A0A3Q0KUC1_SCHMA Loading...

Transmembrane protein

AlphaFold DB , UniProt , Accession A0A3Q0KUC1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 85 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M61.8Low74.5Confident215 Ų215129 Ų129100%1.05962%0.624SS**  0-240-72.8-164173.300114.2H3 F4M1-H3 VanDerWaalsContact C-N 3.35Å; M1-H3 PolarHBondContact O-N 3.38Å; M1-F4 PolarHBondContact O-N 3.31Å
2L63.5Low75.2Confident142 Ų142124.6 Ų124.674%0.74361%0.605SS**Hα-helixtrans-58-37.9-179.4-134.386.7000114.8F4 Q5 T6L2-F4 PolarHBondContact O-N 3.42Å; L2-Q5 PolarHBondContact O-N 3.25Å; L2-T6 PolarHBondContact O-N 3.06Å
3H65.3Low75.8Confident155 Ų155124.2 Ų124.272%0.71861%0.607SS**Hα-helixtrans-67.2-30.5-177.1-69-69.9000114.5M1 T6 V7M1-H3 VanDerWaalsContact C-N 3.35Å; M1-H3 PolarHBondContact O-N 3.38Å; H3-T6 PolarHBondContact O-OG1 3.34Å; H3-T6 VanDerWaalsContact O-OG1 3.05Å; H3-V7 WeakPolarHBondContact O-CG2 3.48Å; H3-V7 PolarHBondContact O-N 3.06Å
4F70.7Confident76.4Confident177 Ų177121.6 Ų121.678%0.77660%0.596SS**Hα-helixtrans-71.1-36.7177.8-87.1-82.3000111.6M1 L2 F8M1-F4 PolarHBondContact O-N 3.31Å; L2-F4 PolarHBondContact O-N 3.42Å; F4-F8 WeakPolarHBondContact O-CB 3.19Å; F4-F8 PolarHBondContact O-N 3.05Å
5Q75.9Confident76.8Confident121 Ų121119.3 Ų119.357%0.56559%0.586SS**Hα-helixtrans-69.8-41.1-179.4-166.4160.3-1.300111.4L2 F8 W9L2-Q5 PolarHBondContact O-N 3.25Å; Q5-F8 PolarHBondContact O-N 3.37Å; Q5-W9 PolarHBondContact O-N 3.48Å; Q5-W9 VanDerWaalsContact O-N 3.16Å
6T77Confident77Confident73 Ų73116.1 Ų116.145%0.44858%0.579SS.*Hα-helixtrans-65.1-40.7176.255.40000112.3L2 H3 F8 W9 V10L2-T6 PolarHBondContact O-N 3.06Å; H3-T6 PolarHBondContact O-OG1 3.34Å; H3-T6 VanDerWaalsContact O-OG1 3.05Å; T6-F8 VanDerWaalsContact C-N 3.34Å; T6-F8 PolarHBondContact O-N 3.29Å; T6-W9 PolarHBondContact O-N 3.16Å; T6-V10 VanDerWaalsContact O-CG2 3.31Å; T6-V10 WeakPolarHBondContact O-CG2 3.31Å; T6-V10 PolarHBondContact O-N 3.37Å
7V78.2Confident77.2Confident77 Ų77116.5 Ų116.547%0.46758%0.583SS.*Hα-helixtrans-63.5-40.6176.8173.20000111.4H3 W9 V10 Q11H3-V7 WeakPolarHBondContact O-CG2 3.48Å; H3-V7 PolarHBondContact O-N 3.06Å; V7-W9 PolarHBondContact O-N 2.67Å; V7-V10 PolarHBondContact O-N 3.42Å; V7-Q11 WeakPolarHBondContact O-CG 3.21Å; V7-Q11 PolarHBondContact O-N 2.84Å
8F81.1Confident77.4Confident120 Ų120117.9 Ų117.953%0.52659%0.585SS.*Hα-helixtrans-60.7-45.1176.6-178.1-100.7000112.3F4 Q5 T6 V10 Q11 L12F4-F8 WeakPolarHBondContact O-CB 3.19Å; F4-F8 PolarHBondContact O-N 3.05Å; Q5-F8 PolarHBondContact O-N 3.37Å; T6-F8 VanDerWaalsContact C-N 3.34Å; T6-F8 PolarHBondContact O-N 3.29Å; F8-V10 PolarHBondContact O-N 3.25Å; F8-Q11 PolarHBondContact O-N 3.05Å; F8-L12 HydrophobicContact CD1-CD1 3.86Å; F8-L12 HydrophobicContact CE1-CD1 3.33Å; F8-L12 HydrophobicContact CE1-CG 4.23Å; F8-L12 HydrophobicContact CZ-CD1 3.82Å; F8-L12 HydrophobicContact CZ-CG 4.35Å; F8-L12 PolarHBondContact O-N 3.37Å
9W80.5Confident77.3Confident149 Ų149120.2 Ų120.256%0.56459%0.587SS**Hα-helixtrans-64.9-39.5176.9-71117.1000112.8Q5 T6 V7 Q11 L12 L13Q5-W9 PolarHBondContact O-N 3.48Å; Q5-W9 VanDerWaalsContact O-N 3.16Å; T6-W9 PolarHBondContact O-N 3.16Å; V7-W9 PolarHBondContact O-N 2.67Å; W9-Q11 VanDerWaalsContact C-N 3.35Å; W9-L12 HydrophobicContact CE3-CD1 4.03Å; W9-L12 HydrophobicContact CZ3-CD1 4.18Å; W9-L12 PolarHBondContact O-N 2.85Å; W9-L13 WeakPolarHBondContact O-CG 3.11Å; W9-L13 PolarHBondContact O-N 3.29Å
10V83.2Confident77.2Confident79 Ų79117.7 Ų117.748%0.47958%0.579SS.*Hα-helixtrans-63.6-42176.6172.50000111T6 V7 F8 L13 I14T6-V10 VanDerWaalsContact O-CG2 3.31Å; T6-V10 WeakPolarHBondContact O-CG2 3.31Å; T6-V10 PolarHBondContact O-N 3.37Å; V7-V10 PolarHBondContact O-N 3.42Å; F8-V10 PolarHBondContact O-N 3.25Å; V10-L13 PolarHBondContact O-N 2.94Å; V10-I14 HydrophobicContact CG1-CD1 3.84Å; V10-I14 HydrophobicContact CG1-CG1 4.48Å; V10-I14 VanDerWaalsContact O-CG1 3.3Å; V10-I14 WeakPolarHBondContact O-CG1 3.39Å; V10-I14 PolarHBondContact O-N 3.39Å
11Q81.8Confident77Confident111 Ų111117.5 Ų117.552%0.51958%0.577SS.*Hα-helixtrans-63.4-43.1176.2-73.2-176.9-7.700112V7 F8 W9 L13 I14 I15V7-Q11 WeakPolarHBondContact O-CG 3.21Å; V7-Q11 PolarHBondContact O-N 2.84Å; F8-Q11 PolarHBondContact O-N 3.05Å; W9-Q11 VanDerWaalsContact C-N 3.35Å; Q11-L13 VanDerWaalsContact C-N 3.33Å; Q11-L13 PolarHBondContact O-N 3.43Å; Q11-I14 PolarHBondContact O-N 2.64Å; Q11-I15 WeakPolarHBondContact O-CB 3.38Å; Q11-I15 WeakPolarHBondContact O-CG1 3.2Å; Q11-I15 PolarHBondContact O-N 3Å
12L82.9Confident77.4Confident76 Ų76114.2 Ų114.240%0.39856%0.557SS.*Hα-helixtrans-59.5-42.8175.1-83.4172.2000112.3F8 W9 I15 S16F8-L12 HydrophobicContact CD1-CD1 3.86Å; F8-L12 HydrophobicContact CE1-CD1 3.33Å; F8-L12 HydrophobicContact CE1-CG 4.23Å; F8-L12 HydrophobicContact CZ-CD1 3.82Å; F8-L12 HydrophobicContact CZ-CG 4.35Å; F8-L12 PolarHBondContact O-N 3.37Å; W9-L12 HydrophobicContact CE3-CD1 4.03Å; W9-L12 HydrophobicContact CZ3-CD1 4.18Å; W9-L12 PolarHBondContact O-N 2.85Å; L12-I15 PolarHBondContact O-N 3.32Å; L12-S16 WeakPolarHBondContact O-CB 3.35Å; L12-S16 PolarHBondContact O-N 3.35Å
13L83.5Confident77.6Confident120 Ų120111.1 Ų111.163%0.62854%0.544SS*.Hα-helixtrans-63.4-45177.2-72.4173.7000111.7W9 V10 Q11 I15 S16 L17W9-L13 WeakPolarHBondContact O-CG 3.11Å; W9-L13 PolarHBondContact O-N 3.29Å; V10-L13 PolarHBondContact O-N 2.94Å; Q11-L13 VanDerWaalsContact C-N 3.33Å; Q11-L13 PolarHBondContact O-N 3.43Å; L13-I15 PolarHBondContact O-N 3.43Å; L13-S16 PolarHBondContact O-N 3.5Å; L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 PolarHBondContact O-N 2.99Å
14I84Confident77.6Confident88 Ų88109.1 Ų109.145%0.45154%0.537SS..Hα-helixtrans-60.4-48177.4-68.7166.9000110.3V10 Q11 S16 L17 F18V10-I14 HydrophobicContact CG1-CD1 3.84Å; V10-I14 HydrophobicContact CG1-CG1 4.48Å; V10-I14 VanDerWaalsContact O-CG1 3.3Å; V10-I14 WeakPolarHBondContact O-CG1 3.39Å; V10-I14 PolarHBondContact O-N 3.39Å; Q11-I14 PolarHBondContact O-N 2.64Å; I14-S16 PolarHBondContact O-N 3.32Å; I14-L17 PolarHBondContact O-N 3.5Å; I14-F18 HydrophobicContact CG2-CD2 3.65Å; I14-F18 HydrophobicContact CG2-CE2 3.69Å; I14-F18 VanDerWaalsContact O-CD2 3.32Å; I14-F18 WeakPolarHBondContact O-CD2 3.44Å; I14-F18 PolarHBondContact O-N 3.35Å
15I82.4Confident77.3Confident86 Ų86105 Ų10544%0.44153%0.526SS..Hα-helixtrans-59.7-46.9179.1-68.9167.5000110.5Q11 L12 L13 L17 F18 Y19Q11-I15 WeakPolarHBondContact O-CB 3.38Å; Q11-I15 WeakPolarHBondContact O-CG1 3.2Å; Q11-I15 PolarHBondContact O-N 3Å; L12-I15 PolarHBondContact O-N 3.32Å; L13-I15 PolarHBondContact O-N 3.43Å; I15-L17 VanDerWaalsContact C-N 3.29Å; I15-L17 PolarHBondContact O-N 3.34Å; I15-F18 PolarHBondContact O-N 3.04Å; I15-Y19 HydrophobicContact CG2-CD2 3.56Å; I15-Y19 HydrophobicContact CG2-CE2 3.36Å; I15-Y19 WeakPolarHBondContact O-CD2 3.35Å; I15-Y19 PolarHBondContact O-N 3.26Å
16S80.8Confident76.6Confident69 Ų69103.4 Ų103.448%0.48353%0.529SS..Hα-helixtrans-56.6-44.1176.3-172.50000111.7L12 L13 I14 Y19 T20L12-S16 WeakPolarHBondContact O-CB 3.35Å; L12-S16 PolarHBondContact O-N 3.35Å; L13-S16 PolarHBondContact O-N 3.5Å; I14-S16 PolarHBondContact O-N 3.32Å; S16-Y19 PolarHBondContact O-N 3Å; S16-T20 WeakPolarHBondContact O-CG2 3.39Å; S16-T20 PolarHBondContact O-N 3.5Å; S16-T20 PolarHBondContact O-OG1 2.71Å
17L80.5Confident75.3Confident123 Ų123105.6 Ų105.664%0.64454%0.536SS*.Hα-helixtrans-66.8-40.5-178.4-144.6146.9000111.4L13 I14 I15 T20 H21L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 PolarHBondContact O-N 2.99Å; I14-L17 PolarHBondContact O-N 3.5Å; I15-L17 VanDerWaalsContact C-N 3.29Å; I15-L17 PolarHBondContact O-N 3.34Å; L17-T20 WeakPolarHBondContact CA-OG1 3.44Å; L17-T20 PolarHBondContact O-N 3.43Å; L17-T20 PolarHBondContact O-OG1 3.27Å; L17-H21 WeakPolarHBondContact O-CB 3.36Å; L17-H21 PolarHBondContact O-N 3.44Å
18F79.2Confident74.1Confident142 Ų142106.5 Ų106.562%0.62354%0.543SS*.Hα-helixtrans-62.6-42.3173.2-92.2-78.5000112.8I14 I15 H21 K22I14-F18 HydrophobicContact CG2-CD2 3.65Å; I14-F18 HydrophobicContact CG2-CE2 3.69Å; I14-F18 VanDerWaalsContact O-CD2 3.32Å; I14-F18 WeakPolarHBondContact O-CD2 3.44Å; I14-F18 PolarHBondContact O-N 3.35Å; I15-F18 PolarHBondContact O-N 3.04Å; F18-H21 PolarHBondContact O-N 3.49Å; F18-K22 PolarHBondContact O-N 2.89Å
19Y76.6Confident72.8Confident160 Ų160108.4 Ų108.463%0.62756%0.557SS**Hα-helixtrans-64.9-45.8175.8-82.4-68.7000111.4I15 S16 H21 K22 V23I15-Y19 HydrophobicContact CG2-CD2 3.56Å; I15-Y19 HydrophobicContact CG2-CE2 3.36Å; I15-Y19 WeakPolarHBondContact O-CD2 3.35Å; I15-Y19 PolarHBondContact O-N 3.26Å; S16-Y19 PolarHBondContact O-N 3Å; Y19-H21 VanDerWaalsContact C-N 3.32Å; Y19-H21 PolarHBondContact O-N 3.26Å; Y19-K22 PolarHBondContact O-N 3.04Å; Y19-V23 VanDerWaalsContact O-CG2 3.32Å; Y19-V23 WeakPolarHBondContact O-CG2 3.4Å; Y19-V23 PolarHBondContact O-N 3.1Å
20T75.2Confident71.3Confident70 Ų70103.2 Ų103.243%0.42955%0.545SS..Hα-helixtrans-60.8-42176.849.30000112S16 L17 V23 I24S16-T20 WeakPolarHBondContact O-CG2 3.39Å; S16-T20 PolarHBondContact O-N 3.5Å; S16-T20 PolarHBondContact O-OG1 2.71Å; L17-T20 WeakPolarHBondContact CA-OG1 3.44Å; L17-T20 PolarHBondContact O-N 3.43Å; L17-T20 PolarHBondContact O-OG1 3.27Å; T20-V23 PolarHBondContact O-N 3.24Å; T20-I24 WeakPolarHBondContact O-CD1 3.25Å; T20-I24 VanDerWaalsContact O-CG1 3.22Å; T20-I24 WeakPolarHBondContact O-CG1 2.87Å; T20-I24 PolarHBondContact O-N 3.38Å
21H72.3Confident69.8Low114 Ų114108.2 Ų108.253%0.52856%0.564SS.*Hα-helixtrans-63.6-44.9177.3-175-87.3000111.3L17 F18 Y19 V23 I24 T25L17-H21 WeakPolarHBondContact O-CB 3.36Å; L17-H21 PolarHBondContact O-N 3.44Å; F18-H21 PolarHBondContact O-N 3.49Å; Y19-H21 VanDerWaalsContact C-N 3.32Å; Y19-H21 PolarHBondContact O-N 3.26Å; H21-V23 VanDerWaalsContact C-N 3.34Å; H21-V23 PolarHBondContact O-N 2.96Å; H21-I24 PolarHBondContact O-N 2.98Å; H21-T25 VanDerWaalsContact CE1-CG2 3.41Å; H21-T25 WeakPolarHBondContact CE1-CG2 3.41Å; H21-T25 WeakPolarHBondContact O-CG2 3.43Å; H21-T25 PolarHBondContact O-N 3.32Å; H21-T25 PolarHBondContact O-OG1 3.02Å
22K70.3Confident68.5Low147 Ų147112 Ų11264%0.63958%0.581SS**Hα-helixtrans-58.3-46.1175.3-87.7-159.8172.4-171.50112F18 Y19 I24 T25 S26F18-K22 PolarHBondContact O-N 2.89Å; Y19-K22 PolarHBondContact O-N 3.04Å; K22-I24 PolarHBondContact O-N 3.01Å; K22-T25 WeakPolarHBondContact CA-OG1 3.41Å; K22-T25 PolarHBondContact O-N 3.15Å; K22-T25 PolarHBondContact O-OG1 2.01Å; K22-S26 VanDerWaalsContact O-CB 3.27Å; K22-S26 WeakPolarHBondContact O-CB 2.87Å; K22-S26 PolarHBondContact O-N 3.21Å; K22-S26 PolarHBondContact O-OG 3.35Å
23V67.2Low67.1Low76 Ų76110.5 Ų110.546%0.46157%0.574SS.*Hα-helixtrans-57.9-49.8177171.90000110.5Y19 T20 H21 T25 S26 M27Y19-V23 VanDerWaalsContact O-CG2 3.32Å; Y19-V23 WeakPolarHBondContact O-CG2 3.4Å; Y19-V23 PolarHBondContact O-N 3.1Å; T20-V23 PolarHBondContact O-N 3.24Å; H21-V23 VanDerWaalsContact C-N 3.34Å; H21-V23 PolarHBondContact O-N 2.96Å; V23-T25 PolarHBondContact O-N 3.45Å; V23-S26 WeakPolarHBondContact CA-OG 3.41Å; V23-S26 PolarHBondContact O-N 3.5Å; V23-S26 PolarHBondContact O-OG 3.21Å; V23-M27 HydrophobicContact CG1-CE 3.95Å; V23-M27 PolarHBondContact O-N 3.14Å; V23-M27 VanDerWaalsContact O-N 3.08Å
24I65.5Low65.9Low114 Ų114107.5 Ų107.559%0.58556%0.562SS**Hα-helixtrans-60.2-45.6178.8-66.6164.1000111.2T20 H21 K22 S26 M27T20-I24 WeakPolarHBondContact O-CD1 3.25Å; T20-I24 VanDerWaalsContact O-CG1 3.22Å; T20-I24 WeakPolarHBondContact O-CG1 2.87Å; T20-I24 PolarHBondContact O-N 3.38Å; H21-I24 PolarHBondContact O-N 2.98Å; K22-I24 PolarHBondContact O-N 3.01Å; I24-S26 VanDerWaalsContact C-N 3.33Å; I24-S26 PolarHBondContact O-N 2.95Å; I24-M27 PolarHBondContact O-N 2.95Å
25T65Low64.8Low89 Ų89109.9 Ų109.955%0.54658%0.575SS.*Hα-helixtrans-71.5-25.9179.954.80000114H21 K22 V23H21-T25 VanDerWaalsContact CE1-CG2 3.41Å; H21-T25 WeakPolarHBondContact CE1-CG2 3.41Å; H21-T25 WeakPolarHBondContact O-CG2 3.43Å; H21-T25 PolarHBondContact O-N 3.32Å; H21-T25 PolarHBondContact O-OG1 3.02Å; K22-T25 WeakPolarHBondContact CA-OG1 3.41Å; K22-T25 PolarHBondContact O-N 3.15Å; K22-T25 PolarHBondContact O-OG1 2.01Å; V23-T25 PolarHBondContact O-N 3.45Å
26S60.7Low63.9Low89 Ų89112.4 Ų112.462%0.62259%0.585SS**Hα-helixtrans-83.4-14.9177.264.40000113.1K22 V23 I24 P28K22-S26 VanDerWaalsContact O-CB 3.27Å; K22-S26 WeakPolarHBondContact O-CB 2.87Å; K22-S26 PolarHBondContact O-N 3.21Å; K22-S26 PolarHBondContact O-OG 3.35Å; V23-S26 WeakPolarHBondContact CA-OG 3.41Å; V23-S26 PolarHBondContact O-N 3.5Å; V23-S26 PolarHBondContact O-OG 3.21Å; I24-S26 VanDerWaalsContact C-N 3.33Å; I24-S26 PolarHBondContact O-N 2.95Å; S26-P28 WeakPolarHBondContact O-CD 3.36Å
27M51Low63.2Low119 Ų119110 Ų11059%0.58657%0.567SS**SBendtrans-69.3123.3168.2-74.5-179.8-179.600107.3V23 I24 I29V23-M27 HydrophobicContact CG1-CE 3.95Å; V23-M27 PolarHBondContact O-N 3.14Å; V23-M27 VanDerWaalsContact O-N 3.08Å; I24-M27 PolarHBondContact O-N 2.95Å; M27-I29 PolarHBondContact O-N 2.92Å
28P52.2Low62.4Low96 Ų96107.7 Ų107.762%0.62356%0.559SS**  trans-56.5121.3169.225.1-31.1000106.1S26 A30S26-P28 WeakPolarHBondContact O-CD 3.36Å; P28-A30 PolarHBondContact O-N 2.98Å
29I53Low61.9Low160 Ų160106.1 Ų106.182%0.82156%0.556SS**  trans-63.885166.9-63.7165.4000104.5M27 E31M27-I29 PolarHBondContact O-N 2.92Å; I29-E31 PolarHBondContact O-N 3.18Å
30A50.2Low61.5Low39 Ų39103.9 Ų103.932%0.32255%0.551SS.*  trans-66.994.7164.500000104.6P28 E32 L33 T74P28-A30 PolarHBondContact O-N 2.98Å; A30-E32 VanDerWaalsContact C-N 3.32Å; A30-E32 PolarHBondContact O-N 3.49Å; A30-L33 HydrophobicContact CB-CB 4.39Å; A30-T74 HydrophobicContact CB-CG2 3.78Å
31E52.1Low61.3Low184 Ų184101.1 Ų101.186%0.8653%0.534SS*.THydrogen-bonded Turntrans-41.1108.4148.9-69.4179132.200106.5I29I29-E31 PolarHBondContact O-N 3.18Å
32E53.1Low61.2Low190 Ų19097.4 Ų97.489%0.88853%0.527SS*.THydrogen-bonded Turntrans56.866.3179.8-53.5-159.8149.100117A30 S34A30-E32 VanDerWaalsContact C-N 3.32Å; A30-E32 PolarHBondContact O-N 3.49Å; E32-S34 PolarHBondContact O-N 3.43Å; E32-S34 VanDerWaalsContact O-N 3.09Å
33L53.7Low61.3Low46 Ų4693.8 Ų93.824%0.24152%0.517CS..  trans-61.8113.7148.3-160.877.7000107A30 I35 C37 V70 C73 T74A30-L33 HydrophobicContact CB-CB 4.39Å; L33-I35 PolarHBondContact O-N 2.94Å; L33-C37 HydrophobicContact CD1-CB 4.41Å; L33-C37 HydrophobicContact CG-CB 4.13Å; L33-V70 HydrophobicContact CD1-CG1 4.12Å; L33-C73 HydrophobicContact CD1-CB 3.78Å; L33-T74 HydrophobicContact CD1-CG2 3.25Å
34S59.1Low61.3Low56 Ų5692.6 Ų92.639%0.39251%0.506SS..  trans-53.1139.1-178.977.60000109.6E32 E36 C37 T38E32-S34 PolarHBondContact O-N 3.43Å; E32-S34 VanDerWaalsContact O-N 3.09Å; S34-E36 PolarHBondContact O-N 3.3Å; S34-C37 WeakPolarHBondContact O-CA 3.48Å; S34-C37 WeakPolarHBondContact O-CB 3.4Å; S34-C37 PolarHBondContact O-N 3.42Å; S34-C37 WeakPolarHBondContact OG-CB 3.42Å; S34-C37 PolarHBondContact OG-N 2.89Å; S34-C37 VanDerWaalsContact OG-N 3.14Å; S34-T38 PolarHBondContact O-N 3.46Å; S34-T38 PolarHBondContact O-OG1 3.3Å
35I60.5Low61.4Low138 Ų13888.5 Ų88.571%0.70849%0.49SS*.Hα-helixtrans-51.1-36.5178.7-64.6170.4000109.9L33 T38 I39L33-I35 PolarHBondContact O-N 2.94Å; I35-T38 WeakPolarHBondContact O-CB 3.48Å; I35-T38 PolarHBondContact O-N 2.99Å; I35-I39 HydrophobicContact CG2-CD1 3.82Å; I35-I39 HydrophobicContact CG2-CG1 4.43Å; I35-I39 VanDerWaalsContact O-CG1 3.26Å; I35-I39 WeakPolarHBondContact O-CG1 3.46Å; I35-I39 PolarHBondContact O-N 2.92Å
36E63Low61.7Low140 Ų14087.4 Ų87.465%0.65448%0.48SS*.Hα-helixtrans-62.7-44.2177.2-168160.8-161.600112.8S34 I39 Q40S34-E36 PolarHBondContact O-N 3.3Å; E36-I39 PolarHBondContact O-N 3.44Å; E36-Q40 WeakPolarHBondContact O-CG 3.3Å; E36-Q40 PolarHBondContact O-N 3.47Å
37C66.1Low62.1Low17 Ų1788.5 Ų88.512%0.11547%0.474CS..Hα-helixtrans-65.8-37.8173.3-92.20000112.9L33 S34 I39 Q40 C41 C73L33-C37 HydrophobicContact CD1-CB 4.41Å; L33-C37 HydrophobicContact CG-CB 4.13Å; S34-C37 WeakPolarHBondContact O-CA 3.48Å; S34-C37 WeakPolarHBondContact O-CB 3.4Å; S34-C37 PolarHBondContact O-N 3.42Å; S34-C37 WeakPolarHBondContact OG-CB 3.42Å; S34-C37 PolarHBondContact OG-N 2.89Å; S34-C37 VanDerWaalsContact OG-N 3.14Å; C37-I39 VanDerWaalsContact C-N 3.32Å; C37-I39 PolarHBondContact O-N 2.86Å; C37-Q40 PolarHBondContact O-N 3.29Å; C37-C41 VanDerWaalsContact O-CB 3.32Å; C37-C41 WeakPolarHBondContact O-CB 3.48Å; C37-C41 PolarHBondContact O-N 2.99Å; C37-C41 PolarHBondContact O-SG 3.22Å; C37-C73 HydrophobicContact CB-CB 3.44Å; C37-C73 VanDerWaalsContact CB-CB 3.44Å; C37-C73 WeakPolarHBondContact CB-SG 3.41Å; C37-C73 VanDerWaalsContact SG-CA 3.58Å; C37-C73 WeakPolarHBondContact SG-CB 3.21Å; C37-C73 CovalentContact SG-SG 2.01Å; C37-C73 PolarHBondContact SG-SG 2.7Å
38T65.4Low63Low76 Ų7683.5 Ų83.547%0.46645%0.45SS..Hα-helixtrans-62.4-42174.5-52.50000111.2S34 I35 G42S34-T38 PolarHBondContact O-N 3.46Å; S34-T38 PolarHBondContact O-OG1 3.3Å; I35-T38 WeakPolarHBondContact O-CB 3.48Å; I35-T38 PolarHBondContact O-N 2.99Å; T38-G42 WeakPolarHBondContact O-CA 3.46Å; T38-G42 PolarHBondContact O-N 3.34Å
39I67.9Low63.8Low108 Ų10886.5 Ų86.555%0.55446%0.456SS*.Hα-helixtrans-66.6-48.6177.2-67.8165.2000110.4I35 E36 C37 G42 V43I35-I39 HydrophobicContact CG2-CD1 3.82Å; I35-I39 HydrophobicContact CG2-CG1 4.43Å; I35-I39 VanDerWaalsContact O-CG1 3.26Å; I35-I39 WeakPolarHBondContact O-CG1 3.46Å; I35-I39 PolarHBondContact O-N 2.92Å; E36-I39 PolarHBondContact O-N 3.44Å; C37-I39 VanDerWaalsContact C-N 3.32Å; C37-I39 PolarHBondContact O-N 2.86Å; I39-G42 PolarHBondContact O-N 2.88Å; I39-V43 WeakPolarHBondContact O-CG2 3.32Å; I39-V43 PolarHBondContact O-N 3.49Å
40Q68.5Low64.5Low114 Ų11486.2 Ų86.253%0.53345%0.449SS..Hα-helixtrans-61.7-47.4-179.9-75.6-172.30.300112E36 C37 G42 V43 E44E36-Q40 WeakPolarHBondContact O-CG 3.3Å; E36-Q40 PolarHBondContact O-N 3.47Å; C37-Q40 PolarHBondContact O-N 3.29Å; Q40-G42 VanDerWaalsContact C-N 3.29Å; Q40-G42 PolarHBondContact O-N 3.01Å; Q40-V43 PolarHBondContact O-N 2.84Å; Q40-E44 PolarHBondContact O-N 2.84Å
41C71.3Confident65.1Low11 Ų1187.7 Ų87.77%0.07446%0.461CS..Hα-helixtrans-69.3-29.9177.2-56.60000112C37 V43 E44 A45 C69C37-C41 VanDerWaalsContact O-CB 3.32Å; C37-C41 WeakPolarHBondContact O-CB 3.48Å; C37-C41 PolarHBondContact O-N 2.99Å; C37-C41 PolarHBondContact O-SG 3.22Å; C41-V43 VanDerWaalsContact C-N 3.34Å; C41-V43 PolarHBondContact O-N 3.33Å; C41-E44 PolarHBondContact O-N 3.35Å; C41-A45 PolarHBondContact O-N 3.2Å; C41-C69 WeakPolarHBondContact CA-SG 3.44Å; C41-C69 HydrophobicContact CB-CB 3.91Å; C41-C69 WeakPolarHBondContact CB-SG 3.26Å; C41-C69 WeakPolarHBondContact SG-CB 3.39Å; C41-C69 CovalentContact SG-SG 2.04Å; C41-C69 PolarHBondContact SG-SG 2.8Å
42G69.8Low65.4Low36 Ų3686 Ų8637%0.37145%0.454SS..Hα-helixtrans-64.9-33.117300000113.4T38 I39 Q40 A45 D46T38-G42 WeakPolarHBondContact O-CA 3.46Å; T38-G42 PolarHBondContact O-N 3.34Å; I39-G42 PolarHBondContact O-N 2.88Å; Q40-G42 VanDerWaalsContact C-N 3.29Å; Q40-G42 PolarHBondContact O-N 3.01Å; G42-A45 WeakPolarHBondContact O-CB 3.08Å; G42-A45 PolarHBondContact O-N 2.92Å; G42-D46 PolarHBondContact O-N 3.41Å
43V71.5Confident65.7Low72 Ų7278.3 Ų78.344%0.43642%0.422SS..Hα-helixtrans-67.1-38.6173.4173.50000111.2I39 Q40 C41 A45 D46 K47I39-V43 WeakPolarHBondContact O-CG2 3.32Å; I39-V43 PolarHBondContact O-N 3.49Å; Q40-V43 PolarHBondContact O-N 2.84Å; C41-V43 VanDerWaalsContact C-N 3.34Å; C41-V43 PolarHBondContact O-N 3.33Å; V43-A45 VanDerWaalsContact C-N 3.3Å; V43-D46 PolarHBondContact O-N 3.47Å; V43-K47 WeakPolarHBondContact O-CG 3.31Å; V43-K47 PolarHBondContact O-N 3.42Å
44E67.6Low66.2Low51 Ų5181.6 Ų81.624%0.23844%0.444CS..Hα-helixtrans-65.4-36172.9-71.4-59.6130.300111.5Q40 C41 K47 C48Q40-E44 PolarHBondContact O-N 2.84Å; C41-E44 PolarHBondContact O-N 3.35Å; E44-K47 PolarHBondContact O-N 3.26Å; E44-K47 IonicContact OE1-NZ 2.71Å; E44-K47 PolarHBondContact OE1-NZ 2.98Å; E44-C48 PolarHBondContact O-N 3.27Å; E44-C48 VanDerWaalsContact O-N 3.1Å
45A67.6Low66.7Low28 Ų2882 Ų8223%0.23145%0.445CS..Hα-helixtrans-64.1-43172.600000113.2C41 G42 V43 K47 C48 Q49 M66C41-A45 PolarHBondContact O-N 3.2Å; G42-A45 WeakPolarHBondContact O-CB 3.08Å; G42-A45 PolarHBondContact O-N 2.92Å; V43-A45 VanDerWaalsContact C-N 3.3Å; A45-K47 PolarHBondContact O-N 2.97Å; A45-C48 WeakPolarHBondContact O-CB 3.39Å; A45-C48 PolarHBondContact O-N 3.35Å; A45-Q49 PolarHBondContact O-N 3.06Å; A45-M66 VanDerWaalsContact CA-CE 3.41Å; A45-M66 HydrophobicContact CB-CE 3.41Å; A45-M66 VanDerWaalsContact CB-CE 3.41Å; A45-M66 HydrophobicContact CB-CG 4.4Å; A45-M66 HydrophobicContact CB-SD 3.72Å
46D71.3Confident67.2Low66 Ų6682.3 Ų82.335%0.35344%0.443SS..Hα-helixtrans-64.7-39176.7-178.270.1000111.8G42 V43 C48 Q49 K50G42-D46 PolarHBondContact O-N 3.41Å; V43-D46 PolarHBondContact O-N 3.47Å; D46-C48 VanDerWaalsContact C-N 3.31Å; D46-C48 PolarHBondContact O-N 2.79Å; D46-Q49 PolarHBondContact O-N 3.06Å; D46-K50 WeakPolarHBondContact O-CB 3.48Å; D46-K50 WeakPolarHBondContact O-CG 3.32Å; D46-K50 PolarHBondContact O-N 3.34Å; D46-K50 IonicContact OD1-NZ 3.74Å; D46-K50 WeakPolarHBondContact OD2-CD 3.42Å; D46-K50 WeakPolarHBondContact OD2-CE 3.18Å; D46-K50 IonicContact OD2-NZ 2.67Å; D46-K50 PolarHBondContact OD2-NZ 3.14Å
47K69.6Low67.8Low111 Ų11179.7 Ų79.748%0.48344%0.438SS..Hα-helixtrans-59.5-43.4172.6-73.9175.2-172.1168.90111.5V43 E44 A45 K50 A51V43-K47 WeakPolarHBondContact O-CG 3.31Å; V43-K47 PolarHBondContact O-N 3.42Å; E44-K47 PolarHBondContact O-N 3.26Å; E44-K47 IonicContact OE1-NZ 2.71Å; E44-K47 PolarHBondContact OE1-NZ 2.98Å; A45-K47 PolarHBondContact O-N 2.97Å; K47-K50 PolarHBondContact O-N 3.17Å; K47-A51 WeakPolarHBondContact O-CB 3.32Å; K47-A51 PolarHBondContact O-N 3.44Å
48C69.3Low67.9Low14 Ų1482.8 Ų82.810%0.09545%0.453CS..Hα-helixtrans-65.5-38.5177.8-85.40000113.2E44 A45 D46 C62 M66E44-C48 PolarHBondContact O-N 3.27Å; E44-C48 VanDerWaalsContact O-N 3.1Å; A45-C48 WeakPolarHBondContact O-CB 3.39Å; A45-C48 PolarHBondContact O-N 3.35Å; D46-C48 VanDerWaalsContact C-N 3.31Å; D46-C48 PolarHBondContact O-N 2.79Å; C48-C62 VanDerWaalsContact CA-SG 3.6Å; C48-C62 HydrophobicContact CB-CB 3.56Å; C48-C62 WeakPolarHBondContact CB-SG 3.31Å; C48-C62 WeakPolarHBondContact SG-CA 3.32Å; C48-C62 WeakPolarHBondContact SG-CB 3.32Å; C48-C62 CovalentContact SG-SG 2.01Å; C48-C62 PolarHBondContact SG-SG 2.95Å; C48-M66 HydrophobicContact CB-CE 4.32Å
49Q68.3Low68.1Low159 Ų15983.1 Ų83.174%0.74345%0.451SS*.Hα-helixtrans-69.5-41.8175.3-169173.4-4.300111.7A45 D46 Q52A45-Q49 PolarHBondContact O-N 3.06Å; D46-Q49 PolarHBondContact O-N 3.06Å; Q49-Q52 PolarHBondContact O-N 2.01Å
50K68.6Low68.4Low154 Ų15483.6 Ų83.667%0.6745%0.451SS*.Hα-helixtrans-69-31.4176.3-76.5176.4178161.70113.3D46 K47 Q52D46-K50 WeakPolarHBondContact O-CB 3.48Å; D46-K50 WeakPolarHBondContact O-CG 3.32Å; D46-K50 PolarHBondContact O-N 3.34Å; D46-K50 IonicContact OD1-NZ 3.74Å; D46-K50 WeakPolarHBondContact OD2-CD 3.42Å; D46-K50 WeakPolarHBondContact OD2-CE 3.18Å; D46-K50 IonicContact OD2-NZ 2.67Å; D46-K50 PolarHBondContact OD2-NZ 3.14Å; K47-K50 PolarHBondContact O-N 3.17Å; K50-Q52 PolarHBondContact O-N 2.93Å
51A62.3Low68.7Low71 Ų7180.6 Ų80.659%0.58745%0.445SS*.THydrogen-bonded Turntrans-69.13.2176.800000113.7K47 A53K47-A51 WeakPolarHBondContact O-CB 3.32Å; K47-A51 PolarHBondContact O-N 3.44Å; A51-A53 VanDerWaalsContact C-N 3.34Å; A51-A53 PolarHBondContact O-N 2.04Å
52Q59.8Low68.9Low149 Ų14980.8 Ų80.870%0.69645%0.447SS*.THydrogen-bonded Turntrans46.258.8-175-70.8-173.6-900110.7Q49 K50 T54Q49-Q52 PolarHBondContact O-N 2.01Å; K50-Q52 PolarHBondContact O-N 2.93Å; Q52-T54 HydrophobicContact CB-CG2 4.25Å; Q52-T54 PolarHBondContact O-N 2.9Å; Q52-T54 PolarHBondContact O-OG1 3.08Å
53A58.9Low69Low27 Ų2783.2 Ų83.222%0.22346%0.455CS..  trans-62.477.8170.700000109.7A51 L58 I59A51-A53 VanDerWaalsContact C-N 3.34Å; A51-A53 PolarHBondContact O-N 2.04Å; A53-L58 HydrophobicContact CB-CB 3.75Å; A53-I59 HydrophobicContact CB-CG1 4.06Å; A53-I59 WeakPolarHBondContact O-CG1 3.44Å
54T63.8Low69.3Low116 Ų11685.3 Ų85.371%0.71246%0.459SS*.  trans-92.8-13.9-177.847.60000111.2Q52Q52-T54 HydrophobicContact CB-CG2 4.25Å; Q52-T54 PolarHBondContact O-N 2.9Å; Q52-T54 PolarHBondContact O-OG1 3.08Å
55T70.2Confident69.6Low65 Ų6588.3 Ų88.340%0.39947%0.472SS..SBendtrans-103.9138.9176.1670000110P57 L58 I59T55-P57 VanDerWaalsContact C-CD 3.42Å; T55-P57 VanDerWaalsContact C-N 3.32Å; T55-L58 WeakPolarHBondContact O-CB 3.48Å; T55-L58 PolarHBondContact O-N 3.3Å; T55-L58 WeakPolarHBondContact OG1-CD1 3.48Å; T55-L58 WeakPolarHBondContact OG1-CG 2.88Å; T55-I59 PolarHBondContact O-N 3.49Å; T55-I59 VanDerWaalsContact O-N 3.14Å
56Q71.3Confident69.8Low144 Ų14489.9 Ų89.967%0.67348%0.475SS*.Hα-helixtrans-48-42.4176-163.4159.5-0.600114.7L58 I59 E60Q56-L58 VanDerWaalsContact C-N 3.32Å; Q56-L58 PolarHBondContact O-N 2.93Å; Q56-I59 PolarHBondContact O-N 2.89Å; Q56-E60 WeakPolarHBondContact O-CG 3.42Å; Q56-E60 PolarHBondContact O-N 3.18Å
57P75.3Confident69.8Low85 Ų8593.1 Ų93.155%0.55249%0.486SS*.Hα-helixtrans-64.8-32.2175.924-35.8000113.8T55 A61T55-P57 VanDerWaalsContact C-CD 3.42Å; T55-P57 VanDerWaalsContact C-N 3.32Å; P57-A61 WeakPolarHBondContact O-CB 3.35Å; P57-A61 PolarHBondContact O-N 3.4Å
58L68.2Low70.1Confident81 Ų8192.8 Ų92.842%0.42449%0.486SS..Hα-helixtrans-69.4-39.4175.1-75.9166.5000110.9A53 T55 Q56 A61 C62A53-L58 HydrophobicContact CB-CB 3.75Å; T55-L58 WeakPolarHBondContact O-CB 3.48Å; T55-L58 PolarHBondContact O-N 3.3Å; T55-L58 WeakPolarHBondContact OG1-CD1 3.48Å; T55-L58 WeakPolarHBondContact OG1-CG 2.88Å; Q56-L58 VanDerWaalsContact C-N 3.32Å; Q56-L58 PolarHBondContact O-N 2.93Å; L58-A61 PolarHBondContact O-N 3.41Å; L58-C62 VanDerWaalsContact O-CB 3.25Å; L58-C62 WeakPolarHBondContact O-CB 3.49Å; L58-C62 PolarHBondContact O-N 2.84Å; L58-C62 PolarHBondContact O-SG 3.38Å
59I69Low70.2Confident83 Ų8393.4 Ų93.443%0.42649%0.491SS..Hα-helixtrans-63.9-46.2176.1-61.8171000110.1A53 T55 Q56 C62 V63A53-I59 HydrophobicContact CB-CG1 4.06Å; A53-I59 WeakPolarHBondContact O-CG1 3.44Å; T55-I59 PolarHBondContact O-N 3.49Å; T55-I59 VanDerWaalsContact O-N 3.14Å; Q56-I59 PolarHBondContact O-N 2.89Å; I59-C62 WeakPolarHBondContact O-CB 3.39Å; I59-C62 PolarHBondContact O-N 3.19Å; I59-V63 HydrophobicContact CG2-CG2 4.27Å; I59-V63 VanDerWaalsContact O-CG2 3.32Å; I59-V63 WeakPolarHBondContact O-CG2 3.34Å; I59-V63 PolarHBondContact O-N 3.28Å
60E75Confident70.3Confident119 Ų11987.9 Ų87.956%0.55647%0.468SS*.Hα-helixtrans-60.8-46.1177.6-74173.6-173.500111.9Q56 C62 V63 Q64Q56-E60 WeakPolarHBondContact O-CG 3.42Å; Q56-E60 PolarHBondContact O-N 3.18Å; E60-C62 VanDerWaalsContact C-N 3.27Å; E60-C62 PolarHBondContact O-N 3.26Å; E60-V63 PolarHBondContact O-N 2.97Å; E60-Q64 VanDerWaalsContact O-CB 3.31Å; E60-Q64 WeakPolarHBondContact O-CB 3.05Å; E60-Q64 PolarHBondContact O-N 3.45Å
61A74.5Confident70.4Confident50 Ų5087.2 Ų87.241%0.41347%0.465SS..Hα-helixtrans-60.3-38.7175.500000112.1P57 L58 K65P57-A61 WeakPolarHBondContact O-CB 3.35Å; P57-A61 PolarHBondContact O-N 3.4Å; L58-A61 PolarHBondContact O-N 3.41Å; A61-K65 WeakPolarHBondContact O-CG 3.46Å; A61-K65 PolarHBondContact O-N 3.32Å
62C74.1Confident70.8Confident16 Ų1691.3 Ų91.311%0.10847%0.471CS..Hα-helixtrans-67.5-46.4176.9-81.90000112.9C48 L58 I59 E60 Q64 K65 M66C48-C62 VanDerWaalsContact CA-SG 3.6Å; C48-C62 HydrophobicContact CB-CB 3.56Å; C48-C62 WeakPolarHBondContact CB-SG 3.31Å; C48-C62 WeakPolarHBondContact SG-CA 3.32Å; C48-C62 WeakPolarHBondContact SG-CB 3.32Å; C48-C62 CovalentContact SG-SG 2.01Å; C48-C62 PolarHBondContact SG-SG 2.95Å; L58-C62 VanDerWaalsContact O-CB 3.25Å; L58-C62 WeakPolarHBondContact O-CB 3.49Å; L58-C62 PolarHBondContact O-N 2.84Å; L58-C62 PolarHBondContact O-SG 3.38Å; I59-C62 WeakPolarHBondContact O-CB 3.39Å; I59-C62 PolarHBondContact O-N 3.19Å; E60-C62 VanDerWaalsContact C-N 3.27Å; E60-C62 PolarHBondContact O-N 3.26Å; C62-Q64 VanDerWaalsContact C-N 3.31Å; C62-Q64 PolarHBondContact O-N 2.86Å; C62-K65 PolarHBondContact O-N 3.35Å; C62-M66 WeakPolarHBondContact O-CG 3.22Å; C62-M66 PolarHBondContact O-N 3.45Å
63V73.4Confident71.1Confident87 Ų8785.9 Ų85.953%0.52745%0.45SS..Hα-helixtrans-63-41.2175.81720000110.4I59 E60 M66 F67I59-V63 HydrophobicContact CG2-CG2 4.27Å; I59-V63 VanDerWaalsContact O-CG2 3.32Å; I59-V63 WeakPolarHBondContact O-CG2 3.34Å; I59-V63 PolarHBondContact O-N 3.28Å; E60-V63 PolarHBondContact O-N 2.97Å; V63-M66 PolarHBondContact O-N 3.28Å; V63-F67 WeakPolarHBondContact O-CB 3.42Å; V63-F67 PolarHBondContact O-N 3.49Å
64Q76.7Confident71.3Confident115 Ų11588 Ų8854%0.53746%0.46SS..Hα-helixtrans-61.7-45.2176.8-172.3-179.8-23.300111.5E60 C62 M66 F67 E68E60-Q64 VanDerWaalsContact O-CB 3.31Å; E60-Q64 WeakPolarHBondContact O-CB 3.05Å; E60-Q64 PolarHBondContact O-N 3.45Å; C62-Q64 VanDerWaalsContact C-N 3.31Å; C62-Q64 PolarHBondContact O-N 2.86Å; Q64-M66 PolarHBondContact O-N 2.92Å; Q64-F67 PolarHBondContact O-N 3.08Å; Q64-E68 PolarHBondContact NE2-OE1 2.94Å; Q64-E68 WeakPolarHBondContact O-CG 3.27Å; Q64-E68 PolarHBondContact O-N 2.84Å
65K74.2Confident71Confident115 Ų11584 Ų8450%0.544%0.441SS..Hα-helixtrans-61-42.1174.7-81.8-171.4172.1-169.30113.1A61 C62 F67 E68 C69A61-K65 WeakPolarHBondContact O-CG 3.46Å; A61-K65 PolarHBondContact O-N 3.32Å; C62-K65 PolarHBondContact O-N 3.35Å; K65-F67 VanDerWaalsContact C-N 3.31Å; K65-F67 PolarHBondContact O-N 3.25Å; K65-E68 PolarHBondContact O-N 2.99Å; K65-C69 WeakPolarHBondContact O-CB 3.41Å; K65-C69 PolarHBondContact O-N 3.44Å
66M71.6Confident70.2Confident61 Ų6186.1 Ų86.130%0.346%0.456SS..Hα-helixtrans-61.8-42.6174.7-69.4-175.2-146.500111A45 C48 C62 V63 Q64 C69 V70A45-M66 VanDerWaalsContact CA-CE 3.41Å; A45-M66 HydrophobicContact CB-CE 3.41Å; A45-M66 VanDerWaalsContact CB-CE 3.41Å; A45-M66 HydrophobicContact CB-CG 4.4Å; A45-M66 HydrophobicContact CB-SD 3.72Å; C48-M66 HydrophobicContact CB-CE 4.32Å; C62-M66 WeakPolarHBondContact O-CG 3.22Å; C62-M66 PolarHBondContact O-N 3.45Å; V63-M66 PolarHBondContact O-N 3.28Å; Q64-M66 PolarHBondContact O-N 2.92Å; M66-C69 WeakPolarHBondContact O-CB 2.85Å; M66-C69 PolarHBondContact O-N 3.32Å; M66-V70 WeakPolarHBondContact O-CG2 3.44Å; M66-V70 PolarHBondContact O-N 3.47Å
67F72.5Confident69.2Low133 Ų13384.5 Ų84.558%0.58346%0.458SS*.Hα-helixtrans-66-40.5178.3-167.6-96.3000112.3V63 Q64 K65 C69 V70 K71V63-F67 WeakPolarHBondContact O-CB 3.42Å; V63-F67 PolarHBondContact O-N 3.49Å; Q64-F67 PolarHBondContact O-N 3.08Å; K65-F67 VanDerWaalsContact C-N 3.31Å; K65-F67 PolarHBondContact O-N 3.25Å; F67-C69 VanDerWaalsContact C-N 3.35Å; F67-V70 PolarHBondContact O-N 3.02Å; F67-K71 WeakPolarHBondContact O-CB 3.44Å; F67-K71 PolarHBondContact O-N 2.94Å
68E74.4Confident67.8Low105 Ų10585.5 Ų85.549%0.49146%0.464SS..Hα-helixtrans-61.7-42.5173-76.5173.5-169.200111.5Q64 K65 K71 H72Q64-E68 PolarHBondContact NE2-OE1 2.94Å; Q64-E68 WeakPolarHBondContact O-CG 3.27Å; Q64-E68 PolarHBondContact O-N 2.84Å; K65-E68 PolarHBondContact O-N 2.99Å; E68-K71 PolarHBondContact O-N 2.9Å; E68-H72 PolarHBondContact O-N 3.37Å
69C73.2Confident66.7Low27 Ų2787.6 Ų87.618%0.18248%0.48CS..Hα-helixtrans-62.3-49.5175.9-174.90000111.6C41 K65 M66 F67 K71 H72 C73C41-C69 WeakPolarHBondContact CA-SG 3.44Å; C41-C69 HydrophobicContact CB-CB 3.91Å; C41-C69 WeakPolarHBondContact CB-SG 3.26Å; C41-C69 WeakPolarHBondContact SG-CB 3.39Å; C41-C69 CovalentContact SG-SG 2.04Å; C41-C69 PolarHBondContact SG-SG 2.8Å; K65-C69 WeakPolarHBondContact O-CB 3.41Å; K65-C69 PolarHBondContact O-N 3.44Å; M66-C69 WeakPolarHBondContact O-CB 2.85Å; M66-C69 PolarHBondContact O-N 3.32Å; F67-C69 VanDerWaalsContact C-N 3.35Å; C69-K71 VanDerWaalsContact C-N 3.32Å; C69-K71 PolarHBondContact O-N 2.87Å; C69-H72 PolarHBondContact O-N 2.93Å; C69-C73 WeakPolarHBondContact O-CB 3.33Å; C69-C73 PolarHBondContact O-N 3.02Å; C69-C73 VanDerWaalsContact O-N 3.08Å; C69-C73 PolarHBondContact O-SG 3.04Å; C69-C73 VanDerWaalsContact O-SG 3.34Å
70V70.3Confident65.5Low43 Ų4390 Ų9026%0.26149%0.489SS..Hα-helixtrans-61.5-41.7176.71730000110.8L33 M66 F67 H72 C73 T74L33-V70 HydrophobicContact CD1-CG1 4.12Å; M66-V70 WeakPolarHBondContact O-CG2 3.44Å; M66-V70 PolarHBondContact O-N 3.47Å; F67-V70 PolarHBondContact O-N 3.02Å; V70-H72 VanDerWaalsContact C-N 3.3Å; V70-H72 PolarHBondContact O-N 2.83Å; V70-C73 CarbonylContact O-C 3.52Å; V70-C73 WeakPolarHBondContact O-CA 3.22Å; V70-C73 WeakPolarHBondContact O-CB 3.49Å; V70-C73 PolarHBondContact O-N 3.09Å; V70-T74 HydrophobicContact CG1-CG2 4.02Å; V70-T74 PolarHBondContact O-N 2.98Å; V70-T74 PolarHBondContact O-OG1 3.39Å; V70-T74 VanDerWaalsContact O-OG1 3.06Å
71K70.1Confident63.9Low139 Ų13990.2 Ų90.260%0.60450%0.495SS*.Hα-helixtrans-62.5-37177-175.1-179178.5-175.90112.3F67 E68 C69 C73 G75F67-K71 WeakPolarHBondContact O-CB 3.44Å; F67-K71 PolarHBondContact O-N 2.94Å; E68-K71 PolarHBondContact O-N 2.9Å; C69-K71 VanDerWaalsContact C-N 3.32Å; C69-K71 PolarHBondContact O-N 2.87Å; K71-C73 PolarHBondContact O-N 2.96Å; K71-G75 WeakPolarHBondContact O-CA 3.33Å; K71-G75 PolarHBondContact O-N 3.06Å
72H69.3Low62.3Low158 Ų15897.7 Ų97.773%0.73151%0.514SS*.Hα-helixtrans-67.5-29.3174.7-158.353.2000112E68 C69 V70E68-H72 PolarHBondContact O-N 3.37Å; C69-H72 PolarHBondContact O-N 2.93Å; V70-H72 VanDerWaalsContact C-N 3.3Å; V70-H72 PolarHBondContact O-N 2.83Å
73C66Low60.5Low35 Ų35105.2 Ų105.224%0.23654%0.541CS..Hα-helixtrans-84.7-33.8180-760000115.1L33 C37 C69 V70 K71L33-C73 HydrophobicContact CD1-CB 3.78Å; C37-C73 HydrophobicContact CB-CB 3.44Å; C37-C73 VanDerWaalsContact CB-CB 3.44Å; C37-C73 WeakPolarHBondContact CB-SG 3.41Å; C37-C73 VanDerWaalsContact SG-CA 3.58Å; C37-C73 WeakPolarHBondContact SG-CB 3.21Å; C37-C73 CovalentContact SG-SG 2.01Å; C37-C73 PolarHBondContact SG-SG 2.7Å; C69-C73 WeakPolarHBondContact O-CB 3.33Å; C69-C73 PolarHBondContact O-N 3.02Å; C69-C73 VanDerWaalsContact O-N 3.08Å; C69-C73 PolarHBondContact O-SG 3.04Å; C69-C73 VanDerWaalsContact O-SG 3.34Å; V70-C73 CarbonylContact O-C 3.52Å; V70-C73 WeakPolarHBondContact O-CA 3.22Å; V70-C73 WeakPolarHBondContact O-CB 3.49Å; V70-C73 PolarHBondContact O-N 3.09Å; K71-C73 PolarHBondContact O-N 2.96Å
74T62.9Low58.7Low72 Ų72111.1 Ų111.144%0.44256%0.555SS.*Hα-helixtrans-100.2-9.1179.361.60000112.9A30 L33 V70A30-T74 HydrophobicContact CB-CG2 3.78Å; L33-T74 HydrophobicContact CD1-CG2 3.25Å; V70-T74 HydrophobicContact CG1-CG2 4.02Å; V70-T74 PolarHBondContact O-N 2.98Å; V70-T74 PolarHBondContact O-OG1 3.39Å; V70-T74 VanDerWaalsContact O-OG1 3.06Å
75G59.1Low56.9Low30 Ų30120.3 Ų120.331%0.30959%0.587SS.*SBendtrans-72.5148.417800000110.9K71K71-G75 WeakPolarHBondContact O-CA 3.33Å; K71-G75 PolarHBondContact O-N 3.06Å
76P52.1Low56Low111 Ų111120.6 Ų120.672%0.72159%0.592SS**PPolyproline II helixtrans-54.5146.7163.426.2-32.4000108.3
77P50.2Low55.2Low109 Ų109123.7 Ų123.771%0.70861%0.607SS**PPolyproline II helixtrans-48.7142.8172.122.9-33000108.1V79P77-V79 PolarHBondContact O-N 2.72Å
78P46.8Very low54.3Low106 Ų106123.2 Ų123.269%0.68861%0.608SS**PPolyproline II helixtrans-48.8121.4173.922.3-31.5000106.1E80P78-E80 PolarHBondContact O-N 2.93Å
79V45.4Very low53.1Low125 Ų125124.3 Ų124.376%0.75862%0.615SS**  trans-61.794.4169.7-1790000102.9P77 D81P77-V79 PolarHBondContact O-N 2.72Å; V79-D81 VanDerWaalsContact C-N 3.31Å; V79-D81 PolarHBondContact O-N 2.96Å
80E43.1Very low51.8Low133 Ų133130.4 Ų130.462%0.62164%0.642SS**  trans-51.2113.5156.4-77.4-174.9155.500103.3P78 Y82P78-E80 PolarHBondContact O-N 2.93Å; E80-Y82 HydrophobicContact CB-CD2 4.2Å; E80-Y82 HydrophobicContact CB-CE2 3.99Å; E80-Y82 WeakPolarHBondContact O-CD2 3.32Å; E80-Y82 PolarHBondContact O-N 2.67Å
81D42.9Very low50.6Low124 Ų124136.2 Ų136.266%0.66367%0.668SS**  trans-52.885.1168.9-86.5-41.1000107.2V79 Y83V79-D81 VanDerWaalsContact C-N 3.31Å; V79-D81 PolarHBondContact O-N 2.96Å; D81-Y83 HydrophobicContact CB-CD2 3.76Å; D81-Y83 HydrophobicContact CB-CE2 4.48Å; D81-Y83 PolarHBondContact O-N 2.8Å; D81-Y83 WeakPolarHBondContact OD1-CD2 3.41Å; D81-Y83 VanDerWaalsContact OD1-CE2 3.32Å; D81-Y83 WeakPolarHBondContact OD1-CE2 3.32Å
82Y39.4Very low49.2Very low208 Ų208136 Ų13682%0.81667%0.672SS**  trans-70.460.7159.6-77.8-87.7000106.9E80E80-Y82 HydrophobicContact CB-CD2 4.2Å; E80-Y82 HydrophobicContact CB-CE2 3.99Å; E80-Y82 WeakPolarHBondContact O-CD2 3.32Å; E80-Y82 PolarHBondContact O-N 2.67Å
83Y36.6Very low47.6Very low174 Ų174134.3 Ų134.368%0.68267%0.668SS**  trans-83.6126.3161-89.4-92.9000106.8D81D81-Y83 HydrophobicContact CB-CD2 3.76Å; D81-Y83 HydrophobicContact CB-CE2 4.48Å; D81-Y83 PolarHBondContact O-N 2.8Å; D81-Y83 WeakPolarHBondContact OD1-CD2 3.41Å; D81-Y83 VanDerWaalsContact OD1-CE2 3.32Å; D81-Y83 WeakPolarHBondContact OD1-CE2 3.32Å
84Y35.3Very low46.1Very low211 Ų211142.6 Ų142.683%0.82770%0.704SS**  trans87.392.9168.9-61.1-84000118.4
85Y39.7Very low44.6Very low308 Ų308149 Ų149100%1.20873%0.727SS**  -1340125-112-82.5000109.6

Retrieved 85 of 85 residues in 114.6 ms (Link to these results)