A0A077ZPE2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZPE2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 124 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
1M74.2Confident89.3Confident188 Ų188121.9 Ų121.993%0.92656%0.563SS**  0-64.60-104.3-168.8-43.500114.9E4 N5M1-E4 WeakPolarHBondContact CA-OE2 3.33Å; M1-E4 PolarHBondContact N-OE2 2.92Å; M1-N5 WeakPolarHBondContact O-CB 3.34Å; M1-N5 PolarHBondContact O-N 3.11Å
2L88.6Confident89.5Confident146 Ų146122 Ų12276%0.76457%0.571SS**Hα-helixtrans-65.5-45.9-178.3-75.1175.4000112.7N5 M6L2-N5 PolarHBondContact O-N 2.91Å; L2-M6 WeakPolarHBondContact O-CG 3.49Å; L2-M6 PolarHBondContact O-N 2.81Å
3H86.4Confident89.6Confident137 Ų137120.9 Ų120.963%0.63457%0.569SS**Hα-helixtrans-57.5-51.5178.1-179.8-89.7000112N5 M6 C7H3-N5 VanDerWaalsContact C-N 3.3Å; H3-N5 PolarHBondContact O-N 2.73Å; H3-M6 WeakPolarHBondContact O-CB 3.3Å; H3-M6 PolarHBondContact O-N 2.85Å; H3-M6 VanDerWaalsContact O-N 3.08Å; H3-C7 PolarHBondContact CE1-SG 3.12Å; H3-C7 PolarHBondContact O-N 3.22Å; H3-C7 PolarHBondContact O-SG 3.45Å
4E89.7Confident89.6Confident117 Ų117118.6 Ų118.655%0.54756%0.562SS.*Hα-helixtrans-57.1-43.2178.6-66.6152.4156.600112M1 M6 C7 E8M1-E4 WeakPolarHBondContact CA-OE2 3.33Å; M1-E4 PolarHBondContact N-OE2 2.92Å; E4-M6 PolarHBondContact O-N 2.91Å; E4-C7 PolarHBondContact O-N 2.75Å; E4-E8 WeakPolarHBondContact O-CB 3.43Å; E4-E8 WeakPolarHBondContact O-CG 3.12Å; E4-E8 PolarHBondContact O-N 2.81Å
5N89Confident89.8Confident78 Ų78116.6 Ų116.642%0.41757%0.566SS.*Hα-helixtrans-64.9-38.3177.3-173.9-55.6000112.3M1 L2 H3 E8 R9M1-N5 WeakPolarHBondContact O-CB 3.34Å; M1-N5 PolarHBondContact O-N 3.11Å; L2-N5 PolarHBondContact O-N 2.91Å; H3-N5 VanDerWaalsContact C-N 3.3Å; H3-N5 PolarHBondContact O-N 2.73Å; N5-E8 PolarHBondContact O-N 2.85Å; N5-R9 WeakPolarHBondContact O-CB 3.49Å; N5-R9 WeakPolarHBondContact O-CG 3.25Å; N5-R9 PolarHBondContact O-N 3.04Å; N5-R9 PolarHBondContact OD1-NE 3.19Å
6M90.5Very high90Very high81 Ų81117.8 Ų117.840%0.39957%0.572SS.*Hα-helixtrans-65.6-47.4175-67.8-64.4-174.400111.2L2 H3 E4 E8 R9 Y10L2-M6 WeakPolarHBondContact O-CG 3.49Å; L2-M6 PolarHBondContact O-N 2.81Å; H3-M6 WeakPolarHBondContact O-CB 3.3Å; H3-M6 PolarHBondContact O-N 2.85Å; H3-M6 VanDerWaalsContact O-N 3.08Å; E4-M6 PolarHBondContact O-N 2.91Å; M6-E8 VanDerWaalsContact C-N 3.28Å; M6-E8 PolarHBondContact O-N 3.07Å; M6-R9 PolarHBondContact O-N 3.31Å; M6-R9 PolarHBondContact SD-NH2 3.43Å; M6-Y10 VanDerWaalsContact O-CD2 3.28Å; M6-Y10 WeakPolarHBondContact O-CD2 3.39Å; M6-Y10 PolarHBondContact O-N 3.2Å; M6-Y10 HydrophobicContact SD-CE2 3.98Å
7C90.4Very high90.1Very high43 Ų43118.5 Ų118.529%0.29159%0.585SS.*Hα-helixtrans-60.7-37.6177.1-62.20000112H3 E4 R11H3-C7 PolarHBondContact CE1-SG 3.12Å; H3-C7 PolarHBondContact O-N 3.22Å; H3-C7 PolarHBondContact O-SG 3.45Å; E4-C7 PolarHBondContact O-N 2.75Å; C7-R11 WeakPolarHBondContact O-CA 3.37Å; C7-R11 WeakPolarHBondContact O-CB 3.49Å; C7-R11 PolarHBondContact O-N 3.39Å
8E92.2Very high90.1Very high129 Ų129117.2 Ų117.260%0.60358%0.58SS**Hα-helixtrans-67.7-42.3175.7-77.2179.9172.400112.5E4 N5 M6E4-E8 WeakPolarHBondContact O-CB 3.43Å; E4-E8 WeakPolarHBondContact O-CG 3.12Å; E4-E8 PolarHBondContact O-N 2.81Å; N5-E8 PolarHBondContact O-N 2.85Å; M6-E8 VanDerWaalsContact C-N 3.28Å; M6-E8 PolarHBondContact O-N 3.07Å
9R94.4Very high90Very high149 Ų149114.2 Ų114.256%0.56257%0.57SS**Hα-helixtrans-69.7-32.5180-77.6-167.2-73.1157.3-3.5113.8N5 M6N5-R9 WeakPolarHBondContact O-CB 3.49Å; N5-R9 WeakPolarHBondContact O-CG 3.25Å; N5-R9 PolarHBondContact O-N 3.04Å; N5-R9 PolarHBondContact OD1-NE 3.19Å; M6-R9 PolarHBondContact O-N 3.31Å; M6-R9 PolarHBondContact SD-NH2 3.43Å
10Y92.9Very high89.8Confident113 Ų113114.4 Ų114.444%0.44357%0.573SS.*THydrogen-bonded Turntrans-108.715.1-177.9-60.8-65.8000113.3M6 D12 I13 L14M6-Y10 VanDerWaalsContact O-CD2 3.28Å; M6-Y10 WeakPolarHBondContact O-CD2 3.39Å; M6-Y10 PolarHBondContact O-N 3.2Å; M6-Y10 HydrophobicContact SD-CE2 3.98Å; Y10-D12 PolarHBondContact O-N 2.8Å; Y10-D12 VanDerWaalsContact O-N 3.1Å; Y10-I13 HydrophobicContact CD1-CD1 3.78Å; Y10-I13 HydrophobicContact CE1-CD1 4.43Å; Y10-I13 PolarHBondContact O-N 3.27Å; Y10-L14 WeakPolarHBondContact O-CG 3.38Å; Y10-L14 PolarHBondContact O-N 3.01Å
11R93.6Very high89.6Confident160 Ų160116.7 Ų116.760%0.60458%0.575SS**Hα-helixtrans-46.3-45.7179.9-178.8-168.4-64.4-106.1-1.3111.9C7 L14 S15C7-R11 WeakPolarHBondContact O-CA 3.37Å; C7-R11 WeakPolarHBondContact O-CB 3.49Å; C7-R11 PolarHBondContact O-N 3.39Å; R11-L14 PolarHBondContact O-N 2.86Å; R11-S15 VanDerWaalsContact O-CB 3.25Å; R11-S15 WeakPolarHBondContact O-CB 3.32Å; R11-S15 PolarHBondContact O-N 3.41Å; R11-S15 PolarHBondContact O-OG 3.09Å
12D92.3Very high90.3Very high123 Ų123110.2 Ų110.266%0.65855%0.546SS*.Hα-helixtrans-63.4-47.8-178.2-61.4-24.1000111.1Y10 S15 M16Y10-D12 PolarHBondContact O-N 2.8Å; Y10-D12 VanDerWaalsContact O-N 3.1Å; D12-S15 WeakPolarHBondContact CA-OG 3.45Å; D12-S15 PolarHBondContact O-N 3.07Å; D12-S15 PolarHBondContact O-OG 3.41Å; D12-M16 WeakPolarHBondContact O-CG 3.34Å; D12-M16 PolarHBondContact O-N 2.92Å
13I91.1Very high90.3Very high108 Ų108108.9 Ų108.955%0.55454%0.539SS*.Hα-helixtrans-63.8-47.3178.4-56.9-176.2000111Y10 S15 M16Y10-I13 HydrophobicContact CD1-CD1 3.78Å; Y10-I13 HydrophobicContact CE1-CD1 4.43Å; Y10-I13 PolarHBondContact O-N 3.27Å; I13-S15 PolarHBondContact O-N 3.49Å; I13-M16 WeakPolarHBondContact O-CB 3.29Å; I13-M16 PolarHBondContact O-N 2.94Å
14L89.7Confident90.2Very high89 Ų89105.5 Ų105.547%0.46653%0.526SS..Hα-helixtrans-64.4-22.7178.4-65.6175.6000112.3Y10 R11Y10-L14 WeakPolarHBondContact O-CG 3.38Å; Y10-L14 PolarHBondContact O-N 3.01Å; R11-L14 PolarHBondContact O-N 2.86Å
15S91.7Very high89.8Confident88 Ų88103.6 Ų103.662%0.61552%0.523SS*.THydrogen-bonded Turntrans-89.1-6175.173.70000114.3R11 D12 I13R11-S15 VanDerWaalsContact O-CB 3.25Å; R11-S15 WeakPolarHBondContact O-CB 3.32Å; R11-S15 PolarHBondContact O-N 3.41Å; R11-S15 PolarHBondContact O-OG 3.09Å; D12-S15 WeakPolarHBondContact CA-OG 3.45Å; D12-S15 PolarHBondContact O-N 3.07Å; D12-S15 PolarHBondContact O-OG 3.41Å; I13-S15 PolarHBondContact O-N 3.49Å
16M92.8Very high89.4Confident135 Ų135106.4 Ų106.467%0.66553%0.532SS*.SBendtrans-71.2140176.4-69.5-177.665.400110.8D12 I13 I18D12-M16 WeakPolarHBondContact O-CG 3.34Å; D12-M16 PolarHBondContact O-N 2.92Å; I13-M16 WeakPolarHBondContact O-CB 3.29Å; I13-M16 PolarHBondContact O-N 2.94Å; M16-I18 PolarHBondContact O-N 3.47Å
17T92.9Very high88.7Confident130 Ų130105.7 Ų105.780%0.79853%0.532SS*.PPolyproline II helixtrans-66.9130.1167.9-53.10000109.2P19T17-P19 WeakPolarHBondContact O-CD 3.46Å
18I89.6Confident87.7Confident95 Ų95107.1 Ų107.149%0.48754%0.542SS..PPolyproline II helixtrans-67.7121.8174.8-56175.2000107.8M16 V22 L23M16-I18 PolarHBondContact O-N 3.47Å; I18-V22 HydrophobicContact CG2-CB 3.73Å; I18-V22 HydrophobicContact CG2-CG1 3.78Å; I18-L23 HydrophobicContact CB-CD2 4.28Å; I18-L23 HydrophobicContact CB-CG 4.36Å; I18-L23 HydrophobicContact CD1-CD2 4.3Å; I18-L23 HydrophobicContact CG2-CD1 4.46Å; I18-L23 HydrophobicContact CG2-CD2 3.69Å; I18-L23 HydrophobicContact CG2-CG 3.75Å
19P88.3Confident86.4Confident61 Ų61104.4 Ų104.440%0.39653%0.531SS..PPolyproline II helixtrans-62.5146.8176.3-22.533.6000112.2T17 W21 V22 L23T17-P19 WeakPolarHBondContact O-CD 3.46Å; P19-W21 VanDerWaalsContact C-N 3.27Å; P19-W21 VanDerWaalsContact CB-CD1 3.47Å; P19-W21 HydrophobicContact CB-CG 4.28Å; P19-W21 HydrophobicContact CG-CZ2 4.47Å; P19-W21 PolarHBondContact O-N 2.9Å; P19-V22 HydrophobicContact CB-CG2 4.25Å; P19-V22 HydrophobicContact CG-CG2 4.28Å; P19-V22 WeakPolarHBondContact O-CB 3.3Å; P19-V22 PolarHBondContact O-N 3.49Å; P19-L23 PolarHBondContact O-N 3.36Å
20D85.8Confident85.1Confident117 Ų117100.3 Ų100.363%0.62653%0.529SS*.Hα-helixtrans-58.4-36.4-176.5-63-37000113.1V22 L23 D24D20-V22 PolarHBondContact O-N 2.7Å; D20-L23 PolarHBondContact O-N 2.91Å; D20-D24 PolarHBondContact O-N 3.28Å
21W85.8Confident83.7Confident164 Ų164102.8 Ų102.862%0.62155%0.545SS*.Hα-helixtrans-64.6-21.1176.666.8-97.6000113.9P19 D24 P25P19-W21 VanDerWaalsContact C-N 3.27Å; P19-W21 VanDerWaalsContact CB-CD1 3.47Å; P19-W21 HydrophobicContact CB-CG 4.28Å; P19-W21 HydrophobicContact CG-CZ2 4.47Å; P19-W21 PolarHBondContact O-N 2.9Å; W21-D24 CarbonylContact O-C 3.54Å; W21-P25 VanDerWaalsContact O-CA 3.26Å; W21-P25 WeakPolarHBondContact O-CA 3.09Å
22V88.3Confident82.4Confident51 Ų5197.8 Ų97.831%0.30953%0.532SS..Hα-helixtrans-79.2-37.7173179.20000110.3I18 P19 D20I18-V22 HydrophobicContact CG2-CB 3.73Å; I18-V22 HydrophobicContact CG2-CG1 3.78Å; P19-V22 HydrophobicContact CB-CG2 4.25Å; P19-V22 HydrophobicContact CG-CG2 4.28Å; P19-V22 WeakPolarHBondContact O-CB 3.3Å; P19-V22 PolarHBondContact O-N 3.49Å; D20-V22 PolarHBondContact O-N 2.7Å
23L88.1Confident81.3Confident118 Ų11897.5 Ų97.562%0.61853%0.527SS*.Hα-helixtrans-73.9-39.3178.6-63.6177.5000111.6I18 P19 D20I18-L23 HydrophobicContact CB-CD2 4.28Å; I18-L23 HydrophobicContact CB-CG 4.36Å; I18-L23 HydrophobicContact CD1-CD2 4.3Å; I18-L23 HydrophobicContact CG2-CD1 4.46Å; I18-L23 HydrophobicContact CG2-CD2 3.69Å; I18-L23 HydrophobicContact CG2-CG 3.75Å; P19-L23 PolarHBondContact O-N 3.36Å; D20-L23 PolarHBondContact O-N 2.91Å
24D85Confident80.4Confident67 Ų6796.3 Ų96.336%0.35852%0.524SS..  trans-142.997.9176.4-176.1-7.2000109.5D20 W21 F26 T27D20-D24 PolarHBondContact O-N 3.28Å; W21-D24 CarbonylContact O-C 3.54Å; D24-F26 PolarHBondContact O-N 3.44Å; D24-F26 WeakPolarHBondContact OD1-CA 3.28Å; D24-F26 WeakPolarHBondContact OD1-CB 3.43Å; D24-F26 PolarHBondContact OD1-N 3.47Å; D24-T27 HydrophobicContact CB-CG2 3.66Å; D24-T27 PolarHBondContact O-N 3Å; D24-T27 PolarHBondContact O-OG1 3.08Å; D24-T27 PolarHBondContact OD1-N 3.47Å; D24-T27 WeakPolarHBondContact OD2-CG2 3.33Å
25P81.8Confident79.7Confident76 Ų7694.6 Ų94.649%0.49452%0.523SS..THydrogen-bonded Turntrans-57-21.2176.6-24.934.5000113.6W21W21-P25 VanDerWaalsContact O-CA 3.26Å; W21-P25 WeakPolarHBondContact O-CA 3.09Å
26F80.6Confident79Confident137 Ų13797.2 Ų97.260%0.60152%0.52SS*.THydrogen-bonded Turntrans-96.9-7.4-177.1-51.7-86.3000113.2D24 C28 L29 A30D24-F26 PolarHBondContact O-N 3.44Å; D24-F26 WeakPolarHBondContact OD1-CA 3.28Å; D24-F26 WeakPolarHBondContact OD1-CB 3.43Å; D24-F26 PolarHBondContact OD1-N 3.47Å; F26-C28 VanDerWaalsContact C-N 3.31Å; F26-C28 PolarHBondContact O-N 3.27Å; F26-L29 HydrophobicContact CB-CB 4.49Å; F26-L29 HydrophobicContact CB-CD1 4.3Å; F26-L29 HydrophobicContact CD1-CD1 3.35Å; F26-L29 HydrophobicContact CE1-CD1 3.97Å; F26-L29 HydrophobicContact CG-CD1 4.14Å; F26-L29 WeakPolarHBondContact O-CB 3.2Å; F26-L29 PolarHBondContact O-N 3.43Å; F26-A30 PolarHBondContact O-N 2.89Å
27T75.8Confident78.3Confident66 Ų6695.7 Ų95.741%0.40551%0.512SS..THydrogen-bonded Turntrans-57.3-44175.437.20000112D24 L29D24-T27 HydrophobicContact CB-CG2 3.66Å; D24-T27 PolarHBondContact O-N 3Å; D24-T27 PolarHBondContact O-OG1 3.08Å; D24-T27 PolarHBondContact OD1-N 3.47Å; D24-T27 WeakPolarHBondContact OD2-CG2 3.33Å; T27-L29 VanDerWaalsContact C-N 3.28Å; T27-L29 PolarHBondContact O-N 3.06Å
28C68.2Low77.8Confident74 Ų7495.5 Ų95.550%0.550%0.502SS..THydrogen-bonded Turntrans-74.1-20.3176-67.30000113F26 A30 V32F26-C28 VanDerWaalsContact C-N 3.31Å; F26-C28 PolarHBondContact O-N 3.27Å; C28-A30 VanDerWaalsContact C-N 3.32Å; C28-A30 PolarHBondContact O-N 3.32Å; C28-V32 WeakPolarHBondContact O-CB 3.49Å; C28-V32 WeakPolarHBondContact O-CG2 3.42Å; C28-V32 PolarHBondContact O-N 3.24Å
29L65.9Low77.4Confident72 Ų7296 Ų9638%0.37750%0.502SS..Hα-helixtrans-72.7-24.6-177.5-71173.7000112.3F26 T27 E31 V32 E33F26-L29 HydrophobicContact CB-CB 4.49Å; F26-L29 HydrophobicContact CB-CD1 4.3Å; F26-L29 HydrophobicContact CD1-CD1 3.35Å; F26-L29 HydrophobicContact CE1-CD1 3.97Å; F26-L29 HydrophobicContact CG-CD1 4.14Å; F26-L29 WeakPolarHBondContact O-CB 3.2Å; F26-L29 PolarHBondContact O-N 3.43Å; T27-L29 VanDerWaalsContact C-N 3.28Å; T27-L29 PolarHBondContact O-N 3.06Å; L29-E31 PolarHBondContact O-N 3.42Å; L29-V32 PolarHBondContact O-N 2.93Å; L29-E33 WeakPolarHBondContact O-CA 3.27Å; L29-E33 WeakPolarHBondContact O-CB 3.13Å; L29-E33 PolarHBondContact O-N 2.95Å
30A66.2Low77.1Confident63 Ų6397.9 Ų97.952%0.52151%0.508SS..Hα-helixtrans-60.3-42177.200000113.1F26 C28 V34F26-A30 PolarHBondContact O-N 2.89Å; C28-A30 VanDerWaalsContact C-N 3.32Å; C28-A30 PolarHBondContact O-N 3.32Å; A30-V34 WeakPolarHBondContact O-CG2 3.38Å
31E64.2Low77.1Confident165 Ų16597 Ų9777%0.77150%0.502SS*.Hα-helixtrans-80.2-37178.3-64.3-176.8173.800111.8L29 A35L29-E31 PolarHBondContact O-N 3.42Å; E31-A35 PolarHBondContact O-N 3.43Å
32V66.9Low77Confident54 Ų5496.2 Ų96.233%0.32751%0.506SS..Hα-helixtrans-73-35.1-178.2171.40000111.7C28 L29 A35 Y36C28-V32 WeakPolarHBondContact O-CB 3.49Å; C28-V32 WeakPolarHBondContact O-CG2 3.42Å; C28-V32 PolarHBondContact O-N 3.24Å; L29-V32 PolarHBondContact O-N 2.93Å; V32-A35 PolarHBondContact O-N 2.68Å; V32-Y36 HydrophobicContact CG1-CD2 3.46Å; V32-Y36 VanDerWaalsContact CG1-CD2 3.46Å; V32-Y36 HydrophobicContact CG1-CE2 3.07Å; V32-Y36 WeakPolarHBondContact O-CD2 3.44Å; V32-Y36 PolarHBondContact O-N 2.9Å
33E69Low76.6Confident118 Ų11898.7 Ų98.755%0.55152%0.515SS*.Hα-helixtrans-66.1-39.8176.8-176.2170.3-165.800111.4L29 Y36 Q37L29-E33 WeakPolarHBondContact O-CA 3.27Å; L29-E33 WeakPolarHBondContact O-CB 3.13Å; L29-E33 PolarHBondContact O-N 2.95Å; E33-Y36 PolarHBondContact O-N 3.12Å; E33-Q37 HydrophobicContact CG-CG 4.48Å; E33-Q37 WeakPolarHBondContact O-CB 3.5Å; E33-Q37 WeakPolarHBondContact O-CG 3.44Å; E33-Q37 PolarHBondContact O-N 2.96Å
34V72.6Confident76.2Confident82 Ų82100.4 Ų100.450%0.49752%0.52SS..Hα-helixtrans-64.2-45.2173.9176.90000110.6A30 Y36 Q37 E38A30-V34 WeakPolarHBondContact O-CG2 3.38Å; V34-Y36 PolarHBondContact O-N 3.41Å; V34-Q37 PolarHBondContact O-N 3.42Å; V34-E38 WeakPolarHBondContact O-CG 3.09Å; V34-E38 PolarHBondContact O-N 3.22Å
35A74.4Confident76Confident54 Ų54100.5 Ų100.545%0.44653%0.53SS..Hα-helixtrans-61.2-42.4177.800000112.4E31 V32 E38 E39E31-A35 PolarHBondContact O-N 3.43Å; V32-A35 PolarHBondContact O-N 2.68Å; A35-E38 PolarHBondContact O-N 3.27Å; A35-E39 PolarHBondContact O-N 2.94Å
36Y77.3Confident76Confident142 Ų14299.5 Ų99.556%0.55752%0.52SS*.Hα-helixtrans-68.6-36.8176.1-74.3-49.6000113V32 E33 V34 E39 L40V32-Y36 HydrophobicContact CG1-CD2 3.46Å; V32-Y36 VanDerWaalsContact CG1-CD2 3.46Å; V32-Y36 HydrophobicContact CG1-CE2 3.07Å; V32-Y36 WeakPolarHBondContact O-CD2 3.44Å; V32-Y36 PolarHBondContact O-N 2.9Å; E33-Y36 PolarHBondContact O-N 3.12Å; V34-Y36 PolarHBondContact O-N 3.41Å; Y36-E39 PolarHBondContact O-N 3.42Å; Y36-L40 VanDerWaalsContact O-CG 3.28Å; Y36-L40 WeakPolarHBondContact O-CG 3.42Å; Y36-L40 PolarHBondContact O-N 2.93Å
37Q78.3Confident75.7Confident104 Ų10499.6 Ų99.649%0.48652%0.523SS..Hα-helixtrans-62.5-44.4173.9-71.9-94.73.900110.9E33 V34 L40 I41E33-Q37 HydrophobicContact CG-CG 4.48Å; E33-Q37 WeakPolarHBondContact O-CB 3.5Å; E33-Q37 WeakPolarHBondContact O-CG 3.44Å; E33-Q37 PolarHBondContact O-N 2.96Å; V34-Q37 PolarHBondContact O-N 3.42Å; Q37-L40 PolarHBondContact O-N 3.44Å; Q37-I41 WeakPolarHBondContact O-CD1 2.99Å; Q37-I41 WeakPolarHBondContact O-CG1 3.45Å; Q37-I41 PolarHBondContact O-N 3.26Å
38E82Confident75.7Confident125 Ų125104.7 Ų104.758%0.58454%0.542SS*.Hα-helixtrans-60.7-44.3176-72.9-179.6177.200112.1V34 A35 L40 I41 E42V34-E38 WeakPolarHBondContact O-CG 3.09Å; V34-E38 PolarHBondContact O-N 3.22Å; A35-E38 PolarHBondContact O-N 3.27Å; E38-L40 PolarHBondContact O-N 3.45Å; E38-I41 PolarHBondContact O-N 2.91Å; E38-E42 PolarHBondContact O-N 3.4Å
39E79.8Confident75.7Confident107 Ų107106 Ų10650%0.554%0.544SS..Hα-helixtrans-60.7-43.8175.8-173.6-179.3-178.500111.8A35 Y36 I41 E42 M43A35-E39 PolarHBondContact O-N 2.94Å; Y36-E39 PolarHBondContact O-N 3.42Å; E39-I41 PolarHBondContact O-N 2.94Å; E39-E42 PolarHBondContact O-N 3.38Å; E39-M43 WeakPolarHBondContact O-CB 3.26Å; E39-M43 WeakPolarHBondContact O-CG 3.4Å; E39-M43 PolarHBondContact O-N 2.95Å
40L83.4Confident75.9Confident99 Ų99107.8 Ų107.852%0.51855%0.548SS..Hα-helixtrans-64.9-38.6176.5-70.4175.8000112.2Y36 Q37 E38 M43 Q44Y36-L40 VanDerWaalsContact O-CG 3.28Å; Y36-L40 WeakPolarHBondContact O-CG 3.42Å; Y36-L40 PolarHBondContact O-N 2.93Å; Q37-L40 PolarHBondContact O-N 3.44Å; E38-L40 PolarHBondContact O-N 3.45Å; L40-M43 PolarHBondContact O-N 3.35Å; L40-Q44 WeakPolarHBondContact O-CB 3.19Å; L40-Q44 VanDerWaalsContact O-CG 3.32Å; L40-Q44 WeakPolarHBondContact O-CG 3.4Å; L40-Q44 PolarHBondContact O-N 3.21Å
41I85.3Confident75.8Confident98 Ų98110.5 Ų110.550%0.50356%0.561SS.*Hα-helixtrans-65.3-44.4176.1-69.3162.7000110.3Q37 E38 E39 M43 Q44 A45Q37-I41 WeakPolarHBondContact O-CD1 2.99Å; Q37-I41 WeakPolarHBondContact O-CG1 3.45Å; Q37-I41 PolarHBondContact O-N 3.26Å; E38-I41 PolarHBondContact O-N 2.91Å; E39-I41 PolarHBondContact O-N 2.94Å; I41-M43 VanDerWaalsContact C-N 3.33Å; I41-M43 PolarHBondContact O-N 3.22Å; I41-Q44 PolarHBondContact O-N 3.1Å; I41-A45 VanDerWaalsContact O-CB 3.25Å; I41-A45 WeakPolarHBondContact O-CB 3.36Å; I41-A45 PolarHBondContact O-N 2.99Å
42E83.5Confident76Confident149 Ų149111.2 Ų111.270%0.69656%0.561SS**Hα-helixtrans-60.3-44175.7-174177.7-178.900111E38 E39 Q44 A45 N46E38-E42 PolarHBondContact O-N 3.4Å; E39-E42 PolarHBondContact O-N 3.38Å; E42-Q44 PolarHBondContact O-N 3.04Å; E42-A45 PolarHBondContact O-N 3.01Å; E42-N46 WeakPolarHBondContact O-CB 3.48Å; E42-N46 PolarHBondContact O-N 3.36Å
43M80.6Confident75.9Confident103 Ų103116.4 Ų116.451%0.50758%0.584SS.*Hα-helixtrans-62.1-41.9175.3-76.5-173.45900113.2E39 L40 I41 N46E39-M43 WeakPolarHBondContact O-CB 3.26Å; E39-M43 WeakPolarHBondContact O-CG 3.4Å; E39-M43 PolarHBondContact O-N 2.95Å; L40-M43 PolarHBondContact O-N 3.35Å; I41-M43 VanDerWaalsContact C-N 3.33Å; I41-M43 PolarHBondContact O-N 3.22Å; M43-N46 WeakPolarHBondContact O-CB 3.43Å; M43-N46 PolarHBondContact O-N 3.38Å
44Q78.7Confident75.5Confident154 Ų154120.3 Ų120.372%0.7260%0.599SS**Hα-helixtrans-71-35178.1-75.5-179-9.300112.7L40 I41 E42 N46L40-Q44 WeakPolarHBondContact O-CB 3.19Å; L40-Q44 VanDerWaalsContact O-CG 3.32Å; L40-Q44 WeakPolarHBondContact O-CG 3.4Å; L40-Q44 PolarHBondContact O-N 3.21Å; I41-Q44 PolarHBondContact O-N 3.1Å; E42-Q44 PolarHBondContact O-N 3.04Å; Q44-N46 VanDerWaalsContact C-N 3.27Å
45A82.3Confident74.7Confident68 Ų68119 Ų11956%0.56260%0.602SS**Hα-helixtrans-74.1-19.9176.700000112.4I41 E42 E47I41-A45 VanDerWaalsContact O-CB 3.25Å; I41-A45 WeakPolarHBondContact O-CB 3.36Å; I41-A45 PolarHBondContact O-N 2.99Å; E42-A45 PolarHBondContact O-N 3.01Å; A45-E47 PolarHBondContact O-N 2.73Å
46N80.6Confident73.3Confident55 Ų55119.7 Ų119.729%0.29462%0.615SS.*  trans-66.9105.6178.6-169.71000111.6E42 M43 Q44 E48 L49 K50E42-N46 WeakPolarHBondContact O-CB 3.48Å; E42-N46 PolarHBondContact O-N 3.36Å; M43-N46 WeakPolarHBondContact O-CB 3.43Å; M43-N46 PolarHBondContact O-N 3.38Å; Q44-N46 VanDerWaalsContact C-N 3.27Å; N46-E48 PolarHBondContact O-N 2.78Å; N46-E48 WeakPolarHBondContact OD1-CB 3.34Å; N46-E48 PolarHBondContact OD1-N 3.15Å; N46-E48 VanDerWaalsContact OD1-N 3.12Å; N46-L49 HydrophobicContact CB-CB 4.2Å; N46-L49 HydrophobicContact CB-CD1 3.99Å; N46-L49 HydrophobicContact CB-CG 4.14Å; N46-L49 VanDerWaalsContact ND2-CD1 3.34Å; N46-L49 WeakPolarHBondContact ND2-CD1 3.42Å; N46-L49 VanDerWaalsContact ND2-CG 3.3Å; N46-L49 WeakPolarHBondContact ND2-CG 3.38Å; N46-L49 PolarHBondContact O-N 3.38Å; N46-L49 VanDerWaalsContact O-N 3.07Å; N46-K50 PolarHBondContact O-N 3.31Å
47E74.6Confident72.2Confident140 Ų140122 Ų12265%0.65462%0.624SS**THydrogen-bonded Turntrans-64.8-20.6179.4-57.8-157.7135.700113.5A45 K50A45-E47 PolarHBondContact O-N 2.73Å; E47-K50 HydrophobicContact CB-CD 4.49Å; E47-K50 IonicContact OE1-NZ 3.45Å; E47-K50 PolarHBondContact OE1-NZ 3.38Å
48E76.2Confident70.8Confident172 Ų172122.9 Ų122.980%0.80464%0.636SS**THydrogen-bonded Turntrans-73.2-32.1174.5-60.8-167.6127.500112.2N46N46-E48 PolarHBondContact O-N 2.78Å; N46-E48 WeakPolarHBondContact OD1-CB 3.34Å; N46-E48 PolarHBondContact OD1-N 3.15Å; N46-E48 VanDerWaalsContact OD1-N 3.12Å
49L68.5Low69.4Low103 Ų103123.3 Ų123.354%0.53964%0.643SS.*THydrogen-bonded Turntrans-88.1-9.4178.8-63.9175.6000112.8N46 P51N46-L49 HydrophobicContact CB-CB 4.2Å; N46-L49 HydrophobicContact CB-CD1 3.99Å; N46-L49 HydrophobicContact CB-CG 4.14Å; N46-L49 VanDerWaalsContact ND2-CD1 3.34Å; N46-L49 WeakPolarHBondContact ND2-CD1 3.42Å; N46-L49 VanDerWaalsContact ND2-CG 3.3Å; N46-L49 WeakPolarHBondContact ND2-CG 3.38Å; N46-L49 PolarHBondContact O-N 3.38Å; N46-L49 VanDerWaalsContact O-N 3.07Å; L49-P51 WeakPolarHBondContact O-CD 3.34Å; L49-P51 VanDerWaalsContact O-N 3.13Å
50K68.7Low67.9Low108 Ų108126.1 Ų126.147%0.4766%0.661SS.*SBendtrans-54.9121170.1-80.6180176.9166.40108.6N46 E47 K52N46-K50 PolarHBondContact O-N 3.31Å; E47-K50 HydrophobicContact CB-CD 4.49Å; E47-K50 IonicContact OE1-NZ 3.45Å; E47-K50 PolarHBondContact OE1-NZ 3.38Å; K50-K52 PolarHBondContact O-N 3.47Å
51P65.7Low66.1Low121 Ų121123.9 Ų123.979%0.78666%0.662SS**  trans-60.7108.3175.819.3-26.5000108.4L49 M53L49-P51 WeakPolarHBondContact O-CD 3.34Å; L49-P51 VanDerWaalsContact O-N 3.13Å; P51-M53 PolarHBondContact O-N 3.2Å
52K68.4Low64.2Low179 Ų179126.6 Ų126.678%0.77868%0.683SS**  trans-69.879.8167.8-70.8179.8178.41640106.7K50 K54K50-K52 PolarHBondContact O-N 3.47Å; K52-K54 PolarHBondContact O-N 3.22Å
53M63.9Low62.2Low164 Ų164123.4 Ų123.481%0.80868%0.682SS**  trans-68.780.1171-171.115073.900108P51P51-M53 PolarHBondContact O-N 3.2Å
54K61.2Low60.3Low199 Ų199124.8 Ų124.887%0.86570%0.697SS**  trans-11389-177.1-158.5173.6-173-179.30107.1K52K52-K54 PolarHBondContact O-N 3.22Å
55G55.5Low58.9Low54 Ų54122.3 Ų122.356%0.55770%0.696SS**SBendtrans128.8112.1172.700000112.3
56G45.5Very low57.6Low70 Ų70124.6 Ų124.672%0.72270%0.703SS**  trans-61.3135.817100000110.5T58G56-T58 PolarHBondContact O-N 3.06Å
57Y54Low56.5Low190 Ų190127.6 Ų127.675%0.74572%0.724SS**  trans-71.579.5162.7-41.5-83.9000107.5N59Y57-N59 PolarHBondContact O-N 3.48Å
58T49.1Very low56Low122 Ų122124.5 Ų124.575%0.74872%0.716SS**  trans-67.680.7152.346.80000106.4G56 D60G56-T58 PolarHBondContact O-N 3.06Å; T58-D60 PolarHBondContact O-N 3.02Å; T58-D60 VanDerWaalsContact O-N 3.11Å
59N51.1Low55.8Low134 Ų134121.2 Ų121.272%0.71770%0.704SS**  trans-7884.2166.1-77.2-25.3000107.2Y57 G61Y57-N59 PolarHBondContact O-N 3.48Å; N59-G61 PolarHBondContact O-N 2.79Å
60D49.2Very low56.2Low166 Ų166123.4 Ų123.489%0.88871%0.712SS**  trans-61.888.1152.5-73.6-43.8000107.1T58T58-D60 PolarHBondContact O-N 3.02Å; T58-D60 VanDerWaalsContact O-N 3.11Å
61G44.5Very low56.5Low53 Ų53124.9 Ų124.955%0.54672%0.72SS.*SBendtrans166.884.3-174.700000110.3N59 A63N59-G61 PolarHBondContact O-N 2.79Å; G61-A63 PolarHBondContact O-N 2.9Å
62V46.2Very low57.1Low154 Ų154121 Ų12193%0.93370%0.699SS**  trans-45.496.9172.1171.30000110.6
63A42.5Very low57.8Low83 Ų83116.1 Ų116.169%0.68668%0.68SS**  trans-145.1109149.200000104.1G61 S65G61-A63 PolarHBondContact O-N 2.9Å; A63-S65 PolarHBondContact O-N 2.96Å
64T40.1Very low58.5Low132 Ų132114.7 Ų114.781%0.8167%0.669SS**  trans-64.674.4178.250.20000109.7T66T64-T66 PolarHBondContact O-N 3.48Å
65S49.7Very low59.4Low102 Ų102111 Ų11171%0.71366%0.656SS**  trans-88.970.4160.4-177.40000106.4A63 T67A63-S65 PolarHBondContact O-N 2.96Å; S65-T67 VanDerWaalsContact C-N 3.25Å; S65-T67 PolarHBondContact O-N 3.23Å
66T53.5Low60.7Low115 Ų115111.9 Ų111.971%0.70665%0.65SS**  trans-57.9100.1163-62.10000105.3T64 P68T64-T66 PolarHBondContact O-N 3.48Å; T66-P68 WeakPolarHBondContact O-CD 3.45Å
67T59.1Low62.4Low118 Ų118112.4 Ų112.472%0.72464%0.635SS**  trans-53.8107.7160.940.30000105S65 D69S65-T67 VanDerWaalsContact C-N 3.25Å; S65-T67 PolarHBondContact O-N 3.23Å; T67-D69 PolarHBondContact O-N 3.06Å
68P63.8Low63.7Low76 Ų76105.5 Ų105.549%0.49461%0.611SS.*  trans-63.4128.7-177.723.3-25.1000106.4T66 Q70 I73T66-P68 WeakPolarHBondContact O-CD 3.45Å; P68-Q70 PolarHBondContact O-N 3.02Å; P68-I73 HydrophobicContact CB-CG1 3.95Å; P68-I73 HydrophobicContact CG-CD1 3.99Å; P68-I73 HydrophobicContact CG-CG1 3.74Å
69D72.8Confident65Low103 Ų103103.9 Ų103.955%0.55161%0.605SS**  trans-43.1136.4170.917439.9000109.2T67 Q71 A72 I73T67-D69 PolarHBondContact O-N 3.06Å; D69-Q71 PolarHBondContact O-N 3.45Å; D69-Q71 WeakPolarHBondContact OD2-CB 3.34Å; D69-A72 HydrophobicContact CB-CB 4.14Å; D69-A72 WeakPolarHBondContact O-CA 3.46Å; D69-A72 VanDerWaalsContact O-CB 3.29Å; D69-A72 WeakPolarHBondContact O-CB 3.39Å; D69-A72 PolarHBondContact O-N 3.34Å; D69-I73 PolarHBondContact O-N 2.84Å; D69-I73 VanDerWaalsContact O-N 3.09Å
70Q75.9Confident66.3Low149 Ų149105 Ų10570%0.69661%0.606SS**Hα-helixtrans-55.1-34.5-175.6-75.3-164.8-36.200111P68 I73 F74P68-Q70 PolarHBondContact O-N 3.02Å; Q70-I73 WeakPolarHBondContact O-CB 3.4Å; Q70-I73 PolarHBondContact O-N 2.92Å; Q70-F74 WeakPolarHBondContact O-CD2 3.48Å; Q70-F74 PolarHBondContact O-N 3.41Å; Q70-F74 VanDerWaalsContact O-N 3.08Å
71Q75.8Confident67.5Low138 Ų138101 Ų10165%0.64559%0.587SS**Hα-helixtrans-66.8-35.7174.5-56.9-15855.100113.1D69 I73 F74 Q75D69-Q71 PolarHBondContact O-N 3.45Å; D69-Q71 WeakPolarHBondContact OD2-CB 3.34Å; Q71-I73 VanDerWaalsContact C-N 3.3Å; Q71-I73 PolarHBondContact O-N 3.2Å; Q71-F74 PolarHBondContact O-N 2.64Å; Q71-Q75 WeakPolarHBondContact O-CG 3.47Å; Q71-Q75 PolarHBondContact O-N 3.43Å
72A77.5Confident68.8Low41 Ų41101.7 Ų101.734%0.33959%0.594SS.*Hα-helixtrans-64.9-36.1174.600000111.7D69 T76D69-A72 HydrophobicContact CB-CB 4.14Å; D69-A72 WeakPolarHBondContact O-CA 3.46Å; D69-A72 VanDerWaalsContact O-CB 3.29Å; D69-A72 WeakPolarHBondContact O-CB 3.39Å; D69-A72 PolarHBondContact O-N 3.34Å; A72-T76 WeakPolarHBondContact O-CB 3.28Å; A72-T76 PolarHBondContact O-N 3.29Å; A72-T76 PolarHBondContact O-OG1 3.45Å
73I83.7Confident69.6Low75 Ų75100.4 Ų100.439%0.38558%0.58SS.*Hα-helixtrans-62.3-49.5172.7-58.9174.1000109.8P68 D69 Q70 Q71 Q75 T76 I77P68-I73 HydrophobicContact CB-CG1 3.95Å; P68-I73 HydrophobicContact CG-CD1 3.99Å; P68-I73 HydrophobicContact CG-CG1 3.74Å; D69-I73 PolarHBondContact O-N 2.84Å; D69-I73 VanDerWaalsContact O-N 3.09Å; Q70-I73 WeakPolarHBondContact O-CB 3.4Å; Q70-I73 PolarHBondContact O-N 2.92Å; Q71-I73 VanDerWaalsContact C-N 3.3Å; Q71-I73 PolarHBondContact O-N 3.2Å; I73-Q75 PolarHBondContact O-N 3.21Å; I73-T76 PolarHBondContact O-N 3.04Å; I73-I77 HydrophobicContact CG2-CD1 3.79Å; I73-I77 HydrophobicContact CG2-CG1 4.43Å; I73-I77 VanDerWaalsContact O-CG1 3.3Å; I73-I77 WeakPolarHBondContact O-CG1 3.5Å; I73-I77 PolarHBondContact O-N 3Å
74F78Confident70.3Confident134 Ų134101.8 Ų101.859%0.58858%0.584SS**Hα-helixtrans-58.2-47.2177.6-77.8-67.5000112.3Q70 Q71 T76 I77 L78Q70-F74 WeakPolarHBondContact O-CD2 3.48Å; Q70-F74 PolarHBondContact O-N 3.41Å; Q70-F74 VanDerWaalsContact O-N 3.08Å; Q71-F74 PolarHBondContact O-N 2.64Å; F74-T76 VanDerWaalsContact C-N 3.32Å; F74-T76 PolarHBondContact O-N 2.63Å; F74-I77 PolarHBondContact O-N 3.45Å; F74-L78 VanDerWaalsContact O-CG 3.27Å; F74-L78 WeakPolarHBondContact O-CG 3.45Å; F74-L78 PolarHBondContact O-N 3.1Å
75Q79.7Confident71.1Confident123 Ų123100.2 Ų100.258%0.57557%0.574SS**Hα-helixtrans-63.7-37.7178.2-69.5-70.919.700112.5Q71 I73 L78 S79Q71-Q75 WeakPolarHBondContact O-CG 3.47Å; Q71-Q75 PolarHBondContact O-N 3.43Å; I73-Q75 PolarHBondContact O-N 3.21Å; Q75-L78 PolarHBondContact O-N 3.49Å; Q75-S79 WeakPolarHBondContact O-CB 3.5Å; Q75-S79 PolarHBondContact O-N 2.79Å; Q75-S79 PolarHBondContact O-OG 3.42Å
76T82.3Confident71.4Confident72 Ų72103.8 Ų103.844%0.44258%0.577SS.*Hα-helixtrans-62.6-47.6175.2-57.20000110.5A72 I73 F74 L78 S79 E80A72-T76 WeakPolarHBondContact O-CB 3.28Å; A72-T76 PolarHBondContact O-N 3.29Å; A72-T76 PolarHBondContact O-OG1 3.45Å; I73-T76 PolarHBondContact O-N 3.04Å; F74-T76 VanDerWaalsContact C-N 3.32Å; F74-T76 PolarHBondContact O-N 2.63Å; T76-L78 VanDerWaalsContact C-N 3.33Å; T76-L78 PolarHBondContact O-N 3.38Å; T76-S79 WeakPolarHBondContact CA-OG 3.36Å; T76-S79 PolarHBondContact O-N 3.44Å; T76-S79 VanDerWaalsContact O-N 3.12Å; T76-S79 PolarHBondContact O-OG 3.36Å; T76-E80 PolarHBondContact O-N 3.06Å
77I81.9Confident71.5Confident81 Ų81102.4 Ų102.442%0.41558%0.577SS.*Hα-helixtrans-58.6-46.4177.5-67.2165.3000110.6I73 F74 S79 E80 T81I73-I77 HydrophobicContact CG2-CD1 3.79Å; I73-I77 HydrophobicContact CG2-CG1 4.43Å; I73-I77 VanDerWaalsContact O-CG1 3.3Å; I73-I77 WeakPolarHBondContact O-CG1 3.5Å; I73-I77 PolarHBondContact O-N 3Å; F74-I77 PolarHBondContact O-N 3.45Å; I77-S79 VanDerWaalsContact C-N 3.28Å; I77-S79 PolarHBondContact O-N 3.41Å; I77-E80 PolarHBondContact O-N 2.98Å; I77-T81 HydrophobicContact CG2-CG2 4.39Å; I77-T81 WeakPolarHBondContact O-CG2 3.39Å; I77-T81 PolarHBondContact O-N 2.99Å; I77-T81 PolarHBondContact O-OG1 3.43Å
78L80.7Confident71.1Confident45 Ų45103.9 Ų103.924%0.23658%0.58CS.*Hα-helixtrans-60.9-38.6177.8-69.5171.7000112.1F74 Q75 T76 T81 G82 M83 V85F74-L78 VanDerWaalsContact O-CG 3.27Å; F74-L78 WeakPolarHBondContact O-CG 3.45Å; F74-L78 PolarHBondContact O-N 3.1Å; Q75-L78 PolarHBondContact O-N 3.49Å; T76-L78 VanDerWaalsContact C-N 3.33Å; T76-L78 PolarHBondContact O-N 3.38Å; L78-T81 PolarHBondContact O-OG1 3.03Å; L78-G82 PolarHBondContact O-N 3.49Å; L78-M83 HydrophobicContact CD2-CB 3.99Å; L78-M83 PolarHBondContact O-N 3.06Å; L78-V85 HydrophobicContact CD1-CB 4.42Å; L78-V85 HydrophobicContact CD1-CG2 3.55Å; L78-V85 HydrophobicContact CD2-CG2 3.91Å; L78-V85 HydrophobicContact CG-CG2 4.31Å
79S76.2Confident70.5Confident87 Ų87105.2 Ų105.261%0.60859%0.592SS**Hα-helixtrans-69.8-35.3176.974.50000113Q75 T76 I77Q75-S79 WeakPolarHBondContact O-CB 3.5Å; Q75-S79 PolarHBondContact O-N 2.79Å; Q75-S79 PolarHBondContact O-OG 3.42Å; T76-S79 WeakPolarHBondContact CA-OG 3.36Å; T76-S79 PolarHBondContact O-N 3.44Å; T76-S79 VanDerWaalsContact O-N 3.12Å; T76-S79 PolarHBondContact O-OG 3.36Å; I77-S79 VanDerWaalsContact C-N 3.28Å; I77-S79 PolarHBondContact O-N 3.41Å
80E79.5Confident69.3Low159 Ų159107.1 Ų107.174%0.74361%0.607SS**Hα-helixtrans-73.9-36.2177.4-76.5-173.1162.100112.4T76 I77 G82T76-E80 PolarHBondContact O-N 3.06Å; I77-E80 PolarHBondContact O-N 2.98Å; E80-G82 VanDerWaalsContact C-N 3.25Å; E80-G82 PolarHBondContact O-N 3.43Å
81T75.1Confident68.1Low82 Ų82102.5 Ų102.550%0.50360%0.6SS.*THydrogen-bonded Turntrans-81.50.117957.10000113.8I77 L78 M83I77-T81 HydrophobicContact CG2-CG2 4.39Å; I77-T81 WeakPolarHBondContact O-CG2 3.39Å; I77-T81 PolarHBondContact O-N 2.99Å; I77-T81 PolarHBondContact O-OG1 3.43Å; L78-T81 PolarHBondContact O-OG1 3.03Å; T81-M83 PolarHBondContact O-N 2.94Å; T81-M83 WeakPolarHBondContact OG1-CB 3.44Å
82G70.2Confident66.6Low67 Ų67103.3 Ų103.369%0.69161%0.608SS**THydrogen-bonded Turntrans64.815.5-175.100000113.2L78 E80 S84L78-G82 PolarHBondContact O-N 3.49Å; E80-G82 VanDerWaalsContact C-N 3.25Å; E80-G82 PolarHBondContact O-N 3.43Å; G82-S84 PolarHBondContact O-N 3.16Å
83M63.2Low65.5Low127 Ų127108.8 Ų108.863%0.62663%0.632SS**  trans-8591178-74.9179.4144.100109.3L78 T81 V85L78-M83 HydrophobicContact CD2-CB 3.99Å; L78-M83 PolarHBondContact O-N 3.06Å; T81-M83 PolarHBondContact O-N 2.94Å; T81-M83 WeakPolarHBondContact OG1-CB 3.44Å; M83-V85 PolarHBondContact O-N 3.14Å; M83-V85 VanDerWaalsContact O-N 3.1Å
84S57.8Low63.9Low112 Ų112109.6 Ų109.678%0.78365%0.65SS**  trans-70100.9170.3175.30000109.9G82 K86G82-S84 PolarHBondContact O-N 3.16Å; S84-K86 PolarHBondContact O-N 3.37Å
85V56.9Low62.8Low99 Ų99111.5 Ų111.560%0.666%0.66SS**  trans-67.7105.3164.6174.20000107.4L78 M83 A87L78-V85 HydrophobicContact CD1-CB 4.42Å; L78-V85 HydrophobicContact CD1-CG2 3.55Å; L78-V85 HydrophobicContact CD2-CG2 3.91Å; L78-V85 HydrophobicContact CG-CG2 4.31Å; M83-V85 PolarHBondContact O-N 3.14Å; M83-V85 VanDerWaalsContact O-N 3.1Å; V85-A87 PolarHBondContact O-N 3.4Å
86K55.8Low61.8Low177 Ų177114 Ų11477%0.7767%0.672SS**  trans-62.4105.8163.6-112.4176.8178.5173.60106.2S84 N88S84-K86 PolarHBondContact O-N 3.37Å; K86-N88 PolarHBondContact O-N 2.91Å; K86-N88 PolarHBondContact O-OD1 3.08Å
87A55Low60.1Low86 Ų86119.2 Ų119.271%0.71169%0.691SS**  trans-61109.5163.100000105.9V85 S89V85-A87 PolarHBondContact O-N 3.4Å; A87-S89 PolarHBondContact O-N 3Å
88N51.5Low58.7Low148 Ų148120.4 Ų120.479%0.79170%0.699SS**  trans-67.783.7168.3-64.3-14.2000106.1K86 V90K86-N88 PolarHBondContact O-N 2.91Å; K86-N88 PolarHBondContact O-OD1 3.08Å; N88-V90 PolarHBondContact O-N 3.09Å; N88-V90 VanDerWaalsContact O-N 3.15Å
89S51.9Low57.7Low104 Ų104125.1 Ų125.173%0.72772%0.724SS**  trans-59.9116.2159.652.70000105.6A87 G91A87-S89 PolarHBondContact O-N 3Å; S89-G91 PolarHBondContact O-N 3.39Å
90V46.3Very low56.9Low143 Ų143124.9 Ų124.987%0.86772%0.716SS**  trans-52.796.7164.4168.70000106.4N88N88-V90 PolarHBondContact O-N 3.09Å; N88-V90 VanDerWaalsContact O-N 3.15Å
91G51.1Low55.8Low53 Ų53122.9 Ų122.955%0.54671%0.71SS.*  trans-129111.1171.100000103.9S89 D93S89-G91 PolarHBondContact O-N 3.39Å; G91-D93 VanDerWaalsContact C-N 3.33Å; G91-D93 PolarHBondContact O-N 3.22Å
92D45.2Very low54.9Low155 Ų155126.4 Ų126.483%0.82972%0.723SS**  trans-60.790.9179.1-64.9-46.9000109.6
93D54.7Low54.1Low156 Ų156127.6 Ų127.683%0.83471%0.711SS**  trans-147.5111.5164.2-79.4-50.5000107.7G91 E95G91-D93 VanDerWaalsContact C-N 3.33Å; G91-D93 PolarHBondContact O-N 3.22Å; D93-E95 PolarHBondContact O-N 3.1Å
94A48.6Very low53.8Low92 Ų92125 Ų12576%0.7670%0.702SS**  trans-66.8120.1-174.700000111.3
95E56Low53.8Low174 Ų174123.6 Ų123.681%0.81369%0.688SS**  trans-150.9110.1159.6-64.1-60.5166.200109.6D93D93-E95 PolarHBondContact O-N 3.1Å
96E57.7Low54Low176 Ų176124.7 Ų124.782%0.82269%0.687SS**  trans42.1116.4148.1-57.8-76.9143.500119.8N98E96-N98 PolarHBondContact O-N 3.49Å
97E48.2Very low54.2Low180 Ų180121.9 Ų121.984%0.84168%0.675SS**  trans-60.8126169.3-58.2-152.8159.800111.4
98N52.4Low54.5Low107 Ų107122.7 Ų122.757%0.57267%0.667SS**  trans-118.492.9172.6-169.624.6000109.3E96 N100E96-N98 PolarHBondContact O-N 3.49Å; N98-N100 PolarHBondContact O-N 3.44Å; N98-N100 WeakPolarHBondContact OD1-CB 3.07Å
99D59.2Low55Low143 Ų143122.6 Ų122.677%0.76566%0.659SS**THydrogen-bonded Turntrans-63.29.4174.4-78.9-29.8000114.4
100N59.2Low55.6Low82 Ų82123.6 Ų123.644%0.43965%0.652SS.*Hα-helixtrans-90.4-9-167.1-145.67.2000113.2N98 T104N98-N100 PolarHBondContact O-N 3.44Å; N98-N100 WeakPolarHBondContact OD1-CB 3.07Å; N100-T104 WeakPolarHBondContact O-CG2 3.41Å
101D56.6Low56.5Low117 Ų117121.6 Ų121.663%0.62663%0.633SS**Hα-helixtrans-80.4-28.3-179-73.3-11.6000112.7T104D101-T104 PolarHBondContact O-OG1 2.9Å; D101-T104 VanDerWaalsContact O-OG1 3.06Å
102M54.8Low57.1Low156 Ų156125 Ų12577%0.76864%0.635SS**Hα-helixtrans-77-31.7176.5-168.1171.3-69.200112.2T104 V105 Q106M102-T104 PolarHBondContact O-N 3.5Å; M102-V105 PolarHBondContact O-N 3Å; M102-Q106 PolarHBondContact O-N 3.04Å
103E54.7Low57.9Low93 Ų93121.3 Ų121.344%0.43562%0.618SS.*Hα-helixtrans-68.7-33.2180-163.1-177.1147.800112.3Q106 K107E103-Q106 PolarHBondContact O-N 2.72Å; E103-K107 PolarHBondContact O-N 3.2Å; E103-K107 VanDerWaalsContact O-N 3.1Å; E103-K107 WeakPolarHBondContact OE1-CE 3.5Å; E103-K107 IonicContact OE1-NZ 2.68Å; E103-K107 PolarHBondContact OE1-NZ 3.21Å
104T56.8Low58.3Low72 Ų72115.7 Ų115.744%0.44260%0.597SS.*Hα-helixtrans-70-35.8179.361.50000112.8N100 D101 M102 K107 L108N100-T104 WeakPolarHBondContact O-CG2 3.41Å; D101-T104 PolarHBondContact O-OG1 2.9Å; D101-T104 VanDerWaalsContact O-OG1 3.06Å; M102-T104 PolarHBondContact O-N 3.5Å; T104-K107 PolarHBondContact O-N 3.49Å; T104-L108 WeakPolarHBondContact O-CG 3.4Å; T104-L108 PolarHBondContact O-N 3.46Å; T104-L108 VanDerWaalsContact O-N 3.1Å
105V58.1Low59.3Low82 Ų82118 Ų11850%0.49759%0.586SS.*Hα-helixtrans-68.8-37.4178.2-177.80000111M102 K109M102-V105 PolarHBondContact O-N 3Å; V105-K109 PolarHBondContact O-N 3.23Å
106Q59.5Low59.7Low122 Ų122116.2 Ų116.257%0.5758%0.58SS**Hα-helixtrans-70.3-41.9177.5-163.8172.2-5.800111.8M102 E103 L108 K109 E110M102-Q106 PolarHBondContact O-N 3.04Å; E103-Q106 PolarHBondContact O-N 2.72Å; Q106-L108 VanDerWaalsContact C-N 3.34Å; Q106-L108 PolarHBondContact O-N 3.07Å; Q106-K109 PolarHBondContact O-N 3.42Å; Q106-E110 PolarHBondContact O-N 3.11Å; Q106-E110 VanDerWaalsContact O-N 3.09Å
107K61.4Low59.9Low118 Ų118111.6 Ų111.651%0.51356%0.56SS.*Hα-helixtrans-59.4-40.4174.1-85.2171.2169.1157.20113.1E103 T104 E110 E111E103-K107 PolarHBondContact O-N 3.2Å; E103-K107 VanDerWaalsContact O-N 3.1Å; E103-K107 WeakPolarHBondContact OE1-CE 3.5Å; E103-K107 IonicContact OE1-NZ 2.68Å; E103-K107 PolarHBondContact OE1-NZ 3.21Å; T104-K107 PolarHBondContact O-N 3.49Å; K107-E110 PolarHBondContact O-N 2.68Å; K107-E111 WeakPolarHBondContact O-CB 3.47Å; K107-E111 PolarHBondContact O-N 3.01Å
108L60.1Low60.5Low104 Ų104105.7 Ų105.755%0.54554%0.542SS..Hα-helixtrans-64.9-39177.4-73.3169.5000112.2T104 Q106 E111 E112T104-L108 WeakPolarHBondContact O-CG 3.4Å; T104-L108 PolarHBondContact O-N 3.46Å; T104-L108 VanDerWaalsContact O-N 3.1Å; Q106-L108 VanDerWaalsContact C-N 3.34Å; Q106-L108 PolarHBondContact O-N 3.07Å; L108-E111 PolarHBondContact O-N 2.83Å; L108-E112 WeakPolarHBondContact O-CB 3.28Å; L108-E112 PolarHBondContact O-N 3.35Å
109K62.8Low60.9Low145 Ų145104.5 Ų104.563%0.6354%0.54SS*.Hα-helixtrans-64.6-43.1175.6-73.8-176.6174.7-177.70112V105 Q106 E112 V113V105-K109 PolarHBondContact O-N 3.23Å; Q106-K109 PolarHBondContact O-N 3.42Å; K109-E112 PolarHBondContact O-N 3.1Å; K109-V113 VanDerWaalsContact O-CG2 3.28Å; K109-V113 WeakPolarHBondContact O-CG2 3.49Å; K109-V113 PolarHBondContact O-N 3.17Å; K109-V113 VanDerWaalsContact O-N 3.08Å
110E63.7Low60.8Low125 Ų125101.6 Ų101.658%0.58453%0.528SS*.Hα-helixtrans-65.2-39.5177-71.5179.3174.900112.4Q106 K107 G114Q106-E110 PolarHBondContact O-N 3.11Å; Q106-E110 VanDerWaalsContact O-N 3.09Å; K107-E110 PolarHBondContact O-N 2.68Å; E110-G114 PolarHBondContact O-N 2.95Å
111E65.4Low60.8Low101 Ų101102.8 Ų102.847%0.47254%0.537SS..Hα-helixtrans-67-37.3177.7-166.1-174.5160.500112.1K107 L108 G114 R115K107-E111 WeakPolarHBondContact O-CB 3.47Å; K107-E111 PolarHBondContact O-N 3.01Å; L108-E111 PolarHBondContact O-N 2.83Å; E111-G114 PolarHBondContact O-N 3.21Å; E111-R115 WeakPolarHBondContact O-CG 3.42Å; E111-R115 PolarHBondContact O-N 2.97Å; E111-R115 IonicContact OE1-CZ 3.34Å; E111-R115 IonicContact OE1-NH1 2.63Å; E111-R115 PolarHBondContact OE1-NH1 2.86Å; E111-R115 IonicContact OE1-NH2 3.38Å; E111-R115 PolarHBondContact OE1-NH2 2.99Å
112E63.1Low61.1Low125 Ų125104.8 Ų104.858%0.58455%0.547SS*.Hα-helixtrans-71.2-39.7177.9-163.6154.2162.200112.4L108 K109 R115 M116L108-E112 WeakPolarHBondContact O-CB 3.28Å; L108-E112 PolarHBondContact O-N 3.35Å; K109-E112 PolarHBondContact O-N 3.1Å; E112-R115 PolarHBondContact O-N 3.5Å; E112-M116 PolarHBondContact O-N 3.3Å; E112-M116 VanDerWaalsContact O-N 3.16Å
113V62.4Low61.1Low77 Ų77102.9 Ų102.947%0.46755%0.548SS..Hα-helixtrans-63.6-43171.3174.20000110.7K109 R115 M116 L117K109-V113 VanDerWaalsContact O-CG2 3.28Å; K109-V113 WeakPolarHBondContact O-CG2 3.49Å; K109-V113 PolarHBondContact O-N 3.17Å; K109-V113 VanDerWaalsContact O-N 3.08Å; V113-R115 VanDerWaalsContact C-N 3.34Å; V113-R115 PolarHBondContact O-N 2.99Å; V113-M116 PolarHBondContact O-N 3.49Å; V113-M116 VanDerWaalsContact O-N 3.14Å; V113-L117 HydrophobicContact CG1-CD1 3.96Å; V113-L117 HydrophobicContact CG1-CG 4.42Å; V113-L117 WeakPolarHBondContact O-CG 3.25Å; V113-L117 PolarHBondContact O-N 2.92Å
114G64Low60.8Low39 Ų39104.7 Ų104.740%0.40257%0.569SS.*Hα-helixtrans-60.5-39.4176.300000113.3E110 E111 M116 L117 A118E110-G114 PolarHBondContact O-N 2.95Å; E111-G114 PolarHBondContact O-N 3.21Å; G114-M116 VanDerWaalsContact C-N 3.33Å; G114-M116 PolarHBondContact O-N 3.31Å; G114-L117 PolarHBondContact O-N 3.37Å; G114-A118 WeakPolarHBondContact O-CB 3.34Å; G114-A118 PolarHBondContact O-N 3.29Å
115R69.8Low61Low140 Ų140106.3 Ų106.353%0.52858%0.576SS.*Hα-helixtrans-66.4-32.7174.7-78.5-169.6-85.7-106.9-2.6113.2E111 E112 V113 P119E111-R115 WeakPolarHBondContact O-CG 3.42Å; E111-R115 PolarHBondContact O-N 2.97Å; E111-R115 IonicContact OE1-CZ 3.34Å; E111-R115 IonicContact OE1-NH1 2.63Å; E111-R115 PolarHBondContact OE1-NH1 2.86Å; E111-R115 IonicContact OE1-NH2 3.38Å; E111-R115 PolarHBondContact OE1-NH2 2.99Å; E112-R115 PolarHBondContact O-N 3.5Å; V113-R115 VanDerWaalsContact C-N 3.34Å; V113-R115 PolarHBondContact O-N 2.99Å; R115-P119 WeakPolarHBondContact O-CD 3.32Å
116M63.3Low61.2Low137 Ų137107.6 Ų107.668%0.67558%0.58SS**Hα-helixtrans-75.4-33178-161.4178.7-64.100112.3E112 V113 G114 P119E112-M116 PolarHBondContact O-N 3.3Å; E112-M116 VanDerWaalsContact O-N 3.16Å; V113-M116 PolarHBondContact O-N 3.49Å; V113-M116 VanDerWaalsContact O-N 3.14Å; G114-M116 VanDerWaalsContact C-N 3.33Å; G114-M116 PolarHBondContact O-N 3.31Å; M116-P119 WeakPolarHBondContact O-CD 3.5Å
117L62.2Low61.3Low78 Ų78106.8 Ų106.841%0.40858%0.581SS.*Hα-helixtrans-85-23.3179.1-66.1178.9000113.8V113 G114 P119 V120 V121V113-L117 HydrophobicContact CG1-CD1 3.96Å; V113-L117 HydrophobicContact CG1-CG 4.42Å; V113-L117 WeakPolarHBondContact O-CG 3.25Å; V113-L117 PolarHBondContact O-N 2.92Å; G114-L117 PolarHBondContact O-N 3.37Å; L117-P119 VanDerWaalsContact C-CD 3.45Å; L117-V120 WeakPolarHBondContact O-CA 3.37Å; L117-V120 WeakPolarHBondContact O-CB 3.47Å; L117-V120 PolarHBondContact O-N 2.9Å; L117-V121 WeakPolarHBondContact O-CG2 3.44Å; L117-V121 PolarHBondContact O-N 3.48Å
118A60.3Low61.3Low56 Ų56106.1 Ų106.146%0.46359%0.585SS.*Hα-helixtrans-54-42.1-178.600000114.8G114 V120 L122G114-A118 WeakPolarHBondContact O-CB 3.34Å; G114-A118 PolarHBondContact O-N 3.29Å; A118-V120 VanDerWaalsContact C-N 3.29Å; A118-V120 PolarHBondContact O-N 3.08Å; A118-L122 WeakPolarHBondContact O-CB 3.2Å; A118-L122 PolarHBondContact O-N 3.17Å; A118-L122 VanDerWaalsContact O-N 3.11Å
119P60.7Low61.3Low82 Ų82106.3 Ų106.353%0.53259%0.587SS.*Hα-helixtrans-67.3-30.3175.6-1629.8000112.9R115 M116 L117 C123R115-P119 WeakPolarHBondContact O-CD 3.32Å; M116-P119 WeakPolarHBondContact O-CD 3.5Å; L117-P119 VanDerWaalsContact C-CD 3.45Å; P119-C123 PolarHBondContact O-SG 3.35Å; P119-C123 VanDerWaalsContact O-SG 3.36Å
120V58.2Low61.2Low83 Ų83103.7 Ų103.750%0.50358%0.584SS.*Hα-helixtrans-74.3-43.1-179.7-176.60000110.3L117 A118L117-V120 WeakPolarHBondContact O-CA 3.37Å; L117-V120 WeakPolarHBondContact O-CB 3.47Å; L117-V120 PolarHBondContact O-N 2.9Å; A118-V120 VanDerWaalsContact C-N 3.29Å; A118-V120 PolarHBondContact O-N 3.08Å
121V59Low61.1Low106 Ų106102.1 Ų102.164%0.64258%0.584SS**Hα-helixtrans-71.9-33.9179.3178.40000112.2L117 C123L117-V121 WeakPolarHBondContact O-CG2 3.44Å; L117-V121 PolarHBondContact O-N 3.48Å; V121-C123 VanDerWaalsContact C-N 3.28Å; V121-C123 PolarHBondContact O-N 2.73Å
122L62.3Low60.7Low159 Ų159102.2 Ų102.283%0.83259%0.593SS**THydrogen-bonded Turntrans-76.6-13-179.7-150.880.8000113.7A118A118-L122 WeakPolarHBondContact O-CB 3.2Å; A118-L122 PolarHBondContact O-N 3.17Å; A118-L122 VanDerWaalsContact O-N 3.11Å
123C55Low60.5Low117 Ų117100.3 Ų100.379%0.79159%0.594SS**THydrogen-bonded Turntrans-94.4-6177.7-75.60000114.3P119 V121P119-C123 PolarHBondContact O-SG 3.35Å; P119-C123 VanDerWaalsContact O-SG 3.36Å; V121-C123 VanDerWaalsContact C-N 3.28Å; V121-C123 PolarHBondContact O-N 2.73Å
124C49.2Very low60.3Low130 Ų130102.5 Ų102.588%0.87861%0.605SS**  trans-94.70175.6-67.90000111.4

Retrieved 124 of 124 residues in 43.1 ms (Link to these results)