å; D27-E30 WeakPolarHBondContact OD1-CG 3.19Å; D27-E30 PolarHBondContact OD1-N 3.4Å; D27-K31 WeakPolarHBondContact O-CG 3.04Å; D27-K31 PolarHBondContact O-N 3.28Å
28D77.8Confident66.5Low133 Ų13386.2 Ų86.271%0.71144%0.443SS*.Hα-helixtrans-63.8-30-176.6-71-25.7000112.5K31 E32D28-K31 IonicContact OD1-NZ 3.2Å; D28-E32 WeakPolarHBondContact O-CB 3.33Å; D28-E32 PolarHBondContact O-N 2.72Å
29A78.4Confident67.3Low54 Ų5482.1 Ų82.145%0.44642%0.416SS..Hα-helixtrans-74.3-38.6177.800000111.7D27 E32 R33D27-A29 PolarHBondContact O-N 3.49Å; D27-A29 WeakPolarHBondContact OD1-CA 3.48Å; D27-A29 WeakPolarHBondContact OD1-CB 3.35Å; D27-A29 PolarHBondContact OD1-N 2.81Å; A29-E32 PolarHBondContact O-N 3.42Å; A29-R33 WeakPolarHBondContact O-CB 3.48Å; A29-R33 VanDerWaalsContact O-CG 3.32Å; A29-R33 WeakPolarHBondContact O-CG 3.42Å; A29-R33 PolarHBondContact O-N 3.44Å
30E72.9Confident68.3Low90 Ų9083.1 Ų83.142%0.42142%0.416SS..Hα-helixtrans-66.7-39.4173.6-72.3178.8135.900111.4L26 D27 E32 R33 L34L26-E30 VanDerWaalsContact CA-OE2 3.27Å; L26-E30 WeakPolarHBondContact CA-OE2 3.2Å; L26-E30 HydrophobicContact CB-CB 3.83Å; L26-E30 HydrophobicContact CD1-CB 4.49Å; L26-E30 HydrophobicContact CD2-CB 4.02Å; L26-E30 HydrophobicContact CG-CB 4.3Å; D27-E30 PolarHBondContact N-OE2 3.27Å; D27-E30 PolarHBondContact O-N 3.39Å; D27-E30 WeakPolarHBondContact OD1-CB 3.38Å; D27-E30 WeakPolarHBondContact OD1-CG 3.19Å; D27-E30 PolarHBondContact OD1-N 3.4Å; E30-E32 VanDerWaalsContact C-N 3.33Å; E30-R33 PolarHBondContact O-N 2.8Å; E30-L34 VanDerWaalsContact O-CB 3.28Å; E30-L34 WeakPolarHBondContact O-CB 3.44Å; E30-L34 PolarHBondContact O-N 2.8Å
31K68.5Low69Low68 Ų6886 Ų8630%0.29643%0.426SS..Hα-helixtrans-63.2-40.4172.5-73.1171.9-174.5149.40111.9L23 L26 D27 D28 K35L23-K31 WeakPolarHBondContact O-CE 3.35Å; L26-K31 HydrophobicContact CB-CG 3.83Å; L26-K31 WeakPolarHBondContact O-CE 3.34Å; L26-K31 PolarHBondContact O-NZ 2.92Å; L26-K31 VanDerWaalsContact O-NZ 3.09Å; D27-K31 WeakPolarHBondContact O-CG 3.04Å; D27-K31 PolarHBondContact O-N 3.28Å; D28-K31 IonicContact OD1-NZ 3.2Å; K31-K35 WeakPolarHBondContact O-CB 3.3Å; K31-K35 PolarHBondContact O-N 3.5Å
32E75.9Confident69.6Low123 Ų12381.5 Ų81.558%0.57540%0.402SS*.Hα-helixtrans-66.5-45.9176.7-173.5168.1-153.200111.3D28 A29 E30 L34 K35 D36D28-E32 WeakPolarHBondContact O-CB 3.33Å; D28-E32 PolarHBondContact O-N 2.72Å; A29-E32 PolarHBondContact O-N 3.42Å; E30-E32 VanDerWaalsContact C-N 3.33Å; E32-L34 VanDerWaalsContact C-N 3.34Å; E32-L34 PolarHBondContact O-N 2.83Å; E32-K35 WeakPolarHBondContact O-CB 3.4Å; E32-K35 PolarHBondContact O-N 2.94Å; E32-D36 PolarHBondContact O-N 3.37Å
33R74.2Confident70Confident180 Ų18080.3 Ų80.368%0.67939%0.391SS*.Hα-helixtrans-58.6-45.7173.2-74.4177.5-175.7-157.32.8112.2A29 E30 K35 D36 D37A29-R33 WeakPolarHBondContact O-CB 3.48Å; A29-R33 VanDerWaalsContact O-CG 3.32Å; A29-R33 WeakPolarHBondContact O-CG 3.42Å; A29-R33 PolarHBondContact O-N 3.44Å; E30-R33 PolarHBondContact O-N 2.8Å; R33-K35 VanDerWaalsContact C-N 3.3Å; R33-K35 PolarHBondContact O-N 2.81Å; R33-D36 PolarHBondContact O-N 3.11Å; R33-D36 VanDerWaalsContact O-N 3.13Å; R33-D37 WeakPolarHBondContact O-CB 3.35Å; R33-D37 PolarHBondContact O-N 3.17Å
34L69.8Low70.7Confident51 Ų5183 Ų8327%0.26740%0.403SS..Hα-helixtrans-63-40.6178.4-172.272000111.1F17 L23 L26 E30 E32 D36 F38F17-L34 HydrophobicContact CE1-CD1 4.34Å; F17-L34 HydrophobicContact CE1-CD2 4.42Å; F17-L34 HydrophobicContact CZ-CD1 4.12Å; L23-L34 HydrophobicContact CD2-CD2 3.24Å; L26-L34 HydrophobicContact CD1-CD2 3.96Å; E30-L34 VanDerWaalsContact O-CB 3.28Å; E30-L34 WeakPolarHBondContact O-CB 3.44Å; E30-L34 PolarHBondContact O-N 2.8Å; E32-L34 VanDerWaalsContact C-N 3.34Å; E32-L34 PolarHBondContact O-N 2.83Å; L34-D36 VanDerWaalsContact C-N 3.31Å; L34-D36 PolarHBondContact O-N 3.48Å; L34-F38 WeakPolarHBondContact O-CB 3.2Å; L34-F38 PolarHBondContact O-N 3.36Å
35K68.4Low70.9Confident70 Ų7083.7 Ų83.730%0.30441%0.405SS..Hα-helixtrans-58.8-44.7173.2-178.4-171.6173.2-169.70110.9K31 E32 R33 F38 V39 F69K31-K35 WeakPolarHBondContact O-CB 3.3Å; K31-K35 PolarHBondContact O-N 3.5Å; E32-K35 WeakPolarHBondContact O-CB 3.4Å; E32-K35 PolarHBondContact O-N 2.94Å; R33-K35 VanDerWaalsContact C-N 3.3Å; R33-K35 PolarHBondContact O-N 2.81Å; K35-F38 PolarHBondContact O-N 2.9Å; K35-V39 HydrophobicContact CG-CG2 4.41Å; K35-V39 WeakPolarHBondContact O-CB 3.35Å; K35-V39 WeakPolarHBondContact O-CG2 3.37Å; K35-V39 PolarHBondContact O-N 3.08Å; K35-F69 HydrophobicContact CB-CD2 3.97Å; K35-F69 HydrophobicContact CB-CE1 4.27Å; K35-F69 HydrophobicContact CB-CE2 3.53Å; K35-F69 HydrophobicContact CB-CZ 3.7Å; K35-F69 HydrophobicContact CD-CD1 3.8Å; K35-F69 HydrophobicContact CD-CD2 4.34Å; K35-F69 HydrophobicContact CD-CE1 3.78Å; K35-F69 HydrophobicContact CD-CE2 4.37Å; K35-F69 HydrophobicContact CD-CG 4.07Å; K35-F69 HydrophobicContact CD-CZ 4.09Å; K35-F69 HydrophobicContact CG-CD1 4.09Å; K35-F69 HydrophobicContact CG-CD2 3.71Å; K35-F69 HydrophobicContact CG-CE1 4.13Å; K35-F69 HydrophobicContact CG-CE2 3.8Å; K35-F69 HydrophobicContact CG-CG 3.86Å; K35-F69 HydrophobicContact CG-CZ 4Å
36D74.3Confident70.7Confident92 Ų9275.9 Ų75.949%0.49237%0.371SS..Hα-helixtrans-67.9-46.4-178.9-74-14.5000112E32 R33 L34 F38 V39 K40E32-D36 PolarHBondContact O-N 3.37Å; R33-D36 PolarHBondContact O-N 3.11Å; R33-D36 VanDerWaalsContact O-N 3.13Å; L34-D36 VanDerWaalsContact C-N 3.31Å; L34-D36 PolarHBondContact O-N 3.48Å; D36-F38 VanDerWaalsContact C-N 3.25Å; D36-F38 PolarHBondContact O-N 3.13Å; D36-V39 PolarHBondContact O-N 3.36Å; D36-K40 VanDerWaalsContact O-CB 3.29Å; D36-K40 WeakPolarHBondContact O-CB 3.34Å; D36-K40 PolarHBondContact O-N 2.84Å
37D71.8Confident70.6Confident104 Ų10481.3 Ų81.356%0.55639%0.394SS*.Hα-helixtrans-58.5-42.3174.9-74.7-20.6000110.7R33 K40 E41R33-D37 WeakPolarHBondContact O-CB 3.35Å; R33-D37 PolarHBondContact O-N 3.17Å; D37-K40 WeakPolarHBondContact O-CB 3.43Å; D37-K40 PolarHBondContact O-N 3.35Å; D37-E41 PolarHBondContact O-N 2.91Å
38F68.8Low70.2Confident31 Ų3184 Ų8414%0.13640%0.401CS..Hα-helixtrans-67.1-47.1178-179.1-107.8000112.9F9 I13 L34 K35 D36 K40 E41 I42 I68 L72F9-F38 HydrophobicContact CD1-CE2 4.29Å; F9-F38 AromaticContact CD1-CZ 3.84Å; F9-F38 HydrophobicContact CD1-CZ 3.84Å; F9-F38 HydrophobicContact CE1-CD2 4.29Å; F9-F38 AromaticContact CE1-CE1 3.73Å; F9-F38 HydrophobicContact CE1-CE1 3.73Å; F9-F38 AromaticContact CE1-CE2 3.24Å; F9-F38 HydrophobicContact CE1-CE2 3.24Å; F9-F38 AromaticContact CE1-CZ 2.93Å; F9-F38 HydrophobicContact CE1-CZ 2.93Å; F9-F38 HydrophobicContact CE2-CE2 4.27Å; F9-F38 AromaticContact CZ-CD2 3.96Å; F9-F38 HydrophobicContact CZ-CD2 3.96Å; F9-F38 HydrophobicContact CZ-CE1 4.31Å; F9-F38 AromaticContact CZ-CE2 3.16Å; F9-F38 HydrophobicContact CZ-CE2 3.16Å; F9-F38 AromaticContact CZ-CZ 3.44Å; F9-F38 HydrophobicContact CZ-CZ 3.44Å; F9-F38 VanDerWaalsContact CZ-CZ 3.44Å; I13-F38 HydrophobicContact CD1-CD2 4.48Å; I13-F38 HydrophobicContact CD1-CE1 4.46Å; I13-F38 HydrophobicContact CD1-CE2 3.21Å; I13-F38 HydrophobicContact CD1-CZ 3.18Å; I13-F38 HydrophobicContact CG1-CE2 3.62Å; I13-F38 HydrophobicContact CG1-CZ 4.13Å; L34-F38 WeakPolarHBondContact O-CB 3.2Å; L34-F38 PolarHBondContact O-N 3.36Å; K35-F38 PolarHBondContact O-N 2.9Å; D36-F38 VanDerWaalsContact C-N 3.25Å; D36-F38 PolarHBondContact O-N 3.13Å; F38-K40 PolarHBondContact O-N 3.32Å; F38-E41 PolarHBondContact O-N 3.45Å; F38-I42 HydrophobicContact CD1-CD1 3.63Å; F38-I42 HydrophobicContact CE1-CD1 3.47Å; F38-I42 VanDerWaalsContact CE1-CD1 3.47Å; F38-I42 HydrophobicContact CE2-CD1 4.35Å; F38-I42 HydrophobicContact CG-CD1 4.19Å; F38-I42 HydrophobicContact CZ-CD1 3.89Å; F38-I42 WeakPolarHBondContact O-CD1 3.14Å; F38-I42 WeakPolarHBondContact O-CG1 3.02Å; F38-I42 PolarHBondContact O-N 2.83Å; F38-I68 HydrophobicContact CE1-CG2 4.06Å; F38-I68 HydrophobicContact CZ-CG2 4.35Å; F38-L72 HydrophobicContact CE1-CD1 3.7Å; F38-L72 HydrophobicContact CZ-CD1 3.53Å
39V69.7Low69.2Low33 Ų3380.2 Ų80.220%0.238%0.381CS..Hα-helixtrans-60.6-37.6174.7167.60000110.4K35 D36 N43 F65K35-V39 HydrophobicContact CG-CG2 4.41Å; K35-V39 WeakPolarHBondContact O-CB 3.35Å; K35-V39 WeakPolarHBondContact O-CG2 3.37Å; K35-V39 PolarHBondContact O-N 3.08Å; D36-V39 PolarHBondContact O-N 3.36Å; V39-N43 VanDerWaalsContact CG1-ND2 3.34Å; V39-N43 WeakPolarHBondContact CG1-ND2 3.28Å; V39-N43 WeakPolarHBondContact O-CB 3.45Å; V39-N43 VanDerWaalsContact O-CG 3.25Å; V39-N43 PolarHBondContact O-N 2.97Å; V39-N43 PolarHBondContact O-ND2 2.88Å; V39-F65 HydrophobicContact CG1-CD2 4.33Å; V39-F65 HydrophobicContact CG2-CB 4.09Å
40K71Confident68.6Low121 Ų12180.7 Ų80.753%0.52638%0.379SS..Hα-helixtrans-63.3-52175.7-177-174171.8-165.50111.3D36 D37 F38 I42 N43 E44D36-K40 VanDerWaalsContact O-CB 3.29Å; D36-K40 WeakPolarHBondContact O-CB 3.34Å; D36-K40 PolarHBondContact O-N 2.84Å; D37-K40 WeakPolarHBondContact O-CB 3.43Å; D37-K40 PolarHBondContact O-N 3.35Å; F38-K40 PolarHBondContact O-N 3.32Å; K40-I42 VanDerWaalsContact C-N 3.31Å; K40-I42 PolarHBondContact O-N 3.31Å; K40-N43 WeakPolarHBondContact O-CB 3.48Å; K40-N43 PolarHBondContact O-N 2.99Å; K40-N43 VanDerWaalsContact O-N 3.08Å; K40-E44 WeakPolarHBondContact CE-OE1 3.26Å; K40-E44 WeakPolarHBondContact O-CG 3.26Å; K40-E44 PolarHBondContact O-N 3.37Å
41E68.7Low67.9Low103 Ų10381.6 Ų81.648%0.48139%0.393SS..Hα-helixtrans-58.6-44.4-179.7-164.468.2-164.500111.2D37 F38 N43 E44 E45D37-E41 PolarHBondContact O-N 2.91Å; F38-E41 PolarHBondContact O-N 3.45Å; E41-N43 PolarHBondContact O-N 2.81Å; E41-E44 PolarHBondContact O-N 3.49Å; E41-E44 VanDerWaalsContact O-N 3.17Å; E41-E45 PolarHBondContact O-N 3.32Å
42I66.5Low67.4Low2 Ų282.6 Ų82.61%0.0141%0.408CS..Hα-helixtrans-60.9-46.5175.2-63.3161.9000110.8F9 F38 K40 E44 E45 L46 F65F9-I42 HydrophobicContact CD1-CD1 4.46Å; F9-I42 HydrophobicContact CE1-CD1 3.33Å; F9-I42 HydrophobicContact CE1-CG1 3.44Å; F9-I42 VanDerWaalsContact CE1-CG1 3.44Å; F9-I42 HydrophobicContact CE2-CG1 4.04Å; F9-I42 HydrophobicContact CZ-CD1 3.59Å; F9-I42 HydrophobicContact CZ-CG1 3.15Å; F38-I42 HydrophobicContact CD1-CD1 3.63Å; F38-I42 HydrophobicContact CE1-CD1 3.47Å; F38-I42 VanDerWaalsContact CE1-CD1 3.47Å; F38-I42 HydrophobicContact CE2-CD1 4.35Å; F38-I42 HydrophobicContact CG-CD1 4.19Å; F38-I42 HydrophobicContact CZ-CD1 3.89Å; F38-I42 WeakPolarHBondContact O-CD1 3.14Å; F38-I42 WeakPolarHBondContact O-CG1 3.02Å; F38-I42 PolarHBondContact O-N 2.83Å; K40-I42 VanDerWaalsContact C-N 3.31Å; K40-I42 PolarHBondContact O-N 3.31Å; I42-E44 PolarHBondContact O-N 3.01Å; I42-E45 PolarHBondContact O-N 3.17Å; I42-L46 HydrophobicContact CG2-CD1 3.43Å; I42-L46 VanDerWaalsContact CG2-CD1 3.43Å; I42-L46 HydrophobicContact CG2-CG 3.89Å; I42-L46 WeakPolarHBondContact O-CB 3.27Å; I42-L46 WeakPolarHBondContact O-CD1 3.43Å; I42-L46 WeakPolarHBondContact O-CG 3.32Å; I42-L46 PolarHBondContact O-N 3.45Å; I42-F65 HydrophobicContact CB-CE1 4.25Å; I42-F65 HydrophobicContact CD1-CD1 4.26Å; I42-F65 HydrophobicContact CD1-CE1 4.45Å; I42-F65 HydrophobicContact CG2-CD1 4.18Å; I42-F65 HydrophobicContact CG2-CE1 3.35Å; I42-F65 HydrophobicContact CG2-CZ 3.92Å
43N65Low66.2Low40 Ų4080.7 Ų80.721%0.21440%0.4CS..Hα-helixtrans-62.1-33.2178.7-79.2-51.9000111.9V39 K40 E41 K47 F65V39-N43 VanDerWaalsContact CG1-ND2 3.34Å; V39-N43 WeakPolarHBondContact CG1-ND2 3.28Å; V39-N43 WeakPolarHBondContact O-CB 3.45Å; V39-N43 VanDerWaalsContact O-CG 3.25Å; V39-N43 PolarHBondContact O-N 2.97Å; V39-N43 PolarHBondContact O-ND2 2.88Å; K40-N43 WeakPolarHBondContact O-CB 3.48Å; K40-N43 PolarHBondContact O-N 2.99Å; K40-N43 VanDerWaalsContact O-N 3.08Å; E41-N43 PolarHBondContact O-N 2.81Å; N43-K47 WeakPolarHBondContact O-CG 3.2Å; N43-K47 PolarHBondContact O-N 3.28Å; N43-K47 VanDerWaalsContact O-N 3.11Å; N43-F65 VanDerWaalsContact OD1-CE2 3.31Å; N43-F65 WeakPolarHBondContact OD1-CE2 3.09Å
44E71.2Confident64.9Low80 Ų8075.6 Ų75.637%0.37438%0.383SS..Hα-helixtrans-70.3-45.2174.4-70.8-174.8-172.100112K40 E41 I42 L46 K47 K48K40-E44 WeakPolarHBondContact CE-OE1 3.26Å; K40-E44 WeakPolarHBondContact O-CG 3.26Å; K40-E44 PolarHBondContact O-N 3.37Å; E41-E44 PolarHBondContact O-N 3.49Å; E41-E44 VanDerWaalsContact O-N 3.17Å; I42-E44 PolarHBondContact O-N 3.01Å; E44-L46 PolarHBondContact O-N 3.18Å; E44-K47 WeakPolarHBondContact O-CB 3.29Å; E44-K47 PolarHBondContact O-N 2.82Å; E44-K48 PolarHBondContact O-N 3.32Å
45E63Low63.7Low84 Ų8477.5 Ų77.539%0.39340%0.401SS..Hα-helixtrans-62.6-41.6174.2-74.3-58.1140.300112.3E41 I42 K47 K48 L49E41-E45 PolarHBondContact O-N 3.32Å; I42-E45 PolarHBondContact O-N 3.17Å; E45-K47 VanDerWaalsContact C-N 3.29Å; E45-K47 PolarHBondContact O-N 3.24Å; E45-K48 VanDerWaalsContact O-CB 3.3Å; E45-K48 WeakPolarHBondContact O-CB 3.26Å; E45-K48 PolarHBondContact O-N 2.76Å; E45-K48 IonicContact OE1-NZ 3.96Å; E45-K48 PolarHBondContact OE1-NZ 2.76Å; E45-K48 IonicContact OE2-NZ 2.64Å; E45-L49 PolarHBondContact O-N 2.97Å
46L62.6Low62.5Low16 Ų1677.5 Ų77.58%0.08440%0.403CS..Hα-helixtrans-67.5-29.6177.5-66.5168.6000112.6F5 I42 E44 K48 L49 H54 F57 F65F5-L46 HydrophobicContact CE1-CD2 4.36Å; F5-L46 HydrophobicContact CE2-CD2 4.22Å; F5-L46 HydrophobicContact CZ-CD2 3.8Å; I42-L46 HydrophobicContact CG2-CD1 3.43Å; I42-L46 VanDerWaalsContact CG2-CD1 3.43Å; I42-L46 HydrophobicContact CG2-CG 3.89Å; I42-L46 WeakPolarHBondContact O-CB 3.27Å; I42-L46 WeakPolarHBondContact O-CD1 3.43Å; I42-L46 WeakPolarHBondContact O-CG 3.32Å; I42-L46 PolarHBondContact O-N 3.45Å; E44-L46 PolarHBondContact O-N 3.18Å; L46-K48 PolarHBondContact O-N 3.36Å; L46-L49 HydrophobicContact CD2-CD1 3.64Å; L46-L49 WeakPolarHBondContact O-CB 3.46Å; L46-L49 PolarHBondContact O-N 3.47Å; L46-H54 PolarHBondContact O-CE1 2.7Å; L46-F57 HydrophobicContact CB-CE1 4.37Å; L46-F57 HydrophobicContact CB-CZ 4.26Å; L46-F57 HydrophobicContact CD1-CE1 3.87Å; L46-F57 HydrophobicContact CD1-CZ 4.4Å; L46-F57 HydrophobicContact CD2-CE1 4.18Å; L46-F57 HydrophobicContact CD2-CZ 3.94Å; L46-F57 HydrophobicContact CG-CE1 4.37Å; L46-F57 HydrophobicContact CG-CZ 4.41Å; L46-F65 HydrophobicContact CD1-CE1 3.92Å; L46-F65 HydrophobicContact CD1-CZ 3.53Å
47K66.6Low61.3Low146 Ų14675.4 Ų75.464%0.63539%0.39SS*.Hα-helixtrans-66.9-25.8170.9-77.7168.6-175176.30112.3N43 E44 E45 L49N43-K47 WeakPolarHBondContact O-CG 3.2Å; N43-K47 PolarHBondContact O-N 3.28Å; N43-K47 VanDerWaalsContact O-N 3.11Å; E44-K47 WeakPolarHBondContact O-CB 3.29Å; E44-K47 PolarHBondContact O-N 2.82Å; E45-K47 VanDerWaalsContact C-N 3.29Å; E45-K47 PolarHBondContact O-N 3.24Å; K47-L49 VanDerWaalsContact C-N 3.25Å
48K68.9Low60Low143 Ų14375.8 Ų75.862%0.62240%0.401SS*.Hα-helixtrans-73.9-19.5174.4-59.9173.1-170.6173.50111.8E44 E45 L46E44-K48 PolarHBondContact O-N 3.32Å; E45-K48 VanDerWaalsContact O-CB 3.3Å; E45-K48 WeakPolarHBondContact O-CB 3.26Å; E45-K48 PolarHBondContact O-N 2.76Å; E45-K48 IonicContact OE1-NZ 3.96Å; E45-K48 PolarHBondContact OE1-NZ 2.76Å; E45-K48 IonicContact OE2-NZ 2.64Å; L46-K48 PolarHBondContact O-N 3.36Å
49L57Low59Low54 Ų5479.2 Ų79.228%0.28342%0.417SS..SBendtrans-66.3141.1176.4-63.9175.6000110.6E45 L46 K47 H54E45-L49 PolarHBondContact O-N 2.97Å; L46-L49 HydrophobicContact CD2-CD1 3.64Å; L46-L49 WeakPolarHBondContact O-CB 3.46Å; L46-L49 PolarHBondContact O-N 3.47Å; K47-L49 VanDerWaalsContact C-N 3.25Å; L49-H54 PolarHBondContact O-CE1 3.5Å
50P64.9Low58.2Low64 Ų6481.5 Ų81.542%0.41643%0.433SS..  trans-59.4147.9178.623.3-31.8000110.9S52 E53P50-S52 PolarHBondContact O-N 3.23Å; P50-E53 HydrophobicContact CG-CG 4.45Å; P50-E53 PolarHBondContact O-N 3.44Å
51P59.2Low57.2Low108 Ų10881.6 Ų81.670%0.70143%0.43SS*.G310 helixtrans-55.8-21.8179.5-25.132.9000114.1E53 H54P51-E53 PolarHBondContact O-N 3.26Å; P51-H54 VanDerWaalsContact O-CB 3.31Å; P51-H54 WeakPolarHBondContact O-CB 3.4Å; P51-H54 PolarHBondContact O-N 2.88Å
52S58.1Low56.1Low90 Ų9084.6 Ų84.663%0.62944%0.444SS*.G310 helixtrans-56.3-31.6173.250.70000112.8P50 S55P50-S52 PolarHBondContact O-N 3.23Å; S52-S55 PolarHBondContact O-OG 3.31Å
53E49.7Very low55.3Low83 Ų8392 Ų9239%0.38848%0.476SS..G310 helixtrans-90.8-12177-61.8-174.5-169.100112.6P50 P51 S55 I56 F57P50-E53 HydrophobicContact CG-CG 4.45Å; P50-E53 PolarHBondContact O-N 3.44Å; P51-E53 PolarHBondContact O-N 3.26Å; E53-S55 PolarHBondContact O-N 2.85Å; E53-I56 PolarHBondContact O-N 2.86Å; E53-F57 WeakPolarHBondContact O-CD2 3.49Å; E53-F57 WeakPolarHBondContact O-CE2 2.98Å
54H47.4Very low54.4Low73 Ų7393.8 Ų93.834%0.33848%0.479SS..G310 helixtrans-67.1-16.4177.2-76.132000113.8L46 L49 P51 I56 F57L46-H54 PolarHBondContact O-CE1 2.7Å; L49-H54 PolarHBondContact O-CE1 3.5Å; P51-H54 VanDerWaalsContact O-CB 3.31Å; P51-H54 WeakPolarHBondContact O-CB 3.4Å; P51-H54 PolarHBondContact O-N 2.88Å; H54-I56 PolarHBondContact O-N 2.95Å; H54-I56 VanDerWaalsContact O-N 3.17Å; H54-F57 HydrophobicContact CB-CD2 4.33Å; H54-F57 VanDerWaalsContact O-CD2 3.29Å; H54-F57 WeakPolarHBondContact O-CD2 3.42Å; H54-F57 PolarHBondContact O-N 3.45Å
55S44.9Very low53.4Low90 Ų9090.9 Ų90.963%0.62947%0.466SS*.G310 helixtrans-61.8-20.3178.248.70000113.4S52 E53S52-S55 PolarHBondContact O-OG 3.31Å; E53-S55 PolarHBondContact O-N 2.85Å
56I43.7Very low52.9Low71 Ų7189 Ų8936%0.36446%0.462SS..G310 helixtrans-91.22.9-178.6-43.9169.3000112.8H2 E53 H54 R64H2-I56 WeakPolarHBondContact CE1-CG2 3.4Å; H2-I56 WeakPolarHBondContact NE2-CG2 3.28Å; E53-I56 PolarHBondContact O-N 2.86Å; H54-I56 PolarHBondContact O-N 2.95Å; H54-I56 VanDerWaalsContact O-N 3.17Å; I56-R64 PolarHBondContact O-NH1 3.3Å; I56-R64 PolarHBondContact O-NH2 3Å
57F48.6Very low52.5Low48 Ų4893.9 Ų93.921%0.21148%0.482CS..  trans-96.118.7-175.9-64.7-94000114.5L46 E53 H54 E59 R61L46-F57 HydrophobicContact CB-CE1 4.37Å; L46-F57 HydrophobicContact CB-CZ 4.26Å; L46-F57 HydrophobicContact CD1-CE1 3.87Å; L46-F57 HydrophobicContact CD1-CZ 4.4Å; L46-F57 HydrophobicContact CD2-CE1 4.18Å; L46-F57 HydrophobicContact CD2-CZ 3.94Å; L46-F57 HydrophobicContact CG-CE1 4.37Å; L46-F57 HydrophobicContact CG-CZ 4.41Å; E53-F57 WeakPolarHBondContact O-CD2 3.49Å; E53-F57 WeakPolarHBondContact O-CE2 2.98Å; H54-F57 HydrophobicContact CB-CD2 4.33Å; H54-F57 VanDerWaalsContact O-CD2 3.29Å; H54-F57 WeakPolarHBondContact O-CD2 3.42Å; H54-F57 PolarHBondContact O-N 3.45Å; F57-E59 PolarHBondContact O-N 2.88Å; F57-R61 HydrophobicContact CD1-CG 4.28Å
58S44.1Very low51.8Low112 Ų11287.4 Ų87.478%0.78346%0.455SS*.  trans-71.8-10.817840.80000114.3
59E47.3Very low51.1Low102 Ų10282 Ų8248%0.47743%0.431SS..SBendtrans-84.1146.4166.8-77.1-176.3156.200111F57 R61 R64F57-E59 PolarHBondContact O-N 2.88Å; E59-R61 PolarHBondContact O-N 3.36Å; E59-R64 IonicContact OE2-CZ 2.79Å; E59-R64 IonicContact OE2-NE 3.79Å; E59-R64 PolarHBondContact OE2-NE 2.91Å; E59-R64 IonicContact OE2-NH2 2.78Å; E59-R64 PolarHBondContact OE2-NH2 2.94Å
60P53.4Low51.2Low81 Ų8182.7 Ų82.753%0.52644%0.435SS..  trans-56.5109179.9-10.418.5000108.6Q62 K63P60-Q62 PolarHBondContact O-N 3.19Å; P60-K63 HydrophobicContact CG-CD 4.35Å; P60-K63 WeakPolarHBondContact O-CB 3.36Å; P60-K63 PolarHBondContact O-N 2.84Å
61R50.3Low50.7Low124 Ų12483.2 Ų83.247%0.46843%0.431SS..Hα-helixtrans-46.7-36.1-173.6-73.4-178.5-155.9171.95.5112.9F57 E59 K63 R64 F65F57-R61 HydrophobicContact CD1-CG 4.28Å; E59-R61 PolarHBondContact O-N 3.36Å; R61-K63 VanDerWaalsContact C-N 3.3Å; R61-K63 PolarHBondContact O-N 2.92Å; R61-R64 PolarHBondContact O-N 2.84Å; R61-F65 HydrophobicContact CB-CD2 4.26Å; R61-F65 HydrophobicContact CB-CE2 3.81Å; R61-F65 WeakPolarHBondContact O-CD2 3.48Å; R61-F65 PolarHBondContact O-N 3.42Å; R61-F65 VanDerWaalsContact O-N 3.17Å
62Q45.3Very low50.4Low166 Ų16678.6 Ų78.678%0.77640%0.401SS*.Hα-helixtrans-55.6-38.2175.8-71.7-179.2-15.200113.8P60 F65 S66P60-Q62 PolarHBondContact O-N 3.19Å; Q62-F65 PolarHBondContact O-N 2.89Å; Q62-S66 PolarHBondContact O-N 3.42Å
63K49.9Very low50.1Low156 Ų15679.6 Ų79.668%0.67839%0.394SS*.Hα-helixtrans-67.7-40.3-179.6-72.2-169.7176.5-176.20112.3P60 R61 F67P60-K63 HydrophobicContact CG-CD 4.35Å; P60-K63 WeakPolarHBondContact O-CB 3.36Å; P60-K63 PolarHBondContact O-N 2.84Å; R61-K63 VanDerWaalsContact C-N 3.3Å; R61-K63 PolarHBondContact O-N 2.92Å; K63-F67 PolarHBondContact O-N 2.78Å
64R45.9Very low50.2Low78 Ų7881 Ų8129%0.29440%0.404SS..Hα-helixtrans-70.8-35.3178-70.3-172.6-178.31703112.3I56 E59 R61 F67 I68I56-R64 PolarHBondContact O-NH1 3.3Å; I56-R64 PolarHBondContact O-NH2 3Å; E59-R64 IonicContact OE2-CZ 2.79Å; E59-R64 IonicContact OE2-NE 3.79Å; E59-R64 PolarHBondContact OE2-NE 2.91Å; E59-R64 IonicContact OE2-NH2 2.78Å; E59-R64 PolarHBondContact OE2-NH2 2.94Å; R61-R64 PolarHBondContact O-N 2.84Å; R64-F67 WeakPolarHBondContact O-CB 3.44Å; R64-F67 PolarHBondContact O-N 2.87Å; R64-I68 PolarHBondContact O-N 2.64Å
65F50Low50.1Low19 Ų1981.2 Ų81.28%0.08341%0.406CS..Hα-helixtrans-74.1-34.5176-62.2-52.1000112.9V39 I42 N43 L46 R61 Q62 F67 I68 F69V39-F65 HydrophobicContact CG1-CD2 4.33Å; V39-F65 HydrophobicContact CG2-CB 4.09Å; I42-F65 HydrophobicContact CB-CE1 4.25Å; I42-F65 HydrophobicContact CD1-CD1 4.26Å; I42-F65 HydrophobicContact CD1-CE1 4.45Å; I42-F65 HydrophobicContact CG2-CD1 4.18Å; I42-F65 HydrophobicContact CG2-CE1 3.35Å; I42-F65 HydrophobicContact CG2-CZ 3.92Å; N43-F65 VanDerWaalsContact OD1-CE2 3.31Å; N43-F65 WeakPolarHBondContact OD1-CE2 3.09Å; L46-F65 HydrophobicContact CD1-CE1 3.92Å; L46-F65 HydrophobicContact CD1-CZ 3.53Å; R61-F65 HydrophobicContact CB-CD2 4.26Å; R61-F65 HydrophobicContact CB-CE2 3.81Å; R61-F65 WeakPolarHBondContact O-CD2 3.48Å; R61-F65 PolarHBondContact O-N 3.42Å; R61-F65 VanDerWaalsContact O-N 3.17Å; Q62-F65 PolarHBondContact O-N 2.89Å; F65-F67 PolarHBondContact O-N 2.9Å; F65-I68 HydrophobicContact CD1-CD1 4.24Å; F65-I68 PolarHBondContact O-N 3.09Å; F65-F69 WeakPolarHBondContact O-CB 3.34Å; F65-F69 PolarHBondContact O-N 2.84Å
66S52.4Low50.2Low44 Ų4479 Ų7931%0.30839%0.387SS..Hα-helixtrans-55-47.9165.5-163.20000109.1Q62 I68 F69 D70Q62-S66 PolarHBondContact O-N 3.42Å; S66-I68 PolarHBondContact O-N 3.34Å; S66-F69 CarbonylContact O-C 3.55Å; S66-F69 PolarHBondContact O-N 2.74Å; S66-F69 VanDerWaalsContact O-N 3.17Å; S66-D70 VanDerWaalsContact C-OD2 3.3Å; S66-D70 WeakPolarHBondContact O-CB 3.19Å; S66-D70 PolarHBondContact O-N 3.29Å; S66-D70 PolarHBondContact OG-OD2 2.94Å
67F55Low50.2Low119 Ų11984.5 Ų84.552%0.52240%0.403SS..Hα-helixtrans-58.7-43.9177.3-179.1-92.6000113.6K63 R64 F65 F69 D70 F71K63-F67 PolarHBondContact O-N 2.78Å; R64-F67 WeakPolarHBondContact O-CB 3.44Å; R64-F67 PolarHBondContact O-N 2.87Å; F65-F67 PolarHBondContact O-N 2.9Å; F67-F69 VanDerWaalsContact C-N 3.35Å; F67-D70 PolarHBondContact O-N 3.3Å; F67-F71 HydrophobicContact CE1-CB 4.34Å; F67-F71 WeakPolarHBondContact O-CA 3.4Å; F67-F71 WeakPolarHBondContact O-CB 3.49Å; F67-F71 PolarHBondContact O-N 3.17Å
68I52.4Low49.6Very low10 Ų1090.1 Ų90.15%0.05143%0.434CS..Hα-helixtrans-64-42.7177.3-66.7171.5000110.5I6 F9 F38 R64 F65 S66 F71 L72I6-I68 HydrophobicContact CG1-CD1 4.39Å; I6-I68 HydrophobicContact CG1-CG1 4.35Å; F9-I68 HydrophobicContact CD1-CG2 4.49Å; F38-I68 HydrophobicContact CE1-CG2 4.06Å; F38-I68 HydrophobicContact CZ-CG2 4.35Å; R64-I68 PolarHBondContact O-N 2.64Å; F65-I68 HydrophobicContact CD1-CD1 4.24Å; F65-I68 PolarHBondContact O-N 3.09Å; S66-I68 PolarHBondContact O-N 3.34Å; I68-F71 PolarHBondContact O-N 3.43Å; I68-L72 HydrophobicContact CG2-CD1 4.06Å; I68-L72 WeakPolarHBondContact O-CB 3.41Å; I68-L72 VanDerWaalsContact O-CG 3.26Å; I68-L72 WeakPolarHBondContact O-CG 3.31Å; I68-L72 PolarHBondContact O-N 3.21Å
69F54.1Low49.8Very low30 Ų3089 Ų8913%0.13242%0.416CS..Hα-helixtrans-69.5-36.8177.7-169.2-103.9000112.5K35 F65 S66 F67 L72 K73K35-F69 HydrophobicContact CB-CD2 3.97Å; K35-F69 HydrophobicContact CB-CE1 4.27Å; K35-F69 HydrophobicContact CB-CE2 3.53Å; K35-F69 HydrophobicContact CB-CZ 3.7Å; K35-F69 HydrophobicContact CD-CD1 3.8Å; K35-F69 HydrophobicContact CD-CD2 4.34Å; K35-F69 HydrophobicContact CD-CE1 3.78Å; K35-F69 HydrophobicContact CD-CE2 4.37Å; K35-F69 HydrophobicContact CD-CG 4.07Å; K35-F69 HydrophobicContact CD-CZ 4.09Å; K35-F69 HydrophobicContact CG-CD1 4.09Å; K35-F69 HydrophobicContact CG-CD2 3.71Å; K35-F69 HydrophobicContact CG-CE1 4.13Å; K35-F69 HydrophobicContact CG-CE2 3.8Å; K35-F69 HydrophobicContact CG-CG 3.86Å; K35-F69 HydrophobicContact CG-CZ 4Å; F65-F69 WeakPolarHBondContact O-CB 3.34Å; F65-F69 PolarHBondContact O-N 2.84Å; S66-F69 CarbonylContact O-C 3.55Å; S66-F69 PolarHBondContact O-N 2.74Å; S66-F69 VanDerWaalsContact O-N 3.17Å; F67-F69 VanDerWaalsContact C-N 3.35Å; F69-L72 PolarHBondContact O-N 2.82Å; F69-K73 HydrophobicContact CD1-CD 4.09Å; F69-K73 HydrophobicContact CD1-CG 4.39Å; F69-K73 HydrophobicContact CE1-CD 3.91Å; F69-K73 HydrophobicContact CE1-CG 4.23Å; F69-K73 WeakPolarHBondContact O-CB 3.08Å; F69-K73 WeakPolarHBondContact O-CG 3.22Å; F69-K73 PolarHBondContact O-N 3.36Å
70D58Low50Low69 Ų6988.3 Ų88.337%0.36941%0.413SS..Hα-helixtrans-69.8-34.8175-67.1-32.8000110.7S66 F67 K73 N74S66-D70 VanDerWaalsContact C-OD2 3.3Å; S66-D70 WeakPolarHBondContact O-CB 3.19Å; S66-D70 PolarHBondContact O-N 3.29Å; S66-D70 PolarHBondContact OG-OD2 2.94Å; F67-D70 PolarHBondContact O-N 3.3Å; D70-K73 WeakPolarHBondContact O-CB 3.22Å; D70-K73 PolarHBondContact O-N 3Å; D70-N74 WeakPolarHBondContact O-CB 3.36Å; D70-N74 PolarHBondContact O-N 3.28Å
71F55.6Low49.8Very low74 Ų7488.7 Ų88.733%0.32541%0.407SS..Hα-helixtrans-70.2-44.1173.2-177.3-108.1000111I6 F67 I68 N74 I75I6-F71 HydrophobicContact CG2-CD1 4.17Å; I6-F71 HydrophobicContact CG2-CE1 4.15Å; F67-F71 HydrophobicContact CE1-CB 4.34Å; F67-F71 WeakPolarHBondContact O-CA 3.4Å; F67-F71 WeakPolarHBondContact O-CB 3.49Å; F67-F71 PolarHBondContact O-N 3.17Å; I68-F71 PolarHBondContact O-N 3.43Å; F71-N74 CarbonylContact O-C 3.57Å; F71-N74 PolarHBondContact O-N 3.04Å; F71-I75 HydrophobicContact CD1-CD1 3.61Å; F71-I75 HydrophobicContact CD1-CG1 4.42Å; F71-I75 HydrophobicContact CE1-CD1 3.13Å; F71-I75 HydrophobicContact CE1-CG1 4.17Å; F71-I75 HydrophobicContact CE2-CD1 4.2Å; F71-I75 HydrophobicContact CE2-CG1 4.47Å; F71-I75 HydrophobicContact CG-CD1 4.33Å; F71-I75 HydrophobicContact CZ-CD1 3.47Å; F71-I75 VanDerWaalsContact CZ-CD1 3.47Å; F71-I75 HydrophobicContact CZ-CG1 4.18Å; F71-I75 WeakPolarHBondContact O-CG1 3.27Å; F71-I75 PolarHBondContact O-N 3.2Å
72L51.5Low49.7Very low12 Ų1286.6 Ų86.66%0.06340%0.403CS..Hα-helixtrans-59.9-47170.5-75166.7000110.2T10 I13 F38 I68 F69 N74 I75 L76T10-L72 HydrophobicContact CG2-CD2 4Å; I13-L72 HydrophobicContact CD1-CD1 3.69Å; I13-L72 HydrophobicContact CD1-CD2 3.87Å; I13-L72 HydrophobicContact CD1-CG 4.41Å; I13-L72 HydrophobicContact CG2-CD2 4.5Å; F38-L72 HydrophobicContact CE1-CD1 3.7Å; F38-L72 HydrophobicContact CZ-CD1 3.53Å; I68-L72 HydrophobicContact CG2-CD1 4.06Å; I68-L72 WeakPolarHBondContact O-CB 3.41Å; I68-L72 VanDerWaalsContact O-CG 3.26Å; I68-L72 WeakPolarHBondContact O-CG 3.31Å; I68-L72 PolarHBondContact O-N 3.21Å; F69-L72 PolarHBondContact O-N 2.82Å; L72-N74 VanDerWaalsContact C-N 3.3Å; L72-N74 PolarHBondContact O-N 3.21Å; L72-I75 PolarHBondContact O-N 2.85Å; L72-L76 HydrophobicContact CB-CD1 4.28Å; L72-L76 WeakPolarHBondContact O-CB 3.49Å; L72-L76 WeakPolarHBondContact O-CD1 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.46Å; L72-L76 PolarHBondContact O-N 3.24Å
73K52Low50Low111 Ų11181.7 Ų81.748%0.48338%0.38SS..Hα-helixtrans-54-47.1172.1-86-178.4163.6178.20111.2F69 D70 L76 R77F69-K73 HydrophobicContact CD1-CD 4.09Å; F69-K73 HydrophobicContact CD1-CG 4.39Å; F69-K73 HydrophobicContact CE1-CD 3.91Å; F69-K73 HydrophobicContact CE1-CG 4.23Å; F69-K73 WeakPolarHBondContact O-CB 3.08Å; F69-K73 WeakPolarHBondContact O-CG 3.22Å; F69-K73 PolarHBondContact O-N 3.36Å; D70-K73 WeakPolarHBondContact O-CB 3.22Å; D70-K73 PolarHBondContact O-N 3Å; K73-L76 PolarHBondContact O-N 3.32Å; K73-R77 VanDerWaalsContact O-CB 3.26Å; K73-R77 WeakPolarHBondContact O-CB 3.3Å; K73-R77 PolarHBondContact O-N 2.93Å
74N51.3Low50Low112 Ų11276.7 Ų76.760%0.59936%0.36SS*.Hα-helixtrans-66.9-33.9178.9-84.1-14.8000113.7D70 F71 L72D70-N74 WeakPolarHBondContact O-CB 3.36Å; D70-N74 PolarHBondContact O-N 3.28Å; F71-N74 CarbonylContact O-C 3.57Å; F71-N74 PolarHBondContact O-N 3.04Å; L72-N74 VanDerWaalsContact C-N 3.3Å; L72-N74 PolarHBondContact O-N 3.21Å
75I47.1Very low50.3Low77 Ų7776.6 Ų76.640%0.39537%0.365SS..Hα-helixtrans-71.9-39.1173.1-71.3173.9000110.7T10 F71 L72 R77T10-I75 HydrophobicContact CG2-CD1 3.81Å; F71-I75 HydrophobicContact CD1-CD1 3.61Å; F71-I75 HydrophobicContact CD1-CG1 4.42Å; F71-I75 HydrophobicContact CE1-CD1 3.13Å; F71-I75 HydrophobicContact CE1-CG1 4.17Å; F71-I75 HydrophobicContact CE2-CD1 4.2Å; F71-I75 HydrophobicContact CE2-CG1 4.47Å; F71-I75 HydrophobicContact CG-CD1 4.33Å; F71-I75 HydrophobicContact CZ-CD1 3.47Å; F71-I75 VanDerWaalsContact CZ-CD1 3.47Å; F71-I75 HydrophobicContact CZ-CG1 4.18Å; F71-I75 WeakPolarHBondContact O-CG1 3.27Å; F71-I75 PolarHBondContact O-N 3.2Å; L72-I75 PolarHBondContact O-N 2.85Å; I75-R77 VanDerWaalsContact C-N 3.32Å
76L45.7Very low50.3Low43 Ų4381.1 Ų81.123%0.22539%0.387CS..Hα-helixtrans-76.5-19.8-178.3-68.8168.7000112.9V20 L23 L72 K73 I78V20-L76 HydrophobicContact CB-CD2 4.44Å; V20-L76 HydrophobicContact CG1-CD2 2.99Å; V20-L76 HydrophobicContact CG1-CG 4.5Å; L23-L76 HydrophobicContact CD1-CD1 3.72Å; L23-L76 HydrophobicContact CD1-CD2 4.01Å; L72-L76 HydrophobicContact CB-CD1 4.28Å; L72-L76 WeakPolarHBondContact O-CB 3.49Å; L72-L76 WeakPolarHBondContact O-CD1 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.46Å; L72-L76 PolarHBondContact O-N 3.24Å; K73-L76 PolarHBondContact O-N 3.32Å; L76-I78 WeakPolarHBondContact O-CB 2.95Å
77R44.4Very low50.2Low187 Ų18784.2 Ų84.271%0.70639%0.393SS*.  trans-71.8122.2-176.5-154.5175.2-171.8174.41.5110.5K73 I75K73-R77 VanDerWaalsContact O-CB 3.26Å; K73-R77 WeakPolarHBondContact O-CB 3.3Å; K73-R77 PolarHBondContact O-N 2.93Å; I75-R77 VanDerWaalsContact C-N 3.32Å
78I34.8Very low49.7Very low166 Ų16681 Ų8185%0.85138%0.382SS*.  cis38.407-47174.7000115.2L24 L76L24-I78 HydrophobicContact CD1-CD1 3.32Å; L24-I78 HydrophobicContact CD1-CG2 4.29Å; L24-I78 HydrophobicContact CD2-CB 3.86Å; L24-I78 HydrophobicContact CD2-CD1 4.06Å; L24-I78 HydrophobicContact CD2-CG2 3.75Å; L24-I78 HydrophobicContact CG-CD1 4.27Å; L76-I78 WeakPolarHBondContact O-CB 2.95Å

Retrieved 78 of 78 residues in 83 ms (Link to these results)

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