A0A5K4F219_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F219, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 118 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
1M47.2Very low67.3Low242 Ų24298.4 Ų98.4100%1.19255%0.547SS*.  010.90-98.1177.5163.100113.8
2L53.9Low68.7Low136 Ų136100.4 Ų100.471%0.71255%0.546SS*.  trans-82.6118166.8-72.9132.3000108F4 E5L2-F4 PolarHBondContact O-N 3.13Å; L2-E5 PolarHBondContact O-N 2.94Å
3L58.2Low69.8Low113 Ų11399.4 Ų99.459%0.59254%0.539SS*.THydrogen-bonded Turntrans-53-15.6173-81.8161.1000112.9Y61L3-Y61 HydrophobicContact CD2-CE2 4.19Å; L3-Y61 WeakPolarHBondContact CD2-OH 3.44Å
4F60.9Low70.9Confident36 Ų3698.4 Ų98.416%0.15853%0.527CS..THydrogen-bonded Turntrans-11818.6-166.9-55.1-73000115L2 G6 E7 L10 F11 F14 F57L2-F4 PolarHBondContact O-N 3.13Å; F4-G6 PolarHBondContact O-N 3.4Å; F4-E7 PolarHBondContact O-N 3.02Å; F4-L10 HydrophobicContact CD1-CB 3.64Å; F4-L10 VanDerWaalsContact CE1-C 3.4Å; F4-L10 HydrophobicContact CE1-CB 3.88Å; F4-L10 WeakPolarHBondContact CE1-O 3.31Å; F4-F11 HydrophobicContact CB-CB 4.23Å; F4-F11 HydrophobicContact CD1-CB 3.8Å; F4-F11 VanDerWaalsContact CD1-N 3.31Å; F4-F11 HydrophobicContact CD2-CB 3.98Å; F4-F11 AromaticContact CD2-CD2 3.59Å; F4-F11 HydrophobicContact CD2-CD2 3.59Å; F4-F11 HydrophobicContact CD2-CG 4.22Å; F4-F11 VanDerWaalsContact CE1-CA 3.5Å; F4-F11 HydrophobicContact CE1-CB 4.11Å; F4-F11 HydrophobicContact CE2-CB 4.3Å; F4-F11 AromaticContact CE2-CD2 3.54Å; F4-F11 HydrophobicContact CE2-CD2 3.54Å; F4-F11 HydrophobicContact CE2-CE2 4.4Å; F4-F11 HydrophobicContact CE2-CG 4.41Å; F4-F11 HydrophobicContact CG-CB 3.72Å; F4-F11 HydrophobicContact CG-CD2 4.23Å; F4-F11 HydrophobicContact CG-CG 4.43Å; F4-F11 HydrophobicContact CZ-CB 4.34Å; F4-F11 HydrophobicContact CZ-CD2 4.12Å; F4-F14 HydrophobicContact CE1-CB 4.41Å; F4-F14 HydrophobicContact CZ-CB 4.06Å; F4-F14 HydrophobicContact CZ-CD1 4.35Å; F4-F14 HydrophobicContact CZ-CG 4.22Å; F4-F57 AromaticContact CE1-CE2 3.77Å; F4-F57 HydrophobicContact CE1-CE2 3.77Å; F4-F57 AromaticContact CE1-CZ 3.71Å; F4-F57 HydrophobicContact CE1-CZ 3.71Å; F4-F57 HydrophobicContact CZ-CE2 4.48Å; F4-F57 HydrophobicContact CZ-CZ 4.1Å
5E66.1Low72Confident155 Ų15595.8 Ų95.872%0.72451%0.513SS*.THydrogen-bonded Turntrans-54.8100.3179.8-162.7170.8-167.900111.3L2L2-E5 PolarHBondContact O-N 2.94Å
6G66.5Low73Confident72 Ų7296.2 Ų96.274%0.74251%0.513SS*.THydrogen-bonded Turntrans102.7-4.6178.100000117.5F4F4-G6 PolarHBondContact O-N 3.4Å
7E70.4Confident73.9Confident71 Ų7190.5 Ų90.533%0.33248%0.483SS..  trans-140.391.2178.2-87.8177.9-174.900112.6F4 A9 L10 K64F4-E7 PolarHBondContact O-N 3.02Å; E7-A9 PolarHBondContact O-N 3.46Å; E7-L10 HydrophobicContact CB-CB 4.46Å; E7-L10 HydrophobicContact CB-CD1 4.11Å; E7-L10 HydrophobicContact CB-CG 4.36Å; E7-L10 PolarHBondContact O-N 2.98Å; E7-L10 WeakPolarHBondContact OE2-CD1 3.44Å; E7-K64 IonicContact OE1-NZ 2.58Å; E7-K64 PolarHBondContact OE1-NZ 2.94Å; E7-K64 IonicContact OE2-NZ 2.65Å; E7-K64 PolarHBondContact OE2-NZ 3.29Å
8P78.3Confident74.6Confident88 Ų8889.1 Ų89.157%0.57148%0.479SS*.Hα-helixtrans-63.8-25.6176.627.1-34.7000112.3L10 F11 F12P8-L10 VanDerWaalsContact C-N 3.31Å; P8-L10 PolarHBondContact O-N 3.36Å; P8-F11 WeakPolarHBondContact O-CB 3.43Å; P8-F11 PolarHBondContact O-N 3.38Å; P8-F11 VanDerWaalsContact O-N 3.08Å; P8-F12 HydrophobicContact CB-CD2 4.37Å; P8-F12 HydrophobicContact CB-CE2 4.05Å; P8-F12 WeakPolarHBondContact O-CD2 3.29Å; P8-F12 PolarHBondContact O-N 3.14Å
9A79Confident75.5Confident61 Ų6189 Ų8950%0.50448%0.477SS..Hα-helixtrans-59.4-39.717800000112.9E7 F11 F12 L13E7-A9 PolarHBondContact O-N 3.46Å; A9-F11 VanDerWaalsContact C-N 3.29Å; A9-F11 PolarHBondContact O-N 3.25Å; A9-F12 PolarHBondContact O-N 2.86Å; A9-L13 WeakPolarHBondContact O-CB 3.3Å; A9-L13 WeakPolarHBondContact O-CG 3.4Å; A9-L13 PolarHBondContact O-N 2.99Å
10L78.6Confident76.3Confident18 Ų1885.4 Ų85.49%0.09446%0.459CS..Hα-helixtrans-64.2-36.4176.1-82.3175.7000111.4F4 E7 P8 F14 F57F4-L10 HydrophobicContact CD1-CB 3.64Å; F4-L10 VanDerWaalsContact CE1-C 3.4Å; F4-L10 HydrophobicContact CE1-CB 3.88Å; F4-L10 WeakPolarHBondContact CE1-O 3.31Å; E7-L10 HydrophobicContact CB-CB 4.46Å; E7-L10 HydrophobicContact CB-CD1 4.11Å; E7-L10 HydrophobicContact CB-CG 4.36Å; E7-L10 PolarHBondContact O-N 2.98Å; E7-L10 WeakPolarHBondContact OE2-CD1 3.44Å; P8-L10 VanDerWaalsContact C-N 3.31Å; P8-L10 PolarHBondContact O-N 3.36Å; L10-F14 WeakPolarHBondContact O-CB 3.47Å; L10-F14 PolarHBondContact O-N 3.41Å; L10-F57 HydrophobicContact CB-CE2 3.87Å; L10-F57 HydrophobicContact CD2-CD2 3.6Å; L10-F57 HydrophobicContact CD2-CE2 3.59Å; L10-F57 HydrophobicContact CG-CE2 4.26Å; L10-F57 VanDerWaalsContact O-CE2 3.31Å; L10-F57 WeakPolarHBondContact O-CE2 3.37Å
11F81.3Confident77Confident90 Ų9083.5 Ų83.540%0.39545%0.449SS..Hα-helixtrans-67-46175.9178.6-110.3000111.6F4 P8 A9 F14 I15F4-F11 HydrophobicContact CB-CB 4.23Å; F4-F11 HydrophobicContact CD1-CB 3.8Å; F4-F11 VanDerWaalsContact CD1-N 3.31Å; F4-F11 HydrophobicContact CD2-CB 3.98Å; F4-F11 AromaticContact CD2-CD2 3.59Å; F4-F11 HydrophobicContact CD2-CD2 3.59Å; F4-F11 HydrophobicContact CD2-CG 4.22Å; F4-F11 VanDerWaalsContact CE1-CA 3.5Å; F4-F11 HydrophobicContact CE1-CB 4.11Å; F4-F11 HydrophobicContact CE2-CB 4.3Å; F4-F11 AromaticContact CE2-CD2 3.54Å; F4-F11 HydrophobicContact CE2-CD2 3.54Å; F4-F11 HydrophobicContact CE2-CE2 4.4Å; F4-F11 HydrophobicContact CE2-CG 4.41Å; F4-F11 HydrophobicContact CG-CB 3.72Å; F4-F11 HydrophobicContact CG-CD2 4.23Å; F4-F11 HydrophobicContact CG-CG 4.43Å; F4-F11 HydrophobicContact CZ-CB 4.34Å; F4-F11 HydrophobicContact CZ-CD2 4.12Å; P8-F11 WeakPolarHBondContact O-CB 3.43Å; P8-F11 PolarHBondContact O-N 3.38Å; P8-F11 VanDerWaalsContact O-N 3.08Å; A9-F11 VanDerWaalsContact C-N 3.29Å; A9-F11 PolarHBondContact O-N 3.25Å; F11-F14 PolarHBondContact O-N 3.46Å; F11-I15 HydrophobicContact CD1-CD1 3.74Å; F11-I15 HydrophobicContact CD2-CD1 4.29Å; F11-I15 HydrophobicContact CE1-CD1 3.29Å; F11-I15 HydrophobicContact CE1-CG1 4.5Å; F11-I15 HydrophobicContact CE2-CD1 3.91Å; F11-I15 HydrophobicContact CE2-CG1 4.44Å; F11-I15 HydrophobicContact CG-CD1 4.25Å; F11-I15 HydrophobicContact CZ-CD1 3.41Å; F11-I15 VanDerWaalsContact CZ-CD1 3.41Å; F11-I15 HydrophobicContact CZ-CG1 4.38Å; F11-I15 WeakPolarHBondContact O-CG1 3.35Å; F11-I15 PolarHBondContact O-N 2.94Å
12F83.8Confident79.2Confident123 Ų12377 Ų7754%0.53942%0.418SS..Hα-helixtrans-63.1-43.4176.1-70.7-64.4000112.4P8 A9 F14 I15 I16P8-F12 HydrophobicContact CB-CD2 4.37Å; P8-F12 HydrophobicContact CB-CE2 4.05Å; P8-F12 WeakPolarHBondContact O-CD2 3.29Å; P8-F12 PolarHBondContact O-N 3.14Å; A9-F12 PolarHBondContact O-N 2.86Å; F12-F14 VanDerWaalsContact C-N 3.31Å; F12-F14 PolarHBondContact O-N 2.82Å; F12-I15 PolarHBondContact O-N 2.8Å; F12-I16 WeakPolarHBondContact O-CB 3.4Å; F12-I16 VanDerWaalsContact O-CG1 3.25Å; F12-I16 WeakPolarHBondContact O-CG1 3.44Å; F12-I16 PolarHBondContact O-N 2.87Å
13L83.2Confident81.1Confident87 Ų8775 Ų7546%0.45541%0.408SS..Hα-helixtrans-59.6-43.3175-76.6173.2000111.5A9 I16 S17A9-L13 WeakPolarHBondContact O-CB 3.3Å; A9-L13 WeakPolarHBondContact O-CG 3.4Å; A9-L13 PolarHBondContact O-N 2.99Å; L13-I16 PolarHBondContact O-N 3.18Å; L13-S17 WeakPolarHBondContact O-CB 3.18Å; L13-S17 PolarHBondContact O-N 3.48Å
14F84.7Confident82.6Confident85 Ų8569.7 Ų69.737%0.37338%0.38SS..Hα-helixtrans-61.7-44.9176.6177.8-101.4000112.2F4 L10 F11 F12 S17 T18 F57F4-F14 HydrophobicContact CE1-CB 4.41Å; F4-F14 HydrophobicContact CZ-CB 4.06Å; F4-F14 HydrophobicContact CZ-CD1 4.35Å; F4-F14 HydrophobicContact CZ-CG 4.22Å; L10-F14 WeakPolarHBondContact O-CB 3.47Å; L10-F14 PolarHBondContact O-N 3.41Å; F11-F14 PolarHBondContact O-N 3.46Å; F12-F14 VanDerWaalsContact C-N 3.31Å; F12-F14 PolarHBondContact O-N 2.82Å; F14-S17 PolarHBondContact O-N 3.1Å; F14-T18 WeakPolarHBondContact O-CB 2.8Å; F14-T18 PolarHBondContact O-N 3.35Å; F14-T18 PolarHBondContact O-OG1 3.4Å; F14-F57 HydrophobicContact CB-CE2 4.2Å; F14-F57 HydrophobicContact CB-CZ 4.34Å; F14-F57 HydrophobicContact CD2-CD1 4.49Å; F14-F57 HydrophobicContact CD2-CE1 4.17Å; F14-F57 HydrophobicContact CD2-CZ 4.42Å
15I87.4Confident84.1Confident60 Ų6069.3 Ų69.331%0.30839%0.386SS..Hα-helixtrans-63.1-51.4177-69.5170.7000110.9F11 F12 S17 T18 L19F11-I15 HydrophobicContact CD1-CD1 3.74Å; F11-I15 HydrophobicContact CD2-CD1 4.29Å; F11-I15 HydrophobicContact CE1-CD1 3.29Å; F11-I15 HydrophobicContact CE1-CG1 4.5Å; F11-I15 HydrophobicContact CE2-CD1 3.91Å; F11-I15 HydrophobicContact CE2-CG1 4.44Å; F11-I15 HydrophobicContact CG-CD1 4.25Å; F11-I15 HydrophobicContact CZ-CD1 3.41Å; F11-I15 VanDerWaalsContact CZ-CD1 3.41Å; F11-I15 HydrophobicContact CZ-CG1 4.38Å; F11-I15 WeakPolarHBondContact O-CG1 3.35Å; F11-I15 PolarHBondContact O-N 2.94Å; F12-I15 PolarHBondContact O-N 2.8Å; I15-S17 PolarHBondContact O-N 3.32Å; I15-T18 PolarHBondContact O-N 3.49Å; I15-T18 VanDerWaalsContact O-N 3.16Å; I15-L19 HydrophobicContact CG2-CD1 3.74Å; I15-L19 HydrophobicContact CG2-CG 4.15Å; I15-L19 WeakPolarHBondContact O-CB 3.19Å; I15-L19 VanDerWaalsContact O-CG 3.3Å; I15-L19 WeakPolarHBondContact O-CG 3.49Å; I15-L19 PolarHBondContact O-N 2.88Å
16I87.8Confident85.3Confident102 Ų10265.9 Ų65.952%0.52338%0.378SS..Hα-helixtrans-59.2-39.2179.9-67.9165.7000110.3F12 L13 L19 S20F12-I16 WeakPolarHBondContact O-CB 3.4Å; F12-I16 VanDerWaalsContact O-CG1 3.25Å; F12-I16 WeakPolarHBondContact O-CG1 3.44Å; F12-I16 PolarHBondContact O-N 2.87Å; L13-I16 PolarHBondContact O-N 3.18Å; I16-L19 PolarHBondContact O-N 3.46Å; I16-S20 WeakPolarHBondContact O-CB 3.27Å; I16-S20 PolarHBondContact O-N 2.8Å; I16-S20 PolarHBondContact O-OG 3.28Å
17S88.3Confident86.5Confident0 Ų064.7 Ų64.70%036%0.355CS..Hα-helixtrans-67.1-43178-163.30000112L13 F14 I15 S20 L21 G50 T53 T54L13-S17 WeakPolarHBondContact O-CB 3.18Å; L13-S17 PolarHBondContact O-N 3.48Å; F14-S17 PolarHBondContact O-N 3.1Å; I15-S17 PolarHBondContact O-N 3.32Å; S17-S20 WeakPolarHBondContact CA-OG 3.45Å; S17-S20 PolarHBondContact O-N 2.98Å; S17-S20 PolarHBondContact O-OG 3.46Å; S17-L21 WeakPolarHBondContact O-CB 3.3Å; S17-L21 VanDerWaalsContact O-CG 3.3Å; S17-L21 WeakPolarHBondContact O-CG 3.25Å; S17-L21 PolarHBondContact O-N 2.86Å; S17-G50 PolarHBondContact OG-O 2.89Å; S17-T53 PolarHBondContact OG-OG1 3.05Å; S17-T54 WeakPolarHBondContact OG-CG2 3.17Å; S17-T54 PolarHBondContact OG-N 3.49Å; S17-T54 VanDerWaalsContact OG-N 3.16Å
18T87.9Confident87.6Confident65 Ų6565.7 Ų65.740%0.39936%0.355SS..Hα-helixtrans-64.6-42.1175-50.30000111.4F14 I15 L21 L22F14-T18 WeakPolarHBondContact O-CB 2.8Å; F14-T18 PolarHBondContact O-N 3.35Å; F14-T18 PolarHBondContact O-OG1 3.4Å; I15-T18 PolarHBondContact O-N 3.49Å; I15-T18 VanDerWaalsContact O-N 3.16Å; T18-L21 PolarHBondContact O-N 2.87Å; T18-L22 VanDerWaalsContact O-CB 3.32Å; T18-L22 WeakPolarHBondContact O-CB 3.35Å; T18-L22 PolarHBondContact O-N 3.33Å
19L91.2Very high88.1Confident87 Ų8762.8 Ų62.846%0.45534%0.341SS..Hα-helixtrans-66.1-42177.5-70.5176.8000111.9I15 I16 L22 I23I15-L19 HydrophobicContact CG2-CD1 3.74Å; I15-L19 HydrophobicContact CG2-CG 4.15Å; I15-L19 WeakPolarHBondContact O-CB 3.19Å; I15-L19 VanDerWaalsContact O-CG 3.3Å; I15-L19 WeakPolarHBondContact O-CG 3.49Å; I15-L19 PolarHBondContact O-N 2.88Å; I16-L19 PolarHBondContact O-N 3.46Å; L19-L22 PolarHBondContact O-N 2.78Å; L19-I23 HydrophobicContact CB-CD1 4.4Å; L19-I23 VanDerWaalsContact O-CB 3.28Å; L19-I23 WeakPolarHBondContact O-CB 3.13Å; L19-I23 WeakPolarHBondContact O-CD1 3.26Å; L19-I23 WeakPolarHBondContact O-CG1 3.45Å; L19-I23 PolarHBondContact O-N 3.39Å
20S91.1Very high88.8Confident17 Ų1762 Ų6212%0.11933%0.332CS..Hα-helixtrans-67.1-39.7176.250.50000112.1I16 S17 G24 I46 G50I16-S20 WeakPolarHBondContact O-CB 3.27Å; I16-S20 PolarHBondContact O-N 2.8Å; I16-S20 PolarHBondContact O-OG 3.28Å; S17-S20 WeakPolarHBondContact CA-OG 3.45Å; S17-S20 PolarHBondContact O-N 2.98Å; S17-S20 PolarHBondContact O-OG 3.46Å; S20-G24 VanDerWaalsContact O-CA 3.32Å; S20-G24 WeakPolarHBondContact O-CA 3.46Å; S20-G24 PolarHBondContact O-N 2.86Å; S20-I46 WeakPolarHBondContact O-CG2 3.39Å; S20-G50 VanDerWaalsContact OG-CA 3.23Å; S20-G50 WeakPolarHBondContact OG-CA 3.3Å
21L91.6Very high89.2Confident45 Ų4561.1 Ų61.124%0.23633%0.328CS..Hα-helixtrans-61.5-44.3172.3-76166.1000111.9S17 T18 G25 F47 T54S17-L21 WeakPolarHBondContact O-CB 3.3Å; S17-L21 VanDerWaalsContact O-CG 3.3Å; S17-L21 WeakPolarHBondContact O-CG 3.25Å; S17-L21 PolarHBondContact O-N 2.86Å; T18-L21 PolarHBondContact O-N 2.87Å; L21-G25 WeakPolarHBondContact O-CA 3.46Å; L21-G25 PolarHBondContact O-N 2.9Å; L21-F47 HydrophobicContact CD2-CD2 3.73Å; L21-F47 HydrophobicContact CD2-CE2 3.5Å; L21-F47 HydrophobicContact CD2-CZ 4.15Å; L21-T54 HydrophobicContact CD1-CG2 3.61Å
22L92.8Very high89.7Confident106 Ų10663.1 Ų63.156%0.55534%0.338SS*.Hα-helixtrans-67.6-52.9-179.6-173.167.1000111.4T18 L19 G25 C26T18-L22 VanDerWaalsContact O-CB 3.32Å; T18-L22 WeakPolarHBondContact O-CB 3.35Å; T18-L22 PolarHBondContact O-N 3.33Å; L19-L22 PolarHBondContact O-N 2.78Å; L22-G25 PolarHBondContact O-N 3.41Å; L22-C26 VanDerWaalsContact O-CB 3.29Å; L22-C26 WeakPolarHBondContact O-CB 3.41Å; L22-C26 PolarHBondContact O-N 3.16Å; L22-C26 PolarHBondContact O-SG 2.84Å
23I93.1Very high89.9Confident95 Ų9564.2 Ų64.249%0.48735%0.35SS..Hα-helixtrans-64.8-45.8-179.7-63.8163.4000110.3L19 L27L19-I23 HydrophobicContact CB-CD1 4.4Å; L19-I23 VanDerWaalsContact O-CB 3.28Å; L19-I23 WeakPolarHBondContact O-CB 3.13Å; L19-I23 WeakPolarHBondContact O-CD1 3.26Å; L19-I23 WeakPolarHBondContact O-CG1 3.45Å; L19-I23 PolarHBondContact O-N 3.39Å; I23-L27 WeakPolarHBondContact O-CB 3.18Å; I23-L27 PolarHBondContact O-N 2.82Å
24G91.4Very high90.3Very high0 Ų065.8 Ų65.80%036%0.355CS..Hα-helixtrans-63.3-44.1178.800000112.1S20 W28 G43S20-G24 VanDerWaalsContact O-CA 3.32Å; S20-G24 WeakPolarHBondContact O-CA 3.46Å; S20-G24 PolarHBondContact O-N 2.86Å; G24-W28 WeakPolarHBondContact O-CB 3.4Å; G24-W28 PolarHBondContact O-N 2.86Å; G24-G43 WeakPolarHBondContact CA-O 3.14Å; G24-G43 CarbonylContact O-C 3.59Å; G24-G43 VanDerWaalsContact O-CA 3.26Å; G24-G43 WeakPolarHBondContact O-CA 3.29Å
25G91.4Very high90.4Very high28 Ų2864.5 Ų64.529%0.28937%0.365SS..Hα-helixtrans-65.8-45.7176.500000112.9L21 L22 W28 G29L21-G25 WeakPolarHBondContact O-CA 3.46Å; L21-G25 PolarHBondContact O-N 2.9Å; L22-G25 PolarHBondContact O-N 3.41Å; G25-W28 PolarHBondContact O-N 3.43Å; G25-G29 PolarHBondContact O-N 3.48Å
26C92.2Very high90.5Very high83 Ų8362.8 Ų62.856%0.56136%0.36SS*.Hα-helixtrans-64.5-41.8176.4-69.20000112.2L22 S30L22-C26 VanDerWaalsContact O-CB 3.29Å; L22-C26 WeakPolarHBondContact O-CB 3.41Å; L22-C26 PolarHBondContact O-N 3.16Å; L22-C26 PolarHBondContact O-SG 2.84Å; C26-S30 VanDerWaalsContact O-CB 3.3Å; C26-S30 WeakPolarHBondContact O-CB 3.46Å; C26-S30 PolarHBondContact O-N 2.96Å
27L92.2Very high90.7Very high48 Ų4862.5 Ų62.525%0.25136%0.363SS..Hα-helixtrans-69.6-36179-175.363.6000111.8I23 G31 K39 I42 I46I23-L27 WeakPolarHBondContact O-CB 3.18Å; I23-L27 PolarHBondContact O-N 2.82Å; L27-G31 PolarHBondContact O-N 3.16Å; L27-K39 HydrophobicContact CD1-CB 4.08Å; L27-K39 HydrophobicContact CD1-CG 4.24Å; L27-I42 HydrophobicContact CD2-CB 3.99Å; L27-I42 HydrophobicContact CD2-CG2 3.58Å; L27-I46 HydrophobicContact CD2-CD1 4.39Å
28W91.6Very high90.9Very high92 Ų9267.4 Ų67.435%0.34839%0.393SS..Hα-helixtrans-62.2-54.7172.6-178.87000110.3G24 G25 S30 G31 E32 I44 F47G24-W28 WeakPolarHBondContact O-CB 3.4Å; G24-W28 PolarHBondContact O-N 2.86Å; G25-W28 PolarHBondContact O-N 3.43Å; W28-S30 PolarHBondContact O-N 3.28Å; W28-G31 WeakPolarHBondContact O-CA 3.46Å; W28-G31 PolarHBondContact O-N 2.89Å; W28-E32 PolarHBondContact O-N 2.98Å; W28-I44 HydrophobicContact CD2-CG1 3.68Å; W28-I44 HydrophobicContact CE3-CG1 4.24Å; W28-I44 HydrophobicContact CG-CG1 3.84Å; W28-I44 HydrophobicContact CZ2-CG1 4.28Å; W28-F47 HydrophobicContact CE3-CD1 4.44Å; W28-F47 HydrophobicContact CZ3-CD1 4.22Å; W28-F47 HydrophobicContact CZ3-CE1 4.33Å
29G90.9Very high90.9Very high27 Ų2767.8 Ų67.828%0.27839%0.389SS..Hα-helixtrans-59.1-45.3179.500000113.1G25 G31 E32 D33G25-G29 PolarHBondContact O-N 3.48Å; G29-G31 VanDerWaalsContact C-N 3.27Å; G29-G31 PolarHBondContact O-N 3.25Å; G29-E32 WeakPolarHBondContact O-CB 3.28Å; G29-E32 PolarHBondContact O-N 3.13Å; G29-E32 VanDerWaalsContact O-N 3.09Å; G29-D33 PolarHBondContact O-N 3.41Å
30S91.6Very high90.9Very high43 Ų4366.5 Ų66.530%0.30138%0.382SS..Hα-helixtrans-62.2-34.1175.21710000112.8C26 W28 E34C26-S30 VanDerWaalsContact O-CB 3.3Å; C26-S30 WeakPolarHBondContact O-CB 3.46Å; C26-S30 PolarHBondContact O-N 2.96Å; W28-S30 PolarHBondContact O-N 3.28Å; S30-E34 WeakPolarHBondContact O-CB 3.34Å; S30-E34 WeakPolarHBondContact O-CG 3.41Å; S30-E34 PolarHBondContact O-N 3.38Å; S30-E34 VanDerWaalsContact O-N 3.15Å
31G88.9Confident91Very high1 Ų169 Ų691%0.0140%0.396CS..Hα-helixtrans-69.4-32174.500000113.4L27 W28 G29 G35 A36L27-G31 PolarHBondContact O-N 3.16Å; W28-G31 WeakPolarHBondContact O-CA 3.46Å; W28-G31 PolarHBondContact O-N 2.89Å; G29-G31 VanDerWaalsContact C-N 3.27Å; G29-G31 PolarHBondContact O-N 3.25Å; G31-G35 CarbonylContact O-C 3.59Å; G31-G35 PolarHBondContact O-N 2.93Å; G31-A36 PolarHBondContact O-N 3.48Å
32E90.3Very high91.1Very high131 Ų13171.2 Ų71.261%0.61241%0.407SS*.Hα-helixtrans-71-46.5174.6-172.2172.5173.900111.2W28 G29 E34 G35W28-E32 PolarHBondContact O-N 2.98Å; G29-E32 WeakPolarHBondContact O-CB 3.28Å; G29-E32 PolarHBondContact O-N 3.13Å; G29-E32 VanDerWaalsContact O-N 3.09Å; E32-E34 VanDerWaalsContact C-N 3.35Å; E32-E34 PolarHBondContact O-N 3.03Å; E32-G35 PolarHBondContact O-N 2.91Å
33D89.4Confident91.1Very high146 Ų14666.1 Ų66.178%0.78138%0.381SS*.Hα-helixtrans-62.9-38.6179.5-68.4-30.5000112.7G29G29-D33 PolarHBondContact O-N 3.41Å
34E89.9Confident91Very high120 Ų12064.5 Ų64.556%0.56137%0.372SS*.THydrogen-bonded Turntrans-86.5-7178.6-67.2-180-159.800113.6S30 E32 A36 K39S30-E34 WeakPolarHBondContact O-CB 3.34Å; S30-E34 WeakPolarHBondContact O-CG 3.41Å; S30-E34 PolarHBondContact O-N 3.38Å; S30-E34 VanDerWaalsContact O-N 3.15Å; E32-E34 VanDerWaalsContact C-N 3.35Å; E32-E34 PolarHBondContact O-N 3.03Å; E34-A36 HydrophobicContact CB-CB 4.19Å; E34-A36 PolarHBondContact O-N 3.03Å; E34-K39 IonicContact OE1-NZ 2.64Å; E34-K39 PolarHBondContact OE1-NZ 2.91Å; E34-K39 IonicContact OE2-NZ 3.03Å; E34-K39 PolarHBondContact OE2-NZ 3.34Å
35G87.4Confident91.2Very high58 Ų5868.4 Ų68.460%0.59840%0.396SS*.THydrogen-bonded Turntrans64.516.3-170.200000113.9G31 E32 V37G31-G35 CarbonylContact O-C 3.59Å; G31-G35 PolarHBondContact O-N 2.93Å; E32-G35 PolarHBondContact O-N 2.91Å; G35-V37 PolarHBondContact O-N 3.07Å; G35-V37 VanDerWaalsContact O-N 3.17Å
36A90.8Very high91.3Very high24 Ų2469.6 Ų69.620%0.19840%0.396CS..  trans-83.190.2-178.600000110.9G31 E34 T38 K39 M40G31-A36 PolarHBondContact O-N 3.48Å; E34-A36 HydrophobicContact CB-CB 4.19Å; E34-A36 PolarHBondContact O-N 3.03Å; A36-T38 PolarHBondContact O-N 3.35Å; A36-K39 HydrophobicContact CB-CB 4.11Å; A36-K39 HydrophobicContact CB-CD 3.97Å; A36-K39 HydrophobicContact CB-CG 4.06Å; A36-K39 PolarHBondContact O-N 3.08Å; A36-M40 PolarHBondContact O-N 3.43Å
37V91Very high91.3Very high96 Ų9668.7 Ų68.758%0.58238%0.382SS*.Hα-helixtrans-52.1-34.4-178.7-172.80000113G35 M40 T41G35-V37 PolarHBondContact O-N 3.07Å; G35-V37 VanDerWaalsContact O-N 3.17Å; V37-M40 HydrophobicContact CG1-CE 4.31Å; V37-T41 WeakPolarHBondContact O-CB 3.42Å; V37-T41 PolarHBondContact O-N 3.48Å; V37-T41 PolarHBondContact O-OG1 3.49Å
38T91.7Very high91.3Very high104 Ų10470 Ų7064%0.63839%0.392SS*.Hα-helixtrans-66.7-48.5177.950.40000112A36 M40 T41 I42A36-T38 PolarHBondContact O-N 3.35Å; T38-M40 VanDerWaalsContact C-N 3.33Å; T38-M40 PolarHBondContact O-N 2.87Å; T38-T41 PolarHBondContact O-N 3.46Å; T38-I42 WeakPolarHBondContact O-CD1 3.5Å; T38-I42 VanDerWaalsContact O-CG1 3.25Å; T38-I42 WeakPolarHBondContact O-CG1 3.48Å; T38-I42 PolarHBondContact O-N 3.01Å
39K89.7Confident91.3Very high72 Ų7269.5 Ų69.531%0.31340%0.399SS..Hα-helixtrans-60.1-45.8175-69.7-176.6175.1179.40110.3L27 E34 A36 T41 I42 G43L27-K39 HydrophobicContact CD1-CB 4.08Å; L27-K39 HydrophobicContact CD1-CG 4.24Å; E34-K39 IonicContact OE1-NZ 2.64Å; E34-K39 PolarHBondContact OE1-NZ 2.91Å; E34-K39 IonicContact OE2-NZ 3.03Å; E34-K39 PolarHBondContact OE2-NZ 3.34Å; A36-K39 HydrophobicContact CB-CB 4.11Å; A36-K39 HydrophobicContact CB-CD 3.97Å; A36-K39 HydrophobicContact CB-CG 4.06Å; A36-K39 PolarHBondContact O-N 3.08Å; K39-T41 PolarHBondContact O-N 3.48Å; K39-I42 PolarHBondContact O-N 3Å; K39-G43 PolarHBondContact O-N 3.17Å
40M91Very high91.3Very high60 Ų6068.2 Ų68.230%0.29639%0.386SS..Hα-helixtrans-56.7-51177.9-172.4-177.373.800111.9A36 V37 T38 I42 G43 I44A36-M40 PolarHBondContact O-N 3.43Å; V37-M40 HydrophobicContact CG1-CE 4.31Å; T38-M40 VanDerWaalsContact C-N 3.33Å; T38-M40 PolarHBondContact O-N 2.87Å; M40-I42 PolarHBondContact O-N 3.27Å; M40-G43 PolarHBondContact O-N 3.43Å; M40-I44 HydrophobicContact CG-CD1 4.08Å; M40-I44 WeakPolarHBondContact O-CG1 3.46Å; M40-I44 PolarHBondContact O-N 3.32Å
41T92.4Very high91.2Very high70 Ų7068.4 Ų68.443%0.42939%0.386SS..Hα-helixtrans-64-44.6-178-53.90000111.8V37 T38 K39 G43 I44 V45V37-T41 WeakPolarHBondContact O-CB 3.42Å; V37-T41 PolarHBondContact O-N 3.48Å; V37-T41 PolarHBondContact O-OG1 3.49Å; T38-T41 PolarHBondContact O-N 3.46Å; K39-T41 PolarHBondContact O-N 3.48Å; T41-G43 VanDerWaalsContact C-N 3.3Å; T41-G43 PolarHBondContact O-N 3.29Å; T41-I44 PolarHBondContact O-N 2.85Å; T41-V45 WeakPolarHBondContact O-CG2 3.21Å; T41-V45 PolarHBondContact O-N 3.42Å
42I93.4Very high91.3Very high91 Ų9171.3 Ų71.347%0.46741%0.411SS..Hα-helixtrans-62.5-41.6177.4-64.5166.2000110.1L27 T38 K39 M40 V45 I46L27-I42 HydrophobicContact CD2-CB 3.99Å; L27-I42 HydrophobicContact CD2-CG2 3.58Å; T38-I42 WeakPolarHBondContact O-CD1 3.5Å; T38-I42 VanDerWaalsContact O-CG1 3.25Å; T38-I42 WeakPolarHBondContact O-CG1 3.48Å; T38-I42 PolarHBondContact O-N 3.01Å; K39-I42 PolarHBondContact O-N 3Å; M40-I42 PolarHBondContact O-N 3.27Å; I42-V45 PolarHBondContact O-N 3.42Å; I42-I46 HydrophobicContact CG2-CD1 3.73Å; I42-I46 HydrophobicContact CG2-CG1 4.34Å; I42-I46 VanDerWaalsContact O-CG1 3.32Å; I42-I46 WeakPolarHBondContact O-CG1 3.47Å; I42-I46 PolarHBondContact O-N 2.89Å
43G92.1Very high91.2Very high0 Ų067.4 Ų67.40%040%0.396CS..Hα-helixtrans-56.9-49.417500000112.6G24 K39 M40 T41 V45 I46 F47G24-G43 WeakPolarHBondContact CA-O 3.14Å; G24-G43 CarbonylContact O-C 3.59Å; G24-G43 VanDerWaalsContact O-CA 3.26Å; G24-G43 WeakPolarHBondContact O-CA 3.29Å; K39-G43 PolarHBondContact O-N 3.17Å; M40-G43 PolarHBondContact O-N 3.43Å; T41-G43 VanDerWaalsContact C-N 3.3Å; T41-G43 PolarHBondContact O-N 3.29Å; G43-V45 PolarHBondContact O-N 2.83Å; G43-I46 PolarHBondContact O-N 2.88Å; G43-F47 WeakPolarHBondContact O-CB 3.24Å; G43-F47 PolarHBondContact O-N 3.41Å
44I92.9Very high91.1Very high60 Ų6061.8 Ų61.831%0.30837%0.367SS..Hα-helixtrans-60.5-43.3177.6-66162.4000111.5W28 M40 T41 F47 T48W28-I44 HydrophobicContact CD2-CG1 3.68Å; W28-I44 HydrophobicContact CE3-CG1 4.24Å; W28-I44 HydrophobicContact CG-CG1 3.84Å; W28-I44 HydrophobicContact CZ2-CG1 4.28Å; M40-I44 HydrophobicContact CG-CD1 4.08Å; M40-I44 WeakPolarHBondContact O-CG1 3.46Å; M40-I44 PolarHBondContact O-N 3.32Å; T41-I44 PolarHBondContact O-N 2.85Å; I44-F47 PolarHBondContact O-N 2.94Å; I44-T48 HydrophobicContact CG2-CG2 4.29Å; I44-T48 WeakPolarHBondContact O-CB 3.38Å; I44-T48 VanDerWaalsContact O-CG2 3.29Å; I44-T48 WeakPolarHBondContact O-CG2 3.48Å; I44-T48 PolarHBondContact O-N 3.22Å; I44-T48 PolarHBondContact O-OG1 3.18Å
45V94Very high91Very high82 Ų8260.4 Ų60.450%0.49737%0.366SS..Hα-helixtrans-63.5-47.9178.7172.90000111T41 I42 G43 F47 T48 V49T41-V45 WeakPolarHBondContact O-CG2 3.21Å; T41-V45 PolarHBondContact O-N 3.42Å; I42-V45 PolarHBondContact O-N 3.42Å; G43-V45 PolarHBondContact O-N 2.83Å; V45-F47 VanDerWaalsContact C-N 3.3Å; V45-F47 PolarHBondContact O-N 2.82Å; V45-T48 WeakPolarHBondContact CA-OG1 3.44Å; V45-T48 PolarHBondContact O-N 2.73Å; V45-T48 PolarHBondContact O-OG1 3.49Å; V45-V49 VanDerWaalsContact O-CG2 3.31Å; V45-V49 WeakPolarHBondContact O-CG2 3.42Å; V45-V49 PolarHBondContact O-N 3.48Å; V45-V49 VanDerWaalsContact O-N 3.08Å
46I93.2Very high91Very high54 Ų5460.2 Ų60.228%0.27736%0.359SS..Hα-helixtrans-63.7-40.4178.3-64.6171.9000110.4S20 L27 I42 G43 V49 G50S20-I46 WeakPolarHBondContact O-CG2 3.39Å; L27-I46 HydrophobicContact CD2-CD1 4.39Å; I42-I46 HydrophobicContact CG2-CD1 3.73Å; I42-I46 HydrophobicContact CG2-CG1 4.34Å; I42-I46 VanDerWaalsContact O-CG1 3.32Å; I42-I46 WeakPolarHBondContact O-CG1 3.47Å; I42-I46 PolarHBondContact O-N 2.89Å; G43-I46 PolarHBondContact O-N 2.88Å; I46-V49 PolarHBondContact O-N 2.97Å; I46-G50 PolarHBondContact O-N 2.97Å
47F92.2Very high90.7Very high64 Ų6459.9 Ų59.928%0.28135%0.353SS..Hα-helixtrans-63.9-45.6178.6-177.5-100.7000112.3L21 W28 G43 I44 V45 V49 G50 C51L21-F47 HydrophobicContact CD2-CD2 3.73Å; L21-F47 HydrophobicContact CD2-CE2 3.5Å; L21-F47 HydrophobicContact CD2-CZ 4.15Å; W28-F47 HydrophobicContact CE3-CD1 4.44Å; W28-F47 HydrophobicContact CZ3-CD1 4.22Å; W28-F47 HydrophobicContact CZ3-CE1 4.33Å; G43-F47 WeakPolarHBondContact O-CB 3.24Å; G43-F47 PolarHBondContact O-N 3.41Å; I44-F47 PolarHBondContact O-N 2.94Å; V45-F47 VanDerWaalsContact C-N 3.3Å; V45-F47 PolarHBondContact O-N 2.82Å; F47-V49 VanDerWaalsContact C-N 3.33Å; F47-V49 PolarHBondContact O-N 3.31Å; F47-G50 CarbonylContact O-C 3.48Å; F47-G50 WeakPolarHBondContact O-CA 3.27Å; F47-G50 PolarHBondContact O-N 3.04Å; F47-G50 VanDerWaalsContact O-N 3.14Å; F47-C51 PolarHBondContact O-N 3.4Å
48T92.4Very high90.4Very high76 Ų7661.3 Ų61.347%0.46635%0.352SS..Hα-helixtrans-64.3-37.6177.751.10000112.1I44 V45 C51 A52I44-T48 HydrophobicContact CG2-CG2 4.29Å; I44-T48 WeakPolarHBondContact O-CB 3.38Å; I44-T48 VanDerWaalsContact O-CG2 3.29Å; I44-T48 WeakPolarHBondContact O-CG2 3.48Å; I44-T48 PolarHBondContact O-N 3.22Å; I44-T48 PolarHBondContact O-OG1 3.18Å; V45-T48 WeakPolarHBondContact CA-OG1 3.44Å; V45-T48 PolarHBondContact O-N 2.73Å; V45-T48 PolarHBondContact O-OG1 3.49Å; T48-C51 PolarHBondContact O-N 3.48Å; T48-A52 WeakPolarHBondContact O-CB 3.42Å; T48-A52 PolarHBondContact O-N 2.95Å
49V91.5Very high90.2Very high81 Ų8159.8 Ų59.849%0.49134%0.342SS..Hα-helixtrans-64.2-41.8171.6173.30000111.2V45 I46 F47 A52 T53V45-V49 VanDerWaalsContact O-CG2 3.31Å; V45-V49 WeakPolarHBondContact O-CG2 3.42Å; V45-V49 PolarHBondContact O-N 3.48Å; V45-V49 VanDerWaalsContact O-N 3.08Å; I46-V49 PolarHBondContact O-N 2.97Å; F47-V49 VanDerWaalsContact C-N 3.33Å; F47-V49 PolarHBondContact O-N 3.31Å; V49-A52 PolarHBondContact O-N 2.86Å; V49-T53 HydrophobicContact CG1-CG2 4.47Å; V49-T53 WeakPolarHBondContact O-CB 3.21Å; V49-T53 VanDerWaalsContact O-CG2 3.31Å; V49-T53 WeakPolarHBondContact O-CG2 3.19Å; V49-T53 PolarHBondContact O-N 2.58Å; V49-T53 PolarHBondContact O-OG1 3.38Å
50G91Very high89.9Confident0 Ų059.7 Ų59.70%035%0.347CS..Hα-helixtrans-59.2-44.8172.700000112.8S17 S20 I46 F47 T53 T54S17-G50 PolarHBondContact OG-O 2.89Å; S20-G50 VanDerWaalsContact OG-CA 3.23Å; S20-G50 WeakPolarHBondContact OG-CA 3.3Å; I46-G50 PolarHBondContact O-N 2.97Å; F47-G50 CarbonylContact O-C 3.48Å; F47-G50 WeakPolarHBondContact O-CA 3.27Å; F47-G50 PolarHBondContact O-N 3.04Å; F47-G50 VanDerWaalsContact O-N 3.14Å; G50-T53 WeakPolarHBondContact CA-OG1 3.29Å; G50-T53 PolarHBondContact O-N 2.65Å; G50-T53 PolarHBondContact O-OG1 2.94Å; G50-T54 PolarHBondContact O-N 3.04Å; G50-T54 PolarHBondContact O-OG1 3.07Å
51C90.4Very high89.5Confident46 Ų4659.6 Ų59.631%0.31134%0.344SS..Hα-helixtrans-62.9-45.8174.7-770000112.5F47 T48 T53 T54 V55F47-C51 PolarHBondContact O-N 3.4Å; T48-C51 PolarHBondContact O-N 3.48Å; C51-T53 VanDerWaalsContact C-N 3.32Å; C51-T53 PolarHBondContact O-N 2.8Å; C51-T54 WeakPolarHBondContact CA-OG1 3.16Å; C51-T54 PolarHBondContact O-N 3.46Å; C51-T54 PolarHBondContact O-OG1 2.81Å; C51-V55 WeakPolarHBondContact O-CG2 3.34Å; C51-V55 PolarHBondContact O-N 3Å; C51-V55 VanDerWaalsContact O-N 3.07Å
52A90.8Very high89.1Confident63 Ų6359.4 Ų59.452%0.52134%0.343SS..Hα-helixtrans-62.7-41.5179.100000111.7T48 V49 A56T48-A52 WeakPolarHBondContact O-CB 3.42Å; T48-A52 PolarHBondContact O-N 2.95Å; V49-A52 PolarHBondContact O-N 2.86Å; A52-A56 WeakPolarHBondContact O-CB 3.36Å; A52-A56 PolarHBondContact O-N 2.99Å
53T88Confident88.5Confident48 Ų4859.8 Ų59.829%0.29435%0.346SS..Hα-helixtrans-69.9-37.9179.352.80000112.9S17 V49 G50 C51 A56 F57S17-T53 PolarHBondContact OG-OG1 3.05Å; V49-T53 HydrophobicContact CG1-CG2 4.47Å; V49-T53 WeakPolarHBondContact O-CB 3.21Å; V49-T53 VanDerWaalsContact O-CG2 3.31Å; V49-T53 WeakPolarHBondContact O-CG2 3.19Å; V49-T53 PolarHBondContact O-N 2.58Å; V49-T53 PolarHBondContact O-OG1 3.38Å; G50-T53 WeakPolarHBondContact CA-OG1 3.29Å; G50-T53 PolarHBondContact O-N 2.65Å; G50-T53 PolarHBondContact O-OG1 2.94Å; C51-T53 VanDerWaalsContact C-N 3.32Å; C51-T53 PolarHBondContact O-N 2.8Å; T53-A56 PolarHBondContact O-N 2.93Å; T53-F57 WeakPolarHBondContact O-CB 3.34Å; T53-F57 PolarHBondContact O-N 3.35Å
54T87.4Confident87.9Confident28 Ų2864.1 Ų64.117%0.17237%0.365CS..Hα-helixtrans-63.9-44.7173.740.90000111.8S17 L21 G50 C51 A56 F57 F58S17-T54 WeakPolarHBondContact OG-CG2 3.17Å; S17-T54 PolarHBondContact OG-N 3.49Å; S17-T54 VanDerWaalsContact OG-N 3.16Å; L21-T54 HydrophobicContact CD1-CG2 3.61Å; G50-T54 PolarHBondContact O-N 3.04Å; G50-T54 PolarHBondContact O-OG1 3.07Å; C51-T54 WeakPolarHBondContact CA-OG1 3.16Å; C51-T54 PolarHBondContact O-N 3.46Å; C51-T54 PolarHBondContact O-OG1 2.81Å; T54-A56 PolarHBondContact O-N 2.87Å; T54-F57 VanDerWaalsContact O-CB 3.32Å; T54-F57 WeakPolarHBondContact O-CB 3.26Å; T54-F57 PolarHBondContact O-N 3.19Å; T54-F58 VanDerWaalsContact O-CD2 3.26Å; T54-F58 WeakPolarHBondContact O-CD2 3.32Å; T54-F58 PolarHBondContact O-N 3.34Å
55V87.9Confident87.3Confident92 Ų9264.9 Ų64.956%0.55837%0.367SS*.Hα-helixtrans-61.9-46.2177.9173.50000110.4C51 F57 F58 V59C51-V55 WeakPolarHBondContact O-CG2 3.34Å; C51-V55 PolarHBondContact O-N 3Å; C51-V55 VanDerWaalsContact O-N 3.07Å; V55-F57 VanDerWaalsContact C-N 3.27Å; V55-F57 PolarHBondContact O-N 2.92Å; V55-F58 PolarHBondContact O-N 3.18Å; V55-V59 HydrophobicContact CG1-CG2 4.42Å; V55-V59 WeakPolarHBondContact O-CG2 2.92Å; V55-V59 PolarHBondContact O-N 2.78Å
56A86.2Confident86.7Confident53 Ų5364.8 Ų64.844%0.43836%0.363SS..Hα-helixtrans-59.3-38.4175.500000112.2A52 T53 T54 V59 T60A52-A56 WeakPolarHBondContact O-CB 3.36Å; A52-A56 PolarHBondContact O-N 2.99Å; T53-A56 PolarHBondContact O-N 2.93Å; T54-A56 PolarHBondContact O-N 2.87Å; A56-V59 PolarHBondContact O-N 3.08Å; A56-T60 WeakPolarHBondContact O-CB 3.31Å; A56-T60 VanDerWaalsContact O-CG2 3.31Å; A56-T60 WeakPolarHBondContact O-CG2 3.31Å; A56-T60 PolarHBondContact O-N 2.96Å; A56-T60 PolarHBondContact O-OG1 2.99Å
57F84.8Confident86Confident18 Ų1870.4 Ų70.48%0.07938%0.38CS..Hα-helixtrans-61.1-49.8173.4174.1-94.6000112.1F4 L10 F14 T53 T54 V55 V59 T60 Y61F4-F57 AromaticContact CE1-CE2 3.77Å; F4-F57 HydrophobicContact CE1-CE2 3.77Å; F4-F57 AromaticContact CE1-CZ 3.71Å; F4-F57 HydrophobicContact CE1-CZ 3.71Å; F4-F57 HydrophobicContact CZ-CE2 4.48Å; F4-F57 HydrophobicContact CZ-CZ 4.1Å; L10-F57 HydrophobicContact CB-CE2 3.87Å; L10-F57 HydrophobicContact CD2-CD2 3.6Å; L10-F57 HydrophobicContact CD2-CE2 3.59Å; L10-F57 HydrophobicContact CG-CE2 4.26Å; L10-F57 VanDerWaalsContact O-CE2 3.31Å; L10-F57 WeakPolarHBondContact O-CE2 3.37Å; F14-F57 HydrophobicContact CB-CE2 4.2Å; F14-F57 HydrophobicContact CB-CZ 4.34Å; F14-F57 HydrophobicContact CD2-CD1 4.49Å; F14-F57 HydrophobicContact CD2-CE1 4.17Å; F14-F57 HydrophobicContact CD2-CZ 4.42Å; T53-F57 WeakPolarHBondContact O-CB 3.34Å; T53-F57 PolarHBondContact O-N 3.35Å; T54-F57 VanDerWaalsContact O-CB 3.32Å; T54-F57 WeakPolarHBondContact O-CB 3.26Å; T54-F57 PolarHBondContact O-N 3.19Å; V55-F57 VanDerWaalsContact C-N 3.27Å; V55-F57 PolarHBondContact O-N 2.92Å; F57-V59 VanDerWaalsContact C-N 3.33Å; F57-V59 PolarHBondContact O-N 3.25Å; F57-T60 PolarHBondContact O-N 3.16Å; F57-T60 PolarHBondContact O-OG1 3.32Å; F57-Y61 WeakPolarHBondContact O-CB 3.14Å; F57-Y61 PolarHBondContact O-N 2.92Å
58F86Confident85.2Confident125 Ų12572.6 Ų72.655%0.54839%0.39SS..Hα-helixtrans-61.2-41.9178.3-84.2-70.3000112.1T54 V55 T62T54-F58 VanDerWaalsContact O-CD2 3.26Å; T54-F58 WeakPolarHBondContact O-CD2 3.32Å; T54-F58 PolarHBondContact O-N 3.34Å; V55-F58 PolarHBondContact O-N 3.18Å; F58-T62 VanDerWaalsContact O-CB 3.3Å; F58-T62 WeakPolarHBondContact O-CB 3.34Å; F58-T62 WeakPolarHBondContact O-CG2 3.33Å; F58-T62 PolarHBondContact O-N 2.88Å; F58-T62 PolarHBondContact O-OG1 2.97Å
59V86.8Confident84.4Confident72 Ų7274.1 Ų74.144%0.43639%0.39SS..Hα-helixtrans-63.3-49.9177.9172.50000110.9V55 A56 F57 Y61 T62 L63V55-V59 HydrophobicContact CG1-CG2 4.42Å; V55-V59 WeakPolarHBondContact O-CG2 2.92Å; V55-V59 PolarHBondContact O-N 2.78Å; A56-V59 PolarHBondContact O-N 3.08Å; F57-V59 VanDerWaalsContact C-N 3.33Å; F57-V59 PolarHBondContact O-N 3.25Å; V59-Y61 PolarHBondContact O-N 3.36Å; V59-T62 PolarHBondContact O-N 2.84Å; V59-T62 PolarHBondContact O-OG1 3.37Å; V59-T62 VanDerWaalsContact O-OG1 3.04Å; V59-L63 HydrophobicContact CG1-CD1 3.74Å; V59-L63 HydrophobicContact CG1-CG 4.35Å; V59-L63 VanDerWaalsContact O-CB 3.29Å; V59-L63 WeakPolarHBondContact O-CB 3.41Å; V59-L63 WeakPolarHBondContact O-CG 3.45Å; V59-L63 PolarHBondContact O-N 3.42Å
60T83.4Confident83.6Confident70 Ų7078.4 Ų78.443%0.42940%0.397SS..Hα-helixtrans-64.6-42.1-18052.60000111.9A56 F57 K64A56-T60 WeakPolarHBondContact O-CB 3.31Å; A56-T60 VanDerWaalsContact O-CG2 3.31Å; A56-T60 WeakPolarHBondContact O-CG2 3.31Å; A56-T60 PolarHBondContact O-N 2.96Å; A56-T60 PolarHBondContact O-OG1 2.99Å; F57-T60 PolarHBondContact O-N 3.16Å; F57-T60 PolarHBondContact O-OG1 3.32Å; T60-K64 WeakPolarHBondContact O-CB 3.46Å; T60-K64 PolarHBondContact O-N 2.92Å
61Y82.9Confident82.8Confident59 Ų5984.5 Ų84.523%0.23142%0.424CS..Hα-helixtrans-62.4-50.2176.8179.2-97000112.1L3 F57 V59 K64 Q65L3-Y61 HydrophobicContact CD2-CE2 4.19Å; L3-Y61 WeakPolarHBondContact CD2-OH 3.44Å; F57-Y61 WeakPolarHBondContact O-CB 3.14Å; F57-Y61 PolarHBondContact O-N 2.92Å; V59-Y61 PolarHBondContact O-N 3.36Å; Y61-K64 PolarHBondContact O-N 3.43Å; Y61-Q65 WeakPolarHBondContact O-CB 3.44Å; Y61-Q65 PolarHBondContact O-N 3.41Å
62T82.9Confident82Confident66 Ų6688 Ų8841%0.40543%0.431SS..Hα-helixtrans-64.5-48.1-179.152.70000111.6F58 V59 K64 Q65 I66F58-T62 VanDerWaalsContact O-CB 3.3Å; F58-T62 WeakPolarHBondContact O-CB 3.34Å; F58-T62 WeakPolarHBondContact O-CG2 3.33Å; F58-T62 PolarHBondContact O-N 2.88Å; F58-T62 PolarHBondContact O-OG1 2.97Å; V59-T62 PolarHBondContact O-N 2.84Å; V59-T62 PolarHBondContact O-OG1 3.37Å; V59-T62 VanDerWaalsContact O-OG1 3.04Å; T62-K64 VanDerWaalsContact C-N 3.27Å; T62-K64 PolarHBondContact O-N 2.94Å; T62-Q65 PolarHBondContact O-N 3.41Å; T62-I66 VanDerWaalsContact O-CG1 3.24Å; T62-I66 WeakPolarHBondContact O-CG1 3.3Å; T62-I66 PolarHBondContact O-N 3.44Å
63L82.3Confident81.1Confident99 Ų9992.4 Ų92.452%0.51844%0.438SS..Hα-helixtrans-57.3-42.4175.5-72.6175.2000111.3V59 I66 R67V59-L63 HydrophobicContact CG1-CD1 3.74Å; V59-L63 HydrophobicContact CG1-CG 4.35Å; V59-L63 VanDerWaalsContact O-CB 3.29Å; V59-L63 WeakPolarHBondContact O-CB 3.41Å; V59-L63 WeakPolarHBondContact O-CG 3.45Å; V59-L63 PolarHBondContact O-N 3.42Å; L63-I66 PolarHBondContact O-N 2.89Å; L63-R67 WeakPolarHBondContact O-CB 3.46Å; L63-R67 VanDerWaalsContact O-CG 3.27Å; L63-R67 WeakPolarHBondContact O-CG 3.44Å; L63-R67 PolarHBondContact O-N 2.93Å
64K78.9Confident80.4Confident91 Ų9196.5 Ų96.540%0.39645%0.452SS..Hα-helixtrans-69.6-40.6179.1-168.1176.6175.5-174.20112.3E7 T60 Y61 T62 I66 R67 K68E7-K64 IonicContact OE1-NZ 2.58Å; E7-K64 PolarHBondContact OE1-NZ 2.94Å; E7-K64 IonicContact OE2-NZ 2.65Å; E7-K64 PolarHBondContact OE2-NZ 3.29Å; T60-K64 WeakPolarHBondContact O-CB 3.46Å; T60-K64 PolarHBondContact O-N 2.92Å; Y61-K64 PolarHBondContact O-N 3.43Å; T62-K64 VanDerWaalsContact C-N 3.27Å; T62-K64 PolarHBondContact O-N 2.94Å; K64-I66 VanDerWaalsContact C-N 3.29Å; K64-I66 PolarHBondContact O-N 3.43Å; K64-R67 PolarHBondContact O-N 2.91Å; K64-K68 PolarHBondContact O-N 3.36Å
65Q81.2Confident79.8Confident75 Ų75100.2 Ų100.235%0.3547%0.467SS..Hα-helixtrans-60.8-41.9175.7-158.7-158.183.800110.7Y61 T62 K68 K69Y61-Q65 WeakPolarHBondContact O-CB 3.44Å; Y61-Q65 PolarHBondContact O-N 3.41Å; T62-Q65 PolarHBondContact O-N 3.41Å; Q65-K68 PolarHBondContact O-N 2.88Å; Q65-K69 WeakPolarHBondContact O-CG 3.34Å; Q65-K69 PolarHBondContact O-N 2.93Å
66I79.5Confident79.1Confident81 Ų81100.7 Ų100.742%0.41547%0.466SS..Hα-helixtrans-63.2-46174.2-65.6165000110.4T62 L63 K64 K68 K69 R70T62-I66 VanDerWaalsContact O-CG1 3.24Å; T62-I66 WeakPolarHBondContact O-CG1 3.3Å; T62-I66 PolarHBondContact O-N 3.44Å; L63-I66 PolarHBondContact O-N 2.89Å; K64-I66 VanDerWaalsContact C-N 3.29Å; K64-I66 PolarHBondContact O-N 3.43Å; I66-K68 PolarHBondContact O-N 3.28Å; I66-K69 PolarHBondContact O-N 3.49Å; I66-R70 HydrophobicContact CG2-CG 4.42Å; I66-R70 WeakPolarHBondContact O-CG 3.45Å; I66-R70 PolarHBondContact O-N 2.83Å
67R79Confident78.7Confident171 Ų171103.4 Ų103.465%0.64547%0.469SS*.Hα-helixtrans-61.9-41.3177.1-73.3178.879.7179.95.7112.4L63 K64 R70 K71L63-R67 WeakPolarHBondContact O-CB 3.46Å; L63-R67 VanDerWaalsContact O-CG 3.27Å; L63-R67 WeakPolarHBondContact O-CG 3.44Å; L63-R67 PolarHBondContact O-N 2.93Å; K64-R67 PolarHBondContact O-N 2.91Å; R67-R70 PolarHBondContact O-N 3.45Å; R67-K71 WeakPolarHBondContact O-CG 3.42Å; R67-K71 PolarHBondContact O-N 3.16Å
68K76Confident78.1Confident110 Ų110110.7 Ų110.748%0.47850%0.496SS..Hα-helixtrans-64.6-41.1176.8-169.5175.8-177.9175.60111.2K64 Q65 I66 R72K64-K68 PolarHBondContact O-N 3.36Å; Q65-K68 PolarHBondContact O-N 2.88Å; I66-K68 PolarHBondContact O-N 3.28Å; K68-R72 WeakPolarHBondContact O-CG 3.09Å; K68-R72 PolarHBondContact O-N 3.44Å; K68-R72 VanDerWaalsContact O-N 3.17Å; K68-R72 PolarHBondContact O-NE 2.9Å
69K76Confident77.5Confident109 Ų109109.3 Ų109.347%0.47449%0.493SS..Hα-helixtrans-63.6-42.7173.2-73.5177176.2170.40111.5Q65 I66 R72 K73Q65-K69 WeakPolarHBondContact O-CG 3.34Å; Q65-K69 PolarHBondContact O-N 2.93Å; I66-K69 PolarHBondContact O-N 3.49Å; K69-R72 PolarHBondContact O-N 3.37Å; K69-K73 WeakPolarHBondContact O-CG 3.32Å; K69-K73 PolarHBondContact O-N 2.87Å
70R73.7Confident76.9Confident170 Ų170110.9 Ų110.964%0.64250%0.499SS*.Hα-helixtrans-65.2-41.5177.1-73.6-177.3179.8-159.60.5113.1I66 R67 K73 K74I66-R70 HydrophobicContact CG2-CG 4.42Å; I66-R70 WeakPolarHBondContact O-CG 3.45Å; I66-R70 PolarHBondContact O-N 2.83Å; R67-R70 PolarHBondContact O-N 3.45Å; R70-K73 PolarHBondContact O-N 3.27Å; R70-K74 WeakPolarHBondContact O-CG 3.48Å; R70-K74 PolarHBondContact O-N 2.96Å
71K75.1Confident76.6Confident129 Ų129112.3 Ų112.356%0.56150%0.5SS*.Hα-helixtrans-60.8-47.1175.9-75.3-171.9177.2-167.90111.5R67 K73 K74 E75R67-K71 WeakPolarHBondContact O-CG 3.42Å; R67-K71 PolarHBondContact O-N 3.16Å; K71-K73 VanDerWaalsContact C-N 3.33Å; K71-K73 PolarHBondContact O-N 2.96Å; K71-K74 PolarHBondContact O-N 2.85Å; K71-K74 VanDerWaalsContact O-N 3.13Å; K71-E75 WeakPolarHBondContact O-CG 3.36Å; K71-E75 PolarHBondContact O-N 3.45Å
72R73Confident76.2Confident119 Ų119114.4 Ų114.445%0.44952%0.515SS..Hα-helixtrans-60.6-40.2176.5-72.7-173.8-74.9-155.64112.8K68 K69 E75 I76K68-R72 WeakPolarHBondContact O-CG 3.09Å; K68-R72 PolarHBondContact O-N 3.44Å; K68-R72 VanDerWaalsContact O-N 3.17Å; K68-R72 PolarHBondContact O-NE 2.9Å; K69-R72 PolarHBondContact O-N 3.37Å; R72-E75 PolarHBondContact O-N 3.08Å; R72-I76 WeakPolarHBondContact O-CB 3.3Å; R72-I76 WeakPolarHBondContact O-CD1 3.43Å; R72-I76 WeakPolarHBondContact O-CG1 3.25Å; R72-I76 PolarHBondContact O-N 3.41Å
73K71.6Confident75.7Confident155 Ų155118 Ų11867%0.67453%0.525SS*.Hα-helixtrans-61.7-44.4173.9-73-169.4175.1-159.60112.2K69 R70 K71 I76 E77K69-K73 WeakPolarHBondContact O-CG 3.32Å; K69-K73 PolarHBondContact O-N 2.87Å; R70-K73 PolarHBondContact O-N 3.27Å; K71-K73 VanDerWaalsContact C-N 3.33Å; K71-K73 PolarHBondContact O-N 2.96Å; K73-I76 PolarHBondContact O-N 3Å; K73-E77 WeakPolarHBondContact O-CB 3.41Å; K73-E77 PolarHBondContact O-N 3.37Å
74K73.5Confident75.5Confident134 Ų134120.1 Ų120.158%0.58353%0.532SS*.Hα-helixtrans-66.3-36.4177.9-72.4-171.7176.7-164.40113.3R70 K71 R78R70-K74 WeakPolarHBondContact O-CG 3.48Å; R70-K74 PolarHBondContact O-N 2.96Å; K71-K74 PolarHBondContact O-N 2.85Å; K71-K74 VanDerWaalsContact O-N 3.13Å; K74-R78 WeakPolarHBondContact O-CG 3.07Å; K74-R78 PolarHBondContact O-N 2.91Å; K74-R78 VanDerWaalsContact O-N 3.08Å
75E75.2Confident75.1Confident107 Ų107121.9 Ų121.950%0.554%0.542SS..Hα-helixtrans-68-43.9175.9-73.6162.7-162.300111.1K71 R72 E77 R78 I79K71-E75 WeakPolarHBondContact O-CG 3.36Å; K71-E75 PolarHBondContact O-N 3.45Å; R72-E75 PolarHBondContact O-N 3.08Å; E75-E77 VanDerWaalsContact C-N 3.34Å; E75-E77 PolarHBondContact O-N 3.41Å; E75-R78 PolarHBondContact O-N 2.87Å; E75-I79 VanDerWaalsContact O-CG1 3.28Å; E75-I79 WeakPolarHBondContact O-CG1 3.44Å; E75-I79 PolarHBondContact O-N 2.84Å
76I73.8Confident74.7Confident102 Ų102122.6 Ų122.652%0.52355%0.551SS.*Hα-helixtrans-62.6-41.5175.1-66.5164.9000110.9R72 K73 I79 L80R72-I76 WeakPolarHBondContact O-CB 3.3Å; R72-I76 WeakPolarHBondContact O-CD1 3.43Å; R72-I76 WeakPolarHBondContact O-CG1 3.25Å; R72-I76 PolarHBondContact O-N 3.41Å; K73-I76 PolarHBondContact O-N 3Å; I76-I79 PolarHBondContact O-N 2.88Å; I76-L80 HydrophobicContact CG2-CD1 4Å; I76-L80 HydrophobicContact CG2-CG 4.5Å; I76-L80 WeakPolarHBondContact O-CG 3.29Å; I76-L80 PolarHBondContact O-N 3.47Å
77E76.3Confident74.3Confident109 Ų109123.1 Ų123.151%0.50956%0.555SS.*Hα-helixtrans-61.5-43.5177-173.2176.8-174.300112.1K73 E75 I79 L80 Q81K73-E77 WeakPolarHBondContact O-CB 3.41Å; K73-E77 PolarHBondContact O-N 3.37Å; E75-E77 VanDerWaalsContact C-N 3.34Å; E75-E77 PolarHBondContact O-N 3.41Å; E77-I79 PolarHBondContact O-N 3.14Å; E77-L80 PolarHBondContact O-N 2.79Å; E77-Q81 WeakPolarHBondContact O-CG 3.5Å; E77-Q81 PolarHBondContact O-N 2.82Å
78R72.5Confident73.6Confident171 Ų171117.6 Ų117.665%0.64555%0.546SS*.Hα-helixtrans-63.7-39.6173.8-71.3-173.4-151.5-178.13.3112.8K74 E75 L80 Q81 L82K74-R78 WeakPolarHBondContact O-CG 3.07Å; K74-R78 PolarHBondContact O-N 2.91Å; K74-R78 VanDerWaalsContact O-N 3.08Å; E75-R78 PolarHBondContact O-N 2.87Å; R78-L80 VanDerWaalsContact C-N 3.31Å; R78-Q81 PolarHBondContact O-N 2.97Å; R78-L82 WeakPolarHBondContact O-CG 3.47Å; R78-L82 PolarHBondContact O-N 3.47Å
79I74.8Confident72.9Confident96 Ų96119.9 Ų119.949%0.49255%0.553SS.*Hα-helixtrans-66.4-37.2177.3-66.4164.9000110.6E75 I76 E77 K83E75-I79 VanDerWaalsContact O-CG1 3.28Å; E75-I79 WeakPolarHBondContact O-CG1 3.44Å; E75-I79 PolarHBondContact O-N 2.84Å; I76-I79 PolarHBondContact O-N 2.88Å; E77-I79 PolarHBondContact O-N 3.14Å; I79-K83 WeakPolarHBondContact O-CB 3.31Å; I79-K83 PolarHBondContact O-N 2.85Å
80L73.8Confident72.2Confident105 Ų105121 Ų12155%0.5556%0.56SS.*Hα-helixtrans-65.4-45.2174.6-79.3165.6000111.7I76 E77 R78 L82 K83 E84I76-L80 HydrophobicContact CG2-CD1 4Å; I76-L80 HydrophobicContact CG2-CG 4.5Å; I76-L80 WeakPolarHBondContact O-CG 3.29Å; I76-L80 PolarHBondContact O-N 3.47Å; E77-L80 PolarHBondContact O-N 2.79Å; R78-L80 VanDerWaalsContact C-N 3.31Å; L80-L82 PolarHBondContact O-N 2.87Å; L80-K83 CarbonylContact O-C 3.47Å; L80-K83 PolarHBondContact O-N 3.18Å; L80-K83 VanDerWaalsContact O-N 3.16Å; L80-E84 WeakPolarHBondContact O-CB 3.18Å; L80-E84 PolarHBondContact O-N 2.84Å
81Q76.8Confident71.5Confident100 Ų100117.5 Ų117.547%0.46755%0.553SS.*Hα-helixtrans-59.6-45.7175-73.7175.5-14.900111.8E77 R78 K83 E84 E85E77-Q81 WeakPolarHBondContact O-CG 3.5Å; E77-Q81 PolarHBondContact O-N 2.82Å; R78-Q81 PolarHBondContact O-N 2.97Å; Q81-K83 VanDerWaalsContact C-N 3.32Å; Q81-K83 PolarHBondContact O-N 2.92Å; Q81-E84 PolarHBondContact O-N 2.88Å; Q81-E84 VanDerWaalsContact O-N 3.16Å; Q81-E85 WeakPolarHBondContact O-CG 3.46Å; Q81-E85 PolarHBondContact O-N 3.44Å
82L74.1Confident70.6Confident103 Ų103118.1 Ų118.154%0.53955%0.552SS.*Hα-helixtrans-61.8-39.2174.9-75164.7000112R78 L80 V86R78-L82 WeakPolarHBondContact O-CG 3.47Å; R78-L82 PolarHBondContact O-N 3.47Å; L80-L82 PolarHBondContact O-N 2.87Å; L82-V86 VanDerWaalsContact O-CB 3.29Å; L82-V86 WeakPolarHBondContact O-CB 3.26Å; L82-V86 WeakPolarHBondContact O-CG2 3.44Å; L82-V86 PolarHBondContact O-N 3.31Å
83K73.6Confident69.8Low143 Ų143118.9 Ų118.962%0.62256%0.559SS**Hα-helixtrans-66.3-37.1174-85.4-178.3171.9-92.40112.3I79 L80 Q81 N87I79-K83 WeakPolarHBondContact O-CB 3.31Å; I79-K83 PolarHBondContact O-N 2.85Å; L80-K83 CarbonylContact O-C 3.47Å; L80-K83 PolarHBondContact O-N 3.18Å; L80-K83 VanDerWaalsContact O-N 3.16Å; Q81-K83 VanDerWaalsContact C-N 3.32Å; Q81-K83 PolarHBondContact O-N 2.92Å; K83-N87 WeakPolarHBondContact O-CB 3.32Å; K83-N87 PolarHBondContact O-N 2.82Å
84E76.6Confident69Low142 Ų142114.3 Ų114.366%0.66455%0.545SS*.Hα-helixtrans-69.1-43.7177.3-172.9169.7-169.400111.4L80 Q81 N87 A88L80-E84 WeakPolarHBondContact O-CB 3.18Å; L80-E84 PolarHBondContact O-N 2.84Å; Q81-E84 PolarHBondContact O-N 2.88Å; Q81-E84 VanDerWaalsContact O-N 3.16Å; E84-N87 PolarHBondContact O-N 3.02Å; E84-A88 VanDerWaalsContact O-CB 3.25Å; E84-A88 WeakPolarHBondContact O-CB 3.35Å; E84-A88 PolarHBondContact O-N 3.45Å
85E71.7Confident68.1Low129 Ų129113.7 Ų113.760%0.60355%0.545SS*.Hα-helixtrans-62.7-44.8173.2-72.4176.4-173.300112Q81 A88 Y89Q81-E85 WeakPolarHBondContact O-CG 3.46Å; Q81-E85 PolarHBondContact O-N 3.44Å; E85-A88 PolarHBondContact O-N 3.42Å; E85-Y89 VanDerWaalsContact O-CB 3.26Å; E85-Y89 WeakPolarHBondContact O-CB 3.18Å; E85-Y89 PolarHBondContact O-N 3.09Å
86V72.9Confident66.8Low89 Ų89113.8 Ų113.854%0.53955%0.546SS..Hα-helixtrans-64.3-43.6176.2170.40000110.7L82 Y89 E90L82-V86 VanDerWaalsContact O-CB 3.29Å; L82-V86 WeakPolarHBondContact O-CB 3.26Å; L82-V86 WeakPolarHBondContact O-CG2 3.44Å; L82-V86 PolarHBondContact O-N 3.31Å; V86-Y89 PolarHBondContact O-N 3.01Å; V86-E90 WeakPolarHBondContact O-CB 3.3Å; V86-E90 PolarHBondContact O-N 3.17Å
87N70.8Confident65.9Low92 Ų92112 Ų11249%0.49254%0.543SS..Hα-helixtrans-66.7-41.8178.1-168.524.4000111.5K83 E84 Y89 E90 I91K83-N87 WeakPolarHBondContact O-CB 3.32Å; K83-N87 PolarHBondContact O-N 2.82Å; E84-N87 PolarHBondContact O-N 3.02Å; N87-Y89 PolarHBondContact O-N 2.89Å; N87-E90 PolarHBondContact O-N 3.31Å; N87-I91 WeakPolarHBondContact O-CB 3.29Å; N87-I91 WeakPolarHBondContact O-CD1 3.16Å; N87-I91 WeakPolarHBondContact O-CG1 3.4Å; N87-I91 PolarHBondContact O-N 3.07Å
88A64.2Low64.8Low56 Ų56113.5 Ų113.546%0.46355%0.548SS..Hα-helixtrans-61.5-44.117400000111.1E84 E85 I91 Y92E84-A88 VanDerWaalsContact O-CB 3.25Å; E84-A88 WeakPolarHBondContact O-CB 3.35Å; E84-A88 PolarHBondContact O-N 3.45Å; E85-A88 PolarHBondContact O-N 3.42Å; A88-I91 PolarHBondContact O-N 3.19Å; A88-Y92 VanDerWaalsContact O-CB 3.3Å; A88-Y92 WeakPolarHBondContact O-CB 3.23Å; A88-Y92 PolarHBondContact O-N 3.41Å
89Y60.5Low63.8Low158 Ų158112.4 Ų112.462%0.6255%0.552SS**Hα-helixtrans-66.2-39.5176.7-166-95.4000112.2E85 V86 N87 I91 Y92 K93E85-Y89 VanDerWaalsContact O-CB 3.26Å; E85-Y89 WeakPolarHBondContact O-CB 3.18Å; E85-Y89 PolarHBondContact O-N 3.09Å; V86-Y89 PolarHBondContact O-N 3.01Å; N87-Y89 PolarHBondContact O-N 2.89Å; Y89-I91 VanDerWaalsContact C-N 3.34Å; Y89-Y92 PolarHBondContact O-N 3.42Å; Y89-K93 HydrophobicContact CE1-CD 4.19Å; Y89-K93 WeakPolarHBondContact O-CB 3.37Å; Y89-K93 PolarHBondContact O-N 3.35Å
90E61.6Low62.9Low132 Ų132111.9 Ų111.962%0.61755%0.553SS**Hα-helixtrans-71.3-26.6178-166.3170.4-156.700112.6V86 N87 P94V86-E90 WeakPolarHBondContact O-CB 3.3Å; V86-E90 PolarHBondContact O-N 3.17Å; N87-E90 PolarHBondContact O-N 3.31Å; E90-P94 WeakPolarHBondContact O-CD 3.44Å; E90-P94 VanDerWaalsContact O-CG 3.27Å; E90-P94 WeakPolarHBondContact O-CG 3.31Å
91I59.5Low61.9Low96 Ų96113 Ų11349%0.49256%0.56SS.*Hα-helixtrans-78.6-36.6168.9-65.6164.2000111N87 A88 Y89 P94N87-I91 WeakPolarHBondContact O-CB 3.29Å; N87-I91 WeakPolarHBondContact O-CD1 3.16Å; N87-I91 WeakPolarHBondContact O-CG1 3.4Å; N87-I91 PolarHBondContact O-N 3.07Å; A88-I91 PolarHBondContact O-N 3.19Å; Y89-I91 VanDerWaalsContact C-N 3.34Å; I91-P94 VanDerWaalsContact O-CD 3.29Å; I91-P94 WeakPolarHBondContact O-CD 3.11Å; I91-P94 VanDerWaalsContact O-CG 3.3Å; I91-P94 WeakPolarHBondContact O-CG 3.47Å
92Y56.3Low60.8Low142 Ų142115.1 Ų115.156%0.55757%0.569SS**Hα-helixtrans-74.5-34.6-178.5-147-93.1000112.7A88 Y89 Q95 M96A88-Y92 VanDerWaalsContact O-CB 3.3Å; A88-Y92 WeakPolarHBondContact O-CB 3.23Å; A88-Y92 PolarHBondContact O-N 3.41Å; Y89-Y92 PolarHBondContact O-N 3.42Å; Y92-Q95 PolarHBondContact O-N 3.5Å; Y92-M96 HydrophobicContact CD1-CE 3.69Å; Y92-M96 HydrophobicContact CD1-CG 4.08Å; Y92-M96 HydrophobicContact CE1-CE 3.74Å; Y92-M96 HydrophobicContact CE1-CG 3.93Å; Y92-M96 HydrophobicContact CE1-SD 4.5Å; Y92-M96 PolarHBondContact O-N 2.99Å
93K54.9Low59.7Low135 Ų135112.5 Ų112.559%0.58757%0.567SS**Hα-helixtrans-60.9-45.1180-154.3178.2-173.6-173.80114.2Y89 Q95 M96 S97Y89-K93 HydrophobicContact CE1-CD 4.19Å; Y89-K93 WeakPolarHBondContact O-CB 3.37Å; Y89-K93 PolarHBondContact O-N 3.35Å; K93-Q95 VanDerWaalsContact C-N 3.29Å; K93-Q95 PolarHBondContact O-N 3.41Å; K93-M96 PolarHBondContact O-N 3.46Å; K93-S97 WeakPolarHBondContact O-CB 3.28Å; K93-S97 PolarHBondContact O-N 3.15Å; K93-S97 PolarHBondContact O-OG 3.25Å
94P55.5Low58.5Low60 Ų60115.1 Ų115.139%0.3958%0.575SS.*Hα-helixtrans-69.8-25.2174.526.1-33.2000112.5E90 I91 S97 K98E90-P94 WeakPolarHBondContact O-CD 3.44Å; E90-P94 VanDerWaalsContact O-CG 3.27Å; E90-P94 WeakPolarHBondContact O-CG 3.31Å; I91-P94 VanDerWaalsContact O-CD 3.29Å; I91-P94 WeakPolarHBondContact O-CD 3.11Å; I91-P94 VanDerWaalsContact O-CG 3.3Å; I91-P94 WeakPolarHBondContact O-CG 3.47Å; P94-S97 WeakPolarHBondContact CA-OG 3.34Å; P94-S97 PolarHBondContact O-OG 2.92Å; P94-S97 VanDerWaalsContact O-OG 3.1Å; P94-K98 WeakPolarHBondContact O-CB 3.32Å; P94-K98 WeakPolarHBondContact O-CG 3.36Å; P94-K98 PolarHBondContact O-N 2.97Å; P94-K98 VanDerWaalsContact O-N 3.14Å
95Q54.1Low57.2Low121 Ų121114.8 Ų114.857%0.56558%0.578SS**Hα-helixtrans-76.1-42173.3-72.6-160.6-19.500112.3Y92 K93 K98 M99Y92-Q95 PolarHBondContact O-N 3.5Å; K93-Q95 VanDerWaalsContact C-N 3.29Å; K93-Q95 PolarHBondContact O-N 3.41Å; Q95-K98 PolarHBondContact O-N 3.32Å; Q95-M99 WeakPolarHBondContact O-CB 3.44Å; Q95-M99 PolarHBondContact O-N 3.17Å
96M48.9Very low56Low108 Ų108115.6 Ų115.653%0.53259%0.586SS.*Hα-helixtrans-63.6-43.7173.3-102.9-152.2-93.500111.1Y92 K93 K98 M99 T100Y92-M96 HydrophobicContact CD1-CE 3.69Å; Y92-M96 HydrophobicContact CD1-CG 4.08Å; Y92-M96 HydrophobicContact CE1-CE 3.74Å; Y92-M96 HydrophobicContact CE1-CG 3.93Å; Y92-M96 HydrophobicContact CE1-SD 4.5Å; Y92-M96 PolarHBondContact O-N 2.99Å; K93-M96 PolarHBondContact O-N 3.46Å; M96-K98 VanDerWaalsContact C-N 3.32Å; M96-K98 PolarHBondContact O-N 2.98Å; M96-M99 PolarHBondContact O-N 2.92Å; M96-T100 PolarHBondContact O-N 3.43Å; M96-T100 PolarHBondContact O-OG1 2.98Å
97S54.5Low54.7Low65 Ų65118 Ų11846%0.45560%0.6SS.*Hα-helixtrans-60.9-42.5177.267.50000111.7K93 P94 T100 D101K93-S97 WeakPolarHBondContact O-CB 3.28Å; K93-S97 PolarHBondContact O-N 3.15Å; K93-S97 PolarHBondContact O-OG 3.25Å; P94-S97 WeakPolarHBondContact CA-OG 3.34Å; P94-S97 PolarHBondContact O-OG 2.92Å; P94-S97 VanDerWaalsContact O-OG 3.1Å; S97-T100 WeakPolarHBondContact CA-OG1 3.49Å; S97-T100 PolarHBondContact O-N 3.41Å; S97-T100 PolarHBondContact O-OG1 3.01Å; S97-D101 WeakPolarHBondContact O-CB 3.45Å; S97-D101 PolarHBondContact O-N 3.49Å
98K53.6Low53.4Low141 Ų141116.5 Ų116.561%0.61361%0.607SS**Hα-helixtrans-65.4-40.6175.3-76.1178.9179.6-169.40113.1P94 Q95 M96 D101 E102P94-K98 WeakPolarHBondContact O-CB 3.32Å; P94-K98 WeakPolarHBondContact O-CG 3.36Å; P94-K98 PolarHBondContact O-N 2.97Å; P94-K98 VanDerWaalsContact O-N 3.14Å; Q95-K98 PolarHBondContact O-N 3.32Å; M96-K98 VanDerWaalsContact C-N 3.32Å; M96-K98 PolarHBondContact O-N 2.98Å; K98-D101 PolarHBondContact O-N 2.75Å; K98-E102 WeakPolarHBondContact O-CG 3.4Å; K98-E102 PolarHBondContact O-N 3.25Å
99M51.7Low52.5Low147 Ų147121.2 Ų121.272%0.72462%0.624SS**Hα-helixtrans-68-36.5176.3-101.8179.4173.900112.9Q95 M96 G103Q95-M99 WeakPolarHBondContact O-CB 3.44Å; Q95-M99 PolarHBondContact O-N 3.17Å; M96-M99 PolarHBondContact O-N 2.92Å; M99-G103 PolarHBondContact O-N 3.04Å
100T55.1Low51.6Low85 Ų85121.5 Ų121.552%0.52164%0.636SS.*Hα-helixtrans-70.7-33.4173.637.50000112.4M96 S97 G103 Y104M96-T100 PolarHBondContact O-N 3.43Å; M96-T100 PolarHBondContact O-OG1 2.98Å; S97-T100 WeakPolarHBondContact CA-OG1 3.49Å; S97-T100 PolarHBondContact O-N 3.41Å; S97-T100 PolarHBondContact O-OG1 3.01Å; T100-G103 PolarHBondContact O-N 3.07Å; T100-Y104 WeakPolarHBondContact O-CD2 3.48Å
101D54Low50.9Low129 Ų129122.5 Ų122.569%0.6964%0.64SS**Hα-helixtrans-70.6-42.3177.6-14728.9000110.7S97 K98 G103S97-D101 WeakPolarHBondContact O-CB 3.45Å; S97-D101 PolarHBondContact O-N 3.49Å; K98-D101 PolarHBondContact O-N 2.75Å; D101-G103 VanDerWaalsContact C-N 3.3Å; D101-G103 PolarHBondContact O-N 3.06Å
102E52.9Low50.1Low144 Ų144123.7 Ų123.767%0.67365%0.648SS**Hα-helixtrans-73.8-18.5175.5-69.2-176.3174.800113.8K98K98-E102 WeakPolarHBondContact O-CG 3.4Å; K98-E102 PolarHBondContact O-N 3.25Å
103G50.7Low49.5Very low48 Ų48126.3 Ų126.350%0.49567%0.665SS.*Hα-helixtrans-79.7-18.3-178.500000115M99 T100 D101M99-G103 PolarHBondContact O-N 3.04Å; T100-G103 PolarHBondContact O-N 3.07Å; D101-G103 VanDerWaalsContact C-N 3.3Å; D101-G103 PolarHBondContact O-N 3.06Å
104Y48.1Very low49.1Very low198 Ų198130 Ų13078%0.77668%0.676SS**SBendtrans-93.7-13.4-179.2-89-83.8000114.4T100T100-Y104 WeakPolarHBondContact O-CD2 3.48Å
105D50.1Low48.5Very low136 Ų136133.5 Ų133.573%0.72770%0.696SS**THydrogen-bonded Turntrans-87.3-7-175.1-79-2.8000114.7
106N47.3Very low48Very low146 Ų146134.5 Ų134.578%0.78171%0.71SS**THydrogen-bonded Turntrans-109.413.7-177.3-67-37.3000115.1
107V44.6Very low47.8Very low138 Ų138136 Ų13684%0.83673%0.725SS**  trans-119.969.6172.2-166.40000109.3
108G43Very low47.4Very low62 Ų62144.7 Ų144.764%0.63977%0.766SS**SBendtrans-15174.9-17600000113.5
109L45.7Very low47.1Very low154 Ų154144.9 Ų144.981%0.80677%0.773SS**  trans67.279.6157.7-75.391.7000118.4H111L109-H111 VanDerWaalsContact C-N 3.34Å; L109-H111 HydrophobicContact CD2-CB 4.28Å; L109-H111 HydrophobicContact CG-CB 4.47Å
110D42.5Very low46.8Very low164 Ų164144.8 Ų144.888%0.87778%0.776SS**  trans-87.582.9133.9-165.51.2000107.4
111H46.8Very low46.3Very low153 Ų153148.1 Ų148.171%0.70879%0.79SS**  trans-118.172.6172.3-119.7-42.8000109.1L109 E113L109-H111 VanDerWaalsContact C-N 3.34Å; L109-H111 HydrophobicContact CD2-CB 4.28Å; L109-H111 HydrophobicContact CG-CB 4.47Å; H111-E113 PolarHBondContact O-N 2.64Å
112N42.4Very low45.9Very low121 Ų121149.2 Ų149.265%0.64780%0.796SS**  24.469.8127-159.722.2000116R114N112-R114 PolarHBondContact O-N 3.03Å; N112-R114 VanDerWaalsContact O-N 3.13Å; N112-R114 VanDerWaalsContact OD1-CB 3.31Å; N112-R114 WeakPolarHBondContact OD1-CB 3.25Å
113E44.1Very low45.5Very low198 Ų198149.6 Ų149.693%0.92580%0.804SS**  trans-82.571.7157.7-78.8-169.215900108.8H111H111-E113 PolarHBondContact O-N 2.64Å
114R45Very low45.1Very low213 Ų213156.3 Ų156.380%0.80482%0.824SS**  trans-105.774.3166-169.8-167-107.7-173.5-2.2109.2N112N112-R114 PolarHBondContact O-N 3.03Å; N112-R114 VanDerWaalsContact O-N 3.13Å; N112-R114 VanDerWaalsContact OD1-CB 3.31Å; N112-R114 WeakPolarHBondContact OD1-CB 3.25Å
115T44Very low44.9Very low132 Ų132153.4 Ų153.481%0.8183%0.828SS**  trans-174.192.715812.10000106.3
116T42.2Very low44.5Very low143 Ų143154.7 Ų154.788%0.87784%0.835SS**  -158.8106.683.320.40000110
117T44.6Very low44.3Very low138 Ų138155.4 Ų155.485%0.84784%0.84SS**  trans-97.9111.8160.649.10000108.5
118L46.4Very low44.2Very low249 Ų249157 Ų157100%1.30484%0.84SS**  trans66.50158.6-61.7168.6000117.9

Retrieved 118 of 118 residues in 176.5 ms (Link to these results)