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Gamma-tubulin complex component

Component of the gamma-tubulin ring complex (gTuRC) which mediates microtubule nucleation. The gTuRC regulates the minus-end nucleation of alpha-beta tubulin heterodimers that grow into microtubule protafilaments, a critical step in centrosome duplication and spindle formation.

AlphaFold DB , UniProt , Accession A0A096N6U6, Species PAPAN (Papio anubis, Olive baboon), Gene TUBGCP4, Length 667 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
1M82.9Confident89.3Confident69 Ų6933.5 Ų33.534%0.3418%0.183SC..  0-47.80-167179.371.300112.5H3 E4 L5 F33 L34 L42 I119M1-H3 PolarHBondContact O-N 3.31Å; M1-E4 PolarHBondContact O-N 3.09Å; M1-L5 PolarHBondContact O-N 3.27Å; M1-F33 HydrophobicContact SD-CE2 4.39Å; M1-L34 HydrophobicContact CE-CD2 3.74Å; M1-L34 HydrophobicContact SD-CD1 3.85Å; M1-L34 HydrophobicContact SD-CD2 3.71Å; M1-L34 HydrophobicContact SD-CG 4.3Å; M1-L42 HydrophobicContact CE-CD1 4.26Å; M1-L42 HydrophobicContact SD-CD1 4.13Å; M1-I119 HydrophobicContact CE-CD1 3.3Å; M1-I119 HydrophobicContact CE-CG1 3.83Å
2I86.2Confident89.4Confident18 Ų1844.3 Ų44.39%0.09222%0.221CC..Hα-helixtrans-60.2-42.3178.3-60-62.8000112.5E4 L5 L6 F111 L117 I119 V122I2-E4 PolarHBondContact O-N 3.01Å; I2-L5 HydrophobicContact CD1-CD2 4.48Å; I2-L5 WeakPolarHBondContact O-CB 3.44Å; I2-L5 PolarHBondContact O-N 3.31Å; I2-L5 VanDerWaalsContact O-N 3.1Å; I2-L6 HydrophobicContact CG2-CD1 4.36Å; I2-L6 HydrophobicContact CG2-CG 4.44Å; I2-L6 WeakPolarHBondContact O-CG 3.48Å; I2-L6 PolarHBondContact O-N 3.17Å; I2-F111 HydrophobicContact CB-CD2 4.25Å; I2-F111 HydrophobicContact CB-CE2 4.06Å; I2-F111 HydrophobicContact CG2-CD2 3.86Å; I2-F111 HydrophobicContact CG2-CE2 4.19Å; I2-F111 HydrophobicContact CG2-CG 4.36Å; I2-L117 WeakPolarHBondContact CG1-O 3.32Å; I2-L117 HydrophobicContact CG2-CD2 4.43Å; I2-I119 HydrophobicContact CD1-CG1 3.76Å; I2-V122 HydrophobicContact CG2-CG2 4.48Å
3H88.8Confident89.3Confident89 Ų8946.2 Ų46.241%0.41224%0.239SC..Hα-helixtrans-55.5-50.3173.3-179.464.5000113M1 L5 L6 L7 F111M1-H3 PolarHBondContact O-N 3.31Å; H3-L5 VanDerWaalsContact C-N 3.26Å; H3-L5 PolarHBondContact O-N 3.3Å; H3-L6 PolarHBondContact O-N 2.96Å; H3-L7 WeakPolarHBondContact NE2-CD1 3.36Å; H3-L7 PolarHBondContact O-N 3.32Å; H3-F111 HydrophobicContact CB-CE1 4.01Å; H3-F111 HydrophobicContact CB-CZ 4.32Å
4E89.3Confident89.1Confident54 Ų5444.8 Ų44.825%0.25224%0.241SC..Hα-helixtrans-61-34175.6-67.1-70.8139.800112.4M1 I2 A8 I16 F17M1-E4 PolarHBondContact O-N 3.09Å; I2-E4 PolarHBondContact O-N 3.01Å; E4-A8 VanDerWaalsContact O-CB 3.25Å; E4-A8 WeakPolarHBondContact O-CB 3.42Å; E4-A8 PolarHBondContact O-N 2.84Å; E4-I16 HydrophobicContact CB-CD1 4.37Å; E4-I16 HydrophobicContact CG-CD1 4Å; E4-I16 HydrophobicContact CG-CG1 4.42Å; E4-F17 HydrophobicContact CB-CD2 3.96Å; E4-F17 HydrophobicContact CB-CE2 3.93Å; E4-F17 WeakPolarHBondContact O-CD2 3.43Å
5L89.5Confident88.7Confident1 Ų148.6 Ų48.61%0.00527%0.272CS..Hα-helixtrans-68.4-44.8176.3176.464.1000111.4M1 I2 H3 A8 L9 F17 L42 L45 V122M1-L5 PolarHBondContact O-N 3.27Å; I2-L5 HydrophobicContact CD1-CD2 4.48Å; I2-L5 WeakPolarHBondContact O-CB 3.44Å; I2-L5 PolarHBondContact O-N 3.31Å; I2-L5 VanDerWaalsContact O-N 3.1Å; H3-L5 VanDerWaalsContact C-N 3.26Å; H3-L5 PolarHBondContact O-N 3.3Å; L5-A8 PolarHBondContact O-N 3.26Å; L5-L9 HydrophobicContact CD1-CD1 4.17Å; L5-L9 HydrophobicContact CD1-CG 4.25Å; L5-L9 HydrophobicContact CG-CD1 4.03Å; L5-L9 WeakPolarHBondContact O-CB 3.41Å; L5-L9 VanDerWaalsContact O-CG 3.25Å; L5-L9 WeakPolarHBondContact O-CG 3.39Å; L5-L9 PolarHBondContact O-N 3.48Å; L5-F17 VanDerWaalsContact CA-CE2 3.47Å; L5-F17 HydrophobicContact CB-CE2 3.76Å; L5-F17 HydrophobicContact CB-CZ 3.79Å; L5-F17 HydrophobicContact CD1-CE1 3.89Å; L5-F17 HydrophobicContact CD1-CE2 4.35Å; L5-F17 HydrophobicContact CD1-CZ 3.75Å; L5-F17 HydrophobicContact CG-CZ 4.33Å; L5-L42 HydrophobicContact CD1-CD2 4.04Å; L5-L42 HydrophobicContact CD2-CD2 3.77Å; L5-L42 HydrophobicContact CG-CD2 4.47Å; L5-L45 HydrophobicContact CD1-CB 4.34Å; L5-L45 HydrophobicContact CD1-CD1 4.42Å; L5-L45 HydrophobicContact CD2-CD1 4Å; L5-V122 HydrophobicContact CD2-CG1 4.19Å
6L91Very high88.4Confident12 Ų1247.6 Ų47.66%0.06327%0.265CS..Hα-helixtrans-64.3-40.8177.2-67.7178.3000111.4I2 H3 L9 S10 L104 L107 E108 F111I2-L6 HydrophobicContact CG2-CD1 4.36Å; I2-L6 HydrophobicContact CG2-CG 4.44Å; I2-L6 WeakPolarHBondContact O-CG 3.48Å; I2-L6 PolarHBondContact O-N 3.17Å; H3-L6 PolarHBondContact O-N 2.96Å; L6-L9 PolarHBondContact O-N 2.89Å; L6-S10 WeakPolarHBondContact O-CB 3.47Å; L6-S10 PolarHBondContact O-N 3.26Å; L6-S10 PolarHBondContact O-OG 3.43Å; L6-L104 HydrophobicContact CD2-CD2 4.47Å; L6-L107 HydrophobicContact CD2-CB 3.99Å; L6-L107 HydrophobicContact CD2-CD1 4.24Å; L6-E108 HydrophobicContact CD1-CB 4.49Å; L6-F111 HydrophobicContact CD1-CB 4.42Å
7L91.1Very high88.4Confident59 Ų5944.8 Ų44.831%0.30925%0.25SC..Hα-helixtrans-60.4-45.6173.1-76.4173.2000111.7H3 L9 S10 G11 Y12H3-L7 WeakPolarHBondContact NE2-CD1 3.36Å; H3-L7 PolarHBondContact O-N 3.32Å; L7-L9 PolarHBondContact O-N 3.05Å; L7-S10 CarbonylContact O-C 3.48Å; L7-S10 WeakPolarHBondContact O-CB 3.46Å; L7-S10 PolarHBondContact O-N 3.32Å; L7-S10 VanDerWaalsContact O-N 3.14Å; L7-G11 PolarHBondContact O-N 3.14Å; L7-Y12 CarbonylContact C-O 3.57Å; L7-Y12 PolarHBondContact O-N 2.86Å
8A90.9Very high88.3Confident0 Ų045.7 Ų45.70%026%0.257CS..Hα-helixtrans-67.9-36.2-179.800000112.6E4 L5 S10 G11 Y12 F17 L25E4-A8 VanDerWaalsContact O-CB 3.25Å; E4-A8 WeakPolarHBondContact O-CB 3.42Å; E4-A8 PolarHBondContact O-N 2.84Å; L5-A8 PolarHBondContact O-N 3.26Å; A8-S10 VanDerWaalsContact C-N 3.29Å; A8-S10 PolarHBondContact O-N 3.05Å; A8-G11 PolarHBondContact O-N 2.71Å; A8-G11 VanDerWaalsContact O-N 3.15Å; A8-Y12 WeakPolarHBondContact CA-O 3.43Å; A8-Y12 PolarHBondContact N-O 3.22Å; A8-F17 HydrophobicContact CB-CB 3.56Å; A8-F17 HydrophobicContact CB-CD2 4.04Å; A8-F17 HydrophobicContact CB-CG 3.87Å; A8-L25 HydrophobicContact CB-CD1 4.3Å; A8-L25 HydrophobicContact CB-CD2 3.74Å
9L92.1Very high88.3Confident1 Ų146.9 Ų46.91%0.00526%0.257CS..Hα-helixtrans-68.1-27.5171.6-73.8172.5000113.2L5 L6 L7 G11 L45 Y100 L104 V122 L126L5-L9 HydrophobicContact CD1-CD1 4.17Å; L5-L9 HydrophobicContact CD1-CG 4.25Å; L5-L9 HydrophobicContact CG-CD1 4.03Å; L5-L9 WeakPolarHBondContact O-CB 3.41Å; L5-L9 VanDerWaalsContact O-CG 3.25Å; L5-L9 WeakPolarHBondContact O-CG 3.39Å; L5-L9 PolarHBondContact O-N 3.48Å; L6-L9 PolarHBondContact O-N 2.89Å; L7-L9 PolarHBondContact O-N 3.05Å; L9-G11 PolarHBondContact O-N 2.82Å; L9-L45 HydrophobicContact CD2-CB 4.37Å; L9-L45 VanDerWaalsContact CD2-O 3.27Å; L9-L45 WeakPolarHBondContact CD2-O 3.45Å; L9-Y100 PolarHBondContact O-OH 3.41Å; L9-L104 HydrophobicContact CB-CD2 3.96Å; L9-L104 HydrophobicContact CD1-CD2 4.35Å; L9-V122 HydrophobicContact CD1-CG1 4.29Å; L9-L126 HydrophobicContact CD1-CD1 3.59Å
10S91.4Very high88.3Confident44 Ų4448.1 Ų48.131%0.30826%0.263SS..THydrogen-bonded Turntrans-79.2-3.9173.1-55.40000112.9L6 L7 A8 Y52L6-S10 WeakPolarHBondContact O-CB 3.47Å; L6-S10 PolarHBondContact O-N 3.26Å; L6-S10 PolarHBondContact O-OG 3.43Å; L7-S10 CarbonylContact O-C 3.48Å; L7-S10 WeakPolarHBondContact O-CB 3.46Å; L7-S10 PolarHBondContact O-N 3.32Å; L7-S10 VanDerWaalsContact O-N 3.14Å; A8-S10 VanDerWaalsContact C-N 3.29Å; A8-S10 PolarHBondContact O-N 3.05Å; S10-Y52 WeakPolarHBondContact O-CE1 3.46Å
11G88.9Confident87.7Confident22 Ų2254.8 Ų54.823%0.22729%0.29CS..THydrogen-bonded Turntrans97.910.4175.800000115.2L7 A8 L9 P13L7-G11 PolarHBondContact O-N 3.14Å; A8-G11 PolarHBondContact O-N 2.71Å; A8-G11 VanDerWaalsContact O-N 3.15Å; L9-G11 PolarHBondContact O-N 2.82Å; G11-P13 WeakPolarHBondContact O-CD 3.32Å
12Y90.3Very high87.5Confident163 Ų16362.6 Ų62.664%0.63932%0.315SS*.  trans-104.2104.6177.3-62.2-76.8000110.7L7 A8L7-Y12 CarbonylContact C-O 3.57Å; L7-Y12 PolarHBondContact O-N 2.86Å; A8-Y12 WeakPolarHBondContact CA-O 3.43Å; A8-Y12 PolarHBondContact N-O 3.22Å
13P88.9Confident87.1Confident69 Ų6964.3 Ų64.345%0.44833%0.329SS..  trans-66144.2178.3-17.832.3000111.3G11 W19 L25G11-P13 WeakPolarHBondContact O-CD 3.32Å; P13-W19 HydrophobicContact CB-CB 3.64Å; P13-W19 HydrophobicContact CG-CB 3.44Å; P13-W19 VanDerWaalsContact CG-CB 3.44Å; P13-W19 HydrophobicContact CG-CG 4.13Å; P13-L25 HydrophobicContact CB-CD1 4.47Å
14G85.6Confident87Confident26 Ų2660.1 Ų60.127%0.26831%0.309SS..  trans-120.6-168.4179.100000112.7F17G14-F17 PolarHBondContact N-O 3.47Å; G14-F17 CarbonylContact O-C 3.58Å; G14-F17 VanDerWaalsContact O-O 3.12Å
15S82.9Confident87Confident102 Ų10257.9 Ų57.971%0.71330%0.299SS*.SBendtrans-78.3-28.5174.256.80000112.6
16I84.4Confident86.8Confident32 Ų3261.7 Ų61.716%0.16432%0.317CS..SBendtrans-82.9-45.4176.6-58-169.3000110.9E4 S28 F31E4-I16 HydrophobicContact CB-CD1 4.37Å; E4-I16 HydrophobicContact CG-CD1 4Å; E4-I16 HydrophobicContact CG-CG1 4.42Å; I16-S28 PolarHBondContact O-N 3.23Å; I16-F31 HydrophobicContact CB-CZ 4.28Å; I16-F31 HydrophobicContact CD1-CZ 4.42Å; I16-F31 HydrophobicContact CG1-CZ 4.03Å; I16-F31 HydrophobicContact CG2-CE2 3.71Å; I16-F31 HydrophobicContact CG2-CZ 3.86Å
17F88.2Confident86.5Confident0 Ų061.6 Ų61.60%032%0.317CS..EExtended strand (participates in β ladder)trans-10994.9179-60.2-79.7000109.2E4 L5 A8 G14 L25 Q26 V27 L42 C46E4-F17 HydrophobicContact CB-CD2 3.96Å; E4-F17 HydrophobicContact CB-CE2 3.93Å; E4-F17 WeakPolarHBondContact O-CD2 3.43Å; L5-F17 VanDerWaalsContact CA-CE2 3.47Å; L5-F17 HydrophobicContact CB-CE2 3.76Å; L5-F17 HydrophobicContact CB-CZ 3.79Å; L5-F17 HydrophobicContact CD1-CE1 3.89Å; L5-F17 HydrophobicContact CD1-CE2 4.35Å; L5-F17 HydrophobicContact CD1-CZ 3.75Å; L5-F17 HydrophobicContact CG-CZ 4.33Å; A8-F17 HydrophobicContact CB-CB 3.56Å; A8-F17 HydrophobicContact CB-CD2 4.04Å; A8-F17 HydrophobicContact CB-CG 3.87Å; G14-F17 PolarHBondContact N-O 3.47Å; G14-F17 CarbonylContact O-C 3.58Å; G14-F17 VanDerWaalsContact O-O 3.12Å; F17-L25 HydrophobicContact CB-CD1 4.27Å; F17-L25 HydrophobicContact CB-CG 4.36Å; F17-Q26 CarbonylContact C-O 3.6Å; F17-Q26 WeakPolarHBondContact CA-O 3.28Å; F17-V27 HydrophobicContact CD1-CG2 4Å; F17-V27 HydrophobicContact CE1-CG1 4.32Å; F17-V27 HydrophobicContact CE1-CG2 3.79Å; F17-L42 HydrophobicContact CE1-CB 4.46Å; F17-L42 HydrophobicContact CE1-CD2 4.3Å; F17-L42 HydrophobicContact CZ-CD2 4.14Å; F17-C46 VanDerWaalsContact CD1-SG 3.53Å
18T87Confident86.1Confident61 Ų6160.8 Ų60.837%0.37432%0.316SS..EExtended strand (participates in β ladder)trans-88.1148.1-174.9600000111.2L25 Q26T18-L25 CarbonylContact O-C 3.53Å; T18-L25 WeakPolarHBondContact O-CA 3.41Å; T18-Q26 PolarHBondContact N-O 2.88Å; T18-Q26 PolarHBondContact O-N 3.05Å
19W88.4Confident84.9Confident70 Ų7069.3 Ų69.327%0.26536%0.356SS..EExtended strand (participates in β ladder)trans-101.7128.5176.9176.6-107.7000111.7P13 L25 T50 I53P13-W19 HydrophobicContact CB-CB 3.64Å; P13-W19 HydrophobicContact CG-CB 3.44Å; P13-W19 VanDerWaalsContact CG-CB 3.44Å; P13-W19 HydrophobicContact CG-CG 4.13Å; W19-L25 HydrophobicContact CE3-CB 4.11Å; W19-L25 HydrophobicContact CE3-CD1 4.33Å; W19-L25 HydrophobicContact CZ3-CB 4.37Å; W19-T50 HydrophobicContact CH2-CG2 4.05Å; W19-T50 HydrophobicContact CZ3-CG2 3.93Å; W19-I53 HydrophobicContact CD2-CD1 4.36Å; W19-I53 HydrophobicContact CE3-CD1 3.63Å; W19-I53 HydrophobicContact CH2-CB 3.83Å; W19-I53 HydrophobicContact CH2-CD1 4.03Å; W19-I53 HydrophobicContact CH2-CG2 3.57Å; W19-I53 HydrophobicContact CZ2-CB 4.46Å; W19-I53 HydrophobicContact CZ2-CG2 3.7Å; W19-I53 HydrophobicContact CZ3-CB 4.11Å; W19-I53 HydrophobicContact CZ3-CD1 3.45Å; W19-I53 VanDerWaalsContact CZ3-CD1 3.45Å; W19-I53 HydrophobicContact CZ3-CG1 4.38Å; W19-I53 HydrophobicContact CZ3-CG2 4.17Å
20N87.3Confident83.7Confident70 Ų7075.7 Ų75.737%0.37439%0.39SS..EExtended strand (participates in β ladder)trans-120.9129.8171.4-175.4-30.1000109.6R22 S23 G24N20-R22 PolarHBondContact O-N 3.17Å; N20-R22 VanDerWaalsContact O-N 3.1Å; N20-R22 PolarHBondContact OD1-N 2.84Å; N20-S23 WeakPolarHBondContact CB-OG 3.39Å; N20-S23 PolarHBondContact ND2-OG 3.09Å; N20-S23 PolarHBondContact O-N 3.06Å; N20-G24 PolarHBondContact N-O 3.17Å; N20-G24 VanDerWaalsContact O-CA 3.25Å; N20-G24 WeakPolarHBondContact O-CA 3.43Å; N20-G24 PolarHBondContact O-N 3.06Å
21K77.2Confident82.9Confident189 Ų18976.2 Ų76.282%0.82239%0.387SS*.THydrogen-bonded Turntrans-56.8-28.4179-68.2-170.1176.2-172.90113.9
22R77.7Confident82.1Confident233 Ų23381.3 Ų81.388%0.87942%0.416SS*.THydrogen-bonded Turntrans-89.4-46.6-178.4-66.8-174.3-178.2-179.31.1113N20N20-R22 PolarHBondContact O-N 3.17Å; N20-R22 VanDerWaalsContact O-N 3.1Å; N20-R22 PolarHBondContact OD1-N 2.84Å
23S78.3Confident81.7Confident54 Ų5480 Ų8038%0.37841%0.414SS..THydrogen-bonded Turntrans-102.8-4.5-172.1540000114.4N20 Q26N20-S23 WeakPolarHBondContact CB-OG 3.39Å; N20-S23 PolarHBondContact ND2-OG 3.09Å; N20-S23 PolarHBondContact O-N 3.06Å; S23-Q26 VanDerWaalsContact OG-CD 3.32Å; S23-Q26 PolarHBondContact OG-NE2 3.32Å; S23-Q26 VanDerWaalsContact OG-NE2 3.07Å; S23-Q26 PolarHBondContact OG-OE1 3.07Å
24G87.3Confident81.4Confident0 Ų077.8 Ų77.80%040%0.398CS..EExtended strand (participates in β ladder)trans79-151.5-176.800000112.9N20N20-G24 PolarHBondContact N-O 3.17Å; N20-G24 VanDerWaalsContact O-CA 3.25Å; N20-G24 WeakPolarHBondContact O-CA 3.43Å; N20-G24 PolarHBondContact O-N 3.06Å
25L88.5Confident81.4Confident7 Ų782 Ų824%0.03741%0.41CS..EExtended strand (participates in β ladder)trans-75.8133.8178.7-162.273.7000110.2A8 P13 F17 T18 W19 C46 T50A8-L25 HydrophobicContact CB-CD1 4.3Å; A8-L25 HydrophobicContact CB-CD2 3.74Å; P13-L25 HydrophobicContact CB-CD1 4.47Å; F17-L25 HydrophobicContact CB-CD1 4.27Å; F17-L25 HydrophobicContact CB-CG 4.36Å; T18-L25 CarbonylContact O-C 3.53Å; T18-L25 WeakPolarHBondContact O-CA 3.41Å; W19-L25 HydrophobicContact CE3-CB 4.11Å; W19-L25 HydrophobicContact CE3-CD1 4.33Å; W19-L25 HydrophobicContact CZ3-CB 4.37Å; L25-C46 HydrophobicContact CB-CB 4.05Å; L25-C46 HydrophobicContact CD2-CB 4.09Å; L25-C46 HydrophobicContact CG-CB 4.21Å; L25-C46 WeakPolarHBondContact O-CB 3.5Å; L25-T50 WeakPolarHBondContact CB-OG1 3.5Å; L25-T50 PolarHBondContact N-OG1 2.91Å
26Q85.4Confident81.6Confident82 Ų8281.8 Ų81.838%0.38341%0.407SS..EExtended strand (participates in β ladder)trans-138.3145.2-178.5-66.7-176-33.500111.8F17 T18 S23F17-Q26 CarbonylContact C-O 3.6Å; F17-Q26 WeakPolarHBondContact CA-O 3.28Å; T18-Q26 PolarHBondContact N-O 2.88Å; T18-Q26 PolarHBondContact O-N 3.05Å; S23-Q26 VanDerWaalsContact OG-CD 3.32Å; S23-Q26 PolarHBondContact OG-NE2 3.32Å; S23-Q26 VanDerWaalsContact OG-NE2 3.07Å; S23-Q26 PolarHBondContact OG-OE1 3.07Å
27V85.4Confident81.7Confident10 Ų1083.7 Ų83.76%0.06142%0.423CS..EExtended strand (participates in β ladder)trans-78.9132.7170.8-164.80000109F17 Q29 L42F17-V27 HydrophobicContact CD1-CG2 4Å; F17-V27 HydrophobicContact CE1-CG1 4.32Å; F17-V27 HydrophobicContact CE1-CG2 3.79Å; V27-Q29 PolarHBondContact O-N 3.42Å; V27-L42 HydrophobicContact CG1-CD1 4.43Å; V27-L42 HydrophobicContact CG2-CB 3.64Å
28S82Confident81.6Confident42 Ų4287.6 Ų87.629%0.29444%0.441SS..  trans-59.8133.4170-173.60000110.6I16 D30 F31I16-S28 PolarHBondContact O-N 3.23Å; S28-D30 PolarHBondContact O-N 3.09Å; S28-F31 WeakPolarHBondContact O-CD2 3.4Å
29Q66.3Low81.6Confident178 Ų17886.4 Ų86.483%0.83243%0.434SS*.SBendtrans-79.3-0.7-171-63.9-157.2-1.700114.4V27V27-Q29 PolarHBondContact O-N 3.42Å
30D66.8Low81.6Confident136 Ų13686.9 Ų86.973%0.72745%0.448SS*.  trans-104.135.2-166.6-61.2-38.8000114.5S28 P32S28-D30 PolarHBondContact O-N 3.09Å; D30-P32 WeakPolarHBondContact O-CD 3.42Å
31F73.8Confident81.7Confident54 Ų5485.7 Ų85.724%0.23744%0.443CS..  trans-103.3106.5176.8-65.2-64.5000112.1I16 S28 F33 L34I16-F31 HydrophobicContact CB-CZ 4.28Å; I16-F31 HydrophobicContact CD1-CZ 4.42Å; I16-F31 HydrophobicContact CG1-CZ 4.03Å; I16-F31 HydrophobicContact CG2-CE2 3.71Å; I16-F31 HydrophobicContact CG2-CZ 3.86Å; S28-F31 WeakPolarHBondContact O-CD2 3.4Å; F31-F33 HydrophobicContact CB-CD1 4.36Å; F31-F33 HydrophobicContact CB-CE1 3.95Å; F31-F33 HydrophobicContact CB-CE2 4.4Å; F31-F33 HydrophobicContact CB-CZ 3.96Å; F31-F33 AromaticContact CD1-CE1 3.47Å; F31-F33 HydrophobicContact CD1-CE1 3.47Å; F31-F33 VanDerWaalsContact CD1-CE1 3.47Å; F31-F33 AromaticContact CD1-CZ 3.53Å; F31-F33 HydrophobicContact CD1-CZ 3.53Å; F31-F33 HydrophobicContact CE1-CE1 4.37Å; F31-F33 HydrophobicContact CE1-CZ 4.28Å; F31-F33 HydrophobicContact CG-CE1 4.06Å; F31-F33 AromaticContact CG-CZ 3.89Å; F31-F33 HydrophobicContact CG-CZ 3.89Å; F31-F33 PolarHBondContact O-N 3.19Å; F31-F33 VanDerWaalsContact O-N 3.17Å; F31-L34 HydrophobicContact CB-CD1 4.02Å; F31-L34 HydrophobicContact CB-CG 4.19Å; F31-L34 HydrophobicContact CD2-CD1 4.31Å; F31-L34 HydrophobicContact CG-CD1 4.45Å; F31-L34 PolarHBondContact O-N 3.18Å
32P73.4Confident82.3Confident130 Ų13076.7 Ų76.784%0.84440%0.404SS*.THydrogen-bonded Turntrans-71.4-9.5-177.528.8-35000113.8D30D30-P32 WeakPolarHBondContact O-CD 3.42Å
33F81.4Confident82.8Confident135 Ų13568.2 Ų68.259%0.59238%0.376SS*.THydrogen-bonded Turntrans-99.2-3.5-176.760-99000114.3M1 F31M1-F33 HydrophobicContact SD-CE2 4.39Å; F31-F33 HydrophobicContact CB-CD1 4.36Å; F31-F33 HydrophobicContact CB-CE1 3.95Å; F31-F33 HydrophobicContact CB-CE2 4.4Å; F31-F33 HydrophobicContact CB-CZ 3.96Å; F31-F33 AromaticContact CD1-CE1 3.47Å; F31-F33 HydrophobicContact CD1-CE1 3.47Å; F31-F33 VanDerWaalsContact CD1-CE1 3.47Å; F31-F33 AromaticContact CD1-CZ 3.53Å; F31-F33 HydrophobicContact CD1-CZ 3.53Å; F31-F33 HydrophobicContact CE1-CE1 4.37Å; F31-F33 HydrophobicContact CE1-CZ 4.28Å; F31-F33 HydrophobicContact CG-CE1 4.06Å; F31-F33 AromaticContact CG-CZ 3.89Å; F31-F33 HydrophobicContact CG-CZ 3.89Å; F31-F33 PolarHBondContact O-N 3.19Å; F31-F33 VanDerWaalsContact O-N 3.17Å
34L82.9Confident83.4Confident22 Ų2271.5 Ų71.512%0.11538%0.38CS..SBendtrans-98.4131.7176.9-66.5177000110.9M1 F31 L42M1-L34 HydrophobicContact CE-CD2 3.74Å; M1-L34 HydrophobicContact SD-CD1 3.85Å; M1-L34 HydrophobicContact SD-CD2 3.71Å; M1-L34 HydrophobicContact SD-CG 4.3Å; F31-L34 HydrophobicContact CB-CD1 4.02Å; F31-L34 HydrophobicContact CB-CG 4.19Å; F31-L34 HydrophobicContact CD2-CD1 4.31Å; F31-L34 HydrophobicContact CG-CD1 4.45Å; F31-L34 PolarHBondContact O-N 3.18Å; L34-L42 HydrophobicContact CD1-CD1 3.85Å
35H85.6Confident83.6Confident114 Ų11471.5 Ų71.553%0.52838%0.38SS..  trans-68.2144171.1-168.8-93.4000109.6S37 E38 T39H35-S37 PolarHBondContact CE1-OG 3.33Å; H35-S37 VanDerWaalsContact CE1-OG 3.31Å; H35-S37 WeakPolarHBondContact ND1-CB 3.38Å; H35-S37 PolarHBondContact ND1-N 2.93Å; H35-S37 PolarHBondContact ND1-OG 3.13Å; H35-S37 VanDerWaalsContact ND1-OG 3.09Å; H35-S37 PolarHBondContact O-N 3.49Å; H35-E38 HydrophobicContact CB-CG 4.15Å; H35-E38 PolarHBondContact N-OE2 3.18Å; H35-E38 WeakPolarHBondContact O-CB 3.37Å; H35-E38 PolarHBondContact O-N 3.19Å; H35-T39 PolarHBondContact O-N 3.18Å; H35-T39 VanDerWaalsContact O-N 3.14Å
36P85.9Confident83.7Confident98 Ų9871.2 Ų71.264%0.63638%0.379SS*.Hα-helixtrans-51.5-32.6178.5-30.235.8000114.5S40P36-S40 PolarHBondContact O-N 3.19Å
37S86.3Confident84Confident73 Ų7376 Ų7651%0.5139%0.394SS..Hα-helixtrans-67.1-38.3174.8-500000113.3H35 S40 V41H35-S37 PolarHBondContact CE1-OG 3.33Å; H35-S37 VanDerWaalsContact CE1-OG 3.31Å; H35-S37 WeakPolarHBondContact ND1-CB 3.38Å; H35-S37 PolarHBondContact ND1-N 2.93Å; H35-S37 PolarHBondContact ND1-OG 3.13Å; H35-S37 VanDerWaalsContact ND1-OG 3.09Å; H35-S37 PolarHBondContact O-N 3.49Å; S37-S40 WeakPolarHBondContact O-CB 3.42Å; S37-S40 PolarHBondContact O-N 3.5Å; S37-V41 WeakPolarHBondContact O-CG2 3.23Å; S37-V41 PolarHBondContact O-N 3.48Å
38E86.9Confident84.3Confident81 Ų8175.8 Ų75.838%0.37939%0.392SS..Hα-helixtrans-67.6-42.2176.5-64.4174.5132.900110.1H35 S40 V41 L42 I119H35-E38 HydrophobicContact CB-CG 4.15Å; H35-E38 PolarHBondContact N-OE2 3.18Å; H35-E38 WeakPolarHBondContact O-CB 3.37Å; H35-E38 PolarHBondContact O-N 3.19Å; E38-S40 PolarHBondContact O-N 2.94Å; E38-V41 PolarHBondContact O-N 2.94Å; E38-V41 VanDerWaalsContact O-N 3.09Å; E38-L42 WeakPolarHBondContact O-CG 3.5Å; E38-L42 PolarHBondContact O-N 3.22Å; E38-I119 HydrophobicContact CB-CD1 4.27Å
39T87.4Confident84.8Confident36 Ų3673.8 Ų73.822%0.22138%0.378CS..Hα-helixtrans-58.2-38.4172.6-54.10000111.7H35 N43H35-T39 PolarHBondContact O-N 3.18Å; H35-T39 VanDerWaalsContact O-N 3.14Å; T39-N43 WeakPolarHBondContact O-CB 3.33Å; T39-N43 PolarHBondContact O-N 3Å; T39-N43 PolarHBondContact O-ND2 3.08Å
40S88.2Confident86.1Confident80 Ų8065.7 Ų65.756%0.55934%0.341SS*.Hα-helixtrans-65.6-40174.7-171.20000112.8P36 S37 E38 R44P36-S40 PolarHBondContact O-N 3.19Å; S37-S40 WeakPolarHBondContact O-CB 3.42Å; S37-S40 PolarHBondContact O-N 3.5Å; E38-S40 PolarHBondContact O-N 2.94Å; S40-R44 PolarHBondContact O-N 3.27Å; S40-R44 VanDerWaalsContact O-N 3.07Å
41V89.6Confident87.4Confident45 Ų4560.3 Ų60.327%0.27331%0.312SS..Hα-helixtrans-67.8-43.9176.3173.60000110.7S37 E38 N43 R44 L45 I119 N123S37-V41 WeakPolarHBondContact O-CG2 3.23Å; S37-V41 PolarHBondContact O-N 3.48Å; E38-V41 PolarHBondContact O-N 2.94Å; E38-V41 VanDerWaalsContact O-N 3.09Å; V41-N43 VanDerWaalsContact C-N 3.33Å; V41-N43 PolarHBondContact O-N 3.01Å; V41-R44 WeakPolarHBondContact O-CA 3.37Å; V41-R44 WeakPolarHBondContact O-CB 3.37Å; V41-R44 PolarHBondContact O-N 3.23Å; V41-R44 VanDerWaalsContact O-N 3.08Å; V41-L45 HydrophobicContact CG1-CD1 4.35Å; V41-L45 PolarHBondContact O-N 3.28Å; V41-I119 HydrophobicContact CG1-CG2 3.98Å; V41-N123 HydrophobicContact CG1-CB 3.81Å
42L89.9Confident88.4Confident0 Ų058.8 Ų58.80%031%0.305CS..Hα-helixtrans-60.1-42.9175.6-68.8173000111.3M1 L5 F17 V27 L34 E38 R44 L45 C46 I119M1-L42 HydrophobicContact CE-CD1 4.26Å; M1-L42 HydrophobicContact SD-CD1 4.13Å; L5-L42 HydrophobicContact CD1-CD2 4.04Å; L5-L42 HydrophobicContact CD2-CD2 3.77Å; L5-L42 HydrophobicContact CG-CD2 4.47Å; F17-L42 HydrophobicContact CE1-CB 4.46Å; F17-L42 HydrophobicContact CE1-CD2 4.3Å; F17-L42 HydrophobicContact CZ-CD2 4.14Å; V27-L42 HydrophobicContact CG1-CD1 4.43Å; V27-L42 HydrophobicContact CG2-CB 3.64Å; L34-L42 HydrophobicContact CD1-CD1 3.85Å; E38-L42 WeakPolarHBondContact O-CG 3.5Å; E38-L42 PolarHBondContact O-N 3.22Å; L42-R44 VanDerWaalsContact C-N 3.31Å; L42-R44 PolarHBondContact O-N 3.42Å; L42-L45 CarbonylContact O-C 3.35Å; L42-L45 PolarHBondContact O-N 3.03Å; L42-C46 PolarHBondContact O-N 3.49Å; L42-C46 PolarHBondContact O-SG 3.28Å; L42-I119 HydrophobicContact CD1-CD1 4.44Å; L42-I119 HydrophobicContact CD2-CD1 4.29Å; L42-I119 HydrophobicContact CD2-CG2 3.83Å; L42-I119 HydrophobicContact CG-CD1 4.42Å; L42-I119 HydrophobicContact CG-CG2 4.35Å
43N88.6Confident89.3Confident56 Ų5653.4 Ų53.430%0.29927%0.269SS..Hα-helixtrans-63.1-34.8174-79.3-46.2000113T39 V41 C46 R47T39-N43 WeakPolarHBondContact O-CB 3.33Å; T39-N43 PolarHBondContact O-N 3Å; T39-N43 PolarHBondContact O-ND2 3.08Å; V41-N43 VanDerWaalsContact C-N 3.33Å; V41-N43 PolarHBondContact O-N 3.01Å; N43-C46 PolarHBondContact O-N 3.29Å; N43-R47 PolarHBondContact O-N 3.39Å
44R89.9Confident89.9Confident122 Ų12250.5 Ų50.546%0.4625%0.254SS..Hα-helixtrans-65.1-43.8173178.8176.8172.1172.6-8.3111.1S40 V41 L42 C46 R47 D127S40-R44 PolarHBondContact O-N 3.27Å; S40-R44 VanDerWaalsContact O-N 3.07Å; V41-R44 WeakPolarHBondContact O-CA 3.37Å; V41-R44 WeakPolarHBondContact O-CB 3.37Å; V41-R44 PolarHBondContact O-N 3.23Å; V41-R44 VanDerWaalsContact O-N 3.08Å; L42-R44 VanDerWaalsContact C-N 3.31Å; L42-R44 PolarHBondContact O-N 3.42Å; R44-C46 VanDerWaalsContact C-N 3.35Å; R44-R47 WeakPolarHBondContact O-CB 3.39Å; R44-R47 PolarHBondContact O-N 3.43Å; R44-D127 IonicContact NH2-OD1 3.86Å; R44-D127 PolarHBondContact NH2-OD1 2.94Å
45L91.6Very high90.5Very high0 Ų049.5 Ų49.50%025%0.249CC..Hα-helixtrans-64.6-37.2174-71173.7000112.3L5 L9 V41 L42 R47 L48 G49 I119 V122 N123 L126L5-L45 HydrophobicContact CD1-CB 4.34Å; L5-L45 HydrophobicContact CD1-CD1 4.42Å; L5-L45 HydrophobicContact CD2-CD1 4Å; L9-L45 HydrophobicContact CD2-CB 4.37Å; L9-L45 VanDerWaalsContact CD2-O 3.27Å; L9-L45 WeakPolarHBondContact CD2-O 3.45Å; V41-L45 HydrophobicContact CG1-CD1 4.35Å; V41-L45 PolarHBondContact O-N 3.28Å; L42-L45 CarbonylContact O-C 3.35Å; L42-L45 PolarHBondContact O-N 3.03Å; L45-R47 VanDerWaalsContact C-N 3.27Å; L45-R47 PolarHBondContact O-N 3.2Å; L45-L48 VanDerWaalsContact O-CB 3.28Å; L45-L48 WeakPolarHBondContact O-CB 3.43Å; L45-L48 PolarHBondContact O-N 3.31Å; L45-G49 PolarHBondContact O-N 3.27Å; L45-G49 VanDerWaalsContact O-N 3.09Å; L45-I119 HydrophobicContact CD1-CG2 4.38Å; L45-V122 HydrophobicContact CD1-CG1 4.25Å; L45-N123 HydrophobicContact CD1-CB 4.36Å; L45-L126 HydrophobicContact CD2-CB 4.41Å; L45-L126 HydrophobicContact CD2-CD1 4.16Å
46C90.7Very high90.8Very high1 Ų145.7 Ų45.71%0.00723%0.232CC..Hα-helixtrans-63.5-31.3176.5-70.40000113.2F17 L25 L42 N43 R44 L48 G49 T50F17-C46 VanDerWaalsContact CD1-SG 3.53Å; L25-C46 HydrophobicContact CB-CB 4.05Å; L25-C46 HydrophobicContact CD2-CB 4.09Å; L25-C46 HydrophobicContact CG-CB 4.21Å; L25-C46 WeakPolarHBondContact O-CB 3.5Å; L42-C46 PolarHBondContact O-N 3.49Å; L42-C46 PolarHBondContact O-SG 3.28Å; N43-C46 PolarHBondContact O-N 3.29Å; R44-C46 VanDerWaalsContact C-N 3.35Å; C46-L48 VanDerWaalsContact C-N 3.32Å; C46-G49 PolarHBondContact O-N 3.45Å; C46-T50 WeakPolarHBondContact O-CB 3.38Å; C46-T50 PolarHBondContact O-N 2.8Å; C46-T50 PolarHBondContact O-OG1 3.1Å
47R91.1Very high91.1Very high183 Ų18345.7 Ų45.769%0.69122%0.224SC*.Hα-helixtrans-62.4-41.4172-67.7175.7-173.7176.81.5111.3N43 R44 L45 T50 D51N43-R47 PolarHBondContact O-N 3.39Å; R44-R47 WeakPolarHBondContact O-CB 3.39Å; R44-R47 PolarHBondContact O-N 3.43Å; L45-R47 VanDerWaalsContact C-N 3.27Å; L45-R47 PolarHBondContact O-N 3.2Å; R47-T50 WeakPolarHBondContact O-CB 3.47Å; R47-T50 PolarHBondContact O-N 3.19Å; R47-T50 VanDerWaalsContact O-N 3.15Å; R47-D51 PolarHBondContact O-N 2.92Å
48L92.8Very high91.4Very high5 Ų542.3 Ų42.33%0.02620%0.199CC..Hα-helixtrans-61.5-46.6176-170.771.5000111.7L45 C46 T50 D51 Y52 Y100 L126 F129 Q130 F133L45-L48 VanDerWaalsContact O-CB 3.28Å; L45-L48 WeakPolarHBondContact O-CB 3.43Å; L45-L48 PolarHBondContact O-N 3.31Å; C46-L48 VanDerWaalsContact C-N 3.32Å; L48-T50 VanDerWaalsContact C-N 3.27Å; L48-T50 PolarHBondContact O-N 3.33Å; L48-D51 PolarHBondContact O-N 3.33Å; L48-Y52 PolarHBondContact O-N 2.95Å; L48-Y100 HydrophobicContact CD2-CD2 4.46Å; L48-Y100 HydrophobicContact CD2-CE2 3.68Å; L48-Y100 HydrophobicContact CG-CE2 4.12Å; L48-L126 HydrophobicContact CD2-CB 4.01Å; L48-L126 HydrophobicContact CD2-CD1 4.29Å; L48-F129 HydrophobicContact CD1-CB 3.81Å; L48-F129 WeakPolarHBondContact CD1-O 3.41Å; L48-F129 HydrophobicContact CD2-CB 4.17Å; L48-Q130 HydrophobicContact CD1-CG 4.46Å; L48-Q130 HydrophobicContact CD2-CG 4.39Å; L48-F133 HydrophobicContact CD1-CB 3.96Å; L48-F133 HydrophobicContact CD1-CD1 4.45Å; L48-F133 HydrophobicContact CD1-CD2 3.27Å; L48-F133 HydrophobicContact CD1-CE2 3.78Å; L48-F133 HydrophobicContact CD1-CG 3.65Å; L48-F133 HydrophobicContact CG-CD2 3.98Å; L48-F133 HydrophobicContact CG-CE2 4.13Å
49G91.8Very high91.7Very high0 Ų039.1 Ų39.10%019%0.185CC..Hα-helixtrans-62.6-33.4174.100000113L45 C46 Y52 I53L45-G49 PolarHBondContact O-N 3.27Å; L45-G49 VanDerWaalsContact O-N 3.09Å; C46-G49 PolarHBondContact O-N 3.45Å; G49-Y52 PolarHBondContact O-N 3.45Å; G49-I53 VanDerWaalsContact O-CG1 3.32Å; G49-I53 WeakPolarHBondContact O-CG1 3.46Å; G49-I53 PolarHBondContact O-N 3.18Å
50T93.8Very high91.9Very high9 Ų943.6 Ų43.66%0.05520%0.203CC..Hα-helixtrans-64.9-46.5174.9-58.60000112W19 L25 C46 R47 L48 Y52 I53 R54W19-T50 HydrophobicContact CH2-CG2 4.05Å; W19-T50 HydrophobicContact CZ3-CG2 3.93Å; L25-T50 WeakPolarHBondContact CB-OG1 3.5Å; L25-T50 PolarHBondContact N-OG1 2.91Å; C46-T50 WeakPolarHBondContact O-CB 3.38Å; C46-T50 PolarHBondContact O-N 2.8Å; C46-T50 PolarHBondContact O-OG1 3.1Å; R47-T50 WeakPolarHBondContact O-CB 3.47Å; R47-T50 PolarHBondContact O-N 3.19Å; R47-T50 VanDerWaalsContact O-N 3.15Å; L48-T50 VanDerWaalsContact C-N 3.27Å; L48-T50 PolarHBondContact O-N 3.33Å; T50-Y52 VanDerWaalsContact C-N 3.3Å; T50-Y52 PolarHBondContact O-N 2.92Å; T50-I53 PolarHBondContact O-N 3.05Å; T50-R54 WeakPolarHBondContact O-CG 3.48Å; T50-R54 PolarHBondContact O-N 3.25Å; T50-R54 VanDerWaalsContact O-N 3.08Å
51D93.8Very high92Very high23 Ų2344.5 Ų44.512%0.12320%0.199CC..Hα-helixtrans-63.6-40.9177.4-68.9-22.6000110.6R47 L48 R54 F55 F133 M137R47-D51 PolarHBondContact O-N 2.92Å; L48-D51 PolarHBondContact O-N 3.33Å; D51-R54 PolarHBondContact O-N 3.5Å; D51-F55 HydrophobicContact CB-CE2 4.13Å; D51-F55 WeakPolarHBondContact O-CD2 3.28Å; D51-F55 VanDerWaalsContact O-CG 3.27Å; D51-F55 WeakPolarHBondContact O-CG 3.41Å; D51-F55 PolarHBondContact O-N 3.46Å; D51-F133 HydrophobicContact CB-CB 4.09Å; D51-F133 HydrophobicContact CB-CD2 4.09Å; D51-M137 HydrophobicContact CB-CE 3.87Å; D51-M137 WeakPolarHBondContact O-CE 3.43Å
52Y95Very high91.9Very high21 Ų2143.9 Ų43.98%0.08219%0.192CC..Hα-helixtrans-58.1-51.3174.9-175.8-108.7000112.6S10 L48 G49 T50 R54 F55 I56 L97 Y100 R101 F133S10-Y52 WeakPolarHBondContact O-CE1 3.46Å; L48-Y52 PolarHBondContact O-N 2.95Å; G49-Y52 PolarHBondContact O-N 3.45Å; T50-Y52 VanDerWaalsContact C-N 3.3Å; T50-Y52 PolarHBondContact O-N 2.92Å; Y52-R54 VanDerWaalsContact C-N 3.29Å; Y52-R54 PolarHBondContact O-N 2.88Å; Y52-F55 PolarHBondContact O-N 2.75Å; Y52-F55 VanDerWaalsContact O-N 3.12Å; Y52-I56 HydrophobicContact CD1-CG1 4.35Å; Y52-I56 HydrophobicContact CE1-CD1 4.46Å; Y52-I56 HydrophobicContact CE1-CG1 3.94Å; Y52-I56 HydrophobicContact CE2-CD1 4.04Å; Y52-I56 HydrophobicContact CE2-CG1 4.16Å; Y52-I56 WeakPolarHBondContact O-CG1 3.42Å; Y52-I56 PolarHBondContact O-N 2.92Å; Y52-L97 HydrophobicContact CD2-CD1 4.37Å; Y52-L97 HydrophobicContact CD2-CD2 4.32Å; Y52-L97 HydrophobicContact CE2-CB 4.43Å; Y52-L97 HydrophobicContact CE2-CD1 4.21Å; Y52-Y100 HydrophobicContact CD1-CE1 4.09Å; Y52-Y100 AromaticContact CD2-CD1 3.58Å; Y52-Y100 HydrophobicContact CD2-CD1 3.58Å; Y52-Y100 AromaticContact CD2-CE1 3.45Å; Y52-Y100 HydrophobicContact CD2-CE1 3.45Å; Y52-Y100 VanDerWaalsContact CD2-CE1 3.45Å; Y52-Y100 HydrophobicContact CE1-CE1 4.42Å; Y52-Y100 AromaticContact CE2-CD1 3.7Å; Y52-Y100 HydrophobicContact CE2-CD1 3.7Å; Y52-Y100 AromaticContact CE2-CE1 3.83Å; Y52-Y100 HydrophobicContact CE2-CE1 3.83Å; Y52-Y100 HydrophobicContact CG-CD1 4.21Å; Y52-Y100 AromaticContact CG-CE1 3.6Å; Y52-Y100 HydrophobicContact CG-CE1 3.6Å; Y52-R101 HydrophobicContact CE2-CG 4.39Å; Y52-R101 PolarHBondContact OH-NE 3.45Å; Y52-F133 HydrophobicContact CD2-CE2 4.35Å
53I93Very high91.6Very high17 Ų1746.2 Ų46.29%0.08721%0.206CC..Hα-helixtrans-56.8-45.8177.7-68.8163.6000110.4W19 G49 T50 F55 I56 E57W19-I53 HydrophobicContact CD2-CD1 4.36Å; W19-I53 HydrophobicContact CE3-CD1 3.63Å; W19-I53 HydrophobicContact CH2-CB 3.83Å; W19-I53 HydrophobicContact CH2-CD1 4.03Å; W19-I53 HydrophobicContact CH2-CG2 3.57Å; W19-I53 HydrophobicContact CZ2-CB 4.46Å; W19-I53 HydrophobicContact CZ2-CG2 3.7Å; W19-I53 HydrophobicContact CZ3-CB 4.11Å; W19-I53 HydrophobicContact CZ3-CD1 3.45Å; W19-I53 VanDerWaalsContact CZ3-CD1 3.45Å; W19-I53 HydrophobicContact CZ3-CG1 4.38Å; W19-I53 HydrophobicContact CZ3-CG2 4.17Å; G49-I53 VanDerWaalsContact O-CG1 3.32Å; G49-I53 WeakPolarHBondContact O-CG1 3.46Å; G49-I53 PolarHBondContact O-N 3.18Å; T50-I53 PolarHBondContact O-N 3.05Å; I53-F55 VanDerWaalsContact C-N 3.32Å; I53-F55 PolarHBondContact O-N 3.09Å; I53-I56 PolarHBondContact O-N 3.31Å; I53-E57 HydrophobicContact CG2-CG 4.3Å; I53-E57 WeakPolarHBondContact O-CG 3.41Å; I53-E57 PolarHBondContact O-N 3.22Å
54R93Very high90.4Very high74 Ų7446.3 Ų46.328%0.27922%0.22SC..Hα-helixtrans-64.2-34.3178.7-73.1177.9-178.2179.51.5113.1T50 D51 Y52 F58 M137T50-R54 WeakPolarHBondContact O-CG 3.48Å; T50-R54 PolarHBondContact O-N 3.25Å; T50-R54 VanDerWaalsContact O-N 3.08Å; D51-R54 PolarHBondContact O-N 3.5Å; Y52-R54 VanDerWaalsContact C-N 3.29Å; Y52-R54 PolarHBondContact O-N 2.88Å; R54-F58 VanDerWaalsContact O-CB 3.3Å; R54-F58 WeakPolarHBondContact O-CB 3.47Å; R54-F58 PolarHBondContact O-N 3.22Å; R54-M137 HydrophobicContact CB-CE 3.63Å
55F95Very high88.9Confident1 Ų146.3 Ų46.30%0.00423%0.225CC..Hα-helixtrans-67.3-43.4173.3-67-45.9000111.7D51 Y52 I53 F58 I59 L93 L97 F133 V136 M137 V140D51-F55 HydrophobicContact CB-CE2 4.13Å; D51-F55 WeakPolarHBondContact O-CD2 3.28Å; D51-F55 VanDerWaalsContact O-CG 3.27Å; D51-F55 WeakPolarHBondContact O-CG 3.41Å; D51-F55 PolarHBondContact O-N 3.46Å; Y52-F55 PolarHBondContact O-N 2.75Å; Y52-F55 VanDerWaalsContact O-N 3.12Å; I53-F55 VanDerWaalsContact C-N 3.32Å; I53-F55 PolarHBondContact O-N 3.09Å; F55-F58 WeakPolarHBondContact O-CB 3.34Å; F55-F58 PolarHBondContact O-N 3.01Å; F55-I59 VanDerWaalsContact O-CG1 3.26Å; F55-I59 WeakPolarHBondContact O-CG1 3.38Å; F55-I59 PolarHBondContact O-N 3.27Å; F55-L93 HydrophobicContact CB-CD2 4.31Å; F55-L93 HydrophobicContact CD1-CD1 4.24Å; F55-L93 HydrophobicContact CD1-CD2 3.88Å; F55-L93 HydrophobicContact CE1-CD1 4.39Å; F55-L93 HydrophobicContact CG-CD2 4.37Å; F55-L97 HydrophobicContact CB-CD1 3.81Å; F55-L97 HydrophobicContact CD2-CD1 4.47Å; F55-L97 HydrophobicContact CD2-CD2 3.83Å; F55-L97 HydrophobicContact CE2-CD2 4.36Å; F55-L97 HydrophobicContact CG-CD1 4.45Å; F55-F133 HydrophobicContact CD2-CD2 4.48Å; F55-F133 HydrophobicContact CE2-CB 4.01Å; F55-F133 HydrophobicContact CE2-CD1 4.29Å; F55-F133 HydrophobicContact CE2-CD2 4.01Å; F55-F133 AromaticContact CE2-CG 3.85Å; F55-F133 HydrophobicContact CE2-CG 3.85Å; F55-F133 WeakPolarHBondContact CZ-O 3.42Å; F55-V136 HydrophobicContact CE1-CB 4.47Å; F55-V136 HydrophobicContact CE1-CG1 4Å; F55-V136 HydrophobicContact CZ-CB 4.04Å; F55-V136 HydrophobicContact CZ-CG1 3.99Å; F55-M137 HydrophobicContact CD1-CE 3.7Å; F55-M137 HydrophobicContact CD1-SD 4.42Å; F55-M137 HydrophobicContact CD2-CE 4.38Å; F55-M137 HydrophobicContact CE1-CB 4.12Å; F55-M137 HydrophobicContact CE1-CE 3.45Å; F55-M137 VanDerWaalsContact CE1-CE 3.45Å; F55-M137 HydrophobicContact CE1-SD 3.94Å; F55-M137 HydrophobicContact CE2-CE 4.16Å; F55-M137 HydrophobicContact CG-CE 4.17Å; F55-M137 HydrophobicContact CZ-CB 3.95Å; F55-M137 HydrophobicContact CZ-CE 3.7Å; F55-M137 HydrophobicContact CZ-SD 4.49Å; F55-V140 HydrophobicContact CD1-CG2 4.06Å; F55-V140 HydrophobicContact CE1-CG2 3.84Å
56I93.7Very high86.8Confident35 Ų3551.1 Ų51.118%0.17926%0.255CS..Hα-helixtrans-63.4-48177.1-61.8-58000110.7Y52 I53 F58 I59 E60 L97 R101Y52-I56 HydrophobicContact CD1-CG1 4.35Å; Y52-I56 HydrophobicContact CE1-CD1 4.46Å; Y52-I56 HydrophobicContact CE1-CG1 3.94Å; Y52-I56 HydrophobicContact CE2-CD1 4.04Å; Y52-I56 HydrophobicContact CE2-CG1 4.16Å; Y52-I56 WeakPolarHBondContact O-CG1 3.42Å; Y52-I56 PolarHBondContact O-N 2.92Å; I53-I56 PolarHBondContact O-N 3.31Å; I56-F58 PolarHBondContact O-N 3.45Å; I56-I59 PolarHBondContact O-N 3.02Å; I56-I59 VanDerWaalsContact O-N 3.1Å; I56-E60 HydrophobicContact CG2-CG 4.12Å; I56-E60 WeakPolarHBondContact CG2-OE1 3.27Å; I56-E60 WeakPolarHBondContact O-CB 3.33Å; I56-E60 WeakPolarHBondContact O-CG 3.45Å; I56-E60 PolarHBondContact O-N 2.95Å; I56-L97 HydrophobicContact CD1-CD1 4.24Å; I56-R101 VanDerWaalsContact CD1-NH2 3.28Å
57E91.4Very high84.4Confident98 Ų9860.2 Ų60.246%0.45830%0.297SS..Hα-helixtrans-54.2-42.1174.7-74.2178167.900111.3I53 Q61I53-E57 HydrophobicContact CG2-CG 4.3Å; I53-E57 WeakPolarHBondContact O-CG 3.41Å; I53-E57 PolarHBondContact O-N 3.22Å; E57-Q61 VanDerWaalsContact O-CB 3.24Å; E57-Q61 WeakPolarHBondContact O-CB 3.25Å; E57-Q61 PolarHBondContact O-N 3.12Å; E57-Q61 VanDerWaalsContact O-N 3.08Å
58F92.4Very high81.9Confident1 Ų160.3 Ų60.30%0.00431%0.305CS..Hα-helixtrans-67-44.6176.9-177.8-103.3000112.8R54 F55 I56 Y62 L86 F89 C90 L93 V140 K144R54-F58 VanDerWaalsContact O-CB 3.3Å; R54-F58 WeakPolarHBondContact O-CB 3.47Å; R54-F58 PolarHBondContact O-N 3.22Å; F55-F58 WeakPolarHBondContact O-CB 3.34Å; F55-F58 PolarHBondContact O-N 3.01Å; I56-F58 PolarHBondContact O-N 3.45Å; F58-Y62 AromaticContact CD2-CD2 3.66Å; F58-Y62 HydrophobicContact CD2-CD2 3.66Å; F58-Y62 AromaticContact CD2-CE2 3.42Å; F58-Y62 HydrophobicContact CD2-CE2 3.42Å; F58-Y62 VanDerWaalsContact CD2-CE2 3.42Å; F58-Y62 HydrophobicContact CE1-CD2 4.43Å; F58-Y62 AromaticContact CE2-CD2 3.56Å; F58-Y62 HydrophobicContact CE2-CD2 3.56Å; F58-Y62 AromaticContact CE2-CE2 3.29Å; F58-Y62 HydrophobicContact CE2-CE2 3.29Å; F58-Y62 HydrophobicContact CG-CD2 4.24Å; F58-Y62 HydrophobicContact CG-CE2 4.39Å; F58-Y62 AromaticContact CZ-CD2 3.97Å; F58-Y62 HydrophobicContact CZ-CD2 3.97Å; F58-Y62 HydrophobicContact CZ-CE2 4.12Å; F58-Y62 WeakPolarHBondContact O-CD2 3.5Å; F58-Y62 PolarHBondContact O-N 3.43Å; F58-L86 HydrophobicContact CZ-CD1 3.84Å; F58-F89 AromaticContact CE1-CD1 3.79Å; F58-F89 HydrophobicContact CE1-CD1 3.79Å; F58-F89 AromaticContact CE1-CE1 3.63Å; F58-F89 HydrophobicContact CE1-CE1 3.63Å; F58-F89 HydrophobicContact CZ-CD1 4.39Å; F58-F89 HydrophobicContact CZ-CE1 4.27Å; F58-C90 VanDerWaalsContact CE1-SG 3.54Å; F58-L93 HydrophobicContact CD1-CD2 4.12Å; F58-V140 HydrophobicContact CB-CG1 4.48Å; F58-V140 HydrophobicContact CD1-CG1 4.07Å; F58-V140 HydrophobicContact CD2-CG1 3.96Å; F58-V140 HydrophobicContact CE1-CG1 4.25Å; F58-V140 HydrophobicContact CE2-CG1 4.09Å; F58-V140 HydrophobicContact CG-CG1 3.9Å; F58-V140 HydrophobicContact CZ-CG1 4.23Å; F58-K144 HydrophobicContact CD2-CD 4.34Å; F58-K144 HydrophobicContact CD2-CG 4.39Å; F58-K144 HydrophobicContact CE2-CD 4.42Å; F58-K144 HydrophobicContact CE2-CG 3.98Å
59I93.6Very high79.4Confident15 Ų1567.2 Ų67.28%0.07734%0.337CS..Hα-helixtrans-63.1-49.8178.8-70.2161.8000110F55 I56 Q61 Y62 T63 C90 L93 D94 L97F55-I59 VanDerWaalsContact O-CG1 3.26Å; F55-I59 WeakPolarHBondContact O-CG1 3.38Å; F55-I59 PolarHBondContact O-N 3.27Å; I56-I59 PolarHBondContact O-N 3.02Å; I56-I59 VanDerWaalsContact O-N 3.1Å; I59-Q61 VanDerWaalsContact C-N 3.32Å; I59-Q61 PolarHBondContact O-N 2.98Å; I59-Y62 PolarHBondContact O-N 3.18Å; I59-T63 HydrophobicContact CG2-CG2 4.09Å; I59-T63 WeakPolarHBondContact O-CB 3.47Å; I59-T63 WeakPolarHBondContact O-CG2 3.43Å; I59-T63 PolarHBondContact O-N 2.98Å; I59-T63 PolarHBondContact O-OG1 2.91Å; I59-C90 HydrophobicContact CG1-CB 4.25Å; I59-C90 HydrophobicContact CG2-CB 4.48Å; I59-L93 HydrophobicContact CD1-CB 4.46Å; I59-L93 HydrophobicContact CD1-CD2 4.15Å; I59-L93 HydrophobicContact CD1-CG 4.1Å; I59-L93 HydrophobicContact CG1-CD2 4.07Å; I59-L93 HydrophobicContact CG1-CG 4.44Å; I59-D94 HydrophobicContact CD1-CB 4.02Å; I59-L97 HydrophobicContact CD1-CD1 3.89Å
60E90.9Very high76.7Confident130 Ų13074.6 Ų74.661%0.60738%0.377SS*.Hα-helixtrans-60-42.5-179.2-72.3-179.2172.100111.6I56 Y62 G64I56-E60 HydrophobicContact CG2-CG 4.12Å; I56-E60 WeakPolarHBondContact CG2-OE1 3.27Å; I56-E60 WeakPolarHBondContact O-CB 3.33Å; I56-E60 WeakPolarHBondContact O-CG 3.45Å; I56-E60 PolarHBondContact O-N 2.95Å; E60-Y62 VanDerWaalsContact C-N 3.3Å; E60-Y62 PolarHBondContact O-N 2.86Å; E60-G64 PolarHBondContact O-N 3.45Å
61Q90.3Very high73.9Confident99 Ų9982 Ų8246%0.46341%0.411SS..Hα-helixtrans-59.3-39.1179.5-176.8174.74.400112.6E57 I59 H65E57-Q61 VanDerWaalsContact O-CB 3.24Å; E57-Q61 WeakPolarHBondContact O-CB 3.25Å; E57-Q61 PolarHBondContact O-N 3.12Å; E57-Q61 VanDerWaalsContact O-N 3.08Å; I59-Q61 VanDerWaalsContact C-N 3.32Å; I59-Q61 PolarHBondContact O-N 2.98Å; Q61-H65 PolarHBondContact O-CD2 3.08Å
62Y88.1Confident70.9Confident31 Ų3188.8 Ų88.812%0.12244%0.441CS..Hα-helixtrans-104.8-10.2-172.8-62-64.7000114.7F58 I59 E60 L81 L86 R87F58-Y62 AromaticContact CD2-CD2 3.66Å; F58-Y62 HydrophobicContact CD2-CD2 3.66Å; F58-Y62 AromaticContact CD2-CE2 3.42Å; F58-Y62 HydrophobicContact CD2-CE2 3.42Å; F58-Y62 VanDerWaalsContact CD2-CE2 3.42Å; F58-Y62 HydrophobicContact CE1-CD2 4.43Å; F58-Y62 AromaticContact CE2-CD2 3.56Å; F58-Y62 HydrophobicContact CE2-CD2 3.56Å; F58-Y62 AromaticContact CE2-CE2 3.29Å; F58-Y62 HydrophobicContact CE2-CE2 3.29Å; F58-Y62 HydrophobicContact CG-CD2 4.24Å; F58-Y62 HydrophobicContact CG-CE2 4.39Å; F58-Y62 AromaticContact CZ-CD2 3.97Å; F58-Y62 HydrophobicContact CZ-CD2 3.97Å; F58-Y62 HydrophobicContact CZ-CE2 4.12Å; F58-Y62 WeakPolarHBondContact O-CD2 3.5Å; F58-Y62 PolarHBondContact O-N 3.43Å; I59-Y62 PolarHBondContact O-N 3.18Å; E60-Y62 VanDerWaalsContact C-N 3.3Å; E60-Y62 PolarHBondContact O-N 2.86Å; Y62-L81 HydrophobicContact CE1-CB 3.68Å; Y62-L81 WeakPolarHBondContact CE1-O 3.25Å; Y62-L81 HydrophobicContact CE2-CD1 4.47Å; Y62-L86 HydrophobicContact CD1-CD2 3.43Å; Y62-L86 VanDerWaalsContact CD1-CD2 3.43Å; Y62-L86 HydrophobicContact CD1-CG 4.39Å; Y62-L86 HydrophobicContact CD2-CD2 4.2Å; Y62-L86 HydrophobicContact CE1-CD2 3.89Å; Y62-L86 HydrophobicContact CG-CD2 3.62Å; Y62-L86 HydrophobicContact CG-CG 4.11Å; Y62-R87 WeakPolarHBondContact O-CG 3.43Å
63T83.9Confident68.1Low49 Ų4994 Ų9430%0.30148%0.477SS..Hα-helixtrans-101.7-26174.861.30000113.5I59 H65 C90I59-T63 HydrophobicContact CG2-CG2 4.09Å; I59-T63 WeakPolarHBondContact O-CB 3.47Å; I59-T63 WeakPolarHBondContact O-CG2 3.43Å; I59-T63 PolarHBondContact O-N 2.98Å; I59-T63 PolarHBondContact O-OG1 2.91Å; T63-H65 PolarHBondContact O-N 2.92Å; T63-C90 HydrophobicContact CG2-CB 3.59Å
64G63.7Low65.3Low58 Ų5897.5 Ų97.560%0.59850%0.504SS*.G310 helixtrans-75-14.9-174.100000116.8E60 V66E60-G64 PolarHBondContact O-N 3.45Å; G64-V66 PolarHBondContact O-N 3.06Å
65H57.2Low62.6Low122 Ų122102.2 Ų102.257%0.56553%0.529SS*.G310 helixtrans-74.516.2-174.5-78.4-62.9000116Q61 T63Q61-H65 PolarHBondContact O-CD2 3.08Å; T63-H65 PolarHBondContact O-N 2.92Å
66V47.1Very low59.9Low102 Ų102111.8 Ų111.862%0.61857%0.574SS**G310 helixtrans-78.6-16.2-174.7177.40000113.6G64G64-V66 PolarHBondContact O-N 3.06Å
67Q41.5Very low57Low192 Ų192113.5 Ų113.590%0.89760%0.6SS**G310 helixtrans-101.9-2.3-171.4-82.2178.9-1500117.7
68Q38.7Very low54.5Low185 Ų185117.1 Ų117.186%0.86462%0.617SS**SBendtrans-123.33.7-175-82.8-176.4-3.100116.6
69Q39Very low52.6Low150 Ų150120.2 Ų120.270%0.70165%0.649SS**  trans-99.912.9-174.5-96.7-176.50.600116.2
70D35.7Very low51.4Low154 Ų154121.6 Ų121.682%0.82467%0.667SS**SBendtrans-81.7-11.1176.8-86.3-32.3000114.9
71H34.4Very low50.9Low166 Ų166116.5 Ų116.577%0.76964%0.644SS**SBendtrans-143.889177.3-74.4-24.4000111.5
72H30.9Very low50.7Low164 Ų164116.2 Ų116.276%0.75964%0.642SS**  trans161.4111.9139.5-85.9-61000111.2S74H72-S74 VanDerWaalsContact C-N 3.26Å; H72-S74 PolarHBondContact O-N 2.89Å
73P36.9Very low50.7Low130 Ų130115 Ų11584%0.84464%0.639SS**  trans-83.223.2-17733.3-34.7000114.7
74S33Very low51.2Low92 Ų92115.4 Ų115.464%0.64364%0.639SS**  trans-114.517.1-166.2530000116.7H72H72-S74 VanDerWaalsContact C-N 3.26Å; H72-S74 PolarHBondContact O-N 2.89Å
75Q37.5Very low52.7Low172 Ų172112.7 Ų112.780%0.80461%0.61SS**  trans-131.552.3172.2-67.1-17010.500113.1G77Q75-G77 PolarHBondContact O-N 3.32Å
76Q37.8Very low54.4Low203 Ų203107 Ų10795%0.94958%0.584SS**  trans-77.769.2163.3-77.1-179.8-17.300110.1
77G32.5Very low56.7Low71 Ų71106 Ų10673%0.73257%0.569SS**  trans-158.619.1-172.300000116.8Q75Q75-G77 PolarHBondContact O-N 3.32Å
78Q40.2Very low59.2Low173 Ų17397.2 Ų97.281%0.80853%0.53SS*.  trans-116.6104.5167.6-69.8-169.82.300109.4G80Q78-G80 PolarHBondContact O-N 3.29Å
79G52Low62Low66 Ų6688.4 Ų88.468%0.6849%0.489SS*.  trans-69.452.8-178.500000114.8K147G79-K147 PolarHBondContact O-NZ 3.29Å
80G67.4Low64.7Low44 Ų4481.3 Ų81.345%0.45446%0.455SS..  trans-98163171.700000112.4Q78 H82Q78-G80 PolarHBondContact O-N 3.29Å; G80-H82 PolarHBondContact O-N 3.32Å; G80-H82 PolarHBondContact O-ND1 3.39Å
81L81.4Confident67.5Low23 Ų2377.8 Ų77.812%0.1244%0.439CS..  trans-57.2132.8172.5-72.5174.4000110.6Y62 L86 I143 K144 K147 I148Y62-L81 HydrophobicContact CE1-CB 3.68Å; Y62-L81 WeakPolarHBondContact CE1-O 3.25Å; Y62-L81 HydrophobicContact CE2-CD1 4.47Å; L81-L86 HydrophobicContact CB-CD2 3.7Å; L81-I143 HydrophobicContact CD1-CG2 4.11Å; L81-I143 HydrophobicContact CD2-CG2 4.48Å; L81-K144 HydrophobicContact CD1-CG 4.28Å; L81-K147 HydrophobicContact CD2-CB 4.36Å; L81-I148 WeakPolarHBondContact CD2-O 3.34Å
82H85.2Confident70.4Confident94 Ų9469.9 Ų69.944%0.43540%0.403SS..  trans-155.4168.4176.362.5-78.9000109.3G80 H149 H200G80-H82 PolarHBondContact O-N 3.32Å; G80-H82 PolarHBondContact O-ND1 3.39Å; H82-H149 AromaticContact NE2-CE1 3.95Å; H82-H149 PolarHBondContact O-CE1 3.14Å; H82-H149 PolarHBondContact O-ND1 3.35Å; H82-H200 AromaticContact CD2-CG 3.93Å; H82-H200 AromaticContact CD2-ND1 3.53Å; H82-H200 AromaticContact NE2-ND1 4Å
83G89.6Confident73.5Confident5 Ų562.1 Ų62.15%0.05237%0.367CS..SBendtrans128.5162.9175.200000115.1R87 E202G83-R87 WeakPolarHBondContact O-CG 3.33Å; G83-R87 PolarHBondContact O-N 3.09Å; G83-E202 WeakPolarHBondContact CA-OE1 3.4Å; G83-E202 WeakPolarHBondContact CA-OE2 3.38Å
84I92.9Very high76.3Confident58 Ų5858.8 Ų58.830%0.29734%0.342SS..Hα-helixtrans-73.4-29.6-179.962.2174.3000112.3A88 V182 E202I84-A88 PolarHBondContact O-N 2.87Å; I84-V182 HydrophobicContact CB-CG1 4.35Å; I84-V182 HydrophobicContact CD1-CG1 3.42Å; I84-V182 VanDerWaalsContact CD1-CG1 3.42Å; I84-V182 HydrophobicContact CG1-CG1 3.72Å; I84-E202 WeakPolarHBondContact CG1-OE2 3.45Å; I84-E202 VanDerWaalsContact N-CD 3.3Å; I84-E202 PolarHBondContact N-OE1 3.06Å; I84-E202 PolarHBondContact N-OE2 2.66Å
85Y94.9Very high79.3Confident0 Ų057.8 Ų57.80%034%0.335CS..Hα-helixtrans-72-36.6176-76.7-85.6000111.8A88 F89 C151 L154 V182 M183 Q186 E202Y85-A88 PolarHBondContact O-N 3.06Å; Y85-F89 WeakPolarHBondContact O-CB 3.48Å; Y85-F89 PolarHBondContact O-N 2.96Å; Y85-C151 PolarHBondContact OH-SG 3.3Å; Y85-L154 HydrophobicContact CD1-CD1 4.31Å; Y85-L154 HydrophobicContact CD1-CD2 4.24Å; Y85-L154 HydrophobicContact CD1-CG 4.11Å; Y85-L154 HydrophobicContact CE1-CD1 3.76Å; Y85-L154 HydrophobicContact CE1-CD2 4.25Å; Y85-L154 HydrophobicContact CE1-CG 4.06Å; Y85-V182 HydrophobicContact CD1-CB 4.33Å; Y85-V182 HydrophobicContact CD1-CG1 4.38Å; Y85-V182 HydrophobicContact CD2-CG1 4.37Å; Y85-V182 HydrophobicContact CE1-CB 4.03Å; Y85-V182 HydrophobicContact CE1-CG1 4.07Å; Y85-V182 HydrophobicContact CE2-CG1 4.08Å; Y85-M183 HydrophobicContact CE1-CB 4.24Å; Y85-M183 VanDerWaalsContact OH-CA 3.28Å; Y85-M183 WeakPolarHBondContact OH-CA 3.38Å; Y85-Q186 VanDerWaalsContact CE2-OE1 3.28Å; Y85-Q186 PolarHBondContact OH-OE1 2.85Å; Y85-E202 HydrophobicContact CD2-CB 3.81Å; Y85-E202 HydrophobicContact CD2-CG 4.43Å; Y85-E202 WeakPolarHBondContact CD2-OE1 3.46Å; Y85-E202 HydrophobicContact CE2-CB 3.99Å; Y85-E202 PolarHBondContact N-OE1 3.13Å
86L94.7Very high82Confident3 Ų350.2 Ų50.22%0.01630%0.3CS..Hα-helixtrans-64.2-42.8174.6-177.164.2000111.4F58 Y62 L81 F89 C90 I143 I153F58-L86 HydrophobicContact CZ-CD1 3.84Å; Y62-L86 HydrophobicContact CD1-CD2 3.43Å; Y62-L86 VanDerWaalsContact CD1-CD2 3.43Å; Y62-L86 HydrophobicContact CD1-CG 4.39Å; Y62-L86 HydrophobicContact CD2-CD2 4.2Å; Y62-L86 HydrophobicContact CE1-CD2 3.89Å; Y62-L86 HydrophobicContact CG-CD2 3.62Å; Y62-L86 HydrophobicContact CG-CG 4.11Å; L81-L86 HydrophobicContact CB-CD2 3.7Å; L86-F89 WeakPolarHBondContact O-CB 3.29Å; L86-F89 PolarHBondContact O-N 3.15Å; L86-C90 PolarHBondContact O-N 3.24Å; L86-C90 PolarHBondContact O-SG 3.4Å; L86-C90 VanDerWaalsContact O-SG 3.38Å; L86-I143 HydrophobicContact CD1-CG2 4.13Å; L86-I153 HydrophobicContact CB-CD1 3.98Å; L86-I153 HydrophobicContact CD1-CD1 4.29Å
87R93.6Very high84.7Confident81 Ų8140.6 Ų40.631%0.30626%0.255SS..Hα-helixtrans-60-46.5174.2-73.7174.9-179.8174.44.4111.7Y62 G83 F89 C90 T91Y62-R87 WeakPolarHBondContact O-CG 3.43Å; G83-R87 WeakPolarHBondContact O-CG 3.33Å; G83-R87 PolarHBondContact O-N 3.09Å; R87-F89 VanDerWaalsContact C-N 3.3Å; R87-F89 PolarHBondContact O-N 3.14Å; R87-C90 PolarHBondContact O-N 2.81Å; R87-T91 PolarHBondContact O-N 2.99Å; R87-T91 PolarHBondContact O-OG1 3.32Å; R87-T91 VanDerWaalsContact O-OG1 3.13Å
88A94.9Very high87.7Confident8 Ų842 Ų427%0.06624%0.243CC..Hα-helixtrans-62.8-37.6176.900000112.4I84 Y85 T91 G92 V178 V182I84-A88 PolarHBondContact O-N 2.87Å; Y85-A88 PolarHBondContact O-N 3.06Å; A88-T91 PolarHBondContact O-N 2.98Å; A88-G92 PolarHBondContact O-N 2.73Å; A88-V178 HydrophobicContact CB-CG1 4.31Å; A88-V178 WeakPolarHBondContact O-CG1 3.2Å; A88-V182 HydrophobicContact CB-CG2 3.48Å; A88-V182 VanDerWaalsContact CB-CG2 3.48Å
89F96.8Very high90.3Very high0 Ų036.9 Ų36.90%023%0.225CC..Hα-helixtrans-60.9-45.9172.4175.4-91000111.4F58 Y85 L86 R87 T91 G92 L93 V139 V140 I143 I153 V157 I175F58-F89 AromaticContact CE1-CD1 3.79Å; F58-F89 HydrophobicContact CE1-CD1 3.79Å; F58-F89 AromaticContact CE1-CE1 3.63Å; F58-F89 HydrophobicContact CE1-CE1 3.63Å; F58-F89 HydrophobicContact CZ-CD1 4.39Å; F58-F89 HydrophobicContact CZ-CE1 4.27Å; Y85-F89 WeakPolarHBondContact O-CB 3.48Å; Y85-F89 PolarHBondContact O-N 2.96Å; L86-F89 WeakPolarHBondContact O-CB 3.29Å; L86-F89 PolarHBondContact O-N 3.15Å; R87-F89 VanDerWaalsContact C-N 3.3Å; R87-F89 PolarHBondContact O-N 3.14Å; F89-T91 VanDerWaalsContact C-N 3.35Å; F89-T91 PolarHBondContact O-N 3.13Å; F89-G92 PolarHBondContact O-N 3.36Å; F89-L93 HydrophobicContact CE1-CD2 4.32Å; F89-L93 WeakPolarHBondContact O-CB 3.41Å; F89-L93 PolarHBondContact O-N 3.07Å; F89-V139 HydrophobicContact CE2-CG1 4.07Å; F89-V139 HydrophobicContact CZ-CG1 4.18Å; F89-V140 HydrophobicContact CE1-CG2 4.02Å; F89-V140 HydrophobicContact CZ-CG2 4.03Å; F89-I143 HydrophobicContact CD1-CD1 4.19Å; F89-I143 HydrophobicContact CD2-CD1 4.11Å; F89-I143 HydrophobicContact CE1-CD1 3.89Å; F89-I143 HydrophobicContact CE2-CD1 3.8Å; F89-I143 HydrophobicContact CG-CD1 4.3Å; F89-I143 HydrophobicContact CZ-CD1 3.68Å; F89-I153 HydrophobicContact CB-CG2 4.11Å; F89-I153 HydrophobicContact CD2-CG2 4.16Å; F89-I153 HydrophobicContact CG-CG2 4.32Å; F89-V157 HydrophobicContact CD2-CG2 3.74Å; F89-V157 HydrophobicContact CE2-CG2 3.67Å; F89-I175 HydrophobicContact CD2-CG2 3.44Å; F89-I175 VanDerWaalsContact CD2-CG2 3.44Å; F89-I175 HydrophobicContact CE2-CG2 3.73Å; F89-I175 HydrophobicContact CG-CG2 4.32Å
90C96.1Very high92.4Very high0 Ų033.8 Ų33.80%019%0.193CC..Hα-helixtrans-62.1-40175.7-66.70000112.4F58 I59 T63 L86 R87 L93 D94F58-C90 VanDerWaalsContact CE1-SG 3.54Å; I59-C90 HydrophobicContact CG1-CB 4.25Å; I59-C90 HydrophobicContact CG2-CB 4.48Å; T63-C90 HydrophobicContact CG2-CB 3.59Å; L86-C90 PolarHBondContact O-N 3.24Å; L86-C90 PolarHBondContact O-SG 3.4Å; L86-C90 VanDerWaalsContact O-SG 3.38Å; R87-C90 PolarHBondContact O-N 2.81Å; C90-L93 PolarHBondContact O-N 3.46Å; C90-D94 WeakPolarHBondContact O-CB 3.28Å; C90-D94 PolarHBondContact O-N 3.14Å
91T95.6Very high93.7Very high80 Ų8033.9 Ų33.949%0.49118%0.179SC..Hα-helixtrans-63.2-41.5173.9-55.70000111.9R87 A88 F89 D94 S95 V178R87-T91 PolarHBondContact O-N 2.99Å; R87-T91 PolarHBondContact O-OG1 3.32Å; R87-T91 VanDerWaalsContact O-OG1 3.13Å; A88-T91 PolarHBondContact O-N 2.98Å; F89-T91 VanDerWaalsContact C-N 3.35Å; F89-T91 PolarHBondContact O-N 3.13Å; T91-D94 PolarHBondContact O-N 3.4Å; T91-S95 PolarHBondContact O-N 2.88Å; T91-S95 VanDerWaalsContact O-N 3.15Å; T91-V178 HydrophobicContact CG2-CG1 4.45Å
92G95.3Very high94.4Very high0 Ų037 Ų370%019%0.193CC..Hα-helixtrans-63.6-43.6174.300000112.1A88 F89 S95 V96A88-G92 PolarHBondContact O-N 2.73Å; F89-G92 PolarHBondContact O-N 3.36Å; G92-S95 WeakPolarHBondContact O-CB 3.36Å; G92-S95 PolarHBondContact O-N 3.49Å; G92-V96 PolarHBondContact O-N 3.3Å; G92-V96 VanDerWaalsContact O-N 3.08Å
93L96.2Very high94.9Very high1 Ų133.2 Ų33.21%0.00518%0.178CC..Hα-helixtrans-61.2-44.9177.4-17961.2000111F55 F58 I59 F89 C90 S95 V96 L97 V136 V140 I175F55-L93 HydrophobicContact CB-CD2 4.31Å; F55-L93 HydrophobicContact CD1-CD1 4.24Å; F55-L93 HydrophobicContact CD1-CD2 3.88Å; F55-L93 HydrophobicContact CE1-CD1 4.39Å; F55-L93 HydrophobicContact CG-CD2 4.37Å; F58-L93 HydrophobicContact CD1-CD2 4.12Å; I59-L93 HydrophobicContact CD1-CB 4.46Å; I59-L93 HydrophobicContact CD1-CD2 4.15Å; I59-L93 HydrophobicContact CD1-CG 4.1Å; I59-L93 HydrophobicContact CG1-CD2 4.07Å; I59-L93 HydrophobicContact CG1-CG 4.44Å; F89-L93 HydrophobicContact CE1-CD2 4.32Å; F89-L93 WeakPolarHBondContact O-CB 3.41Å; F89-L93 PolarHBondContact O-N 3.07Å; C90-L93 PolarHBondContact O-N 3.46Å; L93-S95 VanDerWaalsContact C-N 3.29Å; L93-S95 PolarHBondContact O-N 3.5Å; L93-V96 WeakPolarHBondContact O-CB 3.34Å; L93-V96 PolarHBondContact O-N 2.93Å; L93-L97 WeakPolarHBondContact O-CG 3.46Å; L93-L97 PolarHBondContact O-N 3Å; L93-L97 VanDerWaalsContact O-N 3.07Å; L93-V136 HydrophobicContact CD1-CG1 3.45Å; L93-V136 VanDerWaalsContact CD1-CG1 3.45Å; L93-V140 HydrophobicContact CD2-CG2 4.15Å; L93-I175 HydrophobicContact CD1-CD1 4.5Å
94D95.6Very high95.1Very high61 Ų6133.6 Ų33.633%0.32618%0.179SC..Hα-helixtrans-58.7-40.8176.5-172.249000112.2I59 C90 T91 V96 L97 Q98 R101I59-D94 HydrophobicContact CD1-CB 4.02Å; C90-D94 WeakPolarHBondContact O-CB 3.28Å; C90-D94 PolarHBondContact O-N 3.14Å; T91-D94 PolarHBondContact O-N 3.4Å; D94-V96 VanDerWaalsContact C-N 3.33Å; D94-V96 PolarHBondContact O-N 3.47Å; D94-L97 PolarHBondContact O-N 2.73Å; D94-Q98 PolarHBondContact O-N 3.21Å; D94-R101 PolarHBondContact O-NH1 3.26Å; D94-R101 IonicContact OD1-CZ 2.68Å; D94-R101 IonicContact OD1-NH1 3.2Å; D94-R101 PolarHBondContact OD1-NH1 3.11Å; D94-R101 IonicContact OD1-NH2 3.18Å; D94-R101 PolarHBondContact OD1-NH2 3.35Å
95S94.6Very high95.2Very high71 Ų7134.9 Ų34.950%0.49719%0.186SC..Hα-helixtrans-63.3-36.9174.3-173.10000112.8T91 G92 L93 L97 Q98T91-S95 PolarHBondContact O-N 2.88Å; T91-S95 VanDerWaalsContact O-N 3.15Å; G92-S95 WeakPolarHBondContact O-CB 3.36Å; G92-S95 PolarHBondContact O-N 3.49Å; L93-S95 VanDerWaalsContact C-N 3.29Å; L93-S95 PolarHBondContact O-N 3.5Å; S95-L97 VanDerWaalsContact C-N 3.3Å; S95-L97 PolarHBondContact O-N 3.18Å; S95-Q98 WeakPolarHBondContact O-CB 3.39Å; S95-Q98 PolarHBondContact O-N 3.15Å
96V94.8Very high95.2Very high12 Ų1238.6 Ų38.67%0.07321%0.206CC..Hα-helixtrans-69-27.4175.8168.90000112.4G92 L93 D94 P99 L132 A171 I175G92-V96 PolarHBondContact O-N 3.3Å; G92-V96 VanDerWaalsContact O-N 3.08Å; L93-V96 WeakPolarHBondContact O-CB 3.34Å; L93-V96 PolarHBondContact O-N 2.93Å; D94-V96 VanDerWaalsContact C-N 3.33Å; D94-V96 PolarHBondContact O-N 3.47Å; V96-P99 WeakPolarHBondContact O-CD 3.37Å; V96-L132 HydrophobicContact CG1-CD2 4.15Å; V96-A171 HydrophobicContact CG1-CB 3.76Å; V96-A171 HydrophobicContact CG2-CB 3.98Å; V96-I175 HydrophobicContact CG2-CD1 3.89Å; V96-I175 HydrophobicContact CG2-CG1 3.74Å
97L94.9Very high95.2Very high1 Ų138.6 Ų38.61%0.00521%0.206CC..Hα-helixtrans-80.5-16176.7-63.2177.7000113.3Y52 F55 I56 I59 L93 D94 S95 Y100 R101 F133Y52-L97 HydrophobicContact CD2-CD1 4.37Å; Y52-L97 HydrophobicContact CD2-CD2 4.32Å; Y52-L97 HydrophobicContact CE2-CB 4.43Å; Y52-L97 HydrophobicContact CE2-CD1 4.21Å; F55-L97 HydrophobicContact CB-CD1 3.81Å; F55-L97 HydrophobicContact CD2-CD1 4.47Å; F55-L97 HydrophobicContact CD2-CD2 3.83Å; F55-L97 HydrophobicContact CE2-CD2 4.36Å; F55-L97 HydrophobicContact CG-CD1 4.45Å; I56-L97 HydrophobicContact CD1-CD1 4.24Å; I59-L97 HydrophobicContact CD1-CD1 3.89Å; L93-L97 WeakPolarHBondContact O-CG 3.46Å; L93-L97 PolarHBondContact O-N 3Å; L93-L97 VanDerWaalsContact O-N 3.07Å; D94-L97 PolarHBondContact O-N 2.73Å; S95-L97 VanDerWaalsContact C-N 3.3Å; S95-L97 PolarHBondContact O-N 3.18Å; L97-Y100 WeakPolarHBondContact O-CB 3.46Å; L97-Y100 PolarHBondContact O-N 3.47Å; L97-R101 PolarHBondContact O-N 3.2Å; L97-R101 VanDerWaalsContact O-N 3.11Å; L97-F133 HydrophobicContact CD2-CE1 3.83Å; L97-F133 HydrophobicContact CD2-CE2 4.4Å; L97-F133 HydrophobicContact CD2-CZ 3.7Å
98Q95.4Very high95.2Very high100 Ų10038.7 Ų38.747%0.46721%0.21SC..Hα-helixtrans-58.7-42.2-176.8-165.36315.400114.3D94 S95 Y100 R101 Q102D94-Q98 PolarHBondContact O-N 3.21Å; S95-Q98 WeakPolarHBondContact O-CB 3.39Å; S95-Q98 PolarHBondContact O-N 3.15Å; Q98-Y100 VanDerWaalsContact C-N 3.26Å; Q98-Y100 PolarHBondContact O-N 2.82Å; Q98-R101 PolarHBondContact O-N 3.14Å; Q98-R101 VanDerWaalsContact OE1-NH1 3.15Å; Q98-Q102 PolarHBondContact O-N 3.24Å
99P95.4Very high95.1Very high67 Ų6744.3 Ų44.344%0.43524%0.235SC..Hα-helixtrans-62.8-30.8174.4-22.735.1000113.6V96 A103 F129V96-P99 WeakPolarHBondContact O-CD 3.37Å; P99-A103 WeakPolarHBondContact O-CB 3.41Å; P99-A103 PolarHBondContact O-N 2.9Å; P99-F129 HydrophobicContact CB-CE1 4.25Å; P99-F129 HydrophobicContact CB-CZ 4.26Å
100Y95.5Very high94.9Very high0 Ų048.6 Ų48.60%026%0.255CS..Hα-helixtrans-68.8-44.6175.1171.1-103.2000111.1L9 L48 Y52 L97 Q98 Q102 A103 L104 L126 F129 F133L9-Y100 PolarHBondContact O-OH 3.41Å; L48-Y100 HydrophobicContact CD2-CD2 4.46Å; L48-Y100 HydrophobicContact CD2-CE2 3.68Å; L48-Y100 HydrophobicContact CG-CE2 4.12Å; Y52-Y100 HydrophobicContact CD1-CE1 4.09Å; Y52-Y100 AromaticContact CD2-CD1 3.58Å; Y52-Y100 HydrophobicContact CD2-CD1 3.58Å; Y52-Y100 AromaticContact CD2-CE1 3.45Å; Y52-Y100 HydrophobicContact CD2-CE1 3.45Å; Y52-Y100 VanDerWaalsContact CD2-CE1 3.45Å; Y52-Y100 HydrophobicContact CE1-CE1 4.42Å; Y52-Y100 AromaticContact CE2-CD1 3.7Å; Y52-Y100 HydrophobicContact CE2-CD1 3.7Å; Y52-Y100 AromaticContact CE2-CE1 3.83Å; Y52-Y100 HydrophobicContact CE2-CE1 3.83Å; Y52-Y100 HydrophobicContact CG-CD1 4.21Å; Y52-Y100 AromaticContact CG-CE1 3.6Å; Y52-Y100 HydrophobicContact CG-CE1 3.6Å; L97-Y100 WeakPolarHBondContact O-CB 3.46Å; L97-Y100 PolarHBondContact O-N 3.47Å; Q98-Y100 VanDerWaalsContact C-N 3.26Å; Q98-Y100 PolarHBondContact O-N 2.82Å; Y100-Q102 VanDerWaalsContact C-N 3.29Å; Y100-Q102 PolarHBondContact O-N 3.34Å; Y100-A103 PolarHBondContact O-N 3.21Å; Y100-L104 HydrophobicContact CD1-CD1 4.12Å; Y100-L104 HydrophobicContact CE1-CD1 3.5Å; Y100-L104 VanDerWaalsContact CE1-CD1 3.5Å; Y100-L104 HydrophobicContact CE1-CG 4.2Å; Y100-L104 HydrophobicContact CE2-CD1 4.41Å; Y100-L104 HydrophobicContact CE2-CD2 4.32Å; Y100-L104 HydrophobicContact CE2-CG 4.33Å; Y100-L104 WeakPolarHBondContact O-CG 3.42Å; Y100-L104 PolarHBondContact O-N 3.07Å; Y100-L126 HydrophobicContact CD2-CD2 4.18Å; Y100-L126 HydrophobicContact CE2-CD2 4.03Å; Y100-F129 VanDerWaalsContact CA-CZ 3.44Å; Y100-F129 HydrophobicContact CD2-CB 4.27Å; Y100-F129 HydrophobicContact CD2-CD1 4.34Å; Y100-F129 AromaticContact CD2-CD2 3.74Å; Y100-F129 HydrophobicContact CD2-CD2 3.74Å; Y100-F129 HydrophobicContact CD2-CE2 4.11Å; Y100-F129 AromaticContact CD2-CG 3.86Å; Y100-F129 HydrophobicContact CD2-CG 3.86Å; Y100-F133 HydrophobicContact CD1-CE2 4.22Å; Y100-F133 AromaticContact CD1-CZ 3.87Å; Y100-F133 HydrophobicContact CD1-CZ 3.87Å; Y100-F133 HydrophobicContact CD2-CE2 4.18Å; Y100-F133 AromaticContact CD2-CZ 3.8Å; Y100-F133 HydrophobicContact CD2-CZ 3.8Å; Y100-F133 HydrophobicContact CE1-CE2 4.3Å; Y100-F133 HydrophobicContact CE1-CZ 4.39Å; Y100-F133 HydrophobicContact CE2-CE2 4.26Å; Y100-F133 HydrophobicContact CE2-CZ 4.34Å; Y100-F133 HydrophobicContact CG-CE1 4.5Å; Y100-F133 HydrophobicContact CG-CE2 4.16Å; Y100-F133 AromaticContact CG-CZ 3.53Å; Y100-F133 HydrophobicContact CG-CZ 3.53Å
101R95.2Very high94.8Very high47 Ų4750.9 Ų50.918%0.17727%0.265CS..Hα-helixtrans-59.9-41.9174.4-63.6-179.8-171.6125.5-1.6111.6Y52 I56 D94 L97 Q98 L104 L105Y52-R101 HydrophobicContact CE2-CG 4.39Å; Y52-R101 PolarHBondContact OH-NE 3.45Å; I56-R101 VanDerWaalsContact CD1-NH2 3.28Å; D94-R101 PolarHBondContact O-NH1 3.26Å; D94-R101 IonicContact OD1-CZ 2.68Å; D94-R101 IonicContact OD1-NH1 3.2Å; D94-R101 PolarHBondContact OD1-NH1 3.11Å; D94-R101 IonicContact OD1-NH2 3.18Å; D94-R101 PolarHBondContact OD1-NH2 3.35Å; L97-R101 PolarHBondContact O-N 3.2Å; L97-R101 VanDerWaalsContact O-N 3.11Å; Q98-R101 PolarHBondContact O-N 3.14Å; Q98-R101 VanDerWaalsContact OE1-NH1 3.15Å; R101-L104 PolarHBondContact O-N 3.47Å; R101-L105 WeakPolarHBondContact O-CG 3.49Å; R101-L105 PolarHBondContact O-N 2.88Å; R101-L105 VanDerWaalsContact O-N 3.08Å
102Q96.1Very high94.6Very high88 Ų8852.8 Ų52.841%0.41127%0.271SS..Hα-helixtrans-62.1-45.2175.8-171.459.548.300111.6Q98 Y100 L104 L105 D106Q98-Q102 PolarHBondContact O-N 3.24Å; Y100-Q102 VanDerWaalsContact C-N 3.29Å; Y100-Q102 PolarHBondContact O-N 3.34Å; Q102-L104 VanDerWaalsContact C-N 3.27Å; Q102-L104 PolarHBondContact O-N 3.48Å; Q102-L105 WeakPolarHBondContact O-CB 3.33Å; Q102-L105 PolarHBondContact O-N 3.05Å; Q102-L105 VanDerWaalsContact O-N 3.12Å; Q102-D106 PolarHBondContact NE2-OD1 2.8Å; Q102-D106 PolarHBondContact O-N 2.97Å
103A94.9Very high94.5Very high14 Ų1456 Ų5612%0.11631%0.305CS..Hα-helixtrans-61-34.5176.900000112.8P99 Y100 L107 L126 F129P99-A103 WeakPolarHBondContact O-CB 3.41Å; P99-A103 PolarHBondContact O-N 2.9Å; Y100-A103 PolarHBondContact O-N 3.21Å; A103-L107 WeakPolarHBondContact O-CB 3.34Å; A103-L107 VanDerWaalsContact O-CG 3.28Å; A103-L107 WeakPolarHBondContact O-CG 3.46Å; A103-L107 PolarHBondContact O-N 3.41Å; A103-L126 HydrophobicContact CB-CD2 4.23Å; A103-F129 HydrophobicContact CB-CE2 3.86Å; A103-F129 HydrophobicContact CB-CZ 4.3Å
104L94.1Very high94.2Very high13 Ų1359.8 Ų59.87%0.06833%0.325CS..Hα-helixtrans-67.7-40.4174-67.6-179.2000112.4L6 L9 Y100 R101 Q102 L107 E108 L126L6-L104 HydrophobicContact CD2-CD2 4.47Å; L9-L104 HydrophobicContact CB-CD2 3.96Å; L9-L104 HydrophobicContact CD1-CD2 4.35Å; Y100-L104 HydrophobicContact CD1-CD1 4.12Å; Y100-L104 HydrophobicContact CE1-CD1 3.5Å; Y100-L104 VanDerWaalsContact CE1-CD1 3.5Å; Y100-L104 HydrophobicContact CE1-CG 4.2Å; Y100-L104 HydrophobicContact CE2-CD1 4.41Å; Y100-L104 HydrophobicContact CE2-CD2 4.32Å; Y100-L104 HydrophobicContact CE2-CG 4.33Å; Y100-L104 WeakPolarHBondContact O-CG 3.42Å; Y100-L104 PolarHBondContact O-N 3.07Å; R101-L104 PolarHBondContact O-N 3.47Å; Q102-L104 VanDerWaalsContact C-N 3.27Å; Q102-L104 PolarHBondContact O-N 3.48Å; L104-L107 PolarHBondContact O-N 3.46Å; L104-E108 PolarHBondContact O-N 3.09Å; L104-L126 HydrophobicContact CD2-CD1 4.29Å; L104-L126 HydrophobicContact CD2-CD2 4.32Å
105L94.4Very high94Very high86 Ų8661.3 Ų61.345%0.4534%0.338SS..Hα-helixtrans-64.8-41.9175.2-67.2171.7000111.4R101 Q102 L107 E108 Q109R101-L105 WeakPolarHBondContact O-CG 3.49Å; R101-L105 PolarHBondContact O-N 2.88Å; R101-L105 VanDerWaalsContact O-N 3.08Å; Q102-L105 WeakPolarHBondContact O-CB 3.33Å; Q102-L105 PolarHBondContact O-N 3.05Å; Q102-L105 VanDerWaalsContact O-N 3.12Å; L105-L107 VanDerWaalsContact C-N 3.35Å; L105-E108 WeakPolarHBondContact O-CB 3.46Å; L105-E108 PolarHBondContact O-N 3.42Å; L105-Q109 WeakPolarHBondContact O-CG 3.4Å; L105-Q109 PolarHBondContact O-N 2.77Å
106D95Very high93.7Very high78 Ų7865.8 Ų65.842%0.41735%0.351SS..Hα-helixtrans-62.6-43.9177.5-61.6-19.4000110.5Q102 E108 Q109 E110Q102-D106 PolarHBondContact NE2-OD1 2.8Å; Q102-D106 PolarHBondContact O-N 2.97Å; D106-E108 VanDerWaalsContact C-N 3.34Å; D106-E108 PolarHBondContact O-N 2.85Å; D106-Q109 PolarHBondContact O-N 2.9Å; D106-E110 WeakPolarHBondContact O-CG 3.29Å; D106-E110 PolarHBondContact O-N 3.18Å
107L94Very high93.6Very high3 Ų366.2 Ų66.22%0.01635%0.353CS..Hα-helixtrans-63.8-35.2174.3-76.2170.9000113.2L6 A103 L104 L105 E110 F111 L117 V122 L126L6-L107 HydrophobicContact CD2-CB 3.99Å; L6-L107 HydrophobicContact CD2-CD1 4.24Å; A103-L107 WeakPolarHBondContact O-CB 3.34Å; A103-L107 VanDerWaalsContact O-CG 3.28Å; A103-L107 WeakPolarHBondContact O-CG 3.46Å; A103-L107 PolarHBondContact O-N 3.41Å; L104-L107 PolarHBondContact O-N 3.46Å; L105-L107 VanDerWaalsContact C-N 3.35Å; L107-E110 PolarHBondContact O-N 2.76Å; L107-F111 WeakPolarHBondContact O-CB 3.25Å; L107-F111 PolarHBondContact O-N 3.33Å; L107-L117 HydrophobicContact CD2-CD2 4.47Å; L107-V122 HydrophobicContact CD1-CG1 4.22Å; L107-V122 HydrophobicContact CD2-CG2 4.36Å; L107-L126 HydrophobicContact CD1-CD1 4.25Å; L107-L126 HydrophobicContact CD1-CD2 4.13Å; L107-L126 HydrophobicContact CD1-CG 4.05Å
108E93.6Very high93.4Very high83 Ų8369 Ų6939%0.38837%0.372SS..Hα-helixtrans-66.1-43.4174.6-177.6176.7-137.100111.3L6 L104 L105 D106 F111 L112L6-E108 HydrophobicContact CD1-CB 4.49Å; L104-E108 PolarHBondContact O-N 3.09Å; L105-E108 WeakPolarHBondContact O-CB 3.46Å; L105-E108 PolarHBondContact O-N 3.42Å; D106-E108 VanDerWaalsContact C-N 3.34Å; D106-E108 PolarHBondContact O-N 2.85Å; E108-F111 PolarHBondContact O-N 3.31Å; E108-L112 WeakPolarHBondContact O-CG 3.38Å; E108-L112 PolarHBondContact O-N 3.5Å
109Q93.5Very high93.1Very high126 Ų12665 Ų6559%0.58935%0.354SS*.Hα-helixtrans-63.2-41.8174.8-67.4-58.6-53.400111.8L105 D106 F111 L112 G113L105-Q109 WeakPolarHBondContact O-CG 3.4Å; L105-Q109 PolarHBondContact O-N 2.77Å; D106-Q109 PolarHBondContact O-N 2.9Å; Q109-F111 VanDerWaalsContact C-N 3.33Å; Q109-F111 PolarHBondContact O-N 3.08Å; Q109-L112 PolarHBondContact O-N 3.42Å; Q109-G113 PolarHBondContact O-N 2.98Å
110E93.8Very high92.8Very high89 Ų8966.2 Ų66.242%0.41636%0.364SS..Hα-helixtrans-62.1-40.1174.5-74.7-179.5-176.200112D106 L107 L112 G113 D114 L117 H121D106-E110 WeakPolarHBondContact O-CG 3.29Å; D106-E110 PolarHBondContact O-N 3.18Å; L107-E110 PolarHBondContact O-N 2.76Å; E110-L112 PolarHBondContact O-N 3.39Å; E110-G113 PolarHBondContact O-N 3.42Å; E110-D114 PolarHBondContact O-N 2.87Å; E110-L117 HydrophobicContact CB-CD1 4.47Å; E110-H121 IonicContact OE2-CD2 3.48Å; E110-H121 PolarHBondContact OE2-CD2 3.23Å; E110-H121 IonicContact OE2-CE1 3.78Å; E110-H121 IonicContact OE2-NE2 2.71Å; E110-H121 PolarHBondContact OE2-NE2 2.89Å
111F92.7Very high92.7Very high48 Ų4869.3 Ų69.321%0.21138%0.378CS..Hα-helixtrans-66.4-34.8176.3178.3-111.6000113I2 H3 L6 L107 E108 Q109 G113 D114 L117I2-F111 HydrophobicContact CB-CD2 4.25Å; I2-F111 HydrophobicContact CB-CE2 4.06Å; I2-F111 HydrophobicContact CG2-CD2 3.86Å; I2-F111 HydrophobicContact CG2-CE2 4.19Å; I2-F111 HydrophobicContact CG2-CG 4.36Å; H3-F111 HydrophobicContact CB-CE1 4.01Å; H3-F111 HydrophobicContact CB-CZ 4.32Å; L6-F111 HydrophobicContact CD1-CB 4.42Å; L107-F111 WeakPolarHBondContact O-CB 3.25Å; L107-F111 PolarHBondContact O-N 3.33Å; E108-F111 PolarHBondContact O-N 3.31Å; Q109-F111 VanDerWaalsContact C-N 3.33Å; Q109-F111 PolarHBondContact O-N 3.08Å; F111-G113 VanDerWaalsContact C-N 3.33Å; F111-D114 CarbonylContact O-C 3.56Å; F111-L117 HydrophobicContact CB-CD2 4.12Å; F111-L117 HydrophobicContact CD2-CB 4.2Å
112L92.2Very high92.5Very high121 Ų12167 Ų6763%0.63437%0.369SS*.Hα-helixtrans-68.7-32.9173.2-71173.8000112.2E108 Q109 E110E108-L112 WeakPolarHBondContact O-CG 3.38Å; E108-L112 PolarHBondContact O-N 3.5Å; Q109-L112 PolarHBondContact O-N 3.42Å; E110-L112 PolarHBondContact O-N 3.39Å
113G91.7Very high92.4Very high68 Ų6864.3 Ų64.370%0.70136%0.358SS*.Hα-helixtrans-78.4-37.1176.700000114.1Q109 E110 F111Q109-G113 PolarHBondContact O-N 2.98Å; E110-G113 PolarHBondContact O-N 3.42Å; F111-G113 VanDerWaalsContact C-N 3.33Å
114D91.9Very high92.3Very high79 Ų7972.3 Ų72.342%0.42239%0.386SS..  trans-133.1101.1176.7-175.33.2000111.4E110 F111 H116 L117E110-D114 PolarHBondContact O-N 2.87Å; F111-D114 CarbonylContact O-C 3.56Å; D114-H116 PolarHBondContact O-N 3.25Å; D114-H116 WeakPolarHBondContact OD1-CB 3.39Å; D114-H116 IonicContact OD1-CD2 2.68Å; D114-H116 IonicContact OD1-CG 3.96Å; D114-H116 PolarHBondContact OD1-N 2.85Å; D114-L117 PolarHBondContact O-N 3.15Å
115P89.3Confident92.2Very high94 Ų9473.4 Ų73.461%0.6140%0.395SS*.THydrogen-bonded Turntrans-62.3-12176.3-23.834.6000114.7
116H89.8Confident92.1Very high165 Ų16569.3 Ų69.376%0.76437%0.373SS*.THydrogen-bonded Turntrans-93.415179-61.5-63.2000113.8D114 S118D114-H116 PolarHBondContact O-N 3.25Å; D114-H116 WeakPolarHBondContact OD1-CB 3.39Å; D114-H116 IonicContact OD1-CD2 2.68Å; D114-H116 IonicContact OD1-CG 3.96Å; D114-H116 PolarHBondContact OD1-N 2.85Å; H116-S118 PolarHBondContact O-N 3.38Å
117L91.6Very high91.9Very high21 Ų2169.2 Ų69.211%0.1137%0.373CS..  trans-50.7124.9175.9-16170.4000112.2I2 L107 E110 F111 D114 H121 V122I2-L117 WeakPolarHBondContact CG1-O 3.32Å; I2-L117 HydrophobicContact CG2-CD2 4.43Å; L107-L117 HydrophobicContact CD2-CD2 4.47Å; E110-L117 HydrophobicContact CB-CD1 4.47Å; F111-L117 HydrophobicContact CB-CD2 4.12Å; F111-L117 HydrophobicContact CD2-CB 4.2Å; D114-L117 PolarHBondContact O-N 3.15Å; L117-H121 HydrophobicContact CD1-CB 4.38Å; L117-H121 VanDerWaalsContact CD1-CD2 3.43Å; L117-H121 WeakPolarHBondContact CD1-CD2 3.36Å; L117-V122 HydrophobicContact CD2-CG2 4.14Å
118S90.5Very high91.6Very high59 Ų5975 Ų7541%0.41340%0.4SS..  trans-86.7154.2-176.6740000113.1H116 S120 H121 V122H116-S118 PolarHBondContact O-N 3.38Å; S118-S120 PolarHBondContact O-N 3.2Å; S118-H121 WeakPolarHBondContact O-CB 3.38Å; S118-H121 PolarHBondContact O-N 3.12Å; S118-H121 PolarHBondContact OG-N 2.9Å; S118-V122 PolarHBondContact O-N 3.39Å
119I89.3Confident91.6Very high17 Ų1771.4 Ų71.49%0.08738%0.383CS..Hα-helixtrans-59.6-35.5173.8-52.9167.1000110.8M1 I2 E38 V41 L42 L45 H121 V122 N123M1-I119 HydrophobicContact CE-CD1 3.3Å; M1-I119 HydrophobicContact CE-CG1 3.83Å; I2-I119 HydrophobicContact CD1-CG1 3.76Å; E38-I119 HydrophobicContact CB-CD1 4.27Å; V41-I119 HydrophobicContact CG1-CG2 3.98Å; L42-I119 HydrophobicContact CD1-CD1 4.44Å; L42-I119 HydrophobicContact CD2-CD1 4.29Å; L42-I119 HydrophobicContact CD2-CG2 3.83Å; L42-I119 HydrophobicContact CG-CD1 4.42Å; L42-I119 HydrophobicContact CG-CG2 4.35Å; L45-I119 HydrophobicContact CD1-CG2 4.38Å; I119-H121 VanDerWaalsContact C-N 3.29Å; I119-H121 PolarHBondContact O-N 3.3Å; I119-V122 PolarHBondContact O-N 2.88Å; I119-N123 WeakPolarHBondContact O-CB 3.27Å; I119-N123 PolarHBondContact O-N 3.39Å
120S90.4Very high91.4Very high91 Ų9166.7 Ų66.764%0.63636%0.361SS*.Hα-helixtrans-61.5-38.7178.7-58.40000112S118 N123 Y124S118-S120 PolarHBondContact O-N 3.2Å; S120-N123 PolarHBondContact O-N 3.14Å; S120-Y124 WeakPolarHBondContact O-CB 3.42Å; S120-Y124 PolarHBondContact O-N 2.98Å
121H92.3Very high91.2Very high65 Ų6566.7 Ų66.730%0.30136%0.363SS..Hα-helixtrans-65.9-48176-174.678.4000111.4E110 L117 S118 I119 N123 Y124 S125E110-H121 IonicContact OE2-CD2 3.48Å; E110-H121 PolarHBondContact OE2-CD2 3.23Å; E110-H121 IonicContact OE2-CE1 3.78Å; E110-H121 IonicContact OE2-NE2 2.71Å; E110-H121 PolarHBondContact OE2-NE2 2.89Å; L117-H121 HydrophobicContact CD1-CB 4.38Å; L117-H121 VanDerWaalsContact CD1-CD2 3.43Å; L117-H121 WeakPolarHBondContact CD1-CD2 3.36Å; S118-H121 WeakPolarHBondContact O-CB 3.38Å; S118-H121 PolarHBondContact O-N 3.12Å; S118-H121 PolarHBondContact OG-N 2.9Å; I119-H121 VanDerWaalsContact C-N 3.29Å; I119-H121 PolarHBondContact O-N 3.3Å; H121-N123 VanDerWaalsContact C-N 3.28Å; H121-N123 PolarHBondContact O-N 2.91Å; H121-Y124 PolarHBondContact O-N 2.84Å; H121-Y124 VanDerWaalsContact O-N 3.13Å; H121-S125 PolarHBondContact O-N 3.35Å; H121-S125 PolarHBondContact O-OG 2.97Å
122V92.1Very high91.2Very high0 Ų065.1 Ų65.10%036%0.357CS..Hα-helixtrans-57.4-42.5174.71770000111.3I2 L5 L9 L45 L107 L117 S118 I119 S125 L126I2-V122 HydrophobicContact CG2-CG2 4.48Å; L5-V122 HydrophobicContact CD2-CG1 4.19Å; L9-V122 HydrophobicContact CD1-CG1 4.29Å; L45-V122 HydrophobicContact CD1-CG1 4.25Å; L107-V122 HydrophobicContact CD1-CG1 4.22Å; L107-V122 HydrophobicContact CD2-CG2 4.36Å; L117-V122 HydrophobicContact CD2-CG2 4.14Å; S118-V122 PolarHBondContact O-N 3.39Å; I119-V122 PolarHBondContact O-N 2.88Å; V122-S125 PolarHBondContact O-N 3.07Å; V122-L126 HydrophobicContact CG1-CD1 3.98Å; V122-L126 WeakPolarHBondContact O-CG 3.09Å; V122-L126 PolarHBondContact O-N 3.48Å
123N92.8Very high91.4Very high30 Ų3059.4 Ų59.416%0.1633%0.327CS..Hα-helixtrans-65.1-39.1177.8-178.171.6000112.7V41 L45 I119 S120 H121 D127 Q130V41-N123 HydrophobicContact CG1-CB 3.81Å; L45-N123 HydrophobicContact CD1-CB 4.36Å; I119-N123 WeakPolarHBondContact O-CB 3.27Å; I119-N123 PolarHBondContact O-N 3.39Å; S120-N123 PolarHBondContact O-N 3.14Å; H121-N123 VanDerWaalsContact C-N 3.28Å; H121-N123 PolarHBondContact O-N 2.91Å; N123-D127 PolarHBondContact O-N 3.06Å; N123-Q130 PolarHBondContact OD1-NE2 3.33Å
124Y93.4Very high91.5Very high183 Ų18359 Ų5972%0.71831%0.312SS*.Hα-helixtrans-65.9-48.1175.9175.6-100.3000111.7S120 H121 L126 D127S120-Y124 WeakPolarHBondContact O-CB 3.42Å; S120-Y124 PolarHBondContact O-N 2.98Å; H121-Y124 PolarHBondContact O-N 2.84Å; H121-Y124 VanDerWaalsContact O-N 3.13Å; Y124-L126 PolarHBondContact O-N 3.18Å; Y124-D127 WeakPolarHBondContact O-CB 3.47Å; Y124-D127 PolarHBondContact O-N 3.36Å
125S91.3Very high91.5Very high35 Ų3557 Ų5725%0.24530%0.304CS..Hα-helixtrans-61.7-27.3-179.5-60.30000113.2H121 V122H121-S125 PolarHBondContact O-N 3.35Å; H121-S125 PolarHBondContact O-OG 2.97Å; V122-S125 PolarHBondContact O-N 3.07Å
126L93.6Very high91.8Very high0 Ų052.6 Ų52.60%028%0.275CS..THydrogen-bonded Turntrans-100-0.6-179.6-61.6178000114.5L9 L45 L48 Y100 A103 L104 L107 V122 Y124 Q128 F129L9-L126 HydrophobicContact CD1-CD1 3.59Å; L45-L126 HydrophobicContact CD2-CB 4.41Å; L45-L126 HydrophobicContact CD2-CD1 4.16Å; L48-L126 HydrophobicContact CD2-CB 4.01Å; L48-L126 HydrophobicContact CD2-CD1 4.29Å; Y100-L126 HydrophobicContact CD2-CD2 4.18Å; Y100-L126 HydrophobicContact CE2-CD2 4.03Å; A103-L126 HydrophobicContact CB-CD2 4.23Å; L104-L126 HydrophobicContact CD2-CD1 4.29Å; L104-L126 HydrophobicContact CD2-CD2 4.32Å; L107-L126 HydrophobicContact CD1-CD1 4.25Å; L107-L126 HydrophobicContact CD1-CD2 4.13Å; L107-L126 HydrophobicContact CD1-CG 4.05Å; V122-L126 HydrophobicContact CG1-CD1 3.98Å; V122-L126 WeakPolarHBondContact O-CG 3.09Å; V122-L126 PolarHBondContact O-N 3.48Å; Y124-L126 PolarHBondContact O-N 3.18Å; L126-Q128 VanDerWaalsContact C-N 3.27Å; L126-Q128 PolarHBondContact O-N 2.89Å; L126-F129 HydrophobicContact CD2-CD2 3.95Å; L126-F129 HydrophobicContact CD2-CE2 4.16Å; L126-F129 PolarHBondContact O-N 3.43Å
127D90.5Very high92Very high76 Ų7645.3 Ų45.341%0.40624%0.242SC..Hα-helixtrans-59.1-36.8-173-168.460.6000112.6R44 N123 Y124 F129 Q130R44-D127 IonicContact NH2-OD1 3.86Å; R44-D127 PolarHBondContact NH2-OD1 2.94Å; N123-D127 PolarHBondContact O-N 3.06Å; Y124-D127 WeakPolarHBondContact O-CB 3.47Å; Y124-D127 PolarHBondContact O-N 3.36Å; D127-F129 PolarHBondContact O-N 2.68Å; D127-Q130 WeakPolarHBondContact O-CB 3.17Å; D127-Q130 PolarHBondContact O-N 2.99Å; D127-Q130 VanDerWaalsContact O-N 3.09Å; D127-Q130 PolarHBondContact OD1-OE1 3.49Å
128Q88.4Confident92.2Very high126 Ų12648.2 Ų48.259%0.58926%0.26SS*.Hα-helixtrans-59.1-31.9177.467.3-179.90.100113.7L126L126-Q128 VanDerWaalsContact C-N 3.27Å; L126-Q128 PolarHBondContact O-N 2.89Å
129F93.3Very high92.4Very high6 Ų645.4 Ų45.43%0.02624%0.241CC..Hα-helixtrans-82.6-21.2-178.8-57.3-69000112.3L48 P99 Y100 A103 L126 D127 L131 L132 F133L48-F129 HydrophobicContact CD1-CB 3.81Å; L48-F129 WeakPolarHBondContact CD1-O 3.41Å; L48-F129 HydrophobicContact CD2-CB 4.17Å; P99-F129 HydrophobicContact CB-CE1 4.25Å; P99-F129 HydrophobicContact CB-CZ 4.26Å; Y100-F129 VanDerWaalsContact CA-CZ 3.44Å; Y100-F129 HydrophobicContact CD2-CB 4.27Å; Y100-F129 HydrophobicContact CD2-CD1 4.34Å; Y100-F129 AromaticContact CD2-CD2 3.74Å; Y100-F129 HydrophobicContact CD2-CD2 3.74Å; Y100-F129 HydrophobicContact CD2-CE2 4.11Å; Y100-F129 AromaticContact CD2-CG 3.86Å; Y100-F129 HydrophobicContact CD2-CG 3.86Å; A103-F129 HydrophobicContact CB-CE2 3.86Å; A103-F129 HydrophobicContact CB-CZ 4.3Å; L126-F129 HydrophobicContact CD2-CD2 3.95Å; L126-F129 HydrophobicContact CD2-CE2 4.16Å; L126-F129 PolarHBondContact O-N 3.43Å; D127-F129 PolarHBondContact O-N 2.68Å; F129-L131 PolarHBondContact O-N 3.28Å; F129-L132 HydrophobicContact CD1-CD2 4.32Å; F129-L132 PolarHBondContact O-N 3.08Å; F129-F133 HydrophobicContact CB-CD1 4.25Å; F129-F133 HydrophobicContact CB-CE1 4.1Å; F129-F133 HydrophobicContact CB-CZ 4.39Å; F129-F133 AromaticContact CD1-CE1 3.96Å; F129-F133 HydrophobicContact CD1-CE1 3.96Å; F129-F133 HydrophobicContact CD1-CZ 4.48Å; F129-F133 HydrophobicContact CG-CE1 4.38Å; F129-F133 PolarHBondContact O-N 3.37Å
130Q88.9Confident92.7Very high27 Ų2744.6 Ų44.613%0.12624%0.237CC..Hα-helixtrans-68.8-23.5179.7-60.4173.16.100112.3L48 N123 D127 P134L48-Q130 HydrophobicContact CD1-CG 4.46Å; L48-Q130 HydrophobicContact CD2-CG 4.39Å; N123-Q130 PolarHBondContact OD1-NE2 3.33Å; D127-Q130 WeakPolarHBondContact O-CB 3.17Å; D127-Q130 PolarHBondContact O-N 2.99Å; D127-Q130 VanDerWaalsContact O-N 3.09Å; D127-Q130 PolarHBondContact OD1-OE1 3.49Å; Q130-P134 VanDerWaalsContact O-CD 3.23Å; Q130-P134 WeakPolarHBondContact O-CD 3.27Å; Q130-P134 WeakPolarHBondContact O-CG 3.45Å
131L89.2Confident92.9Very high89 Ų8944 Ų4447%0.46622%0.224SC..Hα-helixtrans-86.9-38.3169.4-17264.5000112F129 S135 L165F129-L131 PolarHBondContact O-N 3.28Å; L131-S135 PolarHBondContact O-OG 3.15Å; L131-L165 HydrophobicContact CD1-CD1 3.81Å; L131-L165 HydrophobicContact CD2-CD1 4Å; L131-L165 HydrophobicContact CD2-CD2 4.14Å; L131-L165 HydrophobicContact CG-CD1 3.93Å
132L93.7Very high93.1Very high16 Ų1643.3 Ų43.38%0.08422%0.221CC..Hα-helixtrans-68.7-50.2-174.9179.361.2000113V96 F129 S135 V136 V168 A171V96-L132 HydrophobicContact CG1-CD2 4.15Å; F129-L132 HydrophobicContact CD1-CD2 4.32Å; F129-L132 PolarHBondContact O-N 3.08Å; L132-S135 PolarHBondContact O-N 3.34Å; L132-V136 HydrophobicContact CD1-CG2 3.86Å; L132-V136 HydrophobicContact CG-CG2 4.33Å; L132-V136 WeakPolarHBondContact O-CG2 3.41Å; L132-V136 PolarHBondContact O-N 3.42Å; L132-V168 HydrophobicContact CD1-CB 4.42Å; L132-V168 HydrophobicContact CD1-CG2 4.19Å; L132-A171 HydrophobicContact CD1-CB 3.59Å
133F94.9Very high93.2Very high1 Ų143.3 Ų43.30%0.00422%0.221CC..Hα-helixtrans-64.2-45.5-170.3-77.219.2000112.7L48 D51 Y52 F55 L97 Y100 F129 S135 V136 M137L48-F133 HydrophobicContact CD1-CB 3.96Å; L48-F133 HydrophobicContact CD1-CD1 4.45Å; L48-F133 HydrophobicContact CD1-CD2 3.27Å; L48-F133 HydrophobicContact CD1-CE2 3.78Å; L48-F133 HydrophobicContact CD1-CG 3.65Å; L48-F133 HydrophobicContact CG-CD2 3.98Å; L48-F133 HydrophobicContact CG-CE2 4.13Å; D51-F133 HydrophobicContact CB-CB 4.09Å; D51-F133 HydrophobicContact CB-CD2 4.09Å; Y52-F133 HydrophobicContact CD2-CE2 4.35Å; F55-F133 HydrophobicContact CD2-CD2 4.48Å; F55-F133 HydrophobicContact CE2-CB 4.01Å; F55-F133 HydrophobicContact CE2-CD1 4.29Å; F55-F133 HydrophobicContact CE2-CD2 4.01Å; F55-F133 AromaticContact CE2-CG 3.85Å; F55-F133 HydrophobicContact CE2-CG 3.85Å; F55-F133 WeakPolarHBondContact CZ-O 3.42Å; L97-F133 HydrophobicContact CD2-CE1 3.83Å; L97-F133 HydrophobicContact CD2-CE2 4.4Å; L97-F133 HydrophobicContact CD2-CZ 3.7Å; Y100-F133 HydrophobicContact CD1-CE2 4.22Å; Y100-F133 AromaticContact CD1-CZ 3.87Å; Y100-F133 HydrophobicContact CD1-CZ 3.87Å; Y100-F133 HydrophobicContact CD2-CE2 4.18Å; Y100-F133 AromaticContact CD2-CZ 3.8Å; Y100-F133 HydrophobicContact CD2-CZ 3.8Å; Y100-F133 HydrophobicContact CE1-CE2 4.3Å; Y100-F133 HydrophobicContact CE1-CZ 4.39Å; Y100-F133 HydrophobicContact CE2-CE2 4.26Å; Y100-F133 HydrophobicContact CE2-CZ 4.34Å; Y100-F133 HydrophobicContact CG-CE1 4.5Å; Y100-F133 HydrophobicContact CG-CE2 4.16Å; Y100-F133 AromaticContact CG-CZ 3.53Å; Y100-F133 HydrophobicContact CG-CZ 3.53Å; F129-F133 HydrophobicContact CB-CD1 4.25Å; F129-F133 HydrophobicContact CB-CE1 4.1Å; F129-F133 HydrophobicContact CB-CZ 4.39Å; F129-F133 AromaticContact CD1-CE1 3.96Å; F129-F133 HydrophobicContact CD1-CE1 3.96Å; F129-F133 HydrophobicContact CD1-CZ 4.48Å; F129-F133 HydrophobicContact CG-CE1 4.38Å; F129-F133 PolarHBondContact O-N 3.37Å; F133-S135 VanDerWaalsContact C-N 3.3Å; F133-S135 PolarHBondContact O-N 3.25Å; F133-V136 PolarHBondContact O-N 2.81Å; F133-M137 VanDerWaalsContact O-CB 3.29Å; F133-M137 WeakPolarHBondContact O-CB 3.46Å; F133-M137 PolarHBondContact O-N 3.23Å
134P93.4Very high93.1Very high59 Ų5944.9 Ų44.938%0.38323%0.226SC..Hα-helixtrans-60.9-38.9177.5-25.736.2000112.8Q130 M137 V138Q130-P134 VanDerWaalsContact O-CD 3.23Å; Q130-P134 WeakPolarHBondContact O-CD 3.27Å; Q130-P134 WeakPolarHBondContact O-CG 3.45Å; P134-M137 PolarHBondContact O-N 3.08Å; P134-V138 WeakPolarHBondContact O-CG2 3.45Å; P134-V138 PolarHBondContact O-N 3.43Å; P134-V138 VanDerWaalsContact O-N 3.14Å
135S92.8Very high93.1Very high36 Ų3640.3 Ų40.325%0.25222%0.221SC..Hα-helixtrans-65.9-42.2177.7-61.10000112.4L131 L132 F133L131-S135 PolarHBondContact O-OG 3.15Å; L132-S135 PolarHBondContact O-N 3.34Å; F133-S135 VanDerWaalsContact C-N 3.3Å; F133-S135 PolarHBondContact O-N 3.25Å
136V94.7Very high93.1Very high2 Ų244.4 Ų44.41%0.01224%0.236CC..Hα-helixtrans-70.5-34.5176.5178.50000111.2F55 L93 L132 F133 V138 V139 V140 L172F55-V136 HydrophobicContact CE1-CB 4.47Å; F55-V136 HydrophobicContact CE1-CG1 4Å; F55-V136 HydrophobicContact CZ-CB 4.04Å; F55-V136 HydrophobicContact CZ-CG1 3.99Å; L93-V136 HydrophobicContact CD1-CG1 3.45Å; L93-V136 VanDerWaalsContact CD1-CG1 3.45Å; L132-V136 HydrophobicContact CD1-CG2 3.86Å; L132-V136 HydrophobicContact CG-CG2 4.33Å; L132-V136 WeakPolarHBondContact O-CG2 3.41Å; L132-V136 PolarHBondContact O-N 3.42Å; F133-V136 PolarHBondContact O-N 2.81Å; V136-V138 VanDerWaalsContact C-N 3.32Å; V136-V138 PolarHBondContact O-N 2.96Å; V136-V139 WeakPolarHBondContact O-CB 3.43Å; V136-V139 PolarHBondContact O-N 3.29Å; V136-V139 VanDerWaalsContact O-N 3.09Å; V136-V140 PolarHBondContact O-N 3.3Å; V136-V140 VanDerWaalsContact O-N 3.14Å; V136-L172 HydrophobicContact CG2-CD2 4.39Å
137M95.5Very high93Very high13 Ų1350.9 Ų50.96%0.06426%0.264CS..Hα-helixtrans-63.1-37.2177.3-173.257.873.400112.1D51 R54 F55 F133 P134 V139 V140 E141D51-M137 HydrophobicContact CB-CE 3.87Å; D51-M137 WeakPolarHBondContact O-CE 3.43Å; R54-M137 HydrophobicContact CB-CE 3.63Å; F55-M137 HydrophobicContact CD1-CE 3.7Å; F55-M137 HydrophobicContact CD1-SD 4.42Å; F55-M137 HydrophobicContact CD2-CE 4.38Å; F55-M137 HydrophobicContact CE1-CB 4.12Å; F55-M137 HydrophobicContact CE1-CE 3.45Å; F55-M137 VanDerWaalsContact CE1-CE 3.45Å; F55-M137 HydrophobicContact CE1-SD 3.94Å; F55-M137 HydrophobicContact CE2-CE 4.16Å; F55-M137 HydrophobicContact CG-CE 4.17Å; F55-M137 HydrophobicContact CZ-CB 3.95Å; F55-M137 HydrophobicContact CZ-CE 3.7Å; F55-M137 HydrophobicContact CZ-SD 4.49Å; F133-M137 VanDerWaalsContact O-CB 3.29Å; F133-M137 WeakPolarHBondContact O-CB 3.46Å; F133-M137 PolarHBondContact O-N 3.23Å; P134-M137 PolarHBondContact O-N 3.08Å; M137-V139 PolarHBondContact O-N 3.05Å; M137-V140 PolarHBondContact O-N 3.36Å; M137-V140 HydrophobicContact SD-CB 4.33Å; M137-V140 HydrophobicContact SD-CG1 4.5Å; M137-E141 HydrophobicContact CG-CG 4.26Å; M137-E141 WeakPolarHBondContact O-CB 3.48Å; M137-E141 WeakPolarHBondContact O-CG 3.48Å; M137-E141 PolarHBondContact O-N 2.87Å; M137-E141 HydrophobicContact SD-CG 4.22Å
138V94.9Very high93.1Very high82 Ų8247.6 Ų47.650%0.49725%0.247SC..Hα-helixtrans-57.6-39.7173.1171.10000111.3P134 V136 Q142P134-V138 WeakPolarHBondContact O-CG2 3.45Å; P134-V138 PolarHBondContact O-N 3.43Å; P134-V138 VanDerWaalsContact O-N 3.14Å; V136-V138 VanDerWaalsContact C-N 3.32Å; V136-V138 PolarHBondContact O-N 2.96Å; V138-Q142 VanDerWaalsContact O-CB 3.31Å; V138-Q142 WeakPolarHBondContact O-CB 3.32Å; V138-Q142 PolarHBondContact O-N 2.98Å
139V95.5Very high93.3Very high0 Ų044 Ų440%023%0.23CC..Hα-helixtrans-65.5-45.8176.8-174.60000110.9F89 V136 M137 Q142 I143 T156 V157 H160 L172F89-V139 HydrophobicContact CE2-CG1 4.07Å; F89-V139 HydrophobicContact CZ-CG1 4.18Å; V136-V139 WeakPolarHBondContact O-CB 3.43Å; V136-V139 PolarHBondContact O-N 3.29Å; V136-V139 VanDerWaalsContact O-N 3.09Å; M137-V139 PolarHBondContact O-N 3.05Å; V139-Q142 PolarHBondContact O-N 3.07Å; V139-I143 HydrophobicContact CG1-CD1 4.05Å; V139-I143 WeakPolarHBondContact O-CG1 3.43Å; V139-I143 PolarHBondContact O-N 3.08Å; V139-T156 HydrophobicContact CG1-CG2 4.36Å; V139-V157 HydrophobicContact CG1-CG2 4.23Å; V139-H160 HydrophobicContact CG2-CB 3.81Å; V139-L172 HydrophobicContact CG2-CD2 4.06Å
140V95.7Very high93.2Very high0 Ų043.7 Ų43.70%023%0.229CC..Hα-helixtrans-61.6-46.1178.1175.10000111.4F55 F58 F89 L93 V136 M137 Q142 I143 K144F55-V140 HydrophobicContact CD1-CG2 4.06Å; F55-V140 HydrophobicContact CE1-CG2 3.84Å; F58-V140 HydrophobicContact CB-CG1 4.48Å; F58-V140 HydrophobicContact CD1-CG1 4.07Å; F58-V140 HydrophobicContact CD2-CG1 3.96Å; F58-V140 HydrophobicContact CE1-CG1 4.25Å; F58-V140 HydrophobicContact CE2-CG1 4.09Å; F58-V140 HydrophobicContact CG-CG1 3.9Å; F58-V140 HydrophobicContact CZ-CG1 4.23Å; F89-V140 HydrophobicContact CE1-CG2 4.02Å; F89-V140 HydrophobicContact CZ-CG2 4.03Å; L93-V140 HydrophobicContact CD2-CG2 4.15Å; V136-V140 PolarHBondContact O-N 3.3Å; V136-V140 VanDerWaalsContact O-N 3.14Å; M137-V140 PolarHBondContact O-N 3.36Å; M137-V140 HydrophobicContact SD-CB 4.33Å; M137-V140 HydrophobicContact SD-CG1 4.5Å; V140-Q142 VanDerWaalsContact C-N 3.32Å; V140-Q142 PolarHBondContact O-N 3.09Å; V140-I143 PolarHBondContact O-N 2.88Å; V140-K144 HydrophobicContact CG1-CD 4.33Å; V140-K144 WeakPolarHBondContact O-CG 3.28Å; V140-K144 PolarHBondContact O-N 3.46Å
141E94.4Very high93.5Very high78 Ų7842.4 Ų42.436%0.36422%0.223SC..Hα-helixtrans-66.6-34.2177.9-72.3-56.8142.100112.1M137 K144 S145M137-E141 HydrophobicContact CG-CG 4.26Å; M137-E141 WeakPolarHBondContact O-CB 3.48Å; M137-E141 WeakPolarHBondContact O-CG 3.48Å; M137-E141 PolarHBondContact O-N 2.87Å; M137-E141 HydrophobicContact SD-CG 4.22Å; E141-K144 PolarHBondContact O-N 3.37Å; E141-K144 IonicContact OE1-NZ 3.25Å; E141-S145 VanDerWaalsContact O-CB 3.24Å; E141-S145 WeakPolarHBondContact O-CB 3.37Å; E141-S145 PolarHBondContact O-N 3.46Å; E141-S145 PolarHBondContact O-OG 2.95Å
142Q95.1Very high93.8Very high51 Ų5141 Ų4124%0.23821%0.214CC..Hα-helixtrans-65.6-45.3173.2-166.4-178.3-19.100111.5V138 V139 V140 K144 S145 Q146 I148 H160V138-Q142 VanDerWaalsContact O-CB 3.31Å; V138-Q142 WeakPolarHBondContact O-CB 3.32Å; V138-Q142 PolarHBondContact O-N 2.98Å; V139-Q142 PolarHBondContact O-N 3.07Å; V140-Q142 VanDerWaalsContact C-N 3.32Å; V140-Q142 PolarHBondContact O-N 3.09Å; Q142-K144 VanDerWaalsContact C-N 3.31Å; Q142-K144 PolarHBondContact O-N 3.24Å; Q142-S145 PolarHBondContact O-N 3.22Å; Q142-S145 PolarHBondContact O-OG 3.3Å; Q142-Q146 HydrophobicContact CG-CG 4.29Å; Q142-Q146 WeakPolarHBondContact O-CB 3.41Å; Q142-Q146 PolarHBondContact O-N 3.47Å; Q142-I148 HydrophobicContact CG-CD1 4.16Å; Q142-H160 PolarHBondContact OE1-NE2 2.74Å
143I94.3Very high93.8Very high0 Ų040.3 Ų40.30%021%0.21CC..Hα-helixtrans-58.5-44.2176.1-68.9166.5000110.6L81 L86 F89 V139 V140 K147 I148 I153L81-I143 HydrophobicContact CD1-CG2 4.11Å; L81-I143 HydrophobicContact CD2-CG2 4.48Å; L86-I143 HydrophobicContact CD1-CG2 4.13Å; F89-I143 HydrophobicContact CD1-CD1 4.19Å; F89-I143 HydrophobicContact CD2-CD1 4.11Å; F89-I143 HydrophobicContact CE1-CD1 3.89Å; F89-I143 HydrophobicContact CE2-CD1 3.8Å; F89-I143 HydrophobicContact CG-CD1 4.3Å; F89-I143 HydrophobicContact CZ-CD1 3.68Å; V139-I143 HydrophobicContact CG1-CD1 4.05Å; V139-I143 WeakPolarHBondContact O-CG1 3.43Å; V139-I143 PolarHBondContact O-N 3.08Å; V140-I143 PolarHBondContact O-N 2.88Å; I143-K147 WeakPolarHBondContact O-CA 3.28Å; I143-K147 PolarHBondContact O-N 2.92Å; I143-K147 VanDerWaalsContact O-N 3.16Å; I143-I148 HydrophobicContact CG1-CD1 4.34Å; I143-I148 PolarHBondContact O-N 2.84Å; I143-I148 VanDerWaalsContact O-N 3.16Å; I143-I153 HydrophobicContact CD1-CG2 4.34Å
144K91.7Very high93.9Very high62 Ų6240.3 Ų40.327%0.2721%0.21SC..Hα-helixtrans-65-52.3177.2-73.6178.4-177.6174.90113.2F58 L81 V140 E141 Q142 K147F58-K144 HydrophobicContact CD2-CD 4.34Å; F58-K144 HydrophobicContact CD2-CG 4.39Å; F58-K144 HydrophobicContact CE2-CD 4.42Å; F58-K144 HydrophobicContact CE2-CG 3.98Å; L81-K144 HydrophobicContact CD1-CG 4.28Å; V140-K144 HydrophobicContact CG1-CD 4.33Å; V140-K144 WeakPolarHBondContact O-CG 3.28Å; V140-K144 PolarHBondContact O-N 3.46Å; E141-K144 PolarHBondContact O-N 3.37Å; E141-K144 IonicContact OE1-NZ 3.25Å; Q142-K144 VanDerWaalsContact C-N 3.31Å; Q142-K144 PolarHBondContact O-N 3.24Å; K144-K147 PolarHBondContact O-N 3.1Å
145S92.9Very high94Very high88 Ų8839.1 Ų39.162%0.61520%0.2SC*.Hα-helixtrans-69.2-40.5-172.756.60000112.8E141 Q142 K147E141-S145 VanDerWaalsContact O-CB 3.24Å; E141-S145 WeakPolarHBondContact O-CB 3.37Å; E141-S145 PolarHBondContact O-N 3.46Å; E141-S145 PolarHBondContact O-OG 2.95Å; Q142-S145 PolarHBondContact O-N 3.22Å; Q142-S145 PolarHBondContact O-OG 3.3Å; S145-K147 VanDerWaalsContact C-N 3.34Å
146Q92.3Very high94.1Very high120 Ų12038 Ų3856%0.56119%0.191SC*.Hα-helixtrans-88.9-2.6-179.4-62.6178.7-8.200113Q142 I148Q142-Q146 HydrophobicContact CG-CG 4.29Å; Q142-Q146 WeakPolarHBondContact O-CB 3.41Å; Q142-Q146 PolarHBondContact O-N 3.47Å; Q146-I148 VanDerWaalsContact C-N 3.28Å; Q146-I148 HydrophobicContact CB-CD1 4.19Å; Q146-I148 HydrophobicContact CB-CG1 3.7Å; Q146-I148 PolarHBondContact O-N 3.46Å
147K91.3Very high94.1Very high137 Ų13737.9 Ų37.960%0.59619%0.19SC*.THydrogen-bonded Turntrans50.347.1-175.4-60.5-170.9177.9-167.40112.7G79 L81 I143 K144 S145 H149G79-K147 PolarHBondContact O-NZ 3.29Å; L81-K147 HydrophobicContact CD2-CB 4.36Å; I143-K147 WeakPolarHBondContact O-CA 3.28Å; I143-K147 PolarHBondContact O-N 2.92Å; I143-K147 VanDerWaalsContact O-N 3.16Å; K144-K147 PolarHBondContact O-N 3.1Å; S145-K147 VanDerWaalsContact C-N 3.34Å; K147-H149 PolarHBondContact O-N 2.9Å
148I92.6Very high94.1Very high6 Ų641.1 Ų41.13%0.03120%0.202CC..  trans-65.1131.2-174.4-53.5-173.9000110.1L81 Q142 I143 Q146 Q152 I153 T156L81-I148 WeakPolarHBondContact CD2-O 3.34Å; Q142-I148 HydrophobicContact CG-CD1 4.16Å; I143-I148 HydrophobicContact CG1-CD1 4.34Å; I143-I148 PolarHBondContact O-N 2.84Å; I143-I148 VanDerWaalsContact O-N 3.16Å; Q146-I148 VanDerWaalsContact C-N 3.28Å; Q146-I148 HydrophobicContact CB-CD1 4.19Å; Q146-I148 HydrophobicContact CB-CG1 3.7Å; Q146-I148 PolarHBondContact O-N 3.46Å; I148-Q152 VanDerWaalsContact CG2-C 3.48Å; I148-Q152 HydrophobicContact CG2-CB 3.47Å; I148-Q152 VanDerWaalsContact CG2-CB 3.47Å; I148-I153 HydrophobicContact CG2-CG1 3.95Å; I148-T156 HydrophobicContact CD1-CG2 3.92Å; I148-T156 VanDerWaalsContact CD1-OG1 3.23Å; I148-T156 WeakPolarHBondContact CD1-OG1 3.31Å
149H91.9Very high94.1Very high50 Ų5043.1 Ų43.123%0.23120%0.204CC..  trans-124.6145.5-171.5-171.663.8000113H82 K147 Q152 H200 E202H82-H149 AromaticContact NE2-CE1 3.95Å; H82-H149 PolarHBondContact O-CE1 3.14Å; H82-H149 PolarHBondContact O-ND1 3.35Å; K147-H149 PolarHBondContact O-N 2.9Å; H149-Q152 WeakPolarHBondContact O-CB 3.42Å; H149-Q152 PolarHBondContact O-N 2.98Å; H149-H200 PolarHBondContact NE2-O 3.2Å; H149-E202 WeakPolarHBondContact NE2-CG 3.49Å
150G92.3Very high94Very high1 Ų145.9 Ų45.91%0.0122%0.217CC..THydrogen-bonded Turntrans54.3-134.5173.300000115.1Q152 I153G150-Q152 PolarHBondContact O-N 2.74Å; G150-Q152 VanDerWaalsContact O-N 3.1Å; G150-I153 WeakPolarHBondContact O-CB 3.39Å; G150-I153 PolarHBondContact O-N 2.97Å
151C94.6Very high93.8Very high0 Ų046.1 Ų46.10%022%0.219CC..THydrogen-bonded Turntrans-59.9-17.6-179.7-74.50000114.8Y85 I153 L154 E155 E202 I263 P265Y85-C151 PolarHBondContact OH-SG 3.3Å; C151-I153 PolarHBondContact O-N 3.32Å; C151-L154 HydrophobicContact CB-CD1 4.28Å; C151-L154 VanDerWaalsContact O-CB 3.23Å; C151-L154 WeakPolarHBondContact O-CB 3.45Å; C151-L154 PolarHBondContact O-N 3.35Å; C151-E155 PolarHBondContact O-N 3Å; C151-E202 PolarHBondContact N-O 3.35Å; C151-E202 VanDerWaalsContact N-O 3.12Å; C151-E202 PolarHBondContact SG-O 3.44Å; C151-E202 VanDerWaalsContact SG-O 3.32Å; C151-I263 WeakPolarHBondContact CB-O 3.42Å; C151-P265 HydrophobicContact CB-CG 4.1Å
152Q94.4Very high93.6Very high60 Ų6046.3 Ų46.328%0.2823%0.228SC..Hα-helixtrans-66.3-22.4174.2-64.1-176.4-6.900112.8I148 H149 G150 L154 E155 T156 E262 I263I148-Q152 VanDerWaalsContact CG2-C 3.48Å; I148-Q152 HydrophobicContact CG2-CB 3.47Å; I148-Q152 VanDerWaalsContact CG2-CB 3.47Å; H149-Q152 WeakPolarHBondContact O-CB 3.42Å; H149-Q152 PolarHBondContact O-N 2.98Å; G150-Q152 PolarHBondContact O-N 2.74Å; G150-Q152 VanDerWaalsContact O-N 3.1Å; Q152-L154 VanDerWaalsContact C-N 3.27Å; Q152-L154 PolarHBondContact O-N 2.7Å; Q152-E155 PolarHBondContact O-N 2.96Å; Q152-T156 PolarHBondContact O-N 3.27Å; Q152-T156 PolarHBondContact O-OG1 3.48Å; Q152-E262 PolarHBondContact NE2-O 3.07Å; Q152-I263 HydrophobicContact CG-CB 4.28Å; Q152-I263 HydrophobicContact CG-CG2 4.11Å
153I95.4Very high93.2Very high1 Ų145.7 Ų45.71%0.00524%0.235CC..Hα-helixtrans-62.1-40.4171.3-63.4176.1000109.7L86 F89 I143 I148 G150 C151 E155 T156 V157L86-I153 HydrophobicContact CB-CD1 3.98Å; L86-I153 HydrophobicContact CD1-CD1 4.29Å; F89-I153 HydrophobicContact CB-CG2 4.11Å; F89-I153 HydrophobicContact CD2-CG2 4.16Å; F89-I153 HydrophobicContact CG-CG2 4.32Å; I143-I153 HydrophobicContact CD1-CG2 4.34Å; I148-I153 HydrophobicContact CG2-CG1 3.95Å; G150-I153 WeakPolarHBondContact O-CB 3.39Å; G150-I153 PolarHBondContact O-N 2.97Å; C151-I153 PolarHBondContact O-N 3.32Å; I153-E155 VanDerWaalsContact C-N 3.33Å; I153-E155 PolarHBondContact O-N 2.88Å; I153-T156 PolarHBondContact O-N 2.86Å; I153-V157 HydrophobicContact CG2-CG2 4.35Å; I153-V157 VanDerWaalsContact O-CG2 3.29Å; I153-V157 WeakPolarHBondContact O-CG2 3.32Å; I153-V157 PolarHBondContact O-N 2.86Å
154L96Very high92.6Very high0 Ų049.5 Ų49.50%028%0.275CS..Hα-helixtrans-60.3-45175.8-59.3170000111.2Y85 C151 Q152 Y158 L176 C179 M183 P265 Y267Y85-L154 HydrophobicContact CD1-CD1 4.31Å; Y85-L154 HydrophobicContact CD1-CD2 4.24Å; Y85-L154 HydrophobicContact CD1-CG 4.11Å; Y85-L154 HydrophobicContact CE1-CD1 3.76Å; Y85-L154 HydrophobicContact CE1-CD2 4.25Å; Y85-L154 HydrophobicContact CE1-CG 4.06Å; C151-L154 HydrophobicContact CB-CD1 4.28Å; C151-L154 VanDerWaalsContact O-CB 3.23Å; C151-L154 WeakPolarHBondContact O-CB 3.45Å; C151-L154 PolarHBondContact O-N 3.35Å; Q152-L154 VanDerWaalsContact C-N 3.27Å; Q152-L154 PolarHBondContact O-N 2.7Å; L154-Y158 WeakPolarHBondContact O-CB 3.48Å; L154-Y158 PolarHBondContact O-N 3.07Å; L154-L176 HydrophobicContact CB-CD1 4.35Å; L154-L176 HydrophobicContact CD2-CD1 4.1Å; L154-C179 HydrophobicContact CD2-CB 3.3Å; L154-M183 HydrophobicContact CD1-CB 4.35Å; L154-M183 HydrophobicContact CD1-CG 4.5Å; L154-M183 HydrophobicContact CD1-SD 4.02Å; L154-P265 HydrophobicContact CB-CG 4.2Å; L154-P265 HydrophobicContact CD1-CG 3.98Å; L154-Y267 WeakPolarHBondContact CB-OH 3.08Å
155E95.1Very high92.5Very high35 Ų3550 Ų5016%0.16428%0.28CS..Hα-helixtrans-62.6-43.9178.7-179.2173.9-160.100111.7C151 Q152 I153 Y158 K159 S266C151-E155 PolarHBondContact O-N 3Å; Q152-E155 PolarHBondContact O-N 2.96Å; I153-E155 VanDerWaalsContact C-N 3.33Å; I153-E155 PolarHBondContact O-N 2.88Å; E155-Y158 PolarHBondContact O-N 3.2Å; E155-K159 VanDerWaalsContact CD-NZ 3.31Å; E155-K159 HydrophobicContact CG-CD 4.14Å; E155-K159 HydrophobicContact CG-CG 4.45Å; E155-K159 WeakPolarHBondContact O-CG 3.26Å; E155-K159 PolarHBondContact O-N 3.27Å; E155-K159 WeakPolarHBondContact OE1-CE 3.3Å; E155-K159 IonicContact OE1-NZ 2.88Å; E155-K159 PolarHBondContact OE1-NZ 3.45Å; E155-S266 WeakPolarHBondContact OE1-CB 3.26Å; E155-S266 PolarHBondContact OE1-OG 3.25Å
156T95.4Very high92.5Very high11 Ų1150.4 Ų50.47%0.06728%0.28CS..Hα-helixtrans-62.7-50.5-179.7-57.30000110.7V139 I148 Q152 I153 Y158 K159 H160V139-T156 HydrophobicContact CG1-CG2 4.36Å; I148-T156 HydrophobicContact CD1-CG2 3.92Å; I148-T156 VanDerWaalsContact CD1-OG1 3.23Å; I148-T156 WeakPolarHBondContact CD1-OG1 3.31Å; Q152-T156 PolarHBondContact O-N 3.27Å; Q152-T156 PolarHBondContact O-OG1 3.48Å; I153-T156 PolarHBondContact O-N 2.86Å; T156-Y158 VanDerWaalsContact C-N 3.3Å; T156-Y158 PolarHBondContact O-N 3.4Å; T156-K159 PolarHBondContact O-N 3.43Å; T156-H160 PolarHBondContact O-CD2 3.06Å; T156-H160 PolarHBondContact O-N 3.21Å; T156-H160 VanDerWaalsContact O-N 3.15Å
157V95.9Very high92.4Very high0 Ų048.4 Ų48.40%028%0.278CS..Hα-helixtrans-62.1-39.8178.4178.90000111.1F89 V139 I153 H160 S161 L172 I175 L176F89-V157 HydrophobicContact CD2-CG2 3.74Å; F89-V157 HydrophobicContact CE2-CG2 3.67Å; V139-V157 HydrophobicContact CG1-CG2 4.23Å; I153-V157 HydrophobicContact CG2-CG2 4.35Å; I153-V157 VanDerWaalsContact O-CG2 3.29Å; I153-V157 WeakPolarHBondContact O-CG2 3.32Å; I153-V157 PolarHBondContact O-N 2.86Å; V157-H160 PolarHBondContact O-N 3.45Å; V157-S161 WeakPolarHBondContact O-CB 3.38Å; V157-S161 PolarHBondContact O-N 3.48Å; V157-L172 HydrophobicContact CG1-CB 4.4Å; V157-L172 WeakPolarHBondContact CG1-O 3.49Å; V157-I175 HydrophobicContact CG1-CB 4.43Å; V157-I175 HydrophobicContact CG1-CG2 4.25Å; V157-I175 HydrophobicContact CG2-CG2 4.48Å; V157-L176 HydrophobicContact CB-CD1 4.22Å; V157-L176 HydrophobicContact CG1-CB 3.88Å; V157-L176 HydrophobicContact CG1-CD1 4.23Å
158Y95.1Very high92.5Very high82 Ų8242.4 Ų42.432%0.32225%0.253SS..Hα-helixtrans-63.8-44.3176.8179.3-94.8000112.9L154 E155 T156 H160 S161 C162 L176 Y267L154-Y158 WeakPolarHBondContact O-CB 3.48Å; L154-Y158 PolarHBondContact O-N 3.07Å; E155-Y158 PolarHBondContact O-N 3.2Å; T156-Y158 VanDerWaalsContact C-N 3.3Å; T156-Y158 PolarHBondContact O-N 3.4Å; Y158-H160 VanDerWaalsContact C-N 3.29Å; Y158-H160 PolarHBondContact O-N 2.82Å; Y158-S161 PolarHBondContact O-N 2.87Å; Y158-S161 PolarHBondContact O-OG 2.79Å; Y158-C162 PolarHBondContact O-N 3.42Å; Y158-C162 PolarHBondContact O-SG 3.38Å; Y158-L176 HydrophobicContact CD2-CD2 3.84Å; Y158-Y267 AromaticContact CD1-CD1 3.5Å; Y158-Y267 HydrophobicContact CD1-CD1 3.5Å; Y158-Y267 HydrophobicContact CD1-CE1 4.26Å; Y158-Y267 HydrophobicContact CD1-CG 4.23Å; Y158-Y267 AromaticContact CD2-CD1 3.83Å; Y158-Y267 HydrophobicContact CD2-CD1 3.83Å; Y158-Y267 HydrophobicContact CD2-CE1 4.14Å; Y158-Y267 HydrophobicContact CD2-CG 4.29Å; Y158-Y267 AromaticContact CE1-CD1 3.9Å; Y158-Y267 HydrophobicContact CE1-CD1 3.9Å; Y158-Y267 HydrophobicContact CE1-CG 4.17Å; Y158-Y267 HydrophobicContact CE2-CD1 4.2Å; Y158-Y267 HydrophobicContact CE2-CG 4.23Å; Y158-Y267 AromaticContact CG-CD1 3.46Å; Y158-Y267 HydrophobicContact CG-CD1 3.46Å; Y158-Y267 VanDerWaalsContact CG-CD1 3.46Å; Y158-Y267 AromaticContact CG-CE1 3.8Å; Y158-Y267 HydrophobicContact CG-CE1 3.8Å; Y158-Y267 HydrophobicContact CG-CG 4.29Å
159K93.9Very high92.6Very high123 Ų12348 Ų4854%0.53527%0.273SS..Hα-helixtrans-60.5-40.7177.1-76.8177.1-178.4166.50111.5E155 T156E155-K159 VanDerWaalsContact CD-NZ 3.31Å; E155-K159 HydrophobicContact CG-CD 4.14Å; E155-K159 HydrophobicContact CG-CG 4.45Å; E155-K159 WeakPolarHBondContact O-CG 3.26Å; E155-K159 PolarHBondContact O-N 3.27Å; E155-K159 WeakPolarHBondContact OE1-CE 3.3Å; E155-K159 IonicContact OE1-NZ 2.88Å; E155-K159 PolarHBondContact OE1-NZ 3.45Å; T156-K159 PolarHBondContact O-N 3.43Å
160H93.3Very high92.6Very high58 Ų5848.1 Ų48.127%0.26928%0.28SS..Hα-helixtrans-75.1-30.4177.4-75.6-76.1000113.3V139 Q142 T156 V157 Y158 C162 G163 L172V139-H160 HydrophobicContact CG2-CB 3.81Å; Q142-H160 PolarHBondContact OE1-NE2 2.74Å; T156-H160 PolarHBondContact O-CD2 3.06Å; T156-H160 PolarHBondContact O-N 3.21Å; T156-H160 VanDerWaalsContact O-N 3.15Å; V157-H160 PolarHBondContact O-N 3.45Å; Y158-H160 VanDerWaalsContact C-N 3.29Å; Y158-H160 PolarHBondContact O-N 2.82Å; H160-C162 PolarHBondContact O-N 3.34Å; H160-G163 PolarHBondContact O-N 3.19Å; H160-G163 VanDerWaalsContact O-N 3.13Å; H160-L172 VanDerWaalsContact C-CD1 3.44Å; H160-L172 HydrophobicContact CB-CD1 3.67Å; H160-L172 WeakPolarHBondContact O-CD1 3.31Å
161S92.9Very high92.7Very high6 Ų648.4 Ų48.44%0.04228%0.282CS..Hα-helixtrans-68.6-23.3175.775.40000112.5V157 Y158 G163 R169V157-S161 WeakPolarHBondContact O-CB 3.38Å; V157-S161 PolarHBondContact O-N 3.48Å; Y158-S161 PolarHBondContact O-N 2.87Å; Y158-S161 PolarHBondContact O-OG 2.79Å; S161-G163 PolarHBondContact O-N 3.1Å; S161-G163 VanDerWaalsContact O-N 3.14Å; S161-R169 VanDerWaalsContact O-CG 3.29Å; S161-R169 WeakPolarHBondContact O-CG 3.23Å
162C89.8Confident92.8Very high82 Ų8248.5 Ų48.555%0.55428%0.283SS*.THydrogen-bonded Turntrans-69.5-0.4172.2-62.80000113.7Y158 H160Y158-C162 PolarHBondContact O-N 3.42Å; Y158-C162 PolarHBondContact O-SG 3.38Å; H160-C162 PolarHBondContact O-N 3.34Å
163G86.8Confident92.7Very high37 Ų3747.4 Ų47.438%0.38128%0.278SS..SBendtrans-63.7159.6174.500000114.3H160 S161 L165H160-G163 PolarHBondContact O-N 3.19Å; H160-G163 VanDerWaalsContact O-N 3.13Å; S161-G163 PolarHBondContact O-N 3.1Å; S161-G163 VanDerWaalsContact O-N 3.14Å; G163-L165 PolarHBondContact O-N 3.43Å
164G80.7Confident92.7Very high81 Ų8153.2 Ų53.284%0.83530%0.303SS*.SBendtrans-81.8-4.7-172.200000116.8P166G164-P166 WeakPolarHBondContact O-CD 3.46Å
165L91.1Very high92.7Very high73 Ų7353.2 Ų53.238%0.38230%0.303SS..  trans-92.7112.6-175.8-64.4176.1000110.9L131 G163 V168 R169L131-L165 HydrophobicContact CD1-CD1 3.81Å; L131-L165 HydrophobicContact CD2-CD1 4Å; L131-L165 HydrophobicContact CD2-CD2 4.14Å; L131-L165 HydrophobicContact CG-CD1 3.93Å; G163-L165 PolarHBondContact O-N 3.43Å; L165-V168 HydrophobicContact CB-CB 4.01Å; L165-V168 HydrophobicContact CB-CG2 3.87Å; L165-V168 HydrophobicContact CD1-CG2 4.06Å; L165-V168 PolarHBondContact O-N 3.24Å; L165-R169 WeakPolarHBondContact O-CB 3.45Å; L165-R169 PolarHBondContact O-N 2.89Å
166P91.8Very high92.7Very high96 Ų9652 Ų5262%0.62330%0.297SS*.Hα-helixtrans-58.6-42.2-172.9-23.232.4000115.6G164 V168 R169 S170G164-P166 WeakPolarHBondContact O-CD 3.46Å; P166-V168 PolarHBondContact O-N 3.32Å; P166-R169 PolarHBondContact O-N 3.48Å; P166-S170 WeakPolarHBondContact O-CB 3.29Å; P166-S170 PolarHBondContact O-N 2.89Å
167P90.8Very high92.7Very high78 Ų7852.7 Ų52.751%0.50630%0.304SS..Hα-helixtrans-65.4-39.5178.2-22.234.4000112.9A171P167-A171 WeakPolarHBondContact O-CB 3.39Å; P167-A171 PolarHBondContact O-N 2.94Å; P167-A171 VanDerWaalsContact O-N 3.09Å
168V93.2Very high92.6Very high11 Ų1155.4 Ų55.47%0.06732%0.321CS..Hα-helixtrans-67.1-46.9177.2179.40000110.2L132 L165 P166 S170 A171 L172L132-V168 HydrophobicContact CD1-CB 4.42Å; L132-V168 HydrophobicContact CD1-CG2 4.19Å; L165-V168 HydrophobicContact CB-CB 4.01Å; L165-V168 HydrophobicContact CB-CG2 3.87Å; L165-V168 HydrophobicContact CD1-CG2 4.06Å; L165-V168 PolarHBondContact O-N 3.24Å; P166-V168 PolarHBondContact O-N 3.32Å; V168-S170 PolarHBondContact O-N 3.02Å; V168-A171 PolarHBondContact O-N 3.41Å; V168-L172 HydrophobicContact CG1-CD1 3.89Å; V168-L172 HydrophobicContact CG1-CG 4.32Å; V168-L172 WeakPolarHBondContact O-CG 3.43Å; V168-L172 PolarHBondContact O-N 3.04Å
169R93.6Very high92.7Very high123 Ų12351.5 Ų51.546%0.46431%0.305SS..Hα-helixtrans-57.1-49.8176.7171.8168.8174.7-178.31.3111.3S161 L165 P166 A171 L172 E173S161-R169 VanDerWaalsContact O-CG 3.29Å; S161-R169 WeakPolarHBondContact O-CG 3.23Å; L165-R169 WeakPolarHBondContact O-CB 3.45Å; L165-R169 PolarHBondContact O-N 2.89Å; P166-R169 PolarHBondContact O-N 3.48Å; R169-A171 VanDerWaalsContact C-N 3.29Å; R169-A171 PolarHBondContact O-N 2.61Å; R169-L172 PolarHBondContact O-N 2.81Å; R169-E173 HydrophobicContact CG-CG 4.23Å; R169-E173 WeakPolarHBondContact CG-OE1 3.43Å; R169-E173 IonicContact CZ-OE1 3.06Å; R169-E173 IonicContact NE-OE1 3.43Å; R169-E173 PolarHBondContact NE-OE1 3.39Å; R169-E173 IonicContact NH2-OE1 2.75Å; R169-E173 PolarHBondContact NH2-OE1 3.14Å; R169-E173 WeakPolarHBondContact O-CB 3.46Å; R169-E173 VanDerWaalsContact O-CG 3.28Å; R169-E173 WeakPolarHBondContact O-CG 3.36Å; R169-E173 PolarHBondContact O-N 3.02Å
170S93.2Very high92.7Very high53 Ų5346 Ų4637%0.37128%0.282SS..Hα-helixtrans-59.2-39.7178.1-173.10000112.4P166 V168 K174P166-S170 WeakPolarHBondContact O-CB 3.29Å; P166-S170 PolarHBondContact O-N 2.89Å; V168-S170 PolarHBondContact O-N 3.02Å; S170-K174 WeakPolarHBondContact O-CG 3.19Å; S170-K174 PolarHBondContact O-N 3.48Å; S170-K174 VanDerWaalsContact O-N 3.14Å
171A94.3Very high92.8Very high7 Ų743.7 Ų43.76%0.05827%0.273CS..Hα-helixtrans-66.7-46.2176.200000112.6V96 L132 P167 V168 R169 K174 I175V96-A171 HydrophobicContact CG1-CB 3.76Å; V96-A171 HydrophobicContact CG2-CB 3.98Å; L132-A171 HydrophobicContact CD1-CB 3.59Å; P167-A171 WeakPolarHBondContact O-CB 3.39Å; P167-A171 PolarHBondContact O-N 2.94Å; P167-A171 VanDerWaalsContact O-N 3.09Å; V168-A171 PolarHBondContact O-N 3.41Å; R169-A171 VanDerWaalsContact C-N 3.29Å; R169-A171 PolarHBondContact O-N 2.61Å; A171-K174 WeakPolarHBondContact O-CB 3.42Å; A171-K174 PolarHBondContact O-N 3.28Å; A171-I175 WeakPolarHBondContact O-CG1 3.42Å; A171-I175 PolarHBondContact O-N 3.45Å; A171-I175 VanDerWaalsContact O-N 3.08Å
172L95.3Very high92.9Very high2 Ų244.6 Ų44.61%0.0128%0.278CS..Hα-helixtrans-68.3-34.6178.6-66.8176.7000112.2V136 V139 V157 H160 V168 R169 I175 L176V136-L172 HydrophobicContact CG2-CD2 4.39Å; V139-L172 HydrophobicContact CG2-CD2 4.06Å; V157-L172 HydrophobicContact CG1-CB 4.4Å; V157-L172 WeakPolarHBondContact CG1-O 3.49Å; H160-L172 VanDerWaalsContact C-CD1 3.44Å; H160-L172 HydrophobicContact CB-CD1 3.67Å; H160-L172 WeakPolarHBondContact O-CD1 3.31Å; V168-L172 HydrophobicContact CG1-CD1 3.89Å; V168-L172 HydrophobicContact CG1-CG 4.32Å; V168-L172 WeakPolarHBondContact O-CG 3.43Å; V168-L172 PolarHBondContact O-N 3.04Å; R169-L172 PolarHBondContact O-N 2.81Å; L172-I175 HydrophobicContact CD2-CD1 4.21Å; L172-I175 PolarHBondContact O-N 3.24Å; L172-L176 VanDerWaalsContact O-CB 3.27Å; L172-L176 WeakPolarHBondContact O-CB 3.38Å; L172-L176 PolarHBondContact O-N 3.38Å
173E94.2Very high93.2Very high37 Ų3740.7 Ų40.717%0.17325%0.252CS..Hα-helixtrans-62.6-40.5172.3-75.9171.5165.500111.5R169 L176 A177 L319R169-E173 HydrophobicContact CG-CG 4.23Å; R169-E173 WeakPolarHBondContact CG-OE1 3.43Å; R169-E173 IonicContact CZ-OE1 3.06Å; R169-E173 IonicContact NE-OE1 3.43Å; R169-E173 PolarHBondContact NE-OE1 3.39Å; R169-E173 IonicContact NH2-OE1 2.75Å; R169-E173 PolarHBondContact NH2-OE1 3.14Å; R169-E173 WeakPolarHBondContact O-CB 3.46Å; R169-E173 VanDerWaalsContact O-CG 3.28Å; R169-E173 WeakPolarHBondContact O-CG 3.36Å; R169-E173 PolarHBondContact O-N 3.02Å; E173-L176 PolarHBondContact O-N 3.07Å; E173-A177 WeakPolarHBondContact O-CB 3.49Å; E173-A177 PolarHBondContact O-N 3.2Å; E173-L319 HydrophobicContact CB-CD2 4.26Å; E173-L319 HydrophobicContact CG-CD2 3.98Å; E173-L319 WeakPolarHBondContact OE2-CD2 3.41Å
174K94.1Very high93.6Very high122 Ų12239.4 Ų39.453%0.5324%0.236SC..Hα-helixtrans-63-44.7173.4-72.5172.2-175.5-179.40112.2S170 A171 L176 A177 V178S170-K174 WeakPolarHBondContact O-CG 3.19Å; S170-K174 PolarHBondContact O-N 3.48Å; S170-K174 VanDerWaalsContact O-N 3.14Å; A171-K174 WeakPolarHBondContact O-CB 3.42Å; A171-K174 PolarHBondContact O-N 3.28Å; K174-L176 VanDerWaalsContact C-N 3.31Å; K174-L176 PolarHBondContact O-N 3.11Å; K174-A177 PolarHBondContact O-N 3.42Å; K174-V178 WeakPolarHBondContact O-CG2 3.45Å; K174-V178 PolarHBondContact O-N 3.21Å
175I95.6Very high94.2Very high0 Ų042.1 Ų42.10%022%0.224CC..Hα-helixtrans-60.7-45.8175.7-65.7165.2000109.8F89 L93 V96 V157 A171 L172 A177 V178 C179F89-I175 HydrophobicContact CD2-CG2 3.44Å; F89-I175 VanDerWaalsContact CD2-CG2 3.44Å; F89-I175 HydrophobicContact CE2-CG2 3.73Å; F89-I175 HydrophobicContact CG-CG2 4.32Å; L93-I175 HydrophobicContact CD1-CD1 4.5Å; V96-I175 HydrophobicContact CG2-CD1 3.89Å; V96-I175 HydrophobicContact CG2-CG1 3.74Å; V157-I175 HydrophobicContact CG1-CB 4.43Å; V157-I175 HydrophobicContact CG1-CG2 4.25Å; V157-I175 HydrophobicContact CG2-CG2 4.48Å; A171-I175 WeakPolarHBondContact O-CG1 3.42Å; A171-I175 PolarHBondContact O-N 3.45Å; A171-I175 VanDerWaalsContact O-N 3.08Å; L172-I175 HydrophobicContact CD2-CD1 4.21Å; L172-I175 PolarHBondContact O-N 3.24Å; I175-A177 VanDerWaalsContact C-N 3.34Å; I175-A177 PolarHBondContact O-N 3.45Å; I175-V178 PolarHBondContact O-N 3.48Å; I175-C179 PolarHBondContact O-N 2.96Å; I175-C179 VanDerWaalsContact O-N 3.1Å; I175-C179 PolarHBondContact O-SG 2.97Å; I175-C179 VanDerWaalsContact O-SG 3.38Å
176L95.4Very high94.4Very high9 Ų939 Ų395%0.04721%0.208CC..Hα-helixtrans-60.7-42.3179.3-172.863.6000111.9L154 V157 Y158 L172 E173 K174 V178 C179 H180L154-L176 HydrophobicContact CB-CD1 4.35Å; L154-L176 HydrophobicContact CD2-CD1 4.1Å; V157-L176 HydrophobicContact CB-CD1 4.22Å; V157-L176 HydrophobicContact CG1-CB 3.88Å; V157-L176 HydrophobicContact CG1-CD1 4.23Å; Y158-L176 HydrophobicContact CD2-CD2 3.84Å; L172-L176 VanDerWaalsContact O-CB 3.27Å; L172-L176 WeakPolarHBondContact O-CB 3.38Å; L172-L176 PolarHBondContact O-N 3.38Å; E173-L176 PolarHBondContact O-N 3.07Å; K174-L176 VanDerWaalsContact C-N 3.31Å; K174-L176 PolarHBondContact O-N 3.11Å; L176-V178 VanDerWaalsContact C-N 3.34Å; L176-V178 PolarHBondContact O-N 3Å; L176-C179 PolarHBondContact O-N 2.9Å; L176-H180 PolarHBondContact O-N 2.81Å
177A95.1Very high94.5Very high27 Ų2734.5 Ų34.522%0.22318%0.179CC..Hα-helixtrans-60.7-40.4177.400000112.4E173 K174 I175 H180 G181E173-A177 WeakPolarHBondContact O-CB 3.49Å; E173-A177 PolarHBondContact O-N 3.2Å; K174-A177 PolarHBondContact O-N 3.42Å; I175-A177 VanDerWaalsContact C-N 3.34Å; I175-A177 PolarHBondContact O-N 3.45Å; A177-H180 PolarHBondContact O-N 3.42Å; A177-G181 PolarHBondContact O-N 3.16Å
178V95.5Very high94.6Very high56 Ų5632.5 Ų32.534%0.33917%0.166SC..Hα-helixtrans-63.5-43.9174.8177.20000110.8A88 T91 K174 I175 L176 G181A88-V178 HydrophobicContact CB-CG1 4.31Å; A88-V178 WeakPolarHBondContact O-CG1 3.2Å; T91-V178 HydrophobicContact CG2-CG1 4.45Å; K174-V178 WeakPolarHBondContact O-CG2 3.45Å; K174-V178 PolarHBondContact O-N 3.21Å; I175-V178 PolarHBondContact O-N 3.48Å; L176-V178 VanDerWaalsContact C-N 3.34Å; L176-V178 PolarHBondContact O-N 3Å; V178-G181 WeakPolarHBondContact O-CA 3.46Å; V178-G181 PolarHBondContact O-N 3.23Å; V178-G181 VanDerWaalsContact O-N 3.14Å
179C95.6Very high94.5Very high0 Ų032.4 Ų32.40%017%0.167CC..Hα-helixtrans-67-39.4176.8-62.20000112.7L154 I175 L176 G181 V182 M183L154-C179 HydrophobicContact CD2-CB 3.3Å; I175-C179 PolarHBondContact O-N 2.96Å; I175-C179 VanDerWaalsContact O-N 3.1Å; I175-C179 PolarHBondContact O-SG 2.97Å; I175-C179 VanDerWaalsContact O-SG 3.38Å; L176-C179 PolarHBondContact O-N 2.9Å; C179-G181 PolarHBondContact O-N 3.2Å; C179-V182 WeakPolarHBondContact O-CB 3.3Å; C179-V182 PolarHBondContact O-N 3.45Å; C179-M183 PolarHBondContact O-N 3.31Å
180H95.3Very high94.5Very high9 Ų926.6 Ų26.64%0.04215%0.145CC..Hα-helixtrans-60.5-30.2171.2-75.8153.5000111.8L176 A177 V182 M183 Y184 Y267 F320L176-H180 PolarHBondContact O-N 2.81Å; A177-H180 PolarHBondContact O-N 3.42Å; H180-V182 PolarHBondContact O-N 2.87Å; H180-M183 WeakPolarHBondContact O-CB 3.23Å; H180-M183 PolarHBondContact O-N 2.72Å; H180-M183 VanDerWaalsContact O-N 3.08Å; H180-Y184 HydrophobicContact CB-CD2 4.24Å; H180-Y184 HydrophobicContact CB-CE2 4.14Å; H180-Y184 WeakPolarHBondContact O-CD2 3.4Å; H180-Y184 PolarHBondContact O-N 2.99Å; H180-Y267 AromaticContact NE2-CE2 3.89Å; H180-Y267 AromaticContact NE2-CZ 3.57Å; H180-Y267 PolarHBondContact NE2-OH 3.23Å; H180-F320 AromaticContact CE1-CD2 3.84Å; H180-F320 AromaticContact CE1-CG 3.75Å
181G94.6Very high94.4Very high9 Ų924 Ų249%0.09313%0.127CC..Hα-helixtrans-56.8-31.2172.400000114.1A177 V178 C179 K185A177-G181 PolarHBondContact O-N 3.16Å; V178-G181 WeakPolarHBondContact O-CA 3.46Å; V178-G181 PolarHBondContact O-N 3.23Å; V178-G181 VanDerWaalsContact O-N 3.14Å; C179-G181 PolarHBondContact O-N 3.2Å; G181-K185 PolarHBondContact O-N 3.16Å
182V95.2Very high94.2Very high24 Ų2423.9 Ų23.915%0.14513%0.125CC..Hα-helixtrans-74.5-45.4172.3-179.10000110.8I84 Y85 A88 C179 H180 Y184 K185 Q186I84-V182 HydrophobicContact CB-CG1 4.35Å; I84-V182 HydrophobicContact CD1-CG1 3.42Å; I84-V182 VanDerWaalsContact CD1-CG1 3.42Å; I84-V182 HydrophobicContact CG1-CG1 3.72Å; Y85-V182 HydrophobicContact CD1-CB 4.33Å; Y85-V182 HydrophobicContact CD1-CG1 4.38Å; Y85-V182 HydrophobicContact CD2-CG1 4.37Å; Y85-V182 HydrophobicContact CE1-CB 4.03Å; Y85-V182 HydrophobicContact CE1-CG1 4.07Å; Y85-V182 HydrophobicContact CE2-CG1 4.08Å; A88-V182 HydrophobicContact CB-CG2 3.48Å; A88-V182 VanDerWaalsContact CB-CG2 3.48Å; C179-V182 WeakPolarHBondContact O-CB 3.3Å; C179-V182 PolarHBondContact O-N 3.45Å; H180-V182 PolarHBondContact O-N 2.87Å; V182-Y184 PolarHBondContact O-N 3.45Å; V182-K185 WeakPolarHBondContact O-CB 3.24Å; V182-K185 PolarHBondContact O-N 3.47Å; V182-K185 VanDerWaalsContact O-N 3.08Å; V182-Q186 PolarHBondContact O-N 3.29Å
183M95.5Very high93.7Very high0 Ų028.2 Ų28.20%015%0.145CC..Hα-helixtrans-57.5-47.4176.8-173.2-171.873.100111.7Y85 L154 C179 H180 K185 Q186 L187 I268 F320Y85-M183 HydrophobicContact CE1-CB 4.24Å; Y85-M183 VanDerWaalsContact OH-CA 3.28Å; Y85-M183 WeakPolarHBondContact OH-CA 3.38Å; L154-M183 HydrophobicContact CD1-CB 4.35Å; L154-M183 HydrophobicContact CD1-CG 4.5Å; L154-M183 HydrophobicContact CD1-SD 4.02Å; C179-M183 PolarHBondContact O-N 3.31Å; H180-M183 WeakPolarHBondContact O-CB 3.23Å; H180-M183 PolarHBondContact O-N 2.72Å; H180-M183 VanDerWaalsContact O-N 3.08Å; M183-K185 VanDerWaalsContact C-N 3.27Å; M183-K185 PolarHBondContact O-N 3.28Å; M183-Q186 PolarHBondContact O-N 3.36Å; M183-L187 HydrophobicContact CE-CD1 4.2Å; M183-L187 HydrophobicContact CG-CD1 3.96Å; M183-L187 HydrophobicContact CG-CG 4.46Å; M183-L187 WeakPolarHBondContact O-CB 3.21Å; M183-L187 VanDerWaalsContact O-CG 3.28Å; M183-L187 WeakPolarHBondContact O-CG 3.24Å; M183-L187 PolarHBondContact O-N 3.16Å; M183-I268 HydrophobicContact CE-CD1 4.38Å; M183-I268 HydrophobicContact SD-CD1 3.83Å; M183-F320 HydrophobicContact CE-CE2 4.28Å
184Y95.7Very high93.3Very high10 Ų1026.7 Ų26.74%0.03914%0.14CC..Hα-helixtrans-62.6-33.2176.3-77.6-63.5000112.7H180 V182 L187 S188 L311 L314 K315 F325H180-Y184 HydrophobicContact CB-CD2 4.24Å; H180-Y184 HydrophobicContact CB-CE2 4.14Å; H180-Y184 WeakPolarHBondContact O-CD2 3.4Å; H180-Y184 PolarHBondContact O-N 2.99Å; V182-Y184 PolarHBondContact O-N 3.45Å; Y184-L187 HydrophobicContact CD1-CD1 4.34Å; Y184-S188 WeakPolarHBondContact O-CB 3.37Å; Y184-S188 PolarHBondContact O-N 3.4Å; Y184-S188 PolarHBondContact O-OG 3.45Å; Y184-L311 HydrophobicContact CD1-CD2 4.34Å; Y184-L314 HydrophobicContact CE1-CB 3.75Å; Y184-L314 HydrophobicContact CE1-CD1 4.01Å; Y184-L314 HydrophobicContact CE2-CB 4.42Å; Y184-K315 HydrophobicContact CD2-CB 3.85Å; Y184-K315 HydrophobicContact CD2-CG 4.41Å; Y184-K315 HydrophobicContact CG-CB 4.11Å; Y184-F325 AromaticContact CE1-CD2 3.84Å; Y184-F325 HydrophobicContact CE1-CD2 3.84Å; Y184-F325 AromaticContact CE1-CE2 3.98Å; Y184-F325 HydrophobicContact CE1-CE2 3.98Å
185K93.7Very high93Very high138 Ų13825.7 Ų25.760%0.614%0.139SC*.Hα-helixtrans-66.2-47.9174.9-173.9179.3178.9-178.30110.8G181 V182 M183 S188 A189G181-K185 PolarHBondContact O-N 3.16Å; V182-K185 WeakPolarHBondContact O-CB 3.24Å; V182-K185 PolarHBondContact O-N 3.47Å; V182-K185 VanDerWaalsContact O-N 3.08Å; M183-K185 VanDerWaalsContact C-N 3.27Å; M183-K185 PolarHBondContact O-N 3.28Å; K185-S188 PolarHBondContact O-N 3.27Å; K185-S188 PolarHBondContact O-OG 2.95Å; K185-A189 PolarHBondContact O-N 3.19Å
186Q94.3Very high92.7Very high9 Ų928 Ų284%0.04215%0.152CC..Hα-helixtrans-61.8-43.6175.4-71.1-175.1-49.900111.6Y85 V182 M183 S188 A189 W190 L197 F203Y85-Q186 VanDerWaalsContact CE2-OE1 3.28Å; Y85-Q186 PolarHBondContact OH-OE1 2.85Å; V182-Q186 PolarHBondContact O-N 3.29Å; M183-Q186 PolarHBondContact O-N 3.36Å; Q186-S188 PolarHBondContact O-N 3.34Å; Q186-A189 PolarHBondContact O-N 3.08Å; Q186-W190 WeakPolarHBondContact O-CB 3.42Å; Q186-W190 PolarHBondContact O-N 3.4Å; Q186-L197 PolarHBondContact NE2-O 3.25Å; Q186-F203 HydrophobicContact CB-CD2 4.04Å; Q186-F203 HydrophobicContact CB-CE2 4.05Å; Q186-F203 HydrophobicContact CB-CG 4.37Å; Q186-F203 HydrophobicContact CB-CZ 4.37Å; Q186-F203 VanDerWaalsContact OE1-CD2 3.31Å
187L94.8Very high92.4Very high1 Ų132.3 Ų32.31%0.00517%0.174CC..Hα-helixtrans-60.3-44.6175.4-74.6168.5000112.6M183 Y184 A189 W190 M191 F203 F204 I276 F325M183-L187 HydrophobicContact CE-CD1 4.2Å; M183-L187 HydrophobicContact CG-CD1 3.96Å; M183-L187 HydrophobicContact CG-CG 4.46Å; M183-L187 WeakPolarHBondContact O-CB 3.21Å; M183-L187 VanDerWaalsContact O-CG 3.28Å; M183-L187 WeakPolarHBondContact O-CG 3.24Å; M183-L187 PolarHBondContact O-N 3.16Å; Y184-L187 HydrophobicContact CD1-CD1 4.34Å; L187-A189 VanDerWaalsContact C-N 3.34Å; L187-A189 PolarHBondContact O-N 3.1Å; L187-W190 PolarHBondContact O-N 3.03Å; L187-M191 HydrophobicContact CD2-SD 4.22Å; L187-M191 VanDerWaalsContact O-CB 3.26Å; L187-M191 WeakPolarHBondContact O-CB 3.37Å; L187-M191 WeakPolarHBondContact O-CG 3.34Å; L187-M191 PolarHBondContact O-N 3.38Å; L187-F203 HydrophobicContact CD2-CE2 4.36Å; L187-F203 HydrophobicContact CD2-CZ 3.86Å; L187-F203 HydrophobicContact CG-CE2 4.38Å; L187-F203 HydrophobicContact CG-CZ 4.24Å; L187-F204 HydrophobicContact CD2-CZ 4.15Å; L187-I276 HydrophobicContact CD2-CD1 3.83Å; L187-I276 HydrophobicContact CD2-CG1 4.27Å; L187-I276 HydrophobicContact CD2-CG2 3.48Å; L187-I276 VanDerWaalsContact CD2-CG2 3.48Å; L187-F325 HydrophobicContact CD1-CE2 3.75Å; L187-F325 HydrophobicContact CD1-CZ 3.91Å
188S92.8Very high92Very high35 Ų3532 Ų3225%0.24517%0.168CC..Hα-helixtrans-65.2-37.2177.666.90000112.6Y184 K185 Q186 L192 H193Y184-S188 WeakPolarHBondContact O-CB 3.37Å; Y184-S188 PolarHBondContact O-N 3.4Å; Y184-S188 PolarHBondContact O-OG 3.45Å; K185-S188 PolarHBondContact O-N 3.27Å; K185-S188 PolarHBondContact O-OG 2.95Å; Q186-S188 PolarHBondContact O-N 3.34Å; S188-L192 WeakPolarHBondContact O-CB 3.45Å; S188-L192 WeakPolarHBondContact O-CG 3.39Å; S188-L192 PolarHBondContact O-N 3.07Å; S188-H193 PolarHBondContact O-ND1 3.1Å
189A91.3Very high91.5Very high9 Ų937.7 Ų37.77%0.07419%0.192CC..Hα-helixtrans-67.2-43.7176.900000110.9K185 Q186 L187 H193 G194 L195 L197K185-A189 PolarHBondContact O-N 3.19Å; Q186-A189 PolarHBondContact O-N 3.08Å; L187-A189 VanDerWaalsContact C-N 3.34Å; L187-A189 PolarHBondContact O-N 3.1Å; A189-H193 CarbonylContact O-C 3.54Å; A189-H193 WeakPolarHBondContact O-CA 3.35Å; A189-H193 WeakPolarHBondContact O-CB 3Å; A189-H193 PolarHBondContact O-N 3.29Å; A189-G194 PolarHBondContact O-N 2.88Å; A189-L195 CarbonylContact C-O 3.48Å; A189-L195 PolarHBondContact O-N 2.65Å; A189-L195 VanDerWaalsContact O-N 3.08Å; A189-L197 HydrophobicContact CB-CD1 3.58Å; A189-L197 HydrophobicContact CB-CG 3.96Å
190W93.1Very high91Very high1 Ų139.9 Ų39.90%0.00420%0.202CC..Hα-helixtrans-71.4-53.6-179.8178.7-113.4000112.9Q186 L187 G194 L195 L196 I205 F257 I276 L277 G280 E281 Q284Q186-W190 WeakPolarHBondContact O-CB 3.42Å; Q186-W190 PolarHBondContact O-N 3.4Å; L187-W190 PolarHBondContact O-N 3.03Å; W190-G194 WeakPolarHBondContact O-CA 3.37Å; W190-G194 PolarHBondContact O-N 3.36Å; W190-L195 PolarHBondContact N-O 3.26Å; W190-L196 HydrophobicContact CE3-CB 4.11Å; W190-L196 HydrophobicContact CE3-CD1 4.49Å; W190-L196 HydrophobicContact CZ3-CB 4.22Å; W190-L196 HydrophobicContact CZ3-CD1 4.41Å; W190-I205 HydrophobicContact CD2-CD1 4.46Å; W190-I205 HydrophobicContact CG-CD1 4.26Å; W190-I205 HydrophobicContact CZ2-CG2 4.2Å; W190-F257 HydrophobicContact CH2-CB 4.49Å; W190-F257 AromaticContact CH2-CD1 3.63Å; W190-F257 HydrophobicContact CH2-CD1 3.63Å; W190-F257 AromaticContact CH2-CD2 3.87Å; W190-F257 HydrophobicContact CH2-CD2 3.87Å; W190-F257 AromaticContact CH2-CE1 3.68Å; W190-F257 HydrophobicContact CH2-CE1 3.68Å; W190-F257 AromaticContact CH2-CE2 3.91Å; W190-F257 HydrophobicContact CH2-CE2 3.91Å; W190-F257 AromaticContact CH2-CG 3.73Å; W190-F257 HydrophobicContact CH2-CG 3.73Å; W190-F257 AromaticContact CH2-CZ 3.81Å; W190-F257 HydrophobicContact CH2-CZ 3.81Å; W190-F257 HydrophobicContact CZ2-CD1 4.4Å; W190-F257 HydrophobicContact CZ2-CG 4.3Å; W190-F257 HydrophobicContact CZ3-CD1 4.15Å; W190-F257 AromaticContact CZ3-CE1 3.81Å; W190-F257 HydrophobicContact CZ3-CE1 3.81Å; W190-F257 HydrophobicContact CZ3-CE2 4.5Å; W190-F257 AromaticContact CZ3-CZ 4Å; W190-F257 HydrophobicContact CZ3-CZ 4Å; W190-I276 PolarHBondContact NE1-O 3.39Å; W190-L277 HydrophobicContact CZ2-CD1 4.4Å; W190-G280 WeakPolarHBondContact O-CA 3.42Å; W190-E281 HydrophobicContact CZ2-CG 4.22Å; W190-E281 VanDerWaalsContact CZ2-N 3.3Å; W190-Q284 HydrophobicContact CH2-CB 4.48Å; W190-Q284 HydrophobicContact CZ3-CB 4.36Å
191M91.6Very high90.7Very high0 Ų046 Ų460%023%0.23CC..Hα-helixtrans-76.3-26.2-172.2-65.8-17972.300114L187 I276 V279 V329 I332L187-M191 HydrophobicContact CD2-SD 4.22Å; L187-M191 VanDerWaalsContact O-CB 3.26Å; L187-M191 WeakPolarHBondContact O-CB 3.37Å; L187-M191 WeakPolarHBondContact O-CG 3.34Å; L187-M191 PolarHBondContact O-N 3.38Å; M191-I276 HydrophobicContact CE-CG1 4.44Å; M191-I276 HydrophobicContact CG-CG2 4Å; M191-I276 HydrophobicContact SD-CB 4.45Å; M191-I276 HydrophobicContact SD-CG1 4.05Å; M191-I276 HydrophobicContact SD-CG2 4.01Å; M191-V279 HydrophobicContact CB-CG1 3.77Å; M191-V279 HydrophobicContact CE-CB 4.15Å; M191-V279 HydrophobicContact CE-CG1 3.9Å; M191-V279 HydrophobicContact CE-CG2 4.2Å; M191-V279 HydrophobicContact CG-CG1 4.02Å; M191-V279 WeakPolarHBondContact O-CG1 3.4Å; M191-V329 HydrophobicContact CE-CB 4.49Å; M191-V329 HydrophobicContact CE-CG1 4.19Å; M191-V329 HydrophobicContact CE-CG2 4.32Å; M191-I332 HydrophobicContact CE-CB 3.99Å; M191-I332 HydrophobicContact CE-CD1 3.81Å; M191-I332 HydrophobicContact CE-CG2 3.92Å
192L89.3Confident90.6Very high4 Ų445.6 Ų45.62%0.02123%0.226CC..Hα-helixtrans-99.7-29.4-178.6-51.5-179.6000112.7S188 L300 F307 A308 L311S188-L192 WeakPolarHBondContact O-CB 3.45Å; S188-L192 WeakPolarHBondContact O-CG 3.39Å; S188-L192 PolarHBondContact O-N 3.07Å; L192-L300 HydrophobicContact CB-CD1 4.35Å; L192-L300 HydrophobicContact CD2-CD1 3.8Å; L192-F307 HydrophobicContact CD2-CB 3.64Å; L192-F307 HydrophobicContact CD2-CD2 4.49Å; L192-F307 HydrophobicContact CD2-CG 4.48Å; L192-A308 HydrophobicContact CD1-CB 3.89Å; L192-L311 HydrophobicContact CD1-CD1 4.27Å; L192-L311 HydrophobicContact CG-CD1 4.44Å
193H86.2Confident90.6Very high93 Ų9344.6 Ų44.643%0.43122%0.22SC..Hα-helixtrans-126.1-2.4-173.7-47.896.9000113.8S188 A189 L195S188-H193 PolarHBondContact O-ND1 3.1Å; A189-H193 CarbonylContact O-C 3.54Å; A189-H193 WeakPolarHBondContact O-CA 3.35Å; A189-H193 WeakPolarHBondContact O-CB 3Å; A189-H193 PolarHBondContact O-N 3.29Å; H193-L195 HydrophobicContact CB-CD1 4.09Å; H193-L195 HydrophobicContact CB-CG 4Å; H193-L195 PolarHBondContact O-N 2.89Å
194G85.7Confident90.5Very high5 Ų544.7 Ų44.75%0.05222%0.22CC..  trans66.816.3-177.500000114.1A189 W190 Q284A189-G194 PolarHBondContact O-N 2.88Å; W190-G194 WeakPolarHBondContact O-CA 3.37Å; W190-G194 PolarHBondContact O-N 3.36Å; G194-Q284 VanDerWaalsContact O-CG 3.3Å; G194-Q284 WeakPolarHBondContact O-CG 3.37Å
195L87.8Confident90.4Very high100 Ų10044.2 Ų44.252%0.52422%0.218SC..  trans-96.4118-175.8-63.4178.2000110.9A189 W190 H193 L197A189-L195 CarbonylContact C-O 3.48Å; A189-L195 PolarHBondContact O-N 2.65Å; A189-L195 VanDerWaalsContact O-N 3.08Å; W190-L195 PolarHBondContact N-O 3.26Å; H193-L195 HydrophobicContact CB-CD1 4.09Å; H193-L195 HydrophobicContact CB-CG 4Å; H193-L195 PolarHBondContact O-N 2.89Å; L195-L197 PolarHBondContact O-N 3.26Å
196L89.4Confident90.3Very high50 Ų5041.9 Ų41.926%0.26221%0.208SC..  trans-89.391.7175.8-164.6142.2000110W190 D198 I205 F257W190-L196 HydrophobicContact CE3-CB 4.11Å; W190-L196 HydrophobicContact CE3-CD1 4.49Å; W190-L196 HydrophobicContact CZ3-CB 4.22Å; W190-L196 HydrophobicContact CZ3-CD1 4.41Å; L196-D198 HydrophobicContact CD2-CB 3.56Å; L196-D198 HydrophobicContact CG-CB 4.42Å; L196-D198 PolarHBondContact O-N 3.13Å; L196-I205 HydrophobicContact CD1-CB 4.26Å; L196-I205 HydrophobicContact CD1-CG2 3.73Å; L196-F257 HydrophobicContact CD1-CD1 3.95Å; L196-F257 HydrophobicContact CD1-CE1 4.02Å
197L87.3Confident89.9Confident99 Ų9946 Ų4652%0.51823%0.228SC..  trans-86.679178.1-58.2179.2000110.5Q186 A189 L195Q186-L197 PolarHBondContact NE2-O 3.25Å; A189-L197 HydrophobicContact CB-CD1 3.58Å; A189-L197 HydrophobicContact CB-CG 3.96Å; L195-L197 PolarHBondContact O-N 3.26Å
198D87.9Confident88.9Confident19 Ų1946.4 Ų46.410%0.10223%0.231CC..  trans-14364.6-173.6-163.529.7000113.9L196 H200 E201 E202 F203 R260L196-D198 HydrophobicContact CD2-CB 3.56Å; L196-D198 HydrophobicContact CG-CB 4.42Å; L196-D198 PolarHBondContact O-N 3.13Å; D198-H200 PolarHBondContact O-N 2.87Å; D198-E201 PolarHBondContact O-N 2.89Å; D198-E201 PolarHBondContact OD1-N 2.99Å; D198-E201 VanDerWaalsContact OD2-C 3.31Å; D198-E201 VanDerWaalsContact OD2-CA 3.23Å; D198-E201 WeakPolarHBondContact OD2-CA 3.34Å; D198-E202 VanDerWaalsContact CG-N 3.3Å; D198-E202 PolarHBondContact OD1-N 3.26Å; D198-E202 PolarHBondContact OD2-N 3.04Å; D198-E202 VanDerWaalsContact OD2-N 3.11Å; D198-F203 HydrophobicContact CB-CB 4.22Å; D198-F203 PolarHBondContact OD1-N 3.24Å; D198-F203 WeakPolarHBondContact OD2-CB 3.23Å; D198-F203 PolarHBondContact OD2-N 3.1Å; D198-R260 IonicContact OD2-CZ 2.66Å; D198-R260 IonicContact OD2-NH2 3.24Å; D198-R260 PolarHBondContact OD2-NH2 3.12Å
199Q84.5Confident87.3Confident177 Ų17748.9 Ų48.983%0.82725%0.247SC*.THydrogen-bonded Turntrans-60.2-29.3-177.6-174.5177.84.400113.9
200H85.3Confident85.2Confident46 Ų4651.5 Ų51.521%0.21326%0.264CS..THydrogen-bonded Turntrans-10915-175.7-61.2-59.8000113H82 H149 D198 E202H82-H200 AromaticContact CD2-CG 3.93Å; H82-H200 AromaticContact CD2-ND1 3.53Å; H82-H200 AromaticContact NE2-ND1 4Å; H149-H200 PolarHBondContact NE2-O 3.2Å; D198-H200 PolarHBondContact O-N 2.87Å; H200-E202 VanDerWaalsContact C-N 3.28Å; H200-E202 HydrophobicContact CB-CG 3.87Å; H200-E202 VanDerWaalsContact CB-OE2 3.31Å; H200-E202 WeakPolarHBondContact CB-OE2 3.39Å; H200-E202 IonicContact CD2-OE2 3.88Å; H200-E202 IonicContact CG-OE2 3.48Å; H200-E202 PolarHBondContact O-N 3.29Å
201E89.3Confident82.7Confident136 Ų13657.4 Ų57.464%0.63631%0.306SS*.SBendtrans59.337.2175.1-78.1-168.2-166.400114.1D198 R260D198-E201 PolarHBondContact O-N 2.89Å; D198-E201 PolarHBondContact OD1-N 2.99Å; D198-E201 VanDerWaalsContact OD2-C 3.31Å; D198-E201 VanDerWaalsContact OD2-CA 3.23Å; D198-E201 WeakPolarHBondContact OD2-CA 3.34Å; E201-R260 VanDerWaalsContact CG-NH1 3.34Å; E201-R260 PolarHBondContact O-NH1 3.39Å; E201-R260 IonicContact OE2-NH1 3.58Å
202E91.9Very high80.1Confident1 Ų159.8 Ų59.81%0.00533%0.331CS..  trans-94.4-15.7-173.3-69.8178.784.200113.8G83 I84 Y85 H149 C151 D198 H200G83-E202 WeakPolarHBondContact CA-OE1 3.4Å; G83-E202 WeakPolarHBondContact CA-OE2 3.38Å; I84-E202 WeakPolarHBondContact CG1-OE2 3.45Å; I84-E202 VanDerWaalsContact N-CD 3.3Å; I84-E202 PolarHBondContact N-OE1 3.06Å; I84-E202 PolarHBondContact N-OE2 2.66Å; Y85-E202 HydrophobicContact CD2-CB 3.81Å; Y85-E202 HydrophobicContact CD2-CG 4.43Å; Y85-E202 WeakPolarHBondContact CD2-OE1 3.46Å; Y85-E202 HydrophobicContact CE2-CB 3.99Å; Y85-E202 PolarHBondContact N-OE1 3.13Å; H149-E202 WeakPolarHBondContact NE2-CG 3.49Å; C151-E202 PolarHBondContact N-O 3.35Å; C151-E202 VanDerWaalsContact N-O 3.12Å; C151-E202 PolarHBondContact SG-O 3.44Å; C151-E202 VanDerWaalsContact SG-O 3.32Å; D198-E202 VanDerWaalsContact CG-N 3.3Å; D198-E202 PolarHBondContact OD1-N 3.26Å; D198-E202 PolarHBondContact OD2-N 3.04Å; D198-E202 VanDerWaalsContact OD2-N 3.11Å; H200-E202 VanDerWaalsContact C-N 3.28Å; H200-E202 HydrophobicContact CB-CG 3.87Å; H200-E202 VanDerWaalsContact CB-OE2 3.31Å; H200-E202 WeakPolarHBondContact CB-OE2 3.39Å; H200-E202 IonicContact CD2-OE2 3.88Å; H200-E202 IonicContact CG-OE2 3.48Å; H200-E202 PolarHBondContact O-N 3.29Å
203F94.9Very high77.2Confident4 Ų467.3 Ų67.32%0.01837%0.371CS..SBendtrans-95.6142.1-175.3-168-129.6000112.2Q186 L187 D198 I205 R260 I263Q186-F203 HydrophobicContact CB-CD2 4.04Å; Q186-F203 HydrophobicContact CB-CE2 4.05Å; Q186-F203 HydrophobicContact CB-CG 4.37Å; Q186-F203 HydrophobicContact CB-CZ 4.37Å; Q186-F203 VanDerWaalsContact OE1-CD2 3.31Å; L187-F203 HydrophobicContact CD2-CE2 4.36Å; L187-F203 HydrophobicContact CD2-CZ 3.86Å; L187-F203 HydrophobicContact CG-CE2 4.38Å; L187-F203 HydrophobicContact CG-CZ 4.24Å; D198-F203 HydrophobicContact CB-CB 4.22Å; D198-F203 PolarHBondContact OD1-N 3.24Å; D198-F203 WeakPolarHBondContact OD2-CB 3.23Å; D198-F203 PolarHBondContact OD2-N 3.1Å; F203-I205 HydrophobicContact CD1-CB 3.82Å; F203-I205 HydrophobicContact CD1-CG1 4.17Å; F203-I205 HydrophobicContact CE1-CB 3.86Å; F203-I205 HydrophobicContact CE1-CD1 3.8Å; F203-I205 HydrophobicContact CE1-CG1 3.77Å; F203-I205 HydrophobicContact CZ-CD1 4.35Å; F203-I205 HydrophobicContact CZ-CG1 4.43Å; F203-I205 PolarHBondContact O-N 3.21Å; F203-I205 VanDerWaalsContact O-O 3.14Å; F203-R260 VanDerWaalsContact O-CZ 3.27Å; F203-R260 PolarHBondContact O-NE 3.48Å; F203-R260 PolarHBondContact O-NH2 3.32Å; F203-I263 VanDerWaalsContact C-CD1 3.46Å; F203-I263 VanDerWaalsContact O-CD1 3.24Å; F203-I263 WeakPolarHBondContact O-CD1 3.46Å
204F94.7Very high74.5Confident1 Ų168.9 Ų68.90%0.00439%0.387CS..SBendtrans-67.30.2-176.360.8-101.9000115L187 L259 R260 I263 L264 A273 I276L187-F204 HydrophobicContact CD2-CZ 4.15Å; F204-L259 HydrophobicContact CD2-CD2 4.22Å; F204-L259 CarbonylContact O-C 3.55Å; F204-L259 WeakPolarHBondContact O-CA 3.42Å; F204-R260 PolarHBondContact O-N 3.48Å; F204-I263 HydrophobicContact CB-CG1 4.12Å; F204-L264 HydrophobicContact CB-CB 4.24Å; F204-L264 HydrophobicContact CB-CD1 4.14Å; F204-L264 HydrophobicContact CD1-CD1 3.94Å; F204-L264 HydrophobicContact CD2-CD1 3.98Å; F204-L264 HydrophobicContact CE1-CD1 4.33Å; F204-L264 HydrophobicContact CE2-CD1 4.38Å; F204-L264 HydrophobicContact CG-CD1 3.75Å; F204-A273 HydrophobicContact CD2-CB 4.34Å; F204-A273 HydrophobicContact CE2-CB 4.14Å; F204-I276 HydrophobicContact CE2-CD1 4.48Å; F204-I276 HydrophobicContact CE2-CG2 4.4Å; F204-I276 HydrophobicContact CZ-CD1 4.1Å
205I93.8Very high71.6Confident0 Ų073.7 Ų73.70%042%0.42CS..EExtended strand (participates in β ladder)trans-107.3131168.7-57.4-175.5000108.1W190 L196 F203 F257 L259 R260 I276 L277W190-I205 HydrophobicContact CD2-CD1 4.46Å; W190-I205 HydrophobicContact CG-CD1 4.26Å; W190-I205 HydrophobicContact CZ2-CG2 4.2Å; L196-I205 HydrophobicContact CD1-CB 4.26Å; L196-I205 HydrophobicContact CD1-CG2 3.73Å; F203-I205 HydrophobicContact CD1-CB 3.82Å; F203-I205 HydrophobicContact CD1-CG1 4.17Å; F203-I205 HydrophobicContact CE1-CB 3.86Å; F203-I205 HydrophobicContact CE1-CD1 3.8Å; F203-I205 HydrophobicContact CE1-CG1 3.77Å; F203-I205 HydrophobicContact CZ-CD1 4.35Å; F203-I205 HydrophobicContact CZ-CG1 4.43Å; F203-I205 PolarHBondContact O-N 3.21Å; F203-I205 VanDerWaalsContact O-O 3.14Å; I205-F257 HydrophobicContact CG2-CB 4.35Å; I205-F257 HydrophobicContact CG2-CD1 4.42Å; I205-L259 HydrophobicContact CG1-CD2 4.22Å; I205-R260 PolarHBondContact O-NH2 3.05Å; I205-I276 HydrophobicContact CD1-CG2 3.89Å; I205-L277 HydrophobicContact CD1-CB 4.45Å; I205-L277 HydrophobicContact CD1-CD1 4.41Å; I205-L277 HydrophobicContact CG2-CD1 3.84Å
206K90.9Very high68.7Low89 Ų8973.5 Ų73.539%0.38743%0.432SS..EExtended strand (participates in β ladder)trans-118.7149.3171.260.9179172.3-176.90110.9F257 S258 R260K206-F257 CarbonylContact O-C 3.57Å; K206-F257 WeakPolarHBondContact O-CA 3.29Å; K206-S258 WeakPolarHBondContact CE-OG 3.39Å; K206-S258 WeakPolarHBondContact CG-O 3.23Å; K206-S258 VanDerWaalsContact CG-OG 3.22Å; K206-S258 WeakPolarHBondContact CG-OG 3.47Å; K206-S258 PolarHBondContact N-O 3.28Å; K206-S258 PolarHBondContact O-N 3.24Å; K206-R260 HydrophobicContact CB-CG 4.07Å; K206-R260 HydrophobicContact CD-CG 3.6Å; K206-R260 HydrophobicContact CG-CG 3.82Å
207Q86.3Confident65.6Low97 Ų9779.6 Ų79.645%0.45346%0.459SS..EExtended strand (participates in β ladder)trans-74.5127.6162.5-166.3173.5-11.200108.4S210 Q256 F257Q207-S210 PolarHBondContact NE2-OG 3.35Å; Q207-Q256 CarbonylContact C-O 3.54Å; Q207-Q256 WeakPolarHBondContact CA-O 3.34Å; Q207-Q256 WeakPolarHBondContact CG-O 3.48Å; Q207-F257 HydrophobicContact CB-CD1 4.11Å; Q207-F257 HydrophobicContact CB-CE1 3.99Å; Q207-F257 HydrophobicContact CG-CD1 4.3Å; Q207-F257 HydrophobicContact CG-CE1 3.94Å; Q207-F257 HydrophobicContact CG-CZ 4.41Å
208G73.1Confident62.7Low8 Ų880.7 Ų80.78%0.08247%0.473CS..  trans-67.4167.4170.100000111.1S210 Q256G208-S210 PolarHBondContact O-N 3.35Å; G208-Q256 PolarHBondContact N-O 3.23Å
209P60Low59.9Low88 Ų8888.8 Ų88.857%0.57151%0.51SS*.  trans-56.5114.6173.824.2-31.4000108.4
210S46Very low57.2Low63 Ų6389.5 Ų89.544%0.44151%0.513SS..  trans-53.5145.7169.2-59.40000107.7Q207 G208 G212Q207-S210 PolarHBondContact NE2-OG 3.35Å; G208-S210 PolarHBondContact O-N 3.35Å; S210-G212 CarbonylContact O-C 3.51Å; S210-G212 PolarHBondContact O-N 3.08Å
211S40.8Very low54.4Low126 Ų12694.1 Ų94.188%0.88154%0.539SS*.SBendtrans-62.325177.4-59.60000115.3
212G36.1Very low51.5Low50 Ų5097 Ų9752%0.51555%0.553SS.*SBendtrans-135.1123.3163.700000109.1S210S210-G212 CarbonylContact O-C 3.51Å; S210-G212 PolarHBondContact O-N 3.08Å
213N28.5Very low48.6Very low161 Ų161105.9 Ų105.986%0.86159%0.594SS**  trans80.677.3177-58.9-10.8000116.4S215N213-S215 PolarHBondContact O-N 3.44Å
214V29.3Very low45.4Very low127 Ų127112.4 Ų112.477%0.7763%0.629SS**  trans-82.9101.4151.2-177.90000107.3A216V214-A216 PolarHBondContact O-N 2.82Å
215S25.5Very low42.4Very low106 Ų106120.2 Ų120.274%0.74167%0.67SS**  trans-74.1109.116054.70000107.7N213 Q217N213-S215 PolarHBondContact O-N 3.44Å; S215-Q217 PolarHBondContact O-N 2.84Å
216A26.4Very low39.8Very low96 Ų96123.4 Ų123.479%0.79370%0.703SS**PPolyproline II helixtrans-57.8122.1172.800000110.1V214V214-A216 PolarHBondContact O-N 2.82Å
217Q24.7Very low37Very low177 Ų177127.5 Ų127.583%0.82773%0.727SS**PPolyproline II helixtrans-84.8144.3156.8-84.2-171.7-39.500108.7S215S215-Q217 PolarHBondContact O-N 2.84Å
218P27Very low34.4Very low123 Ų123126.5 Ų126.580%0.79974%0.743SS**PPolyproline II helixtrans-81.5122.9-176.319.4-6.5000110.1
219E28.6Very low32.5Very low189 Ų189129.1 Ų129.188%0.88377%0.77SS**PPolyproline II helixtrans-74.9137.6162.6-71.8-173161.100109.4
220E28Very low31.7Very low192 Ų192132.9 Ų132.990%0.89779%0.785SS**PPolyproline II helixtrans-69135-174.3-63.2177.3154.700111.2E222E220-E222 PolarHBondContact O-N 3.25Å
221D25.8Very low31.3Very low142 Ų142135.1 Ų135.176%0.75980%0.796SS**PPolyproline II helixtrans-67.3119.8-178.6-63.9-60.3000111.8
222E29.6Very low31.4Very low198 Ų198131.9 Ų131.993%0.92578%0.783SS**PPolyproline II helixtrans-88.2121.8158.9-93.5-168159.100109.8E220 D224E220-E222 PolarHBondContact O-N 3.25Å; E222-D224 PolarHBondContact O-N 2.98Å
223E30.8Very low31.4Very low187 Ų187135.8 Ų135.887%0.87479%0.785SS**PPolyproline II helixtrans-67.8120.7-178.7-65.4179.3152.800112.7L225E223-L225 PolarHBondContact O-N 3.08Å
224D27.9Very low31.8Very low140 Ų140134.5 Ų134.575%0.74977%0.774SS**  trans-83.5108.9171.9-163.914.4000110.4E222 G226E222-D224 PolarHBondContact O-N 2.98Å; D224-G226 PolarHBondContact O-N 3.23Å
225L30.6Very low32.3Very low166 Ų166134.5 Ų134.587%0.86977%0.769SS**  trans-78.6100.6171.6-78.5165.9000109.8E223E223-L225 PolarHBondContact O-N 3.08Å
226G39.7Very low32.8Very low66 Ų66137.6 Ų137.668%0.6877%0.765SS**  trans-61.3132.2178.800000114.3D224D224-G226 PolarHBondContact O-N 3.23Å
227I33Very low33.3Very low175 Ų175138 Ų13890%0.89775%0.75SS**  trans-154.8130.5143.2-85.7141.5000107
228G31.9Very low34Very low77 Ų77135 Ų13579%0.79474%0.739SS**  trans-81.1161.5-172.500000116
229G32.3Very low34.5Very low63 Ų63134.8 Ų134.865%0.64973%0.728SS**  trans136.6111.9169.100000111.4T231G229-T231 WeakPolarHBondContact O-CG2 3.45Å; G229-T231 PolarHBondContact O-N 3.23Å
230L42.8Very low34.7Very low166 Ų166129.1 Ų129.187%0.86970%0.703SS**  trans-19.7108.6174.9-73.3143.3000114.4
231T38.8Very low35.1Very low110 Ų110125.2 Ų125.268%0.67569%0.688SS**  trans-136.3161.817248.90000109.7G229 K233G229-T231 WeakPolarHBondContact O-CG2 3.45Å; G229-T231 PolarHBondContact O-N 3.23Å; T231-K233 PolarHBondContact O-N 3.5Å
232G42.2Very low35.7Very low59 Ų59126 Ų12661%0.60868%0.68SS**THydrogen-bonded Turntrans-55.816.4-168.400000119.1L235 R236G232-L235 PolarHBondContact O-N 2.87Å; G232-R236 WeakPolarHBondContact O-CB 3.36Å; G232-R236 PolarHBondContact O-N 3.43Å; G232-R236 VanDerWaalsContact O-N 3.1Å
233K36.9Very low35.9Very low132 Ų132120.1 Ų120.157%0.57466%0.655SS**Hα-helixtrans-61-40.2167.1-80.3-173.5172.9-175.90112.5T231 L235 R236 E237T231-K233 PolarHBondContact O-N 3.5Å; K233-L235 VanDerWaalsContact C-N 3.29Å; K233-L235 PolarHBondContact O-N 3.06Å; K233-R236 CarbonylContact O-C 3.55Å; K233-R236 PolarHBondContact O-N 3.24Å; K233-R236 VanDerWaalsContact O-N 3.15Å; K233-E237 VanDerWaalsContact O-CB 3.32Å; K233-E237 WeakPolarHBondContact O-CB 3.36Å; K233-E237 VanDerWaalsContact O-CG 3.29Å; K233-E237 WeakPolarHBondContact O-CG 3.34Å; K233-E237 PolarHBondContact O-N 2.92Å
234Q36.6Very low36.1Very low133 Ų133115.4 Ų115.462%0.62164%0.635SS**Hα-helixtrans-66.3-27.4177.4-75.2179-37.200114L238Q234-L238 PolarHBondContact O-N 3.36Å
235L39.4Very low36.6Very low127 Ų127114.9 Ų114.967%0.66563%0.628SS**Hα-helixtrans-84.8-26.7176-131.9118000111.9G232 K233 Q239G232-L235 PolarHBondContact O-N 2.87Å; K233-L235 VanDerWaalsContact C-N 3.29Å; K233-L235 PolarHBondContact O-N 3.06Å; L235-Q239 PolarHBondContact O-N 3.31Å
236R36.2Very low36.9Very low171 Ų171110.2 Ų110.265%0.64560%0.601SS**Hα-helixtrans-79.5-36.9174.6-147.8172.1-169.7174.30111.3G232 K233 L238 Q239 D240G232-R236 WeakPolarHBondContact O-CB 3.36Å; G232-R236 PolarHBondContact O-N 3.43Å; G232-R236 VanDerWaalsContact O-N 3.1Å; K233-R236 CarbonylContact O-C 3.55Å; K233-R236 PolarHBondContact O-N 3.24Å; K233-R236 VanDerWaalsContact O-N 3.15Å; R236-L238 VanDerWaalsContact C-N 3.34Å; R236-L238 PolarHBondContact O-N 2.86Å; R236-Q239 CarbonylContact O-C 3.52Å; R236-Q239 WeakPolarHBondContact O-CA 3.28Å; R236-Q239 WeakPolarHBondContact O-CB 3.4Å; R236-Q239 PolarHBondContact O-N 2.71Å; R236-D240 VanDerWaalsContact O-CB 3.29Å; R236-D240 WeakPolarHBondContact O-CB 3.43Å; R236-D240 PolarHBondContact O-N 3.37Å
237E36.8Very low36.8Very low104 Ų104114.1 Ų114.149%0.48660%0.602SS.*Hα-helixtrans-63.4-35172.6-77.7164.6-176.900112.3K233 Q239 D240 L241K233-E237 VanDerWaalsContact O-CB 3.32Å; K233-E237 WeakPolarHBondContact O-CB 3.36Å; K233-E237 VanDerWaalsContact O-CG 3.29Å; K233-E237 WeakPolarHBondContact O-CG 3.34Å; K233-E237 PolarHBondContact O-N 2.92Å; E237-Q239 VanDerWaalsContact C-N 3.34Å; E237-D240 PolarHBondContact O-N 3.31Å; E237-L241 WeakPolarHBondContact O-CB 3.32Å; E237-L241 WeakPolarHBondContact O-CD1 3.22Å; E237-L241 VanDerWaalsContact O-CG 3.23Å; E237-L241 WeakPolarHBondContact O-CG 3.25Å; E237-L241 PolarHBondContact O-N 2.78Å
238L40.3Very low37Very low115 Ų115111.2 Ų111.260%0.60259%0.588SS**Hα-helixtrans-72.8-24.9171.8-75170.6000113.5Q234 R236Q234-L238 PolarHBondContact O-N 3.36Å; R236-L238 VanDerWaalsContact C-N 3.34Å; R236-L238 PolarHBondContact O-N 2.86Å
239Q37.4Very low37.3Very low119 Ų119109.8 Ų109.856%0.55656%0.562SS**Hα-helixtrans-81-37.9171-77.3179.5-6.500111.1L235 R236 E237 R242 L243L235-Q239 PolarHBondContact O-N 3.31Å; R236-Q239 CarbonylContact O-C 3.52Å; R236-Q239 WeakPolarHBondContact O-CA 3.28Å; R236-Q239 WeakPolarHBondContact O-CB 3.4Å; R236-Q239 PolarHBondContact O-N 2.71Å; E237-Q239 VanDerWaalsContact C-N 3.34Å; Q239-R242 PolarHBondContact O-N 3.4Å; Q239-L243 WeakPolarHBondContact O-CB 3.39Å; Q239-L243 VanDerWaalsContact O-CD1 3.31Å; Q239-L243 WeakPolarHBondContact O-CD1 3.49Å; Q239-L243 WeakPolarHBondContact O-CG 3.49Å; Q239-L243 PolarHBondContact O-N 3.07Å
240D32.1Very low37.5Very low70 Ų70113.3 Ų113.337%0.37457%0.565SS.*Hα-helixtrans-75.6-38-178.3-70.4-22.2000111.4R236 E237 R242 L243 I244R236-D240 VanDerWaalsContact O-CB 3.29Å; R236-D240 WeakPolarHBondContact O-CB 3.43Å; R236-D240 PolarHBondContact O-N 3.37Å; E237-D240 PolarHBondContact O-N 3.31Å; D240-R242 PolarHBondContact O-N 3.25Å; D240-L243 CarbonylContact O-C 3.55Å; D240-L243 PolarHBondContact O-N 3.24Å; D240-L243 VanDerWaalsContact O-N 3.11Å; D240-I244 WeakPolarHBondContact O-CB 3.37Å; D240-I244 WeakPolarHBondContact O-CD1 3.5Å; D240-I244 WeakPolarHBondContact O-CG1 3.3Å; D240-I244 PolarHBondContact O-N 3.35Å
241L35.8Very low37.2Very low109 Ų109107.3 Ų107.357%0.57154%0.539SS*.Hα-helixtrans-60.7-32.8171.8-81.2159.5000112.6E237 E245E237-L241 WeakPolarHBondContact O-CB 3.32Å; E237-L241 WeakPolarHBondContact O-CD1 3.22Å; E237-L241 VanDerWaalsContact O-CG 3.23Å; E237-L241 WeakPolarHBondContact O-CG 3.25Å; E237-L241 PolarHBondContact O-N 2.78Å; L241-E245 PolarHBondContact O-N 3.5Å
242R39.2Very low37.2Very low159 Ų159107.1 Ų107.160%0.654%0.54SS*.Hα-helixtrans-84.4-24.4174.4-73.7-178.5-179.9175.72.4113.2Q239 D240 E246Q239-R242 PolarHBondContact O-N 3.4Å; D240-R242 PolarHBondContact O-N 3.25Å; R242-E246 WeakPolarHBondContact O-CG 3.38Å; R242-E246 PolarHBondContact O-N 2.9Å
243L33.8Very low37.2Very low75 Ų75106.2 Ų106.239%0.39352%0.524SS..Hα-helixtrans-75.3-31.5171.3-75.9156.9000111.4Q239 D240 E246 E247Q239-L243 WeakPolarHBondContact O-CB 3.39Å; Q239-L243 VanDerWaalsContact O-CD1 3.31Å; Q239-L243 WeakPolarHBondContact O-CD1 3.49Å; Q239-L243 WeakPolarHBondContact O-CG 3.49Å; Q239-L243 PolarHBondContact O-N 3.07Å; D240-L243 CarbonylContact O-C 3.55Å; D240-L243 PolarHBondContact O-N 3.24Å; D240-L243 VanDerWaalsContact O-N 3.11Å; L243-E246 WeakPolarHBondContact CD2-OE2 3.24Å; L243-E246 CarbonylContact O-C 3.5Å; L243-E246 WeakPolarHBondContact O-CA 3.48Å; L243-E246 WeakPolarHBondContact O-CB 3.4Å; L243-E246 PolarHBondContact O-N 3.32Å; L243-E246 VanDerWaalsContact O-N 3.12Å; L243-E247 PolarHBondContact O-N 3.02Å
244I34.7Very low37.6Very low88 Ų88106.6 Ų106.645%0.45153%0.532SS..Hα-helixtrans-68.7-35.8173.9-67.6159.8000110.9D240 E246 N248D240-I244 WeakPolarHBondContact O-CB 3.37Å; D240-I244 WeakPolarHBondContact O-CD1 3.5Å; D240-I244 WeakPolarHBondContact O-CG1 3.3Å; D240-I244 PolarHBondContact O-N 3.35Å; I244-E246 VanDerWaalsContact C-N 3.33Å; I244-N248 WeakPolarHBondContact O-CB 3.22Å; I244-N248 PolarHBondContact O-N 3.45Å; I244-N248 PolarHBondContact O-ND2 3.49Å
245E37.8Very low38.5Very low128 Ų128105.5 Ų105.560%0.59853%0.525SS*.Hα-helixtrans-64.8-36.8167.6-74.8178.7167.700111.4L241 N248 M249L241-E245 PolarHBondContact O-N 3.5Å; E245-N248 PolarHBondContact O-N 3.31Å; E245-M249 WeakPolarHBondContact O-CB 3.49Å; E245-M249 WeakPolarHBondContact O-CG 3.2Å; E245-M249 PolarHBondContact O-N 2.94Å
246E37.8Very low40.1Very low68 Ų68103.6 Ų103.632%0.31851%0.513SS..Hα-helixtrans-66.5-41.3174.6-73.8174.415400113R242 L243 I244 M249 L250 K577R242-E246 WeakPolarHBondContact O-CG 3.38Å; R242-E246 PolarHBondContact O-N 2.9Å; L243-E246 WeakPolarHBondContact CD2-OE2 3.24Å; L243-E246 CarbonylContact O-C 3.5Å; L243-E246 WeakPolarHBondContact O-CA 3.48Å; L243-E246 WeakPolarHBondContact O-CB 3.4Å; L243-E246 PolarHBondContact O-N 3.32Å; L243-E246 VanDerWaalsContact O-N 3.12Å; I244-E246 VanDerWaalsContact C-N 3.33Å; E246-M249 PolarHBondContact O-N 3.34Å; E246-L250 WeakPolarHBondContact O-CB 3.48Å; E246-L250 WeakPolarHBondContact O-CG 3.36Å; E246-L250 PolarHBondContact O-N 2.83Å; E246-K577 VanDerWaalsContact CD-CE 3.49Å; E246-K577 WeakPolarHBondContact OE1-CE 3.2Å; E246-K577 IonicContact OE1-NZ 3.81Å; E246-K577 PolarHBondContact OE1-NZ 3.4Å; E246-K577 IonicContact OE2-NZ 2.78Å; E246-K577 PolarHBondContact OE2-NZ 3.48Å
247E36.7Very low42.5Very low149 Ų14995.8 Ų95.870%0.69648%0.483SS*.Hα-helixtrans-65.8-40.3173.6-93.3-172.3158.400111.8L243 L250 A251L243-E247 PolarHBondContact O-N 3.02Å; E247-L250 CarbonylContact O-C 3.37Å; E247-L250 PolarHBondContact O-N 3.15Å; E247-A251 WeakPolarHBondContact O-CA 3.36Å; E247-A251 VanDerWaalsContact O-CB 3.27Å; E247-A251 WeakPolarHBondContact O-CB 3.44Å; E247-A251 PolarHBondContact O-N 3.29Å
248N38.6Very low45Very low114 Ų11492.3 Ų92.361%0.6147%0.471SS*.Hα-helixtrans-72.1-32.1175.7-77.2-37000113.2I244 E245 L250 A251I244-N248 WeakPolarHBondContact O-CB 3.22Å; I244-N248 PolarHBondContact O-N 3.45Å; I244-N248 PolarHBondContact O-ND2 3.49Å; E245-N248 PolarHBondContact O-N 3.31Å; N248-L250 VanDerWaalsContact C-N 3.27Å; N248-L250 PolarHBondContact O-N 3.49Å; N248-A251 PolarHBondContact O-N 3.06Å
249M37.8Very low47.5Very low47 Ų4788.6 Ų88.623%0.23245%0.451CS..Hα-helixtrans-70.6-24.2174-74.8-81.5-79.300112.5E245 E246 K474 V477E245-M249 WeakPolarHBondContact O-CB 3.49Å; E245-M249 WeakPolarHBondContact O-CG 3.2Å; E245-M249 PolarHBondContact O-N 2.94Å; E246-M249 PolarHBondContact O-N 3.34Å; M249-K474 WeakPolarHBondContact O-CE 3.41Å; M249-V477 HydrophobicContact CE-CB 3.85Å; M249-V477 HydrophobicContact CE-CG1 3.88Å; M249-V477 HydrophobicContact CE-CG2 3.52Å; M249-V477 HydrophobicContact SD-CG2 3.68Å
250L37.1Very low50Low136 Ų13684.6 Ų84.671%0.71243%0.431SS*.Hα-helixtrans-102.8-8.1175.4-66.5170.2000113E246 E247 N248 P252E246-L250 WeakPolarHBondContact O-CB 3.48Å; E246-L250 WeakPolarHBondContact O-CG 3.36Å; E246-L250 PolarHBondContact O-N 2.83Å; E247-L250 CarbonylContact O-C 3.37Å; E247-L250 PolarHBondContact O-N 3.15Å; N248-L250 VanDerWaalsContact C-N 3.27Å; N248-L250 PolarHBondContact O-N 3.49Å; L250-P252 WeakPolarHBondContact O-CD 3.09Å
251A35.9Very low52.9Low41 Ų4185.6 Ų85.634%0.33944%0.439SS..  trans-61.5121.5-178.300000109.2E247 N248 S253E247-A251 WeakPolarHBondContact O-CA 3.36Å; E247-A251 VanDerWaalsContact O-CB 3.27Å; E247-A251 WeakPolarHBondContact O-CB 3.44Å; E247-A251 PolarHBondContact O-N 3.29Å; N248-A251 PolarHBondContact O-N 3.06Å; A251-S253 PolarHBondContact O-N 3.44Å
252P39.1Very low55.5Low106 Ų10688.5 Ų88.569%0.68845%0.45SS*.  trans-60.2131.917323.7-29.5000107.9L250 L254L250-P252 WeakPolarHBondContact O-CD 3.09Å; P252-L254 PolarHBondContact O-N 3.21Å
253S42.3Very low58.1Low40 Ų4081.8 Ų81.828%0.2843%0.426SS..  trans-41.1132.917056.20000109.5A251 K255A251-S253 PolarHBondContact O-N 3.44Å; S253-K255 VanDerWaalsContact C-N 3.32Å; S253-K255 WeakPolarHBondContact O-CG 3.28Å; S253-K255 PolarHBondContact O-N 3.26Å
254L44.5Very low60.9Low139 Ų13979 Ų7973%0.72841%0.411SS*.  trans-44.397.6173.1-81.2151.8000109P252 Q256P252-L254 PolarHBondContact O-N 3.21Å; L254-Q256 PolarHBondContact O-N 3.29Å
255K56.3Low63.8Low110 Ų11074.8 Ų74.848%0.47839%0.39SS..  trans-73.2124.4-176.1-63.3-171.7178-177.60106.4S253 F257S253-K255 VanDerWaalsContact C-N 3.32Å; S253-K255 WeakPolarHBondContact O-CG 3.28Å; S253-K255 PolarHBondContact O-N 3.26Å; K255-F257 WeakPolarHBondContact CB-O 3.48Å; K255-F257 PolarHBondContact O-N 2.94Å; K255-F257 VanDerWaalsContact O-N 3.14Å
256Q71.5Confident66.4Low88 Ų8872.4 Ų72.441%0.41139%0.387SS..SBendtrans-58.1-26.5175.8-173.5176.52.400111.1Q207 G208 L254Q207-Q256 CarbonylContact C-O 3.54Å; Q207-Q256 WeakPolarHBondContact CA-O 3.34Å; Q207-Q256 WeakPolarHBondContact CG-O 3.48Å; G208-Q256 PolarHBondContact N-O 3.23Å; L254-Q256 PolarHBondContact O-N 3.29Å
257F86.6Confident69.1Low6 Ų670.2 Ų70.23%0.02638%0.376CS..EExtended strand (participates in β ladder)trans-131.2150172.7-58.1-89.2000111.5W190 L196 I205 K206 Q207 K255 L277 E281 Q284W190-F257 HydrophobicContact CH2-CB 4.49Å; W190-F257 AromaticContact CH2-CD1 3.63Å; W190-F257 HydrophobicContact CH2-CD1 3.63Å; W190-F257 AromaticContact CH2-CD2 3.87Å; W190-F257 HydrophobicContact CH2-CD2 3.87Å; W190-F257 AromaticContact CH2-CE1 3.68Å; W190-F257 HydrophobicContact CH2-CE1 3.68Å; W190-F257 AromaticContact CH2-CE2 3.91Å; W190-F257 HydrophobicContact CH2-CE2 3.91Å; W190-F257 AromaticContact CH2-CG 3.73Å; W190-F257 HydrophobicContact CH2-CG 3.73Å; W190-F257 AromaticContact CH2-CZ 3.81Å; W190-F257 HydrophobicContact CH2-CZ 3.81Å; W190-F257 HydrophobicContact CZ2-CD1 4.4Å; W190-F257 HydrophobicContact CZ2-CG 4.3Å; W190-F257 HydrophobicContact CZ3-CD1 4.15Å; W190-F257 AromaticContact CZ3-CE1 3.81Å; W190-F257 HydrophobicContact CZ3-CE1 3.81Å; W190-F257 HydrophobicContact CZ3-CE2 4.5Å; W190-F257 AromaticContact CZ3-CZ 4Å; W190-F257 HydrophobicContact CZ3-CZ 4Å; L196-F257 HydrophobicContact CD1-CD1 3.95Å; L196-F257 HydrophobicContact CD1-CE1 4.02Å; I205-F257 HydrophobicContact CG2-CB 4.35Å; I205-F257 HydrophobicContact CG2-CD1 4.42Å; K206-F257 CarbonylContact O-C 3.57Å; K206-F257 WeakPolarHBondContact O-CA 3.29Å; Q207-F257 HydrophobicContact CB-CD1 4.11Å; Q207-F257 HydrophobicContact CB-CE1 3.99Å; Q207-F257 HydrophobicContact CG-CD1 4.3Å; Q207-F257 HydrophobicContact CG-CE1 3.94Å; Q207-F257 HydrophobicContact CG-CZ 4.41Å; K255-F257 WeakPolarHBondContact CB-O 3.48Å; K255-F257 PolarHBondContact O-N 2.94Å; K255-F257 VanDerWaalsContact O-N 3.14Å; F257-L277 HydrophobicContact CB-CD1 3.65Å; F257-E281 HydrophobicContact CB-CG 4Å; F257-E281 HydrophobicContact CD2-CG 3.91Å; F257-E281 HydrophobicContact CG-CG 4.3Å; F257-Q284 HydrophobicContact CE2-CG 4.25Å; F257-Q284 HydrophobicContact CZ-CG 4.11Å
258S90.1Very high71.9Confident32 Ų3263.3 Ų63.322%0.22434%0.344CS..EExtended strand (participates in β ladder)trans-147.2159.6178.857.10000112K206K206-S258 WeakPolarHBondContact CE-OG 3.39Å; K206-S258 WeakPolarHBondContact CG-O 3.23Å; K206-S258 VanDerWaalsContact CG-OG 3.22Å; K206-S258 WeakPolarHBondContact CG-OG 3.47Å; K206-S258 PolarHBondContact N-O 3.28Å; K206-S258 PolarHBondContact O-N 3.24Å
259L91.6Very high74.7Confident36 Ų3659.6 Ų59.619%0.18833%0.326CS..EExtended strand (participates in β ladder)trans-81.7133.3176.9-65.6177.5000110.9F204 I205 V261 V270 A273 E274 L277F204-L259 HydrophobicContact CD2-CD2 4.22Å; F204-L259 CarbonylContact O-C 3.55Å; F204-L259 WeakPolarHBondContact O-CA 3.42Å; I205-L259 HydrophobicContact CG1-CD2 4.22Å; L259-V261 HydrophobicContact CB-CG2 4.36Å; L259-V261 PolarHBondContact O-N 2.99Å; L259-V270 HydrophobicContact CD1-CG1 4.38Å; L259-A273 HydrophobicContact CD1-CB 4.1Å; L259-A273 HydrophobicContact CD2-CB 4.02Å; L259-E274 HydrophobicContact CD1-CG 3.73Å; L259-L277 HydrophobicContact CD2-CB 4.13Å; L259-L277 HydrophobicContact CD2-CD2 4.35Å; L259-L277 HydrophobicContact CG-CD2 4.06Å
260R91.8Very high77.4Confident35 Ų3560.4 Ų60.413%0.13233%0.334CS..  trans-9386.4164.2-70.1-175.8-89.3-154.2-9.4108.5D198 E201 F203 F204 I205 K206 E262 I263 L264D198-R260 IonicContact OD2-CZ 2.66Å; D198-R260 IonicContact OD2-NH2 3.24Å; D198-R260 PolarHBondContact OD2-NH2 3.12Å; E201-R260 VanDerWaalsContact CG-NH1 3.34Å; E201-R260 PolarHBondContact O-NH1 3.39Å; E201-R260 IonicContact OE2-NH1 3.58Å; F203-R260 VanDerWaalsContact O-CZ 3.27Å; F203-R260 PolarHBondContact O-NE 3.48Å; F203-R260 PolarHBondContact O-NH2 3.32Å; F204-R260 PolarHBondContact O-N 3.48Å; I205-R260 PolarHBondContact O-NH2 3.05Å; K206-R260 HydrophobicContact CB-CG 4.07Å; K206-R260 HydrophobicContact CD-CG 3.6Å; K206-R260 HydrophobicContact CG-CG 3.82Å; R260-E262 PolarHBondContact O-N 3.4Å; R260-I263 HydrophobicContact CB-CD1 3.79Å; R260-I263 HydrophobicContact CB-CG1 3.63Å; R260-I263 HydrophobicContact CG-CD1 4.43Å; R260-I263 WeakPolarHBondContact O-CG1 3.35Å; R260-I263 PolarHBondContact O-N 3.12Å; R260-L264 PolarHBondContact O-N 3.43Å
261V91.4Very high80.2Confident91 Ų9159.9 Ų59.955%0.55232%0.322SS*.G310 helixtrans-60.9-29.3-176.5-174.50000111.8L259 I263 L264L259-V261 HydrophobicContact CB-CG2 4.36Å; L259-V261 PolarHBondContact O-N 2.99Å; V261-I263 VanDerWaalsContact C-N 3.27Å; V261-I263 PolarHBondContact O-N 3.44Å; V261-L264 WeakPolarHBondContact O-CB 3.39Å; V261-L264 PolarHBondContact O-N 3.31Å
262E90.7Very high83Confident170 Ų17058 Ų5879%0.79431%0.306SS*.G310 helixtrans-64.3-24.5179.8-62.6171.8-157.300114.8Q152 R260Q152-E262 PolarHBondContact NE2-O 3.07Å; R260-E262 PolarHBondContact O-N 3.4Å
263I93.1Very high85.7Confident19 Ų1952.9 Ų52.910%0.09727%0.273CS..G310 helixtrans-110.90.317964.1176.1000112.1C151 Q152 F203 F204 R260 V261 P265C151-I263 WeakPolarHBondContact CB-O 3.42Å; Q152-I263 HydrophobicContact CG-CB 4.28Å; Q152-I263 HydrophobicContact CG-CG2 4.11Å; F203-I263 VanDerWaalsContact C-CD1 3.46Å; F203-I263 VanDerWaalsContact O-CD1 3.24Å; F203-I263 WeakPolarHBondContact O-CD1 3.46Å; F204-I263 HydrophobicContact CB-CG1 4.12Å; R260-I263 HydrophobicContact CB-CD1 3.79Å; R260-I263 HydrophobicContact CB-CG1 3.63Å; R260-I263 HydrophobicContact CG-CD1 4.43Å; R260-I263 WeakPolarHBondContact O-CG1 3.35Å; R260-I263 PolarHBondContact O-N 3.12Å; V261-I263 VanDerWaalsContact C-N 3.27Å; V261-I263 PolarHBondContact O-N 3.44Å; I263-P265 WeakPolarHBondContact O-CD 3.39Å
264L94.3Very high88.1Confident15 Ų1556.4 Ų56.48%0.07929%0.285CS..SBendtrans-71.1120.8176.3179.267.4000109.2F204 R260 V261 S266 I268 V270 A273F204-L264 HydrophobicContact CB-CB 4.24Å; F204-L264 HydrophobicContact CB-CD1 4.14Å; F204-L264 HydrophobicContact CD1-CD1 3.94Å; F204-L264 HydrophobicContact CD2-CD1 3.98Å; F204-L264 HydrophobicContact CE1-CD1 4.33Å; F204-L264 HydrophobicContact CE2-CD1 4.38Å; F204-L264 HydrophobicContact CG-CD1 3.75Å; R260-L264 PolarHBondContact O-N 3.43Å; V261-L264 WeakPolarHBondContact O-CB 3.39Å; V261-L264 PolarHBondContact O-N 3.31Å; L264-S266 PolarHBondContact O-N 2.89Å; L264-I268 HydrophobicContact CD1-CB 4.3Å; L264-I268 HydrophobicContact CD1-CG2 4.25Å; L264-V270 HydrophobicContact CD2-CG2 3.93Å; L264-A273 HydrophobicContact CD1-CB 3.87Å; L264-A273 HydrophobicContact CD2-CB 3.99Å
265P94.8Very high90.5Very high0 Ų051.6 Ų51.60%026%0.259CS..  trans-59.8129177.5-23.334.1000111.3C151 L154 I263 Y267 I268C151-P265 HydrophobicContact CB-CG 4.1Å; L154-P265 HydrophobicContact CB-CG 4.2Å; L154-P265 HydrophobicContact CD1-CG 3.98Å; I263-P265 WeakPolarHBondContact O-CD 3.39Å; P265-Y267 HydrophobicContact CB-CD1 3.97Å; P265-Y267 HydrophobicContact CB-CE1 3.39Å; P265-Y267 HydrophobicContact CB-CE2 4.12Å; P265-Y267 VanDerWaalsContact CB-CZ 3.44Å; P265-Y267 HydrophobicContact CG-CE1 4.45Å; P265-Y267 PolarHBondContact O-N 3Å; P265-Y267 VanDerWaalsContact O-N 3.07Å; P265-I268 HydrophobicContact CG-CD1 4.42Å; P265-I268 PolarHBondContact O-N 2.64Å
266S93.3Very high92.4Very high78 Ų7846.4 Ų46.455%0.54524%0.236SC..THydrogen-bonded Turntrans-61.1-21.1-172.246.90000115.4E155 L264 I268E155-S266 WeakPolarHBondContact OE1-CB 3.26Å; E155-S266 PolarHBondContact OE1-OG 3.25Å; L264-S266 PolarHBondContact O-N 2.89Å; S266-I268 VanDerWaalsContact C-N 3.26Å; S266-I268 PolarHBondContact O-N 3.03Å
267Y94Very high93.4Very high22 Ų2242.8 Ų42.89%0.08622%0.219CC..THydrogen-bonded Turntrans-78.1-7173.361.3-99.3000113.5L154 Y158 H180 P265 F320L154-Y267 WeakPolarHBondContact CB-OH 3.08Å; Y158-Y267 AromaticContact CD1-CD1 3.5Å; Y158-Y267 HydrophobicContact CD1-CD1 3.5Å; Y158-Y267 HydrophobicContact CD1-CE1 4.26Å; Y158-Y267 HydrophobicContact CD1-CG 4.23Å; Y158-Y267 AromaticContact CD2-CD1 3.83Å; Y158-Y267 HydrophobicContact CD2-CD1 3.83Å; Y158-Y267 HydrophobicContact CD2-CE1 4.14Å; Y158-Y267 HydrophobicContact CD2-CG 4.29Å; Y158-Y267 AromaticContact CE1-CD1 3.9Å; Y158-Y267 HydrophobicContact CE1-CD1 3.9Å; Y158-Y267 HydrophobicContact CE1-CG 4.17Å; Y158-Y267 HydrophobicContact CE2-CD1 4.2Å; Y158-Y267 HydrophobicContact CE2-CG 4.23Å; Y158-Y267 AromaticContact CG-CD1 3.46Å; Y158-Y267 HydrophobicContact CG-CD1 3.46Å; Y158-Y267 VanDerWaalsContact CG-CD1 3.46Å; Y158-Y267 AromaticContact CG-CE1 3.8Å; Y158-Y267 HydrophobicContact CG-CE1 3.8Å; Y158-Y267 HydrophobicContact CG-CG 4.29Å; H180-Y267 AromaticContact NE2-CE2 3.89Å; H180-Y267 AromaticContact NE2-CZ 3.57Å; H180-Y267 PolarHBondContact NE2-OH 3.23Å; P265-Y267 HydrophobicContact CB-CD1 3.97Å; P265-Y267 HydrophobicContact CB-CE1 3.39Å; P265-Y267 HydrophobicContact CB-CE2 4.12Å; P265-Y267 VanDerWaalsContact CB-CZ 3.44Å; P265-Y267 HydrophobicContact CG-CE1 4.45Å; P265-Y267 PolarHBondContact O-N 3Å; P265-Y267 VanDerWaalsContact O-N 3.07Å; Y267-F320 AromaticContact CD2-CD1 3.97Å; Y267-F320 HydrophobicContact CD2-CD1 3.97Å; Y267-F320 AromaticContact CD2-CE1 3.56Å; Y267-F320 HydrophobicContact CD2-CE1 3.56Å; Y267-F320 HydrophobicContact CD2-CZ 4.18Å; Y267-F320 HydrophobicContact CE2-CD1 4.09Å; Y267-F320 AromaticContact CE2-CE1 3.79Å; Y267-F320 HydrophobicContact CE2-CE1 3.79Å; Y267-F320 HydrophobicContact CE2-CZ 4.07Å
268I96Very high93.6Very high4 Ų443.2 Ų43.22%0.02122%0.221CC..SBendtrans-102.9110.7170.9-56.2179.8000107.8M183 L264 P265 S266 V272 F320 F325M183-I268 HydrophobicContact CE-CD1 4.38Å; M183-I268 HydrophobicContact SD-CD1 3.83Å; L264-I268 HydrophobicContact CD1-CB 4.3Å; L264-I268 HydrophobicContact CD1-CG2 4.25Å; P265-I268 HydrophobicContact CG-CD1 4.42Å; P265-I268 PolarHBondContact O-N 2.64Å; S266-I268 VanDerWaalsContact C-N 3.26Å; S266-I268 PolarHBondContact O-N 3.03Å; I268-V272 HydrophobicContact CG2-CB 4.29Å; I268-V272 HydrophobicContact CG2-CG1 4.36Å; I268-F320 HydrophobicContact CG1-CZ 4.36Å; I268-F325 HydrophobicContact CG2-CE1 4.31Å
269P96.1Very high93.7Very high36 Ų3641.7 Ų41.723%0.23421%0.21CC..  trans-60143.4178.1-26.837000112.7R271 V272 A273 L322P269-R271 HydrophobicContact CB-CG 3.7Å; P269-R271 PolarHBondContact O-N 3.47Å; P269-V272 HydrophobicContact CB-CG2 4.33Å; P269-V272 HydrophobicContact CG-CG2 4.48Å; P269-V272 WeakPolarHBondContact O-CB 3.38Å; P269-V272 PolarHBondContact O-N 3.32Å; P269-A273 PolarHBondContact O-N 3.47Å; P269-L322 HydrophobicContact CG-CD2 4.1Å
270V95.3Very high93.7Very high65 Ų6540 Ų4039%0.39420%0.202SC..Hα-helixtrans-54.1-40176.5-179.80000111.6L259 L264 V272 A273 E274L259-V270 HydrophobicContact CD1-CG1 4.38Å; L264-V270 HydrophobicContact CD2-CG2 3.93Å; V270-V272 PolarHBondContact O-N 3.47Å; V270-V272 VanDerWaalsContact O-N 3.13Å; V270-A273 CarbonylContact O-C 3.59Å; V270-A273 WeakPolarHBondContact O-CA 3.21Å; V270-A273 WeakPolarHBondContact O-CB 3.43Å; V270-A273 PolarHBondContact O-N 2.98Å; V270-E274 HydrophobicContact CG1-CG 4.33Å; V270-E274 WeakPolarHBondContact O-CG 3.33Å; V270-E274 PolarHBondContact O-N 3.16Å
271R94.6Very high93.4Very high125 Ų12540.5 Ų40.547%0.47221%0.205SC..Hα-helixtrans-54.8-30.1174.366.3-174.7-176.387.613.7114.1P269 K275 E326P269-R271 HydrophobicContact CB-CG 3.7Å; P269-R271 PolarHBondContact O-N 3.47Å; R271-K275 WeakPolarHBondContact O-CG 3.44Å; R271-E326 IonicContact CZ-OE1 2.7Å; R271-E326 IonicContact CZ-OE2 3.89Å; R271-E326 IonicContact NH1-OE1 2.96Å; R271-E326 PolarHBondContact NH1-OE1 2.87Å; R271-E326 IonicContact NH1-OE2 3.92Å; R271-E326 PolarHBondContact NH1-OE2 3.33Å; R271-E326 IonicContact NH2-OE1 3.39Å; R271-E326 PolarHBondContact NH2-OE1 3.01Å; R271-E326 IonicContact NH2-OE2 3.49Å; R271-E326 PolarHBondContact NH2-OE2 2.91Å
272V96.3Very high93.2Very high0 Ų036.5 Ų36.50%018%0.182CC..Hα-helixtrans-81.1-39.4176177.80000110.1I268 P269 V270 E274 K275 I276 F325 E326 V329I268-V272 HydrophobicContact CG2-CB 4.29Å; I268-V272 HydrophobicContact CG2-CG1 4.36Å; P269-V272 HydrophobicContact CB-CG2 4.33Å; P269-V272 HydrophobicContact CG-CG2 4.48Å; P269-V272 WeakPolarHBondContact O-CB 3.38Å; P269-V272 PolarHBondContact O-N 3.32Å; V270-V272 PolarHBondContact O-N 3.47Å; V270-V272 VanDerWaalsContact O-N 3.13Å; V272-E274 VanDerWaalsContact C-N 3.31Å; V272-E274 PolarHBondContact O-N 2.95Å; V272-K275 WeakPolarHBondContact O-CB 3.28Å; V272-K275 PolarHBondContact O-N 3Å; V272-I276 HydrophobicContact CG1-CD1 4.13Å; V272-I276 WeakPolarHBondContact O-CG1 3.25Å; V272-I276 PolarHBondContact O-N 3.16Å; V272-I276 VanDerWaalsContact O-N 3.1Å; V272-F325 HydrophobicContact CG1-CD1 4.27Å; V272-F325 HydrophobicContact CG1-CE1 3.73Å; V272-E326 HydrophobicContact CG2-CG 4.19Å; V272-V329 HydrophobicContact CG1-CG1 4.33Å; V272-V329 HydrophobicContact CG1-CG2 4.47Å
273A95.9Very high92.9Very high0 Ų028.5 Ų28.50%014%0.144CC..Hα-helixtrans-61.9-37.6175.200000112.4F204 L259 L264 P269 V270 I276 L277F204-A273 HydrophobicContact CD2-CB 4.34Å; F204-A273 HydrophobicContact CE2-CB 4.14Å; L259-A273 HydrophobicContact CD1-CB 4.1Å; L259-A273 HydrophobicContact CD2-CB 4.02Å; L264-A273 HydrophobicContact CD1-CB 3.87Å; L264-A273 HydrophobicContact CD2-CB 3.99Å; P269-A273 PolarHBondContact O-N 3.47Å; V270-A273 CarbonylContact O-C 3.59Å; V270-A273 WeakPolarHBondContact O-CA 3.21Å; V270-A273 WeakPolarHBondContact O-CB 3.43Å; V270-A273 PolarHBondContact O-N 2.98Å; A273-I276 PolarHBondContact O-N 3.29Å; A273-L277 PolarHBondContact O-N 3.48Å
274E93Very high92.5Very high113 Ų11328.6 Ų28.653%0.52815%0.145SC..Hα-helixtrans-61.8-41.3173.7-71.8176.9157.300112.2L259 V270 V272 I276 L277 F278L259-E274 HydrophobicContact CD1-CG 3.73Å; V270-E274 HydrophobicContact CG1-CG 4.33Å; V270-E274 WeakPolarHBondContact O-CG 3.33Å; V270-E274 PolarHBondContact O-N 3.16Å; V272-E274 VanDerWaalsContact C-N 3.31Å; V272-E274 PolarHBondContact O-N 2.95Å; E274-I276 VanDerWaalsContact C-N 3.34Å; E274-I276 PolarHBondContact O-N 3.4Å; E274-L277 PolarHBondContact O-N 3.25Å; E274-F278 WeakPolarHBondContact O-CB 3.49Å; E274-F278 PolarHBondContact O-N 2.93Å
275K94.5Very high91.8Very high39 Ų3929.3 Ų29.317%0.1715%0.148CC..Hα-helixtrans-61.8-42174.3-63.8169.2-177.6-177.30111.5R271 V272 F278 V279 E326 V329 D330 R333R271-K275 WeakPolarHBondContact O-CG 3.44Å; V272-K275 WeakPolarHBondContact O-CB 3.28Å; V272-K275 PolarHBondContact O-N 3Å; K275-F278 PolarHBondContact O-N 2.89Å; K275-V279 VanDerWaalsContact O-CG2 3.29Å; K275-V279 WeakPolarHBondContact O-CG2 3.4Å; K275-V279 PolarHBondContact O-N 2.79Å; K275-E326 IonicContact NZ-OE1 3.26Å; K275-E326 PolarHBondContact NZ-OE1 3.27Å; K275-V329 HydrophobicContact CB-CG1 3.86Å; K275-V329 HydrophobicContact CD-CG1 4.41Å; K275-D330 VanDerWaalsContact CD-OD1 3.23Å; K275-D330 WeakPolarHBondContact CD-OD1 3.39Å; K275-D330 VanDerWaalsContact CE-OD1 3.23Å; K275-D330 WeakPolarHBondContact CE-OD1 3.28Å; K275-D330 VanDerWaalsContact NZ-CG 3.34Å; K275-D330 IonicContact NZ-OD1 3.48Å; K275-D330 PolarHBondContact NZ-OD1 3.18Å; K275-D330 IonicContact NZ-OD2 3.41Å; K275-D330 PolarHBondContact NZ-OD2 3.47Å; K275-R333 HydrophobicContact CB-CG 4.48Å
276I95.9Very high90.7Very high0 Ų029.9 Ų29.90%015%0.15CC..Hα-helixtrans-65.6-42.1178-64.2163.7000110.7L187 W190 M191 F204 I205 V272 A273 E274 G280 F325 V329L187-I276 HydrophobicContact CD2-CD1 3.83Å; L187-I276 HydrophobicContact CD2-CG1 4.27Å; L187-I276 HydrophobicContact CD2-CG2 3.48Å; L187-I276 VanDerWaalsContact CD2-CG2 3.48Å; W190-I276 PolarHBondContact NE1-O 3.39Å; M191-I276 HydrophobicContact CE-CG1 4.44Å; M191-I276 HydrophobicContact CG-CG2 4Å; M191-I276 HydrophobicContact SD-CB 4.45Å; M191-I276 HydrophobicContact SD-CG1 4.05Å; M191-I276 HydrophobicContact SD-CG2 4.01Å; F204-I276 HydrophobicContact CE2-CD1 4.48Å; F204-I276 HydrophobicContact CE2-CG2 4.4Å; F204-I276 HydrophobicContact CZ-CD1 4.1Å; I205-I276 HydrophobicContact CD1-CG2 3.89Å; V272-I276 HydrophobicContact CG1-CD1 4.13Å; V272-I276 WeakPolarHBondContact O-CG1 3.25Å; V272-I276 PolarHBondContact O-N 3.16Å; V272-I276 VanDerWaalsContact O-N 3.1Å; A273-I276 PolarHBondContact O-N 3.29Å; E274-I276 VanDerWaalsContact C-N 3.34Å; E274-I276 PolarHBondContact O-N 3.4Å; I276-G280 PolarHBondContact O-N 3.48Å; I276-G280 VanDerWaalsContact O-N 3.16Å; I276-F325 HydrophobicContact CD1-CE1 4.3Å; I276-F325 HydrophobicContact CD1-CZ 3.87Å; I276-V329 HydrophobicContact CD1-CG2 4.34Å; I276-V329 HydrophobicContact CG1-CG1 3.88Å; I276-V329 HydrophobicContact CG1-CG2 4.14Å
277L93.3Very high89.6Confident12 Ų1230 Ų306%0.06314%0.142CC..Hα-helixtrans-58.8-54.2174.6177.765.8000110.4W190 I205 F257 L259 A273 E274 V279 G280 E281W190-L277 HydrophobicContact CZ2-CD1 4.4Å; I205-L277 HydrophobicContact CD1-CB 4.45Å; I205-L277 HydrophobicContact CD1-CD1 4.41Å; I205-L277 HydrophobicContact CG2-CD1 3.84Å; F257-L277 HydrophobicContact CB-CD1 3.65Å; L259-L277 HydrophobicContact CD2-CB 4.13Å; L259-L277 HydrophobicContact CD2-CD2 4.35Å; L259-L277 HydrophobicContact CG-CD2 4.06Å; A273-L277 PolarHBondContact O-N 3.48Å; E274-L277 PolarHBondContact O-N 3.25Å; L277-V279 VanDerWaalsContact C-N 3.33Å; L277-V279 PolarHBondContact O-N 3.05Å; L277-G280 PolarHBondContact O-N 2.78Å; L277-E281 HydrophobicContact CD1-CG 3.94Å; L277-E281 HydrophobicContact CG-CG 4.19Å; L277-E281 WeakPolarHBondContact O-CB 3.25Å; L277-E281 WeakPolarHBondContact O-CG 3.47Å; L277-E281 PolarHBondContact O-N 3.35Å
278F90.6Very high88.3Confident15 Ų1533.4 Ų33.47%0.06616%0.162CC..Hα-helixtrans-54.7-46.4179.3167.5-100.3000112.7E274 K275 S282 R333 V336 A337 L340 F554E274-F278 WeakPolarHBondContact O-CB 3.49Å; E274-F278 PolarHBondContact O-N 2.93Å; K275-F278 PolarHBondContact O-N 2.89Å; F278-S282 VanDerWaalsContact O-CB 3.32Å; F278-S282 WeakPolarHBondContact O-CB 3.31Å; F278-S282 PolarHBondContact O-N 2.81Å; F278-S282 PolarHBondContact O-OG 3.11Å; F278-R333 HydrophobicContact CD1-CG 3.97Å; F278-R333 HydrophobicContact CE1-CG 4.19Å; F278-V336 HydrophobicContact CE1-CG1 4.37Å; F278-A337 HydrophobicContact CE1-CB 4.3Å; F278-A337 HydrophobicContact CZ-CB 4.45Å; F278-L340 HydrophobicContact CE2-CD1 4.23Å; F278-L340 HydrophobicContact CZ-CD1 3.73Å; F278-F554 HydrophobicContact CE2-CD1 4.09Å; F278-F554 HydrophobicContact CE2-CE1 4.38Å; F278-F554 HydrophobicContact CZ-CD1 4.18Å
279V92.1Very high86.6Confident0 Ų036 Ų360%017%0.174CC..Hα-helixtrans-59-52.8179.7166.10000110.8M191 K275 L277 S282 V283 I332 R333 V336M191-V279 HydrophobicContact CB-CG1 3.77Å; M191-V279 HydrophobicContact CE-CB 4.15Å; M191-V279 HydrophobicContact CE-CG1 3.9Å; M191-V279 HydrophobicContact CE-CG2 4.2Å; M191-V279 HydrophobicContact CG-CG1 4.02Å; M191-V279 WeakPolarHBondContact O-CG1 3.4Å; K275-V279 VanDerWaalsContact O-CG2 3.29Å; K275-V279 WeakPolarHBondContact O-CG2 3.4Å; K275-V279 PolarHBondContact O-N 2.79Å; L277-V279 VanDerWaalsContact C-N 3.33Å; L277-V279 PolarHBondContact O-N 3.05Å; V279-S282 WeakPolarHBondContact O-CB 3.4Å; V279-S282 PolarHBondContact O-N 3.03Å; V279-V283 VanDerWaalsContact O-CG2 3.24Å; V279-V283 WeakPolarHBondContact O-CG2 3.48Å; V279-V283 PolarHBondContact O-N 3.36Å; V279-I332 HydrophobicContact CG1-CG2 3.71Å; V279-I332 HydrophobicContact CG2-CG2 4.35Å; V279-R333 HydrophobicContact CG2-CB 3.85Å; V279-R333 HydrophobicContact CG2-CG 4.2Å; V279-V336 HydrophobicContact CG1-CG2 4.31Å
280G90.4Very high84.5Confident0 Ų036.4 Ų36.40%017%0.174CC..Hα-helixtrans-74-31.1-176.600000113.6W190 I276 L277 S282 V283 Q284W190-G280 WeakPolarHBondContact O-CA 3.42Å; I276-G280 PolarHBondContact O-N 3.48Å; I276-G280 VanDerWaalsContact O-N 3.16Å; L277-G280 PolarHBondContact O-N 2.78Å; G280-S282 VanDerWaalsContact C-N 3.29Å; G280-S282 PolarHBondContact O-N 3.49Å; G280-V283 PolarHBondContact O-N 3.22Å; G280-Q284 WeakPolarHBondContact O-CB 3.23Å; G280-Q284 PolarHBondContact O-N 3.31Å
281E86.6Confident82.4Confident46 Ų4639.2 Ų39.222%0.21519%0.191CC..Hα-helixtrans-58.6-45169.6-76.5-173.3145.800110.6W190 F257 L277 M285W190-E281 HydrophobicContact CZ2-CG 4.22Å; W190-E281 VanDerWaalsContact CZ2-N 3.3Å; F257-E281 HydrophobicContact CB-CG 4Å; F257-E281 HydrophobicContact CD2-CG 3.91Å; F257-E281 HydrophobicContact CG-CG 4.3Å; L277-E281 HydrophobicContact CD1-CG 3.94Å; L277-E281 HydrophobicContact CG-CG 4.19Å; L277-E281 WeakPolarHBondContact O-CB 3.25Å; L277-E281 WeakPolarHBondContact O-CG 3.47Å; L277-E281 PolarHBondContact O-N 3.35Å; E281-M285 VanDerWaalsContact O-CB 3.29Å; E281-M285 WeakPolarHBondContact O-CB 3.36Å; E281-M285 PolarHBondContact O-N 3.43Å
282S85.8Confident80Confident8 Ų840 Ų406%0.05621%0.205CC..Hα-helixtrans-64.4-44.1178.8-58.40000111.9F278 V279 G280 F286F278-S282 VanDerWaalsContact O-CB 3.32Å; F278-S282 WeakPolarHBondContact O-CB 3.31Å; F278-S282 PolarHBondContact O-N 2.81Å; F278-S282 PolarHBondContact O-OG 3.11Å; V279-S282 WeakPolarHBondContact O-CB 3.4Å; V279-S282 PolarHBondContact O-N 3.03Å; G280-S282 VanDerWaalsContact C-N 3.29Å; G280-S282 PolarHBondContact O-N 3.49Å; S282-F286 WeakPolarHBondContact O-CD2 3.34Å; S282-F286 PolarHBondContact O-N 2.85Å
283V85.9Confident77.5Confident1 Ų143.8 Ų43.81%0.00623%0.225CC..Hα-helixtrans-68.2-45.9179.1175.90000111.1V279 G280 M285 F286 E287 I299V279-V283 VanDerWaalsContact O-CG2 3.24Å; V279-V283 WeakPolarHBondContact O-CG2 3.48Å; V279-V283 PolarHBondContact O-N 3.36Å; G280-V283 PolarHBondContact O-N 3.22Å; V283-M285 VanDerWaalsContact C-N 3.29Å; V283-M285 PolarHBondContact O-N 3.48Å; V283-F286 PolarHBondContact O-N 3.33Å; V283-F286 VanDerWaalsContact O-N 3.11Å; V283-E287 PolarHBondContact O-N 3.32Å; V283-I299 HydrophobicContact CB-CG2 4.38Å; V283-I299 HydrophobicContact CG2-CG2 3.66Å
284Q84.9Confident74.8Confident22 Ų2251.1 Ų51.110%0.10327%0.269CS..Hα-helixtrans-61.5-39.3-179.4-172.9-92.17.500112W190 G194 F257 G280 F286 E287 N288W190-Q284 HydrophobicContact CH2-CB 4.48Å; W190-Q284 HydrophobicContact CZ3-CB 4.36Å; G194-Q284 VanDerWaalsContact O-CG 3.3Å; G194-Q284 WeakPolarHBondContact O-CG 3.37Å; F257-Q284 HydrophobicContact CE2-CG 4.25Å; F257-Q284 HydrophobicContact CZ-CG 4.11Å; G280-Q284 WeakPolarHBondContact O-CB 3.23Å; G280-Q284 PolarHBondContact O-N 3.31Å; Q284-F286 VanDerWaalsContact C-N 3.29Å; Q284-F286 PolarHBondContact O-N 2.85Å; Q284-E287 PolarHBondContact O-N 3.22Å; Q284-N288 PolarHBondContact NE2-ND2 3.07Å; Q284-N288 PolarHBondContact O-N 3.38Å; Q284-N288 VanDerWaalsContact O-N 3.09Å; Q284-N288 PolarHBondContact OE1-ND2 2.96Å
285M77.8Confident72.7Confident29 Ų2952.7 Ų52.714%0.14327%0.271CS..Hα-helixtrans-62.3-37.4176.4177.3173.7163.600112.3E281 V283 W461 H464 I465E281-M285 VanDerWaalsContact O-CB 3.29Å; E281-M285 WeakPolarHBondContact O-CB 3.36Å; E281-M285 PolarHBondContact O-N 3.43Å; V283-M285 VanDerWaalsContact C-N 3.29Å; V283-M285 PolarHBondContact O-N 3.48Å; M285-W461 VanDerWaalsContact CE-CD1 3.42Å; M285-H464 WeakPolarHBondContact CE-CE1 2.88Å; M285-H464 WeakPolarHBondContact CE-NE2 3.28Å; M285-I465 HydrophobicContact CE-CD1 3.48Å; M285-I465 VanDerWaalsContact CE-CD1 3.48Å; M285-I465 HydrophobicContact CE-CG1 3.26Å; M285-I465 HydrophobicContact SD-CD1 3.39Å; M285-I465 WeakPolarHBondContact SD-CD1 3.48Å; M285-I465 HydrophobicContact SD-CG1 3.25Å; M285-I465 WeakPolarHBondContact SD-CG1 3.45Å
286F73.5Confident70.2Confident12 Ų1261.3 Ų61.35%0.05331%0.308CS..Hα-helixtrans-70.5-42.2177.3-86.2-116.3000111.8S282 V283 Q284 Q289 N290 I299 L340 L343 W461S282-F286 WeakPolarHBondContact O-CD2 3.34Å; S282-F286 PolarHBondContact O-N 2.85Å; V283-F286 PolarHBondContact O-N 3.33Å; V283-F286 VanDerWaalsContact O-N 3.11Å; Q284-F286 VanDerWaalsContact C-N 3.29Å; Q284-F286 PolarHBondContact O-N 2.85Å; F286-Q289 PolarHBondContact O-N 2.88Å; F286-N290 WeakPolarHBondContact O-CB 3.33Å; F286-N290 PolarHBondContact O-N 3.01Å; F286-I299 HydrophobicContact CD1-CB 4.24Å; F286-I299 HydrophobicContact CD1-CD1 4.44Å; F286-I299 HydrophobicContact CD2-CD1 3.93Å; F286-I299 HydrophobicContact CE1-CB 4.46Å; F286-I299 HydrophobicContact CE1-CD1 4.22Å; F286-I299 HydrophobicContact CE1-CG1 4.35Å; F286-I299 HydrophobicContact CE2-CD1 3.73Å; F286-I299 HydrophobicContact CG-CB 4.43Å; F286-I299 HydrophobicContact CG-CD1 4.26Å; F286-I299 HydrophobicContact CZ-CD1 3.84Å; F286-I299 HydrophobicContact CZ-CG1 4.38Å; F286-L340 HydrophobicContact CD2-CD2 4.35Å; F286-L340 HydrophobicContact CE2-CD2 3.22Å; F286-L340 HydrophobicContact CZ-CD2 3.51Å; F286-L343 HydrophobicContact CE1-CD2 3.55Å; F286-L343 HydrophobicContact CE2-CD2 4.24Å; F286-L343 HydrophobicContact CZ-CD2 3.23Å; F286-L343 HydrophobicContact CZ-CG 4.49Å; F286-W461 HydrophobicContact CD1-CZ2 4.2Å; F286-W461 HydrophobicContact CE1-CH2 4.34Å; F286-W461 HydrophobicContact CE1-CZ2 4.12Å; F286-W461 HydrophobicContact CE2-CZ2 4.48Å; F286-W461 HydrophobicContact CG-CZ2 4.48Å; F286-W461 HydrophobicContact CZ-CZ2 4.29Å
287E69.9Low68.2Low82 Ų8263.6 Ų63.638%0.38333%0.331SS..Hα-helixtrans-62-44.1179.5-76.9-62.314200112.2V283 Q284 Q289 N290V283-E287 PolarHBondContact O-N 3.32Å; Q284-E287 PolarHBondContact O-N 3.22Å; E287-Q289 PolarHBondContact O-N 3.23Å; E287-N290 PolarHBondContact O-N 2.65Å
288N65.5Low66.9Low92 Ų9264 Ų6449%0.49234%0.335SS..Hα-helixtrans-61.3-28.1177.5-74.3-22.7000113.5Q284Q284-N288 PolarHBondContact NE2-ND2 3.07Å; Q284-N288 PolarHBondContact O-N 3.38Å; Q284-N288 VanDerWaalsContact O-N 3.09Å; Q284-N288 PolarHBondContact OE1-ND2 2.96Å
289Q60.2Low66Low58 Ų5863.5 Ų63.527%0.27133%0.333SS..Hα-helixtrans-92.5-29.7-178.5-134.3111.621.400112.9F286 E287 V291 N292 L293 W461F286-Q289 PolarHBondContact O-N 2.88Å; E287-Q289 PolarHBondContact O-N 3.23Å; Q289-V291 PolarHBondContact O-N 2.89Å; Q289-N292 PolarHBondContact O-N 3.29Å; Q289-L293 HydrophobicContact CG-CD1 4.1Å; Q289-L293 PolarHBondContact O-N 3.28Å; Q289-W461 HydrophobicContact CG-CD2 4.26Å; Q289-W461 HydrophobicContact CG-CG 4.06Å
290N52.9Low65.1Low46 Ų4663.5 Ų63.525%0.24633%0.333CS..Hα-helixtrans-63-20.5176.7-100.3-10.5000113.2F286 E287 N292 L293 R295 G297F286-N290 WeakPolarHBondContact O-CB 3.33Å; F286-N290 PolarHBondContact O-N 3.01Å; E287-N290 PolarHBondContact O-N 2.65Å; N290-N292 PolarHBondContact O-N 3.17Å; N290-L293 VanDerWaalsContact O-O 3.08Å; N290-R295 PolarHBondContact OD1-O 3.04Å; N290-R295 VanDerWaalsContact OD1-O 3.13Å; N290-G297 PolarHBondContact ND2-O 3.43Å
291V50.8Low63.9Low123 Ų12368.4 Ų68.475%0.74536%0.355SS*.THydrogen-bonded Turntrans-63.7-26.3170.2-172.90000111.7Q289Q289-V291 PolarHBondContact O-N 2.89Å
292N44.6Very low63.1Low142 Ų14273.2 Ų73.276%0.75938%0.382SS*.THydrogen-bonded Turntrans-105.4-15.9-178.2-70-31.7000114.3Q289 N290Q289-N292 PolarHBondContact O-N 3.29Å; N290-N292 PolarHBondContact O-N 3.17Å
293L44.4Very low62.9Low80 Ų8076.7 Ų76.742%0.41940%0.397SS..SBendtrans-116.9128.4-177.1-75.6156000110.5Q289 N290 R295 W461Q289-L293 HydrophobicContact CG-CD1 4.1Å; Q289-L293 PolarHBondContact O-N 3.28Å; N290-L293 VanDerWaalsContact O-O 3.08Å; L293-R295 PolarHBondContact O-N 3.38Å; L293-W461 HydrophobicContact CD1-CE3 4.32Å; L293-W461 HydrophobicContact CD1-CZ3 4.43Å
294T39Very low62.9Low153 Ų15379.2 Ų79.294%0.93941%0.409SS*.  trans-70.326.8-178.2-11.70000114K296T294-K296 PolarHBondContact O-N 3.46Å
295R47.3Very low62.9Low147 Ų14784.5 Ų84.556%0.55544%0.438SS*.  trans-95.695.8178.8-83.8-176.5176.8-168.8-4.8109.9N290 L293 G297 E347N290-R295 PolarHBondContact OD1-O 3.04Å; N290-R295 VanDerWaalsContact OD1-O 3.13Å; L293-R295 PolarHBondContact O-N 3.38Å; R295-G297 PolarHBondContact O-N 3.09Å; R295-E347 IonicContact CZ-OE2 3.86Å; R295-E347 IonicContact NH1-OE2 3.33Å; R295-E347 PolarHBondContact NH1-OE2 3.1Å; R295-E347 IonicContact NH2-OE2 3.4Å
296K42.6Very low63.6Low220 Ų22086.8 Ų86.896%0.95745%0.453SS*.  trans-66.596.2167.9-71.7-177.5175.8-177.70109.5T294T294-K296 PolarHBondContact O-N 3.46Å
297G54.2Low64.5Low47 Ų4786.6 Ų86.649%0.48545%0.452SS..  trans-175.7121.5170.300000111.2N290 R295N290-G297 PolarHBondContact ND2-O 3.43Å; R295-G297 PolarHBondContact O-N 3.09Å
298S66.1Low65.5Low22 Ų2284.6 Ų84.615%0.15445%0.45CS..  trans-68.6145.6164.1166.80000109.9L300 K301 E304S298-L300 PolarHBondContact O-N 3.11Å; S298-L300 PolarHBondContact OG-N 3Å; S298-L300 VanDerWaalsContact OG-N 3.1Å; S298-K301 PolarHBondContact O-N 3.08Å; S298-E304 WeakPolarHBondContact CB-OE1 3.35Å; S298-E304 PolarHBondContact OG-OE1 3.43Å
299I71.4Confident66.8Low3 Ų383.1 Ų83.12%0.01545%0.451CS..THydrogen-bonded Turntrans-52-26.4171.4-167.8166.9000111.9V283 F286 K301 V336 H339 L340V283-I299 HydrophobicContact CB-CG2 4.38Å; V283-I299 HydrophobicContact CG2-CG2 3.66Å; F286-I299 HydrophobicContact CD1-CB 4.24Å; F286-I299 HydrophobicContact CD1-CD1 4.44Å; F286-I299 HydrophobicContact CD2-CD1 3.93Å; F286-I299 HydrophobicContact CE1-CB 4.46Å; F286-I299 HydrophobicContact CE1-CD1 4.22Å; F286-I299 HydrophobicContact CE1-CG1 4.35Å; F286-I299 HydrophobicContact CE2-CD1 3.73Å; F286-I299 HydrophobicContact CG-CB 4.43Å; F286-I299 HydrophobicContact CG-CD1 4.26Å; F286-I299 HydrophobicContact CZ-CD1 3.84Å; F286-I299 HydrophobicContact CZ-CG1 4.38Å; I299-K301 PolarHBondContact O-N 2.78Å; I299-V336 HydrophobicContact CD1-CG1 3.82Å; I299-V336 HydrophobicContact CG1-CG1 4.49Å; I299-H339 HydrophobicContact CG1-CB 3.91Å; I299-H339 VanDerWaalsContact O-CG 3.28Å; I299-H339 PolarHBondContact O-ND1 3.35Å; I299-L340 HydrophobicContact CD1-CD2 3.68Å; I299-L340 HydrophobicContact CD1-CG 3.92Å
300L74.2Confident68.4Low0 Ų082.6 Ų82.60%045%0.448CS..THydrogen-bonded Turntrans-84.81.6-179.9-60.6175.4000114.5L192 S298 N302 Q303 E304 F307 I332 T335 V336L192-L300 HydrophobicContact CB-CD1 4.35Å; L192-L300 HydrophobicContact CD2-CD1 3.8Å; S298-L300 PolarHBondContact O-N 3.11Å; S298-L300 PolarHBondContact OG-N 3Å; S298-L300 VanDerWaalsContact OG-N 3.1Å; L300-N302 PolarHBondContact O-N 2.93Å; L300-Q303 VanDerWaalsContact O-CB 3.25Å; L300-Q303 WeakPolarHBondContact O-CB 3.42Å; L300-Q303 PolarHBondContact O-N 3.42Å; L300-E304 HydrophobicContact CB-CG 3.68Å; L300-E304 HydrophobicContact CD1-CG 3.89Å; L300-E304 HydrophobicContact CG-CG 4.39Å; L300-F307 HydrophobicContact CD1-CD2 4.43Å; L300-F307 HydrophobicContact CD2-CD2 4.2Å; L300-F307 HydrophobicContact CD2-CE2 3.98Å; L300-I332 HydrophobicContact CD2-CG2 4.45Å; L300-T335 HydrophobicContact CD2-CG2 4.5Å; L300-V336 HydrophobicContact CD2-CG2 3.43Å; L300-V336 VanDerWaalsContact CD2-CG2 3.43Å
301K65.4Low70.3Confident104 Ų10480.6 Ų80.645%0.45244%0.437SS..THydrogen-bonded Turntrans45.554.2170-71177163.2163.30114.4S298 I299 Q303 H339S298-K301 PolarHBondContact O-N 3.08Å; I299-K301 PolarHBondContact O-N 2.78Å; K301-Q303 PolarHBondContact O-N 3.18Å; K301-Q303 VanDerWaalsContact O-N 3.17Å; K301-H339 WeakPolarHBondContact CD-ND1 3.43Å; K301-H339 WeakPolarHBondContact CE-CE1 3.31Å; K301-H339 WeakPolarHBondContact CE-ND1 3.29Å
302N69.5Low72.3Confident147 Ų14779.6 Ų79.679%0.78642%0.424SS*.THydrogen-bonded Turntrans64.87-178.4-47.2-27.3000115.4L300L300-N302 PolarHBondContact O-N 2.93Å
303Q81.4Confident74.7Confident80 Ų8077.8 Ų77.837%0.37441%0.407SS..  trans-83.4-1.4172-59.9-173.5-5.400112.7L300 K301 D305 T306 F307 T335L300-Q303 VanDerWaalsContact O-CB 3.25Å; L300-Q303 WeakPolarHBondContact O-CB 3.42Å; L300-Q303 PolarHBondContact O-N 3.42Å; K301-Q303 PolarHBondContact O-N 3.18Å; K301-Q303 VanDerWaalsContact O-N 3.17Å; Q303-D305 VanDerWaalsContact C-N 3.3Å; Q303-D305 PolarHBondContact O-N 3.32Å; Q303-T306 WeakPolarHBondContact O-CA 3.37Å; Q303-T306 WeakPolarHBondContact O-CB 3.3Å; Q303-T306 PolarHBondContact O-N 3.42Å; Q303-F307 HydrophobicContact CB-CD2 3.96Å; Q303-F307 HydrophobicContact CB-CE2 3.56Å; Q303-F307 HydrophobicContact CB-CZ 4.14Å; Q303-F307 VanDerWaalsContact O-CD2 3.22Å; Q303-F307 WeakPolarHBondContact O-CD2 3.2Å; Q303-F307 WeakPolarHBondContact O-CG 3.32Å; Q303-F307 PolarHBondContact O-N 2.8Å; Q303-F307 VanDerWaalsContact OE1-CZ 3.3Å; Q303-T335 PolarHBondContact OE1-OG1 3.45Å
304E84.6Confident77.1Confident55 Ų5574.1 Ų74.126%0.25739%0.388SS..Hα-helixtrans-51.9-48.4177.3-61.4-177154.900111.6S298 L300 T306 F307 A308S298-E304 WeakPolarHBondContact CB-OE1 3.35Å; S298-E304 PolarHBondContact OG-OE1 3.43Å; L300-E304 HydrophobicContact CB-CG 3.68Å; L300-E304 HydrophobicContact CD1-CG 3.89Å; L300-E304 HydrophobicContact CG-CG 4.39Å; E304-T306 VanDerWaalsContact C-N 3.27Å; E304-T306 PolarHBondContact O-N 3.04Å; E304-F307 PolarHBondContact O-N 2.99Å; E304-A308 VanDerWaalsContact O-CB 3.25Å; E304-A308 WeakPolarHBondContact O-CB 3.35Å; E304-A308 PolarHBondContact O-N 2.78Å
305D86.1Confident79.6Confident132 Ų13271.2 Ų71.271%0.70636%0.362SS*.Hα-helixtrans-61.8-37.3178.3-67.4-28.9000111.9Q303 A309Q303-D305 VanDerWaalsContact C-N 3.3Å; Q303-D305 PolarHBondContact O-N 3.32Å; D305-A309 VanDerWaalsContact O-CB 3.3Å; D305-A309 WeakPolarHBondContact O-CB 3.37Å; D305-A309 PolarHBondContact O-N 3.42Å
306T91.3Very high81.7Confident77 Ų7770.1 Ų70.147%0.47236%0.363SS..Hα-helixtrans-68.1-45.1177.9-57.80000110.7Q303 E304 A309 E310Q303-T306 WeakPolarHBondContact O-CA 3.37Å; Q303-T306 WeakPolarHBondContact O-CB 3.3Å; Q303-T306 PolarHBondContact O-N 3.42Å; E304-T306 VanDerWaalsContact C-N 3.27Å; E304-T306 PolarHBondContact O-N 3.04Å; T306-A309 PolarHBondContact O-N 3.5Å; T306-E310 WeakPolarHBondContact O-CG 3.32Å; T306-E310 PolarHBondContact O-N 3.03Å
307F92.4Very high84.1Confident8 Ų862 Ų624%0.03533%0.329CS..Hα-helixtrans-70.6-36.3178.3-63.4-46.9000112.6L192 L300 Q303 E304 A309 E310 L311 R331 I332 T335L192-F307 HydrophobicContact CD2-CB 3.64Å; L192-F307 HydrophobicContact CD2-CD2 4.49Å; L192-F307 HydrophobicContact CD2-CG 4.48Å; L300-F307 HydrophobicContact CD1-CD2 4.43Å; L300-F307 HydrophobicContact CD2-CD2 4.2Å; L300-F307 HydrophobicContact CD2-CE2 3.98Å; Q303-F307 HydrophobicContact CB-CD2 3.96Å; Q303-F307 HydrophobicContact CB-CE2 3.56Å; Q303-F307 HydrophobicContact CB-CZ 4.14Å; Q303-F307 VanDerWaalsContact O-CD2 3.22Å; Q303-F307 WeakPolarHBondContact O-CD2 3.2Å; Q303-F307 WeakPolarHBondContact O-CG 3.32Å; Q303-F307 PolarHBondContact O-N 2.8Å; Q303-F307 VanDerWaalsContact OE1-CZ 3.3Å; E304-F307 PolarHBondContact O-N 2.99Å; F307-A309 VanDerWaalsContact C-N 3.31Å; F307-A309 PolarHBondContact O-N 2.99Å; F307-E310 PolarHBondContact O-N 3.25Å; F307-L311 WeakPolarHBondContact O-CB 3.48Å; F307-L311 WeakPolarHBondContact O-CG 3.15Å; F307-L311 PolarHBondContact O-N 3.27Å; F307-R331 HydrophobicContact CE1-CB 4.38Å; F307-I332 HydrophobicContact CB-CD1 4.23Å; F307-I332 HydrophobicContact CB-CG1 4.09Å; F307-I332 HydrophobicContact CD1-CD1 4.34Å; F307-I332 HydrophobicContact CD1-CG1 3.47Å; F307-I332 VanDerWaalsContact CD1-CG1 3.47Å; F307-I332 HydrophobicContact CD2-CG1 4.17Å; F307-I332 HydrophobicContact CE1-CG1 3.84Å; F307-I332 HydrophobicContact CE2-CG1 4.48Å; F307-I332 HydrophobicContact CG-CD1 4.35Å; F307-I332 HydrophobicContact CG-CG1 3.66Å; F307-I332 HydrophobicContact CZ-CG1 4.33Å; F307-T335 HydrophobicContact CE2-CG2 4.16Å; F307-T335 HydrophobicContact CZ-CG2 4.26Å
308A91Very high85.6Confident41 Ų4164.6 Ų64.634%0.33934%0.337SS..Hα-helixtrans-60.7-42.9171.300000110.9L192 E304 H312L192-A308 HydrophobicContact CD1-CB 3.89Å; E304-A308 VanDerWaalsContact O-CB 3.25Å; E304-A308 WeakPolarHBondContact O-CB 3.35Å; E304-A308 PolarHBondContact O-N 2.78Å; A308-H312 WeakPolarHBondContact O-CB 3.48Å; A308-H312 PolarHBondContact O-N 3.3Å
309A92.9Very high86.7Confident60 Ų6068 Ų6850%0.49635%0.353SS..Hα-helixtrans-64-41.1175.200000112.6D305 T306 F307 H312 R313D305-A309 VanDerWaalsContact O-CB 3.3Å; D305-A309 WeakPolarHBondContact O-CB 3.37Å; D305-A309 PolarHBondContact O-N 3.42Å; T306-A309 PolarHBondContact O-N 3.5Å; F307-A309 VanDerWaalsContact C-N 3.31Å; F307-A309 PolarHBondContact O-N 2.99Å; A309-H312 PolarHBondContact O-N 3.48Å; A309-R313 WeakPolarHBondContact O-CB 3.24Å; A309-R313 PolarHBondContact O-N 2.79Å
310E93.9Very high87.7Confident47 Ų4770 Ų7022%0.2236%0.362CS..Hα-helixtrans-66.7-44.8176.5-73.2-69.3176.300112.6T306 F307 H312 R313 L314 V328 R331T306-E310 WeakPolarHBondContact O-CG 3.32Å; T306-E310 PolarHBondContact O-N 3.03Å; F307-E310 PolarHBondContact O-N 3.25Å; E310-H312 VanDerWaalsContact C-N 3.3Å; E310-H312 PolarHBondContact O-N 3.11Å; E310-R313 WeakPolarHBondContact O-CB 3.18Å; E310-R313 PolarHBondContact O-N 2.77Å; E310-R313 IonicContact OE2-CZ 2.81Å; E310-R313 IonicContact OE2-NE 3.08Å; E310-R313 PolarHBondContact OE2-NE 3.4Å; E310-R313 IonicContact OE2-NH2 3.44Å; E310-R313 PolarHBondContact OE2-NH2 3.17Å; E310-R313 VanDerWaalsContact OE2-NH2 3.08Å; E310-L314 WeakPolarHBondContact O-CG 3.38Å; E310-L314 PolarHBondContact O-N 2.91Å; E310-V328 HydrophobicContact CB-CG1 4.05Å; E310-V328 HydrophobicContact CB-CG2 4.2Å; E310-R331 IonicContact OE1-NH1 2.74Å
311L92.9Very high88.7Confident4 Ų471.7 Ų71.72%0.02137%0.374CS..Hα-helixtrans-63.8-38.2174.6-70.5175.4000111.3Y184 L192 F307 L314 K315 V328 I332Y184-L311 HydrophobicContact CD1-CD2 4.34Å; L192-L311 HydrophobicContact CD1-CD1 4.27Å; L192-L311 HydrophobicContact CG-CD1 4.44Å; F307-L311 WeakPolarHBondContact O-CB 3.48Å; F307-L311 WeakPolarHBondContact O-CG 3.15Å; F307-L311 PolarHBondContact O-N 3.27Å; L311-L314 PolarHBondContact O-N 3.38Å; L311-K315 PolarHBondContact O-N 3.49Å; L311-V328 HydrophobicContact CD2-CG1 3.95Å; L311-V328 HydrophobicContact CG-CG1 4.37Å; L311-I332 HydrophobicContact CD1-CD1 4.41Å
312H93.4Very high90Very high102 Ų10269.4 Ų69.447%0.47237%0.366SS..Hα-helixtrans-64.7-41.8173.2-175.9-91.4000111.4A308 A309 E310 L314 K315 Q316A308-H312 WeakPolarHBondContact O-CB 3.48Å; A308-H312 PolarHBondContact O-N 3.3Å; A309-H312 PolarHBondContact O-N 3.48Å; E310-H312 VanDerWaalsContact C-N 3.3Å; E310-H312 PolarHBondContact O-N 3.11Å; H312-L314 VanDerWaalsContact C-N 3.34Å; H312-L314 PolarHBondContact O-N 3.28Å; H312-K315 WeakPolarHBondContact O-CB 3.47Å; H312-K315 PolarHBondContact O-N 2.91Å; H312-Q316 PolarHBondContact CE1-NE2 3.46Å; H312-Q316 PolarHBondContact NE2-NE2 2.9Å; H312-Q316 VanDerWaalsContact NE2-NE2 3.16Å; H312-Q316 WeakPolarHBondContact O-CG 3.46Å; H312-Q316 PolarHBondContact O-N 3.47Å; H312-Q316 VanDerWaalsContact O-N 3.11Å
313R95Very high91.3Very high105 Ų10566.6 Ų66.640%0.39635%0.354SS..Hα-helixtrans-59.3-44.3175.3-174.7-1716572.71.3111.4A309 E310 Q316A309-R313 WeakPolarHBondContact O-CB 3.24Å; A309-R313 PolarHBondContact O-N 2.79Å; E310-R313 WeakPolarHBondContact O-CB 3.18Å; E310-R313 PolarHBondContact O-N 2.77Å; E310-R313 IonicContact OE2-CZ 2.81Å; E310-R313 IonicContact OE2-NE 3.08Å; E310-R313 PolarHBondContact OE2-NE 3.4Å; E310-R313 IonicContact OE2-NH2 3.44Å; E310-R313 PolarHBondContact OE2-NH2 3.17Å; E310-R313 VanDerWaalsContact OE2-NH2 3.08Å; R313-Q316 PolarHBondContact O-N 2.84Å
314L93.6Very high92Very high3 Ų365 Ų652%0.01635%0.348CS..Hα-helixtrans-62-42.5175.2-69.1179.8000111.9Y184 E310 L311 H312 Q316 Q317 D324 F325 V328Y184-L314 HydrophobicContact CE1-CB 3.75Å; Y184-L314 HydrophobicContact CE1-CD1 4.01Å; Y184-L314 HydrophobicContact CE2-CB 4.42Å; E310-L314 WeakPolarHBondContact O-CG 3.38Å; E310-L314 PolarHBondContact O-N 2.91Å; L311-L314 PolarHBondContact O-N 3.38Å; H312-L314 VanDerWaalsContact C-N 3.34Å; H312-L314 PolarHBondContact O-N 3.28Å; L314-Q316 PolarHBondContact O-N 3.38Å; L314-Q317 WeakPolarHBondContact O-CB 3.44Å; L314-Q317 PolarHBondContact O-N 2.93Å; L314-Q317 VanDerWaalsContact O-N 3.09Å; L314-D324 HydrophobicContact CD2-CB 3.74Å; L314-F325 HydrophobicContact CD1-CD2 4.24Å; L314-V328 HydrophobicContact CD1-CB 3.89Å; L314-V328 HydrophobicContact CD1-CG1 4.25Å; L314-V328 HydrophobicContact CD1-CG2 3.74Å; L314-V328 HydrophobicContact CG-CG2 4.27Å
315K92.3Very high92.6Very high91 Ų9162.5 Ų62.540%0.39634%0.336SS..Hα-helixtrans-58.9-31175.4175.3178.3174.7-176.50113.3Y184 L311 H312 Q317Y184-K315 HydrophobicContact CD2-CB 3.85Å; Y184-K315 HydrophobicContact CD2-CG 4.41Å; Y184-K315 HydrophobicContact CG-CB 4.11Å; L311-K315 PolarHBondContact O-N 3.49Å; H312-K315 WeakPolarHBondContact O-CB 3.47Å; H312-K315 PolarHBondContact O-N 2.91Å; K315-Q317 VanDerWaalsContact C-N 3.32Å
316Q92.3Very high93Very high125 Ų12557.5 Ų57.558%0.58431%0.309SS*.THydrogen-bonded Turntrans-81.1-9.5179.4-62.7-63.2-22.400113.3H312 R313 L314H312-Q316 PolarHBondContact CE1-NE2 3.46Å; H312-Q316 PolarHBondContact NE2-NE2 2.9Å; H312-Q316 VanDerWaalsContact NE2-NE2 3.16Å; H312-Q316 WeakPolarHBondContact O-CG 3.46Å; H312-Q316 PolarHBondContact O-N 3.47Å; H312-Q316 VanDerWaalsContact O-N 3.11Å; R313-Q316 PolarHBondContact O-N 2.84Å; L314-Q316 PolarHBondContact O-N 3.38Å
317Q91.3Very high93.3Very high49 Ų4959.3 Ų59.323%0.22931%0.312CS..  trans-72.6134.7177.5-67.2-178.6-24.300110.2L314 K315 L319 D324L314-Q317 WeakPolarHBondContact O-CB 3.44Å; L314-Q317 PolarHBondContact O-N 2.93Å; L314-Q317 VanDerWaalsContact O-N 3.09Å; K315-Q317 VanDerWaalsContact C-N 3.32Å; Q317-L319 VanDerWaalsContact C-N 3.27Å; Q317-L319 PolarHBondContact O-N 3.22Å; Q317-D324 PolarHBondContact NE2-OD2 3.27Å; Q317-D324 VanDerWaalsContact NE2-OD2 3.07Å
318P85.9Confident93.5Very high102 Ų10259.2 Ų59.266%0.66231%0.312SS*.SBendtrans-73.4-20.1179.929.5-35.4000113.1
319L89.9Confident93.8Very high92 Ų9257.3 Ų57.348%0.48230%0.296SS..SBendtrans-124.6135.8-179.3-63.3175.8000109.4E173 Q317 S321E173-L319 HydrophobicContact CB-CD2 4.26Å; E173-L319 HydrophobicContact CG-CD2 3.98Å; E173-L319 WeakPolarHBondContact OE2-CD2 3.41Å; Q317-L319 VanDerWaalsContact C-N 3.27Å; Q317-L319 PolarHBondContact O-N 3.22Å; L319-S321 PolarHBondContact O-N 3.29Å
320F92.9Very high93.9Very high45 Ų4556.8 Ų56.820%0.19729%0.285CS..  trans-76.3115176.6178.8-96.7000110.9H180 M183 Y267 I268 L322 F325H180-F320 AromaticContact CE1-CD2 3.84Å; H180-F320 AromaticContact CE1-CG 3.75Å; M183-F320 HydrophobicContact CE-CE2 4.28Å; Y267-F320 AromaticContact CD2-CD1 3.97Å; Y267-F320 HydrophobicContact CD2-CD1 3.97Å; Y267-F320 AromaticContact CD2-CE1 3.56Å; Y267-F320 HydrophobicContact CD2-CE1 3.56Å; Y267-F320 HydrophobicContact CD2-CZ 4.18Å; Y267-F320 HydrophobicContact CE2-CD1 4.09Å; Y267-F320 AromaticContact CE2-CE1 3.79Å; Y267-F320 HydrophobicContact CE2-CE1 3.79Å; Y267-F320 HydrophobicContact CE2-CZ 4.07Å; I268-F320 HydrophobicContact CG1-CZ 4.36Å; F320-L322 HydrophobicContact CE1-CB 4.12Å; F320-L322 HydrophobicContact CE1-CD1 4.39Å; F320-L322 HydrophobicContact CZ-CD1 4.47Å; F320-F325 HydrophobicContact CE2-CB 4.07Å; F320-F325 HydrophobicContact CE2-CD1 4.32Å; F320-F325 HydrophobicContact CE2-CD2 4.39Å; F320-F325 AromaticContact CE2-CG 4Å; F320-F325 HydrophobicContact CE2-CG 4Å; F320-F325 HydrophobicContact CZ-CB 4.09Å; F320-F325 AromaticContact CZ-CD1 3.96Å; F320-F325 HydrophobicContact CZ-CD1 3.96Å; F320-F325 HydrophobicContact CZ-CG 4.04Å
321S93.9Very high93.9Very high37 Ų3761.4 Ų61.426%0.25930%0.3SS..  trans-99.2113.5170175.40000109.8L319 V323 D324 F325L319-S321 PolarHBondContact O-N 3.29Å; S321-V323 PolarHBondContact O-N 3.46Å; S321-D324 PolarHBondContact O-N 3.27Å; S321-D324 PolarHBondContact OG-N 3.49Å; S321-D324 PolarHBondContact OG-OD1 2.9Å; S321-F325 WeakPolarHBondContact O-CB 3.5Å; S321-F325 PolarHBondContact O-N 2.87Å
322L94.3Very high93.9Very high56 Ų5661.2 Ų61.229%0.29330%0.299SS..Hα-helixtrans-60.9-35.4175.3177.861.5000111.6P269 F320 F325 E326P269-L322 HydrophobicContact CG-CD2 4.1Å; F320-L322 HydrophobicContact CE1-CB 4.12Å; F320-L322 HydrophobicContact CE1-CD1 4.39Å; F320-L322 HydrophobicContact CZ-CD1 4.47Å; L322-F325 HydrophobicContact CD1-CD1 4.38Å; L322-E326 VanDerWaalsContact O-CB 3.28Å; L322-E326 WeakPolarHBondContact O-CB 3.4Å; L322-E326 PolarHBondContact O-N 3.48Å
323V96.2Very high93.9Very high88 Ų8857.8 Ų57.853%0.53328%0.282SS..Hα-helixtrans-67-48.7-178.4178.80000110.6S321 F325 E326 Q327S321-V323 PolarHBondContact O-N 3.46Å; V323-F325 VanDerWaalsContact C-N 3.31Å; V323-F325 PolarHBondContact O-N 3.34Å; V323-E326 PolarHBondContact O-N 3.38Å; V323-Q327 VanDerWaalsContact O-CG 3.28Å; V323-Q327 WeakPolarHBondContact O-CG 3.42Å; V323-Q327 PolarHBondContact O-N 2.9Å
324D95.6Very high93.9Very high47 Ų4755.3 Ų55.325%0.25128%0.281SS..Hα-helixtrans-63.9-41.5179-62.620000110.6L314 Q317 S321 Q327 V328L314-D324 HydrophobicContact CD2-CB 3.74Å; Q317-D324 PolarHBondContact NE2-OD2 3.27Å; Q317-D324 VanDerWaalsContact NE2-OD2 3.07Å; S321-D324 PolarHBondContact O-N 3.27Å; S321-D324 PolarHBondContact OG-N 3.49Å; S321-D324 PolarHBondContact OG-OD1 2.9Å; D324-Q327 PolarHBondContact O-N 3.22Å; D324-V328 WeakPolarHBondContact O-CG2 3.32Å; D324-V328 PolarHBondContact O-N 3.36Å
325F96.6Very high93.7Very high1 Ų156.8 Ų56.80%0.00429%0.29CS..Hα-helixtrans-60.6-50.4176.6176.4-112.5000111.8Y184 L187 I268 V272 I276 L314 F320 S321 L322 V323 Q327 V328 V329Y184-F325 AromaticContact CE1-CD2 3.84Å; Y184-F325 HydrophobicContact CE1-CD2 3.84Å; Y184-F325 AromaticContact CE1-CE2 3.98Å; Y184-F325 HydrophobicContact CE1-CE2 3.98Å; L187-F325 HydrophobicContact CD1-CE2 3.75Å; L187-F325 HydrophobicContact CD1-CZ 3.91Å; I268-F325 HydrophobicContact CG2-CE1 4.31Å; V272-F325 HydrophobicContact CG1-CD1 4.27Å; V272-F325 HydrophobicContact CG1-CE1 3.73Å; I276-F325 HydrophobicContact CD1-CE1 4.3Å; I276-F325 HydrophobicContact CD1-CZ 3.87Å; L314-F325 HydrophobicContact CD1-CD2 4.24Å; F320-F325 HydrophobicContact CE2-CB 4.07Å; F320-F325 HydrophobicContact CE2-CD1 4.32Å; F320-F325 HydrophobicContact CE2-CD2 4.39Å; F320-F325 AromaticContact CE2-CG 4Å; F320-F325 HydrophobicContact CE2-CG 4Å; F320-F325 HydrophobicContact CZ-CB 4.09Å; F320-F325 AromaticContact CZ-CD1 3.96Å; F320-F325 HydrophobicContact CZ-CD1 3.96Å; F320-F325 HydrophobicContact CZ-CG 4.04Å; S321-F325 WeakPolarHBondContact O-CB 3.5Å; S321-F325 PolarHBondContact O-N 2.87Å; L322-F325 HydrophobicContact CD1-CD1 4.38Å; V323-F325 VanDerWaalsContact C-N 3.31Å; V323-F325 PolarHBondContact O-N 3.34Å; F325-Q327 VanDerWaalsContact C-N 3.34Å; F325-Q327 PolarHBondContact O-N 3.32Å; F325-V328 PolarHBondContact O-N 3.32Å; F325-V329 HydrophobicContact CD2-CG2 4.43Å; F325-V329 HydrophobicContact CE1-CG2 4.23Å; F325-V329 HydrophobicContact CE2-CG2 4.03Å; F325-V329 HydrophobicContact CZ-CG2 3.93Å; F325-V329 WeakPolarHBondContact O-CG2 3.49Å; F325-V329 PolarHBondContact O-N 2.92Å; F325-V329 VanDerWaalsContact O-N 3.07Å
326E96.3Very high93.6Very high28 Ų2852.4 Ų52.413%0.13127%0.271CS..Hα-helixtrans-62.7-40.4179.6178.1164-160.300111.8R271 V272 K275 L322 V323 V328 V329 D330R271-E326 IonicContact CZ-OE1 2.7Å; R271-E326 IonicContact CZ-OE2 3.89Å; R271-E326 IonicContact NH1-OE1 2.96Å; R271-E326 PolarHBondContact NH1-OE1 2.87Å; R271-E326 IonicContact NH1-OE2 3.92Å; R271-E326 PolarHBondContact NH1-OE2 3.33Å; R271-E326 IonicContact NH2-OE1 3.39Å; R271-E326 PolarHBondContact NH2-OE1 3.01Å; R271-E326 IonicContact NH2-OE2 3.49Å; R271-E326 PolarHBondContact NH2-OE2 2.91Å; V272-E326 HydrophobicContact CG2-CG 4.19Å; K275-E326 IonicContact NZ-OE1 3.26Å; K275-E326 PolarHBondContact NZ-OE1 3.27Å; L322-E326 VanDerWaalsContact O-CB 3.28Å; L322-E326 WeakPolarHBondContact O-CB 3.4Å; L322-E326 PolarHBondContact O-N 3.48Å; V323-E326 PolarHBondContact O-N 3.38Å; E326-V328 VanDerWaalsContact C-N 3.33Å; E326-V328 PolarHBondContact O-N 2.9Å; E326-V329 PolarHBondContact O-N 3.5Å; E326-D330 WeakPolarHBondContact O-CB 3.45Å; E326-D330 PolarHBondContact O-N 2.88Å
327Q96.6Very high93.5Very high114 Ų11446.5 Ų46.553%0.53324%0.244SC..Hα-helixtrans-59.4-41.7176.7-75.6175.910.800112.6V323 D324 F325 D330 R331V323-Q327 VanDerWaalsContact O-CG 3.28Å; V323-Q327 WeakPolarHBondContact O-CG 3.42Å; V323-Q327 PolarHBondContact O-N 2.9Å; D324-Q327 PolarHBondContact O-N 3.22Å; F325-Q327 VanDerWaalsContact C-N 3.34Å; F325-Q327 PolarHBondContact O-N 3.32Å; Q327-D330 PolarHBondContact O-N 3.08Å; Q327-R331 VanDerWaalsContact O-CG 3.31Å; Q327-R331 WeakPolarHBondContact O-CG 3.38Å; Q327-R331 PolarHBondContact O-N 3.5Å
328V96.3Very high93.5Very high7 Ų747.9 Ų47.94%0.04225%0.25CS..Hα-helixtrans-67.6-44.2177.2174.10000110.6E310 L311 L314 D324 F325 E326 D330 R331 I332E310-V328 HydrophobicContact CB-CG1 4.05Å; E310-V328 HydrophobicContact CB-CG2 4.2Å; L311-V328 HydrophobicContact CD2-CG1 3.95Å; L311-V328 HydrophobicContact CG-CG1 4.37Å; L314-V328 HydrophobicContact CD1-CB 3.89Å; L314-V328 HydrophobicContact CD1-CG1 4.25Å; L314-V328 HydrophobicContact CD1-CG2 3.74Å; L314-V328 HydrophobicContact CG-CG2 4.27Å; D324-V328 WeakPolarHBondContact O-CG2 3.32Å; D324-V328 PolarHBondContact O-N 3.36Å; F325-V328 PolarHBondContact O-N 3.32Å; E326-V328 VanDerWaalsContact C-N 3.33Å; E326-V328 PolarHBondContact O-N 2.9Å; V328-D330 VanDerWaalsContact C-N 3.32Å; V328-D330 PolarHBondContact O-N 3.32Å; V328-R331 PolarHBondContact O-N 3.45Å; V328-I332 HydrophobicContact CG1-CD1 3.97Å; V328-I332 WeakPolarHBondContact O-CG1 3.32Å; V328-I332 PolarHBondContact O-N 2.95Å
329V96.7Very high93.6Very high1 Ų144.1 Ų44.11%0.00622%0.224CC..Hα-helixtrans-59.4-43.3175.6172.70000111.2M191 V272 K275 I276 F325 E326 R331 I332 R333M191-V329 HydrophobicContact CE-CB 4.49Å; M191-V329 HydrophobicContact CE-CG1 4.19Å; M191-V329 HydrophobicContact CE-CG2 4.32Å; V272-V329 HydrophobicContact CG1-CG1 4.33Å; V272-V329 HydrophobicContact CG1-CG2 4.47Å; K275-V329 HydrophobicContact CB-CG1 3.86Å; K275-V329 HydrophobicContact CD-CG1 4.41Å; I276-V329 HydrophobicContact CD1-CG2 4.34Å; I276-V329 HydrophobicContact CG1-CG1 3.88Å; I276-V329 HydrophobicContact CG1-CG2 4.14Å; F325-V329 HydrophobicContact CD2-CG2 4.43Å; F325-V329 HydrophobicContact CE1-CG2 4.23Å; F325-V329 HydrophobicContact CE2-CG2 4.03Å; F325-V329 HydrophobicContact CZ-CG2 3.93Å; F325-V329 WeakPolarHBondContact O-CG2 3.49Å; F325-V329 PolarHBondContact O-N 2.92Å; F325-V329 VanDerWaalsContact O-N 3.07Å; E326-V329 PolarHBondContact O-N 3.5Å; V329-R331 PolarHBondContact O-N 3.21Å; V329-I332 PolarHBondContact O-N 3.38Å; V329-R333 VanDerWaalsContact O-CB 3.32Å; V329-R333 WeakPolarHBondContact O-CB 3.39Å; V329-R333 PolarHBondContact O-N 3.33Å
330D95.2Very high93.4Very high48 Ų4839.8 Ų39.826%0.25720%0.201SC..Hα-helixtrans-66.1-36.9179.4-83.2-22.9000113.3K275 E326 Q327 V328 S334K275-D330 VanDerWaalsContact CD-OD1 3.23Å; K275-D330 WeakPolarHBondContact CD-OD1 3.39Å; K275-D330 VanDerWaalsContact CE-OD1 3.23Å; K275-D330 WeakPolarHBondContact CE-OD1 3.28Å; K275-D330 VanDerWaalsContact NZ-CG 3.34Å; K275-D330 IonicContact NZ-OD1 3.48Å; K275-D330 PolarHBondContact NZ-OD1 3.18Å; K275-D330 IonicContact NZ-OD2 3.41Å; K275-D330 PolarHBondContact NZ-OD2 3.47Å; E326-D330 WeakPolarHBondContact O-CB 3.45Å; E326-D330 PolarHBondContact O-N 2.88Å; Q327-D330 PolarHBondContact O-N 3.08Å; V328-D330 VanDerWaalsContact C-N 3.32Å; V328-D330 PolarHBondContact O-N 3.32Å; D330-S334 VanDerWaalsContact O-CB 3.3Å; D330-S334 WeakPolarHBondContact O-CB 3.21Å; D330-S334 PolarHBondContact O-N 2.94Å; D330-S334 PolarHBondContact O-OG 3.42Å
331R94.6Very high93.3Very high144 Ų14438.7 Ų38.754%0.54320%0.196SC..Hα-helixtrans-65.2-47.4174.1-73177.590.2-158.85.8111.1F307 E310 Q327 V328 V329 S334 T335F307-R331 HydrophobicContact CE1-CB 4.38Å; E310-R331 IonicContact OE1-NH1 2.74Å; Q327-R331 VanDerWaalsContact O-CG 3.31Å; Q327-R331 WeakPolarHBondContact O-CG 3.38Å; Q327-R331 PolarHBondContact O-N 3.5Å; V328-R331 PolarHBondContact O-N 3.45Å; V329-R331 PolarHBondContact O-N 3.21Å; R331-S334 PolarHBondContact O-N 3.46Å; R331-T335 PolarHBondContact O-N 3.03Å; R331-T335 PolarHBondContact O-OG1 2.99Å
332I93.7Very high93Very high0 Ų039.1 Ų39.10%019%0.193CC..Hα-helixtrans-60.6-48.5177.4-61.4164.9000109.9M191 V279 L300 F307 L311 V328 V329 S334 T335 V336M191-I332 HydrophobicContact CE-CB 3.99Å; M191-I332 HydrophobicContact CE-CD1 3.81Å; M191-I332 HydrophobicContact CE-CG2 3.92Å; V279-I332 HydrophobicContact CG1-CG2 3.71Å; V279-I332 HydrophobicContact CG2-CG2 4.35Å; L300-I332 HydrophobicContact CD2-CG2 4.45Å; F307-I332 HydrophobicContact CB-CD1 4.23Å; F307-I332 HydrophobicContact CB-CG1 4.09Å; F307-I332 HydrophobicContact CD1-CD1 4.34Å; F307-I332 HydrophobicContact CD1-CG1 3.47Å; F307-I332 VanDerWaalsContact CD1-CG1 3.47Å; F307-I332 HydrophobicContact CD2-CG1 4.17Å; F307-I332 HydrophobicContact CE1-CG1 3.84Å; F307-I332 HydrophobicContact CE2-CG1 4.48Å; F307-I332 HydrophobicContact CG-CD1 4.35Å; F307-I332 HydrophobicContact CG-CG1 3.66Å; F307-I332 HydrophobicContact CZ-CG1 4.33Å; L311-I332 HydrophobicContact CD1-CD1 4.41Å; V328-I332 HydrophobicContact CG1-CD1 3.97Å; V328-I332 WeakPolarHBondContact O-CG1 3.32Å; V328-I332 PolarHBondContact O-N 2.95Å; V329-I332 PolarHBondContact O-N 3.38Å; I332-S334 PolarHBondContact O-N 3.09Å; I332-T335 PolarHBondContact O-N 2.73Å; I332-V336 HydrophobicContact CG2-CG2 4.45Å; I332-V336 WeakPolarHBondContact O-CG2 2.88Å; I332-V336 PolarHBondContact O-N 3.31Å
333R93.8Very high92.6Very high30 Ų3036.7 Ų36.711%0.11318%0.18CC..Hα-helixtrans-55.5-48.2177.6-172.1-146.468.890.69.7112K275 F278 V279 V329 V336 A337 D553 E555K275-R333 HydrophobicContact CB-CG 4.48Å; F278-R333 HydrophobicContact CD1-CG 3.97Å; F278-R333 HydrophobicContact CE1-CG 4.19Å; V279-R333 HydrophobicContact CG2-CB 3.85Å; V279-R333 HydrophobicContact CG2-CG 4.2Å; V329-R333 VanDerWaalsContact O-CB 3.32Å; V329-R333 WeakPolarHBondContact O-CB 3.39Å; V329-R333 PolarHBondContact O-N 3.33Å; R333-V336 PolarHBondContact O-N 3.37Å; R333-A337 VanDerWaalsContact O-CB 3.28Å; R333-A337 WeakPolarHBondContact O-CB 3.22Å; R333-A337 PolarHBondContact O-N 2.84Å; R333-D553 IonicContact CZ-OD2 2.61Å; R333-D553 IonicContact NH1-OD1 3.09Å; R333-D553 IonicContact NH1-OD2 3.93Å; R333-D553 PolarHBondContact NH1-OD2 3.17Å; R333-D553 IonicContact NH2-OD2 3.02Å; R333-D553 PolarHBondContact NH2-OD2 3.25Å; R333-E555 IonicContact NH1-OE2 2.81Å; R333-E555 PolarHBondContact NH1-OE2 3.4Å; R333-E555 VanDerWaalsContact NH1-OE2 3.16Å
334S93Very high92.1Very high53 Ų5332.6 Ų32.637%0.37116%0.155SC..Hα-helixtrans-66.2-39.8-177.2-55.50000112D330 R331 I332 A337 E338D330-S334 VanDerWaalsContact O-CB 3.3Å; D330-S334 WeakPolarHBondContact O-CB 3.21Å; D330-S334 PolarHBondContact O-N 2.94Å; D330-S334 PolarHBondContact O-OG 3.42Å; R331-S334 PolarHBondContact O-N 3.46Å; I332-S334 PolarHBondContact O-N 3.09Å; S334-A337 PolarHBondContact O-N 3.25Å; S334-E338 WeakPolarHBondContact O-CB 3.46Å; S334-E338 PolarHBondContact O-N 3.08Å
335T91.2Very high91.8Very high34 Ų3431.5 Ų31.521%0.20915%0.15CC..Hα-helixtrans-62.1-46.1173.9-66.70000111.8L300 Q303 F307 R331 I332 H339L300-T335 HydrophobicContact CD2-CG2 4.5Å; Q303-T335 PolarHBondContact OE1-OG1 3.45Å; F307-T335 HydrophobicContact CE2-CG2 4.16Å; F307-T335 HydrophobicContact CZ-CG2 4.26Å; R331-T335 PolarHBondContact O-N 3.03Å; R331-T335 PolarHBondContact O-OG1 2.99Å; I332-T335 PolarHBondContact O-N 2.73Å; T335-H339 PolarHBondContact O-N 2.98Å
336V90.1Very high91.3Very high0 Ų036.8 Ų36.80%018%0.175CC..Hα-helixtrans-62.1-48.2177.8168.90000110.7F278 V279 I299 L300 I332 R333 E338 H339 L340F278-V336 HydrophobicContact CE1-CG1 4.37Å; V279-V336 HydrophobicContact CG1-CG2 4.31Å; I299-V336 HydrophobicContact CD1-CG1 3.82Å; I299-V336 HydrophobicContact CG1-CG1 4.49Å; L300-V336 HydrophobicContact CD2-CG2 3.43Å; L300-V336 VanDerWaalsContact CD2-CG2 3.43Å; I332-V336 HydrophobicContact CG2-CG2 4.45Å; I332-V336 WeakPolarHBondContact O-CG2 2.88Å; I332-V336 PolarHBondContact O-N 3.31Å; R333-V336 PolarHBondContact O-N 3.37Å; V336-E338 PolarHBondContact O-N 3.21Å; V336-H339 PolarHBondContact O-N 2.99Å; V336-L340 HydrophobicContact CG1-CD1 4.12Å; V336-L340 HydrophobicContact CG1-CG 4.42Å; V336-L340 WeakPolarHBondContact O-CG 3.19Å; V336-L340 PolarHBondContact O-N 3.17Å
337A90.4Very high90.8Very high1 Ų140 Ų401%0.00819%0.19CC..Hα-helixtrans-62.6-40.3-179.200000113F278 R333 S334 H339 L340 W341 D553 F554F278-A337 HydrophobicContact CE1-CB 4.3Å; F278-A337 HydrophobicContact CZ-CB 4.45Å; R333-A337 VanDerWaalsContact O-CB 3.28Å; R333-A337 WeakPolarHBondContact O-CB 3.22Å; R333-A337 PolarHBondContact O-N 2.84Å; S334-A337 PolarHBondContact O-N 3.25Å; A337-H339 VanDerWaalsContact C-N 3.35Å; A337-L340 PolarHBondContact O-N 2.99Å; A337-W341 WeakPolarHBondContact O-CB 3.28Å; A337-W341 PolarHBondContact O-N 3.46Å; A337-D553 WeakPolarHBondContact CB-OD1 3.47Å; A337-F554 WeakPolarHBondContact O-CB 3.19Å; A337-F554 PolarHBondContact O-N 3.04Å
338E90.5Very high90.2Very high77 Ų7736 Ų3636%0.3618%0.175SC..Hα-helixtrans-66-38.6175.3-171.8-172.3159.100111.4S334 V336 W341 K342 R552S334-E338 WeakPolarHBondContact O-CB 3.46Å; S334-E338 PolarHBondContact O-N 3.08Å; V336-E338 PolarHBondContact O-N 3.21Å; E338-W341 WeakPolarHBondContact O-CB 3.17Å; E338-W341 PolarHBondContact O-N 2.98Å; E338-K342 WeakPolarHBondContact O-CG 3.37Å; E338-K342 PolarHBondContact O-N 3.18Å; E338-K342 VanDerWaalsContact OE1-CE 3.28Å; E338-K342 WeakPolarHBondContact OE1-CE 3.24Å; E338-K342 IonicContact OE1-NZ 2.71Å; E338-K342 PolarHBondContact OE1-NZ 2.9Å; E338-R552 WeakPolarHBondContact CA-O 3.29Å
339H87.1Confident89.9Confident23 Ų2340 Ų4011%0.10620%0.195CC..Hα-helixtrans-65.9-46.9176.3-170.4120.5000111.8I299 K301 T335 V336 A337 W341 K342 L343I299-H339 HydrophobicContact CG1-CB 3.91Å; I299-H339 VanDerWaalsContact O-CG 3.28Å; I299-H339 PolarHBondContact O-ND1 3.35Å; K301-H339 WeakPolarHBondContact CD-ND1 3.43Å; K301-H339 WeakPolarHBondContact CE-CE1 3.31Å; K301-H339 WeakPolarHBondContact CE-ND1 3.29Å; T335-H339 PolarHBondContact O-N 2.98Å; V336-H339 PolarHBondContact O-N 2.99Å; A337-H339 VanDerWaalsContact C-N 3.35Å; H339-W341 PolarHBondContact O-N 3.36Å; H339-K342 PolarHBondContact O-N 2.86Å; H339-K342 VanDerWaalsContact O-N 3.13Å; H339-L343 PolarHBondContact O-N 3.24Å
340L86.6Confident89.6Confident1 Ų139.9 Ų39.91%0.00520%0.195CC..Hα-helixtrans-55.8-43.6175-70.8174.7000111.2F278 F286 I299 V336 A337 K342 L343 M344 I465 F554F278-L340 HydrophobicContact CE2-CD1 4.23Å; F278-L340 HydrophobicContact CZ-CD1 3.73Å; F286-L340 HydrophobicContact CD2-CD2 4.35Å; F286-L340 HydrophobicContact CE2-CD2 3.22Å; F286-L340 HydrophobicContact CZ-CD2 3.51Å; I299-L340 HydrophobicContact CD1-CD2 3.68Å; I299-L340 HydrophobicContact CD1-CG 3.92Å; V336-L340 HydrophobicContact CG1-CD1 4.12Å; V336-L340 HydrophobicContact CG1-CG 4.42Å; V336-L340 WeakPolarHBondContact O-CG 3.19Å; V336-L340 PolarHBondContact O-N 3.17Å; A337-L340 PolarHBondContact O-N 2.99Å; L340-K342 PolarHBondContact O-N 3.45Å; L340-L343 PolarHBondContact O-N 3.13Å; L340-M344 WeakPolarHBondContact O-CB 3.45Å; L340-M344 VanDerWaalsContact O-CG 3.32Å; L340-M344 WeakPolarHBondContact O-CG 3.14Å; L340-M344 PolarHBondContact O-N 2.93Å; L340-I465 HydrophobicContact CD2-CD1 4.46Å; L340-F554 HydrophobicContact CB-CB 3.69Å; L340-F554 HydrophobicContact CB-CD1 4.12Å; L340-F554 HydrophobicContact CB-CG 3.85Å; L340-F554 HydrophobicContact CD1-CB 4.41Å; L340-F554 HydrophobicContact CD1-CD1 3.62Å; L340-F554 HydrophobicContact CD1-CE1 4.29Å; L340-F554 HydrophobicContact CD1-CG 4.21Å; L340-F554 HydrophobicContact CG-CD1 4.48Å
341W90.8Very high89.5Confident23 Ų2340.1 Ų40.19%0.08720%0.196CC..Hα-helixtrans-57.9-48.9175.917996.5000111.4A337 E338 H339 L343 M344 V345 E346 T551 R552 F554 I557A337-W341 WeakPolarHBondContact O-CB 3.28Å; A337-W341 PolarHBondContact O-N 3.46Å; E338-W341 WeakPolarHBondContact O-CB 3.17Å; E338-W341 PolarHBondContact O-N 2.98Å; H339-W341 PolarHBondContact O-N 3.36Å; W341-L343 PolarHBondContact O-N 3.43Å; W341-M344 PolarHBondContact O-N 3.49Å; W341-V345 HydrophobicContact CD2-CB 4.5Å; W341-V345 HydrophobicContact CD2-CG2 4.33Å; W341-V345 HydrophobicContact CG-CG2 4.32Å; W341-V345 HydrophobicContact CZ2-CB 4.38Å; W341-V345 HydrophobicContact CZ2-CG1 4.17Å; W341-V345 WeakPolarHBondContact O-CB 3.32Å; W341-V345 WeakPolarHBondContact O-CG2 3.42Å; W341-V345 PolarHBondContact O-N 2.92Å; W341-E346 HydrophobicContact CH2-CG 4.47Å; W341-E346 HydrophobicContact CZ3-CG 4.18Å; W341-E346 VanDerWaalsContact CZ3-OE1 3.32Å; W341-E346 WeakPolarHBondContact CZ3-OE1 3.25Å; W341-T551 PolarHBondContact NE1-O 3.25Å; W341-R552 HydrophobicContact CD2-CB 4.24Å; W341-R552 HydrophobicContact CE3-CB 4.42Å; W341-R552 HydrophobicContact CH2-CG 4.43Å; W341-R552 HydrophobicContact CZ2-CG 4.31Å; W341-F554 HydrophobicContact CB-CB 4.42Å; W341-I557 HydrophobicContact CG-CD1 4.4Å
342K88.3Confident89.3Confident46 Ų4634.1 Ų34.120%0.218%0.179CC..Iπ-helixtrans-60.6-46.9177.9-70.9178.5-176.3161.10111.3E338 H339 L340 M344 E346 E347E338-K342 WeakPolarHBondContact O-CG 3.37Å; E338-K342 PolarHBondContact O-N 3.18Å; E338-K342 VanDerWaalsContact OE1-CE 3.28Å; E338-K342 WeakPolarHBondContact OE1-CE 3.24Å; E338-K342 IonicContact OE1-NZ 2.71Å; E338-K342 PolarHBondContact OE1-NZ 2.9Å; H339-K342 PolarHBondContact O-N 2.86Å; H339-K342 VanDerWaalsContact O-N 3.13Å; L340-K342 PolarHBondContact O-N 3.45Å; K342-M344 VanDerWaalsContact C-N 3.34Å; K342-M344 PolarHBondContact O-N 3.33Å; K342-E346 WeakPolarHBondContact O-CA 3.46Å; K342-E346 VanDerWaalsContact O-CB 3.23Å; K342-E346 WeakPolarHBondContact O-CB 3.32Å; K342-E346 PolarHBondContact O-N 2.96Å; K342-E347 PolarHBondContact O-N 3.48Å
343L85.9Confident89.2Confident5 Ų535.8 Ų35.83%0.02619%0.187CC..Iπ-helixtrans-59.7-45.6179-177.875.3000111.6F286 H339 L340 W341 E347 S348 W461 P462F286-L343 HydrophobicContact CE1-CD2 3.55Å; F286-L343 HydrophobicContact CE2-CD2 4.24Å; F286-L343 HydrophobicContact CZ-CD2 3.23Å; F286-L343 HydrophobicContact CZ-CG 4.49Å; H339-L343 PolarHBondContact O-N 3.24Å; L340-L343 PolarHBondContact O-N 3.13Å; W341-L343 PolarHBondContact O-N 3.43Å; L343-E347 HydrophobicContact CD1-CB 4.21Å; L343-E347 HydrophobicContact CD1-CG 4.49Å; L343-E347 VanDerWaalsContact CD1-OE2 3.31Å; L343-E347 WeakPolarHBondContact CD1-OE2 3.41Å; L343-E347 CarbonylContact O-C 3.6Å; L343-E347 WeakPolarHBondContact O-CB 3.14Å; L343-E347 PolarHBondContact O-N 3.13Å; L343-S348 WeakPolarHBondContact O-CB 3.47Å; L343-S348 PolarHBondContact O-N 3.02Å; L343-S348 PolarHBondContact O-OG 2.91Å; L343-W461 HydrophobicContact CD1-CH2 4.12Å; L343-W461 HydrophobicContact CD1-CZ3 4.29Å; L343-W461 HydrophobicContact CD2-CH2 3.49Å; L343-W461 VanDerWaalsContact CD2-CH2 3.49Å; L343-W461 HydrophobicContact CD2-CZ2 3.83Å; L343-W461 HydrophobicContact CD2-CZ3 4.1Å; L343-W461 HydrophobicContact CG-CH2 4.41Å; L343-P462 HydrophobicContact CD2-CB 3.71Å; L343-P462 HydrophobicContact CD2-CG 3.67Å; L343-P462 HydrophobicContact CG-CG 3.94Å
344M85.4Confident89.2Confident1 Ų134.6 Ų34.61%0.00518%0.183CC..Iπ-helixtrans-76.7-45.6-174.7-69.1-175.664.800112.6L340 W341 K342 S348 D349 L350 P462 L463 L466 F554L340-M344 WeakPolarHBondContact O-CB 3.45Å; L340-M344 VanDerWaalsContact O-CG 3.32Å; L340-M344 WeakPolarHBondContact O-CG 3.14Å; L340-M344 PolarHBondContact O-N 2.93Å; W341-M344 PolarHBondContact O-N 3.49Å; K342-M344 VanDerWaalsContact C-N 3.34Å; K342-M344 PolarHBondContact O-N 3.33Å; M344-S348 CarbonylContact O-C 3.55Å; M344-D349 PolarHBondContact O-N 2.85Å; M344-L350 VanDerWaalsContact O-CB 3.26Å; M344-L350 WeakPolarHBondContact O-CB 3.4Å; M344-L350 PolarHBondContact O-N 3.48Å; M344-P462 HydrophobicContact CG-CB 4.49Å; M344-P462 HydrophobicContact CG-CG 3.94Å; M344-L463 HydrophobicContact CB-CD2 4.23Å; M344-L463 HydrophobicContact CE-CD2 3.76Å; M344-L463 HydrophobicContact CG-CD2 4.29Å; M344-L466 HydrophobicContact CE-CB 3.87Å; M344-L466 HydrophobicContact CE-CD2 4.5Å; M344-F554 HydrophobicContact CE-CD2 4.23Å; M344-F554 HydrophobicContact CE-CE2 3.49Å; M344-F554 VanDerWaalsContact CE-CE2 3.49Å; M344-F554 HydrophobicContact CE-CZ 4.21Å; M344-F554 HydrophobicContact SD-CD2 3.41Å; M344-F554 WeakPolarHBondContact SD-CD2 3.37Å; M344-F554 HydrophobicContact SD-CE2 3.07Å; M344-F554 WeakPolarHBondContact SD-CE2 3.41Å; M344-F554 HydrophobicContact SD-CG 4.35Å; M344-F554 HydrophobicContact SD-CZ 3.74Å
345V88.1Confident89.1Confident24 Ų2437.8 Ų37.815%0.14519%0.19CC..Iπ-helixtrans-82.2-47.2-174.8-179.10000111.6W341 L350 I557W341-V345 HydrophobicContact CD2-CB 4.5Å; W341-V345 HydrophobicContact CD2-CG2 4.33Å; W341-V345 HydrophobicContact CG-CG2 4.32Å; W341-V345 HydrophobicContact CZ2-CB 4.38Å; W341-V345 HydrophobicContact CZ2-CG1 4.17Å; W341-V345 WeakPolarHBondContact O-CB 3.32Å; W341-V345 WeakPolarHBondContact O-CG2 3.42Å; W341-V345 PolarHBondContact O-N 2.92Å; V345-L350 HydrophobicContact CG2-CD2 4.12Å; V345-I557 HydrophobicContact CG2-CD1 3.75Å
346E86.3Confident89.2Confident112 Ų11236.9 Ų36.952%0.52318%0.184SC..Iπ-helixtrans-87.2-43.6-174.2-55.5177.2167.900111.8W341 K342 R552W341-E346 HydrophobicContact CH2-CG 4.47Å; W341-E346 HydrophobicContact CZ3-CG 4.18Å; W341-E346 VanDerWaalsContact CZ3-OE1 3.32Å; W341-E346 WeakPolarHBondContact CZ3-OE1 3.25Å; K342-E346 WeakPolarHBondContact O-CA 3.46Å; K342-E346 VanDerWaalsContact O-CB 3.23Å; K342-E346 WeakPolarHBondContact O-CB 3.32Å; K342-E346 PolarHBondContact O-N 2.96Å; E346-R552 IonicContact OE1-NH2 3.85Å
347E86.2Confident89.3Confident96 Ų9637 Ų3745%0.44918%0.184SC..Iπ-helixtrans-92.9-26.1-172.8-53.2-175.2-159.600114.3R295 K342 L343R295-E347 IonicContact CZ-OE2 3.86Å; R295-E347 IonicContact NH1-OE2 3.33Å; R295-E347 PolarHBondContact NH1-OE2 3.1Å; R295-E347 IonicContact NH2-OE2 3.4Å; K342-E347 PolarHBondContact O-N 3.48Å; L343-E347 HydrophobicContact CD1-CB 4.21Å; L343-E347 HydrophobicContact CD1-CG 4.49Å; L343-E347 VanDerWaalsContact CD1-OE2 3.31Å; L343-E347 WeakPolarHBondContact CD1-OE2 3.41Å; L343-E347 CarbonylContact O-C 3.6Å; L343-E347 WeakPolarHBondContact O-CB 3.14Å; L343-E347 PolarHBondContact O-N 3.13Å
348S84.6Confident89.5Confident30 Ų3038.7 Ų38.721%0.2119%0.192CC..SBendtrans-114.27.7-172.7-47.50000114.1L343 M344 L350 P462L343-S348 WeakPolarHBondContact O-CB 3.47Å; L343-S348 PolarHBondContact O-N 3.02Å; L343-S348 PolarHBondContact O-OG 2.91Å; M344-S348 CarbonylContact O-C 3.55Å; S348-L350 PolarHBondContact O-N 3.03Å; S348-P462 WeakPolarHBondContact OG-CD 3.46Å; S348-P462 VanDerWaalsContact OG-CG 3.3Å; S348-P462 WeakPolarHBondContact OG-CG 3.42Å
349D89Confident89.6Confident90 Ų9035.8 Ų35.848%0.48118%0.178SC..  trans45.855179.5-171.624000113.9M344 L351 G352 Q353M344-D349 PolarHBondContact O-N 2.85Å; D349-L351 PolarHBondContact O-N 2.5Å; D349-L351 VanDerWaalsContact O-N 3.14Å; D349-G352 PolarHBondContact O-N 3.28Å; D349-G352 VanDerWaalsContact O-N 3.1Å; D349-G352 PolarHBondContact OD1-N 3.41Å; D349-G352 WeakPolarHBondContact OD2-CA 3.46Å; D349-Q353 PolarHBondContact O-N 3.41Å; D349-Q353 VanDerWaalsContact O-N 3.07Å
350L91.8Very high89.9Confident0 Ų034.7 Ų34.70%017%0.173CC..Hα-helixtrans-52.1-36.6176.8173.462.8000112.2M344 V345 S348 Q353 L354 L463 L466 F467 I557M344-L350 VanDerWaalsContact O-CB 3.26Å; M344-L350 WeakPolarHBondContact O-CB 3.4Å; M344-L350 PolarHBondContact O-N 3.48Å; V345-L350 HydrophobicContact CG2-CD2 4.12Å; S348-L350 PolarHBondContact O-N 3.03Å; L350-Q353 PolarHBondContact O-N 3.28Å; L350-L354 HydrophobicContact CD1-CD1 4.13Å; L350-L354 HydrophobicContact CD1-CG 4.07Å; L350-L354 HydrophobicContact CG-CD1 3.96Å; L350-L354 HydrophobicContact CG-CG 4.36Å; L350-L354 WeakPolarHBondContact O-CB 3.06Å; L350-L354 WeakPolarHBondContact O-CG 3.22Å; L350-L354 PolarHBondContact O-N 2.99Å; L350-L463 HydrophobicContact CB-CD2 4.2Å; L350-L463 HydrophobicContact CD1-CD2 3.99Å; L350-L466 HydrophobicContact CD1-CD2 3.59Å; L350-L466 HydrophobicContact CD2-CD2 4.28Å; L350-F467 HydrophobicContact CD1-CE2 4.01Å; L350-F467 HydrophobicContact CD1-CZ 4.19Å; L350-I557 HydrophobicContact CD2-CD1 4.32Å; L350-I557 HydrophobicContact CD2-CG2 3.95Å
351L91.7Very high90.2Very high52 Ų5234.6 Ų34.627%0.27217%0.173SC..Hα-helixtrans-66.3-42.7179.9-64.9-175.4000112D349 Q353 L354 K355 L545 I548D349-L351 PolarHBondContact O-N 2.5Å; D349-L351 VanDerWaalsContact O-N 3.14Å; L351-Q353 VanDerWaalsContact C-N 3.35Å; L351-L354 PolarHBondContact O-N 3.49Å; L351-K355 PolarHBondContact O-N 3.16Å; L351-L545 HydrophobicContact CD1-CD1 4.32Å; L351-L545 HydrophobicContact CD2-CD1 3.41Å; L351-L545 VanDerWaalsContact CD2-CD1 3.41Å; L351-L545 HydrophobicContact CG-CD1 4.4Å; L351-I548 HydrophobicContact CD2-CG2 3.84Å
352G91.3Very high90.4Very high18 Ų1834 Ų3419%0.18617%0.171CC..Hα-helixtrans-59.9-43.8171.900000112.2D349 K355 I356D349-G352 PolarHBondContact O-N 3.28Å; D349-G352 VanDerWaalsContact O-N 3.1Å; D349-G352 PolarHBondContact OD1-N 3.41Å; D349-G352 WeakPolarHBondContact OD2-CA 3.46Å; G352-K355 WeakPolarHBondContact O-CB 3.49Å; G352-K355 PolarHBondContact O-N 3.48Å; G352-I356 WeakPolarHBondContact O-CG1 3.39Å; G352-I356 PolarHBondContact O-N 3.22Å
353Q91.1Very high90.7Very high35 Ų3532.2 Ų32.216%0.16416%0.164CC..Hα-helixtrans-69.4-37.6179.2-58.6-51.1-38.500113.3D349 L350 L351 K355 I356 I357 Y457 L463 F467D349-Q353 PolarHBondContact O-N 3.41Å; D349-Q353 VanDerWaalsContact O-N 3.07Å; L350-Q353 PolarHBondContact O-N 3.28Å; L351-Q353 VanDerWaalsContact C-N 3.35Å; Q353-K355 VanDerWaalsContact C-N 3.26Å; Q353-K355 PolarHBondContact O-N 2.97Å; Q353-I356 WeakPolarHBondContact O-CB 3.36Å; Q353-I356 PolarHBondContact O-N 3.42Å; Q353-I356 VanDerWaalsContact O-N 3.15Å; Q353-I357 WeakPolarHBondContact O-CG1 3.49Å; Q353-I357 PolarHBondContact O-N 2.81Å; Q353-Y457 PolarHBondContact OE1-OH 3.28Å; Q353-L463 HydrophobicContact CB-CD1 3.8Å; Q353-L463 HydrophobicContact CG-CD1 3.36Å; Q353-F467 HydrophobicContact CB-CE2 4.47Å
354L93.1Very high90.9Very high5 Ų534.2 Ų34.23%0.02619%0.185CC..Hα-helixtrans-61.6-36.9171.4-77.4168.8000111.9L350 L351 I357 K358 F467 F541 L544 I548L350-L354 HydrophobicContact CD1-CD1 4.13Å; L350-L354 HydrophobicContact CD1-CG 4.07Å; L350-L354 HydrophobicContact CG-CD1 3.96Å; L350-L354 HydrophobicContact CG-CG 4.36Å; L350-L354 WeakPolarHBondContact O-CB 3.06Å; L350-L354 WeakPolarHBondContact O-CG 3.22Å; L350-L354 PolarHBondContact O-N 2.99Å; L351-L354 PolarHBondContact O-N 3.49Å; L354-I357 PolarHBondContact O-N 2.85Å; L354-K358 WeakPolarHBondContact O-CB 3.28Å; L354-K358 PolarHBondContact O-N 3.48Å; L354-F467 HydrophobicContact CD2-CE1 3.93Å; L354-F467 HydrophobicContact CD2-CZ 3.64Å; L354-F467 HydrophobicContact CG-CZ 4.1Å; L354-F541 HydrophobicContact CB-CE2 4.37Å; L354-F541 HydrophobicContact CB-CZ 4.44Å; L354-L544 HydrophobicContact CD2-CD2 4.29Å; L354-I548 HydrophobicContact CD1-CD1 3.33Å
355K92.1Very high91.1Very high120 Ų12037.5 Ų37.552%0.52220%0.198SC..Hα-helixtrans-65.6-40173.6-172.4-179.3178.4-175.10111.6L351 G352 Q353 K358 D359L351-K355 PolarHBondContact O-N 3.16Å; G352-K355 WeakPolarHBondContact O-CB 3.49Å; G352-K355 PolarHBondContact O-N 3.48Å; Q353-K355 VanDerWaalsContact C-N 3.26Å; Q353-K355 PolarHBondContact O-N 2.97Å; K355-K358 WeakPolarHBondContact O-CB 3.22Å; K355-K358 PolarHBondContact O-N 3.38Å; K355-D359 WeakPolarHBondContact O-CB 3.3Å; K355-D359 PolarHBondContact O-N 2.85Å
356I92Very high91.1Very high16 Ų1637.5 Ų37.58%0.08220%0.203CC..Hα-helixtrans-61.7-48.3173.3-68.5157.6000110.1G352 Q353 K358 D359 F360 L410 Y457G352-I356 WeakPolarHBondContact O-CG1 3.39Å; G352-I356 PolarHBondContact O-N 3.22Å; Q353-I356 WeakPolarHBondContact O-CB 3.36Å; Q353-I356 PolarHBondContact O-N 3.42Å; Q353-I356 VanDerWaalsContact O-N 3.15Å; I356-K358 VanDerWaalsContact C-N 3.29Å; I356-K358 PolarHBondContact O-N 2.93Å; I356-D359 PolarHBondContact O-N 3.41Å; I356-D359 VanDerWaalsContact O-N 3.12Å; I356-F360 HydrophobicContact CG2-CD2 3.74Å; I356-F360 HydrophobicContact CG2-CE2 3.98Å; I356-F360 VanDerWaalsContact O-CD2 3.23Å; I356-F360 WeakPolarHBondContact O-CD2 3.18Å; I356-F360 PolarHBondContact O-N 2.49Å; I356-L410 HydrophobicContact CD1-CD2 3.43Å; I356-L410 VanDerWaalsContact CD1-CD2 3.43Å; I356-L410 HydrophobicContact CG1-CD1 4.41Å; I356-L410 HydrophobicContact CG1-CD2 4.12Å; I356-Y457 HydrophobicContact CG2-CE2 4.11Å
357I93.3Very high91.4Very high3 Ų338.1 Ų38.12%0.01521%0.206CC..Hα-helixtrans-56.6-44175.7-66-64.2000111.2Q353 L354 Y361 L362 Y457 F467 L472 Y475Q353-I357 WeakPolarHBondContact O-CG1 3.49Å; Q353-I357 PolarHBondContact O-N 2.81Å; L354-I357 PolarHBondContact O-N 2.85Å; I357-Y361 HydrophobicContact CD1-CD2 3.71Å; I357-Y361 HydrophobicContact CD1-CE2 3.65Å; I357-Y361 HydrophobicContact CG2-CD2 4.1Å; I357-Y361 WeakPolarHBondContact O-CA 3.4Å; I357-Y361 WeakPolarHBondContact O-CB 3.44Å; I357-Y361 PolarHBondContact O-N 2.9Å; I357-L362 PolarHBondContact O-N 2.84Å; I357-Y457 HydrophobicContact CD1-CD1 3.65Å; I357-Y457 HydrophobicContact CD1-CE1 4.1Å; I357-Y457 HydrophobicContact CD1-CG 3.99Å; I357-F467 HydrophobicContact CG1-CD1 4.47Å; I357-F467 HydrophobicContact CG1-CE1 3.96Å; I357-F467 HydrophobicContact CG1-CZ 4.17Å; I357-L472 HydrophobicContact CD1-CD2 4.27Å; I357-Y475 HydrophobicContact CG2-CD1 3.96Å; I357-Y475 HydrophobicContact CG2-CD2 4.3Å; I357-Y475 HydrophobicContact CG2-CE1 3.7Å; I357-Y475 HydrophobicContact CG2-CE2 4.06Å; I357-Y475 HydrophobicContact CG2-CG 4.26Å
358K94.3Very high91.7Very high36 Ų3633.7 Ų33.716%0.15719%0.185CC..Hα-helixtrans-61.2-47.6174.2-174.6-165.4-179.8-169.70112.2L354 K355 I356 F360 L362 G364 E538 F541L354-K358 WeakPolarHBondContact O-CB 3.28Å; L354-K358 PolarHBondContact O-N 3.48Å; K355-K358 WeakPolarHBondContact O-CB 3.22Å; K355-K358 PolarHBondContact O-N 3.38Å; I356-K358 VanDerWaalsContact C-N 3.29Å; I356-K358 PolarHBondContact O-N 2.93Å; K358-F360 VanDerWaalsContact C-N 3.29Å; K358-F360 PolarHBondContact O-N 3.23Å; K358-L362 HydrophobicContact CB-CD1 4.48Å; K358-L362 HydrophobicContact CG-CB 4.45Å; K358-L362 HydrophobicContact CG-CD1 4.32Å; K358-L362 CarbonylContact O-C 3.4Å; K358-L362 WeakPolarHBondContact O-CA 3.22Å; K358-L362 VanDerWaalsContact O-CB 3.27Å; K358-L362 WeakPolarHBondContact O-CB 3.43Å; K358-L362 PolarHBondContact O-N 3.39Å; K358-G364 PolarHBondContact O-N 2.91Å; K358-E538 WeakPolarHBondContact CE-OE2 3.49Å; K358-E538 IonicContact NZ-OE1 3.44Å; K358-E538 PolarHBondContact NZ-OE1 3.35Å; K358-E538 IonicContact NZ-OE2 2.83Å; K358-E538 PolarHBondContact NZ-OE2 3.47Å; K358-F541 HydrophobicContact CB-CD2 4.21Å; K358-F541 HydrophobicContact CB-CE2 3.79Å; K358-F541 HydrophobicContact CB-CZ 4.13Å; K358-F541 HydrophobicContact CD-CD1 3.72Å; K358-F541 HydrophobicContact CD-CD2 3.99Å; K358-F541 HydrophobicContact CD-CE1 3.72Å; K358-F541 HydrophobicContact CD-CE2 3.99Å; K358-F541 HydrophobicContact CD-CG 3.86Å; K358-F541 HydrophobicContact CD-CZ 3.85Å; K358-F541 HydrophobicContact CG-CD2 4.19Å; K358-F541 HydrophobicContact CG-CE2 4.2Å; K358-F541 HydrophobicContact CG-CG 4.45Å; K358-F541 HydrophobicContact CG-CZ 4.48Å
359D92.3Very high92.1Very high15 Ų1532.4 Ų32.48%0.0818%0.176CC..Hα-helixtrans-62-37.5-175.6-78.9-5.4000112K355 I356 G364 R365K355-D359 WeakPolarHBondContact O-CB 3.3Å; K355-D359 PolarHBondContact O-N 2.85Å; I356-D359 PolarHBondContact O-N 3.41Å; I356-D359 VanDerWaalsContact O-N 3.12Å; D359-G364 PolarHBondContact O-N 3.24Å; D359-G364 VanDerWaalsContact O-N 3.1Å; D359-R365 HydrophobicContact CB-CG 3.94Å; D359-R365 PolarHBondContact O-N 3.32Å; D359-R365 IonicContact OD2-CZ 3.65Å; D359-R365 VanDerWaalsContact OD2-CZ 3.26Å; D359-R365 IonicContact OD2-NE 2.8Å; D359-R365 PolarHBondContact OD2-NE 2.94Å; D359-R365 IonicContact OD2-NH2 3.28Å; D359-R365 PolarHBondContact OD2-NH2 3.44Å
360F93.1Very high92.3Very high0 Ų029.8 Ų29.80%016%0.161CC..Hα-helixtrans-101-55.8-174.7-65.8-81.5000113.9I356 K358 L368 F369 F396 L405 L414 L455 F479I356-F360 HydrophobicContact CG2-CD2 3.74Å; I356-F360 HydrophobicContact CG2-CE2 3.98Å; I356-F360 VanDerWaalsContact O-CD2 3.23Å; I356-F360 WeakPolarHBondContact O-CD2 3.18Å; I356-F360 PolarHBondContact O-N 2.49Å; K358-F360 VanDerWaalsContact C-N 3.29Å; K358-F360 PolarHBondContact O-N 3.23Å; F360-L368 HydrophobicContact CD1-CD2 4.25Å; F360-L368 HydrophobicContact CE1-CD2 3.66Å; F360-F369 HydrophobicContact CD1-CZ 4.33Å; F360-F369 WeakPolarHBondContact O-CE2 3.36Å; F360-F369 WeakPolarHBondContact O-CZ 3.41Å; F360-F396 AromaticContact CD1-CZ 3.91Å; F360-F396 HydrophobicContact CD1-CZ 3.91Å; F360-F396 HydrophobicContact CE1-CE1 4.48Å; F360-F396 AromaticContact CE1-CZ 3.86Å; F360-F396 HydrophobicContact CE1-CZ 3.86Å; F360-L405 HydrophobicContact CZ-CD2 4.34Å; F360-L414 HydrophobicContact CB-CD2 4.26Å; F360-L414 HydrophobicContact CD1-CD1 3.66Å; F360-L414 HydrophobicContact CD2-CD1 3.52Å; F360-L414 HydrophobicContact CD2-CD2 4.3Å; F360-L414 HydrophobicContact CE1-CD1 3.5Å; F360-L414 VanDerWaalsContact CE1-CD1 3.5Å; F360-L414 HydrophobicContact CE2-CD1 3.41Å; F360-L414 VanDerWaalsContact CE2-CD1 3.41Å; F360-L414 HydrophobicContact CG-CD1 3.67Å; F360-L414 HydrophobicContact CG-CD2 4.16Å; F360-L414 HydrophobicContact CZ-CD1 3.38Å; F360-L455 HydrophobicContact CB-CD2 3.81Å; F360-F479 WeakPolarHBondContact O-CD2 3.35Å
361Y94.3Very high92.4Very high0 Ų030.1 Ų30.10%016%0.164CC..Hα-helixtrans-71.2-33.4179.8-77-85.6000112.5I357 L363 L455 Y457 L472 Y475 F479I357-Y361 HydrophobicContact CD1-CD2 3.71Å; I357-Y361 HydrophobicContact CD1-CE2 3.65Å; I357-Y361 HydrophobicContact CG2-CD2 4.1Å; I357-Y361 WeakPolarHBondContact O-CA 3.4Å; I357-Y361 WeakPolarHBondContact O-CB 3.44Å; I357-Y361 PolarHBondContact O-N 2.9Å; Y361-L363 WeakPolarHBondContact O-CD1 3.36Å; Y361-L455 HydrophobicContact CD1-CB 4.35Å; Y361-L455 HydrophobicContact CD1-CD2 3.93Å; Y361-L455 HydrophobicContact CD1-CG 4.48Å; Y361-L455 HydrophobicContact CD2-CD2 3.84Å; Y361-L455 HydrophobicContact CE1-CB 3.9Å; Y361-L455 HydrophobicContact CE1-CD2 3.98Å; Y361-L455 HydrophobicContact CE1-CG 4.06Å; Y361-L455 HydrophobicContact CE2-CD2 3.88Å; Y361-L455 HydrophobicContact CE2-CG 4.26Å; Y361-L455 HydrophobicContact CG-CD2 3.88Å; Y361-L455 PolarHBondContact OH-O 3.28Å; Y361-Y457 PolarHBondContact OH-N 3.07Å; Y361-L472 HydrophobicContact CE2-CD2 4.28Å; Y361-Y475 HydrophobicContact CG-CG 4.44Å; Y361-F479 HydrophobicContact CD1-CB 4.02Å; Y361-F479 VanDerWaalsContact O-CA 3.28Å; Y361-F479 WeakPolarHBondContact O-CA 3.26Å; Y361-F479 VanDerWaalsContact O-CB 3.32Å; Y361-F479 WeakPolarHBondContact O-CB 3.11Å
362L95.1Very high92.5Very high9 Ų927.7 Ų27.75%0.04715%0.151CC..THydrogen-bonded Turntrans-10012.3-178.2-48.4-178.3000113I357 K358 G364 Y475 V478 L482 L537 F564 L568I357-L362 PolarHBondContact O-N 2.84Å; K358-L362 HydrophobicContact CB-CD1 4.48Å; K358-L362 HydrophobicContact CG-CB 4.45Å; K358-L362 HydrophobicContact CG-CD1 4.32Å; K358-L362 CarbonylContact O-C 3.4Å; K358-L362 WeakPolarHBondContact O-CA 3.22Å; K358-L362 VanDerWaalsContact O-CB 3.27Å; K358-L362 WeakPolarHBondContact O-CB 3.43Å; K358-L362 PolarHBondContact O-N 3.39Å; L362-G364 PolarHBondContact O-N 3.41Å; L362-Y475 HydrophobicContact CD2-CD1 4.13Å; L362-Y475 HydrophobicContact CD2-CE1 4.38Å; L362-V478 HydrophobicContact CD2-CB 4.45Å; L362-V478 HydrophobicContact CD2-CG1 3.77Å; L362-L482 HydrophobicContact CB-CD1 4.45Å; L362-L482 HydrophobicContact CD2-CD1 4.45Å; L362-L537 HydrophobicContact CB-CD1 4.46Å; L362-L537 HydrophobicContact CB-CD2 3.82Å; L362-L537 HydrophobicContact CD1-CD2 3.69Å; L362-L537 HydrophobicContact CD2-CD2 3.93Å; L362-L537 HydrophobicContact CG-CD2 4Å; L362-F564 HydrophobicContact CD1-CZ 3.97Å; L362-L568 HydrophobicContact CD1-CD2 4.12Å; L362-L568 HydrophobicContact CD2-CD2 3.65Å
363L93.4Very high92.6Very high10 Ų1027 Ų275%0.05214%0.143CC..  trans53.735.1178.5-67.273.1000113.2Y361 R365 F369 F479 L482 L483 R486Y361-L363 WeakPolarHBondContact O-CD1 3.36Å; L363-R365 PolarHBondContact O-N 2.96Å; L363-F369 HydrophobicContact CB-CD2 4.06Å; L363-F369 HydrophobicContact CB-CE2 4.4Å; L363-F369 HydrophobicContact CD2-CB 4.46Å; L363-F369 HydrophobicContact CD2-CG 4.36Å; L363-F369 HydrophobicContact CG-CD2 3.92Å; L363-F369 HydrophobicContact CG-CE2 4.18Å; L363-F369 HydrophobicContact CG-CG 4.12Å; L363-F479 HydrophobicContact CD1-CD2 3.65Å; L363-F479 HydrophobicContact CD1-CE2 4.1Å; L363-L482 HydrophobicContact CD1-CB 3.59Å; L363-L482 HydrophobicContact CD1-CD1 4.09Å; L363-L482 HydrophobicContact CD2-CB 4.23Å; L363-L482 HydrophobicContact CG-CB 4.44Å; L363-L483 HydrophobicContact CD2-CB 4.29Å; L363-L483 HydrophobicContact CD2-CD1 4.19Å; L363-R486 HydrophobicContact CD2-CB 4.23Å
364G90.1Very high92.6Very high46 Ų4629.9 Ų29.947%0.47416%0.16SC..  trans-57.5-32.2175.500000112.8K358 D359 L362 G366K358-G364 PolarHBondContact O-N 2.91Å; D359-G364 PolarHBondContact O-N 3.24Å; D359-G364 VanDerWaalsContact O-N 3.1Å; L362-G364 PolarHBondContact O-N 3.41Å; G364-G366 PolarHBondContact O-N 3.27Å
365R89.4Confident92.6Very high70 Ų7031.5 Ų31.526%0.26417%0.169SC..  trans-88.771.2172.9-66.8-179.4-173.6-92.2-3.9111.7D359 L363 E367 L368 F369 L405D359-R365 HydrophobicContact CB-CG 3.94Å; D359-R365 PolarHBondContact O-N 3.32Å; D359-R365 IonicContact OD2-CZ 3.65Å; D359-R365 VanDerWaalsContact OD2-CZ 3.26Å; D359-R365 IonicContact OD2-NE 2.8Å; D359-R365 PolarHBondContact OD2-NE 2.94Å; D359-R365 IonicContact OD2-NH2 3.28Å; D359-R365 PolarHBondContact OD2-NH2 3.44Å; L363-R365 PolarHBondContact O-N 2.96Å; R365-E367 VanDerWaalsContact C-N 3.26Å; R365-E367 PolarHBondContact O-N 3.38Å; R365-L368 HydrophobicContact CB-CB 3.93Å; R365-L368 HydrophobicContact CB-CD2 4.42Å; R365-L368 WeakPolarHBondContact O-CB 3.35Å; R365-L368 PolarHBondContact O-N 2.93Å; R365-L368 VanDerWaalsContact O-N 3.14Å; R365-F369 WeakPolarHBondContact O-CD2 3.1Å; R365-F369 PolarHBondContact O-N 3.42Å; R365-L405 VanDerWaalsContact NH1-CD1 3.28Å
366G89.7Confident92.6Very high25 Ų2525.8 Ų25.826%0.25815%0.145SC..Hα-helixtrans-57.8-33.8-176.400000114.7G364 Q370G364-G366 PolarHBondContact O-N 3.27Å; G366-Q370 VanDerWaalsContact O-CB 3.31Å; G366-Q370 WeakPolarHBondContact O-CB 3.23Å; G366-Q370 PolarHBondContact O-N 3.37Å
367E91.3Very high92.3Very high125 Ų12526.5 Ų26.558%0.58415%0.148SC*.Hα-helixtrans-66.3-40.7176.249.2177.9-163.700113.4R365 Q370 A371 V403R365-E367 VanDerWaalsContact C-N 3.26Å; R365-E367 PolarHBondContact O-N 3.38Å; E367-Q370 PolarHBondContact O-N 3.11Å; E367-A371 PolarHBondContact O-N 3.09Å; E367-V403 HydrophobicContact CB-CG1 4.13Å; E367-V403 HydrophobicContact CG-CG1 3.64Å; E367-V403 WeakPolarHBondContact OE1-CG1 3.23Å
368L93.1Very high92Very high3 Ų332.9 Ų32.92%0.01618%0.177CC..Hα-helixtrans-62.1-52.3176.2172.561.6000110.4F360 R365 Q370 A371 F372 F396 A400F360-L368 HydrophobicContact CD1-CD2 4.25Å; F360-L368 HydrophobicContact CE1-CD2 3.66Å; R365-L368 HydrophobicContact CB-CB 3.93Å; R365-L368 HydrophobicContact CB-CD2 4.42Å; R365-L368 WeakPolarHBondContact O-CB 3.35Å; R365-L368 PolarHBondContact O-N 2.93Å; R365-L368 VanDerWaalsContact O-N 3.14Å; L368-Q370 VanDerWaalsContact C-N 3.27Å; L368-Q370 PolarHBondContact O-N 2.96Å; L368-A371 PolarHBondContact O-N 2.79Å; L368-F372 WeakPolarHBondContact O-CB 3.41Å; L368-F372 PolarHBondContact O-N 3.44Å; L368-F396 HydrophobicContact CD2-CE2 4.15Å; L368-F396 HydrophobicContact CD2-CZ 4.08Å; L368-F396 HydrophobicContact CG-CE2 4.35Å; L368-A400 VanDerWaalsContact CD1-CA 3.48Å; L368-A400 HydrophobicContact CD1-CB 3.94Å
369F93.4Very high91.7Very high2 Ų232.7 Ų32.71%0.00918%0.177CC..Hα-helixtrans-67.4-30.2-179.4-73.9-73.1000112.3F360 L363 R365 F372 I373 F396 F479 L483F360-F369 HydrophobicContact CD1-CZ 4.33Å; F360-F369 WeakPolarHBondContact O-CE2 3.36Å; F360-F369 WeakPolarHBondContact O-CZ 3.41Å; L363-F369 HydrophobicContact CB-CD2 4.06Å; L363-F369 HydrophobicContact CB-CE2 4.4Å; L363-F369 HydrophobicContact CD2-CB 4.46Å; L363-F369 HydrophobicContact CD2-CG 4.36Å; L363-F369 HydrophobicContact CG-CD2 3.92Å; L363-F369 HydrophobicContact CG-CE2 4.18Å; L363-F369 HydrophobicContact CG-CG 4.12Å; R365-F369 WeakPolarHBondContact O-CD2 3.1Å; R365-F369 PolarHBondContact O-N 3.42Å; F369-F372 HydrophobicContact CD1-CD1 4.41Å; F369-I373 WeakPolarHBondContact O-CB 3.49Å; F369-I373 WeakPolarHBondContact O-CD1 3.07Å; F369-I373 WeakPolarHBondContact O-CG1 3.17Å; F369-I373 PolarHBondContact O-N 2.96Å; F369-F396 HydrophobicContact CE1-CE2 4.13Å; F369-F396 HydrophobicContact CZ-CE2 4.47Å; F369-F479 HydrophobicContact CD1-CE2 4.48Å; F369-F479 AromaticContact CE1-CE2 3.65Å; F369-F479 HydrophobicContact CE1-CE2 3.65Å; F369-F479 HydrophobicContact CE1-CZ 4.14Å; F369-F479 AromaticContact CZ-CE2 3.93Å; F369-F479 HydrophobicContact CZ-CE2 3.93Å; F369-L483 HydrophobicContact CD1-CD1 4.31Å
370Q93.2Very high91.5Very high35 Ų3532 Ų3216%0.16417%0.173CC..Hα-helixtrans-62.4-51.3170.5-174.161.45300111.4G366 E367 L368 F372 I373 D374G366-Q370 VanDerWaalsContact O-CB 3.31Å; G366-Q370 WeakPolarHBondContact O-CB 3.23Å; G366-Q370 PolarHBondContact O-N 3.37Å; E367-Q370 PolarHBondContact O-N 3.11Å; L368-Q370 VanDerWaalsContact C-N 3.27Å; L368-Q370 PolarHBondContact O-N 2.96Å; Q370-F372 VanDerWaalsContact C-N 3.28Å; Q370-F372 PolarHBondContact O-N 3.26Å; Q370-I373 PolarHBondContact O-N 2.87Å; Q370-D374 PolarHBondContact NE2-OD1 3.18Å; Q370-D374 VanDerWaalsContact NE2-OD1 3.07Å; Q370-D374 PolarHBondContact O-N 3.43Å
371A93.2Very high91Very high8 Ų837.9 Ų37.97%0.06620%0.199CC..Hα-helixtrans-61.6-37.7178.200000112.3E367 L368 T375 S399 V403E367-A371 PolarHBondContact O-N 3.09Å; L368-A371 PolarHBondContact O-N 2.79Å; A371-T375 WeakPolarHBondContact O-CB 3.48Å; A371-T375 PolarHBondContact O-N 3.42Å; A371-T375 VanDerWaalsContact O-N 3.1Å; A371-T375 PolarHBondContact O-OG1 3Å; A371-S399 PolarHBondContact O-OG 3.48Å; A371-V403 HydrophobicContact CB-CG2 3.95Å
372F94.7Very high90.5Very high0 Ų041.6 Ų41.60%022%0.222CC..Hα-helixtrans-64.9-48.2174.6171.1-108.7000112.3L368 F369 Q370 D374 T375 A376 L380 V392 F396 S399 L416 W450 L453L368-F372 WeakPolarHBondContact O-CB 3.41Å; L368-F372 PolarHBondContact O-N 3.44Å; F369-F372 HydrophobicContact CD1-CD1 4.41Å; Q370-F372 VanDerWaalsContact C-N 3.28Å; Q370-F372 PolarHBondContact O-N 3.26Å; F372-D374 VanDerWaalsContact C-N 3.29Å; F372-D374 PolarHBondContact O-N 3.03Å; F372-T375 PolarHBondContact O-N 2.94Å; F372-A376 HydrophobicContact CD2-CB 4.14Å; F372-A376 HydrophobicContact CE1-CB 4.45Å; F372-A376 HydrophobicContact CE2-CB 3.72Å; F372-A376 HydrophobicContact CZ-CB 3.89Å; F372-A376 VanDerWaalsContact O-CB 3.29Å; F372-A376 WeakPolarHBondContact O-CB 3.39Å; F372-A376 PolarHBondContact O-N 3.13Å; F372-L380 HydrophobicContact CZ-CD1 4.31Å; F372-V392 HydrophobicContact CE2-CG1 4.07Å; F372-V392 HydrophobicContact CZ-CG1 3.91Å; F372-F396 HydrophobicContact CB-CD2 4.44Å; F372-F396 HydrophobicContact CD2-CB 3.95Å; F372-F396 AromaticContact CD2-CD2 3.89Å; F372-F396 HydrophobicContact CD2-CD2 3.89Å; F372-F396 HydrophobicContact CD2-CG 4.44Å; F372-F396 HydrophobicContact CE2-CB 3.97Å; F372-F396 HydrophobicContact CE2-CD2 4.3Å; F372-F396 HydrophobicContact CG-CD2 4.07Å; F372-S399 VanDerWaalsContact CA-OG 3.23Å; F372-S399 WeakPolarHBondContact CA-OG 3.41Å; F372-S399 PolarHBondContact N-OG 3.03Å; F372-L416 HydrophobicContact CE1-CD1 4.41Å; F372-L416 HydrophobicContact CE2-CD1 3.78Å; F372-L416 HydrophobicContact CZ-CD1 3.63Å; F372-W450 HydrophobicContact CE1-CH2 4.45Å; F372-W450 HydrophobicContact CE1-CZ3 4.17Å; F372-L453 HydrophobicContact CE1-CD2 4.05Å; F372-L453 HydrophobicContact CZ-CD2 4.23Å
373I93.3Very high90Very high4 Ų445.2 Ų45.22%0.02125%0.246CC..Hα-helixtrans-56.6-47.2176.9-71.8162.1000109.9F369 Q370 T375 A376 Q377 W450 L483 R486 R487F369-I373 WeakPolarHBondContact O-CB 3.49Å; F369-I373 WeakPolarHBondContact O-CD1 3.07Å; F369-I373 WeakPolarHBondContact O-CG1 3.17Å; F369-I373 PolarHBondContact O-N 2.96Å; Q370-I373 PolarHBondContact O-N 2.87Å; I373-T375 VanDerWaalsContact C-N 3.29Å; I373-T375 PolarHBondContact O-N 3.27Å; I373-A376 PolarHBondContact O-N 3.33Å; I373-Q377 VanDerWaalsContact O-CB 3.27Å; I373-Q377 WeakPolarHBondContact O-CB 3.25Å; I373-Q377 PolarHBondContact O-N 3.45Å; I373-W450 HydrophobicContact CG1-CH2 4.33Å; I373-L483 HydrophobicContact CD1-CD1 3.95Å; I373-L483 HydrophobicContact CG1-CD1 4.08Å; I373-R486 HydrophobicContact CD1-CB 4.35Å; I373-R486 HydrophobicContact CD1-CG 3.84Å; I373-R487 HydrophobicContact CD1-CB 4.45Å; I373-R487 HydrophobicContact CG2-CG 4.24Å
374D91.1Very high89.6Confident96 Ų9645.8 Ų45.851%0.51325%0.25SS..Hα-helixtrans-60.8-38.6-179.4-65-20000112.1Q370 F372Q370-D374 PolarHBondContact NE2-OD1 3.18Å; Q370-D374 VanDerWaalsContact NE2-OD1 3.07Å; Q370-D374 PolarHBondContact O-N 3.43Å; F372-D374 VanDerWaalsContact C-N 3.29Å; F372-D374 PolarHBondContact O-N 3.03Å
375T92Very high89.4Confident38 Ų3847.3 Ų47.323%0.23325%0.25CS..Hα-helixtrans-76.5-45.2-179.5-52.40000111.6A371 F372 I373 H378 A395A371-T375 WeakPolarHBondContact O-CB 3.48Å; A371-T375 PolarHBondContact O-N 3.42Å; A371-T375 VanDerWaalsContact O-N 3.1Å; A371-T375 PolarHBondContact O-OG1 3Å; F372-T375 PolarHBondContact O-N 2.94Å; I373-T375 VanDerWaalsContact C-N 3.29Å; I373-T375 PolarHBondContact O-N 3.27Å; T375-H378 PolarHBondContact O-CE1 3.37Å; T375-H378 PolarHBondContact O-ND1 3.14Å; T375-A395 HydrophobicContact CG2-CB 4.01Å
376A91.6Very high89.1Confident0 Ų047 Ų470%026%0.262CS..Hα-helixtrans-84.5-9.2-172.400000114.4F372 I373 H378 M379 L380 W450F372-A376 HydrophobicContact CD2-CB 4.14Å; F372-A376 HydrophobicContact CE1-CB 4.45Å; F372-A376 HydrophobicContact CE2-CB 3.72Å; F372-A376 HydrophobicContact CZ-CB 3.89Å; F372-A376 VanDerWaalsContact O-CB 3.29Å; F372-A376 WeakPolarHBondContact O-CB 3.39Å; F372-A376 PolarHBondContact O-N 3.13Å; I373-A376 PolarHBondContact O-N 3.33Å; A376-H378 VanDerWaalsContact C-N 3.31Å; A376-H378 PolarHBondContact O-N 2.87Å; A376-M379 HydrophobicContact CB-CG 4.3Å; A376-M379 HydrophobicContact CB-SD 4.44Å; A376-M379 WeakPolarHBondContact O-CG 3.3Å; A376-M379 PolarHBondContact O-N 2.75Å; A376-M379 VanDerWaalsContact O-N 3.16Å; A376-L380 HydrophobicContact CB-CD1 3.82Å; A376-L380 HydrophobicContact CB-CG 4.39Å; A376-L380 PolarHBondContact O-N 3.09Å; A376-W450 HydrophobicContact CB-CH2 4.16Å
377Q87.6Confident89Confident31 Ų3149.8 Ų49.815%0.14528%0.275CS..Hα-helixtrans-55.2-38.8-176.2-174.468.2-27.900114.9I373 K381 W450 E491I373-Q377 VanDerWaalsContact O-CB 3.27Å; I373-Q377 WeakPolarHBondContact O-CB 3.25Å; I373-Q377 PolarHBondContact O-N 3.45Å; Q377-K381 VanDerWaalsContact CD-CE 3.47Å; Q377-K381 HydrophobicContact CG-CD 4.42Å; Q377-K381 WeakPolarHBondContact O-CD 3.26Å; Q377-K381 WeakPolarHBondContact O-CG 3.3Å; Q377-W450 VanDerWaalsContact OE1-CZ2 3.27Å; Q377-W450 VanDerWaalsContact OE1-NE1 3.15Å; Q377-E491 PolarHBondContact NE2-OE1 3.43Å
378H85.5Confident88.8Confident138 Ų13844.3 Ų44.364%0.63925%0.25SC*.Hα-helixtrans-75.5-26.5-176.769.7-78000113.1T375 A376T375-H378 PolarHBondContact O-CE1 3.37Å; T375-H378 PolarHBondContact O-ND1 3.14Å; A376-H378 VanDerWaalsContact C-N 3.31Å; A376-H378 PolarHBondContact O-N 2.87Å
379M88.2Confident88.6Confident31 Ų3146 Ų4615%0.15326%0.258CS..Hα-helixtrans-98.3-26.2-172.545.2-172.5-60.100113.1A376 T382 D391 V392 A395A376-M379 HydrophobicContact CB-CG 4.3Å; A376-M379 HydrophobicContact CB-SD 4.44Å; A376-M379 WeakPolarHBondContact O-CG 3.3Å; A376-M379 PolarHBondContact O-N 2.75Å; A376-M379 VanDerWaalsContact O-N 3.16Å; M379-T382 PolarHBondContact O-OG1 2.6Å; M379-D391 HydrophobicContact CE-CB 3.32Å; M379-V392 HydrophobicContact CE-CB 4.48Å; M379-V392 HydrophobicContact CE-CG2 3.84Å; M379-A395 HydrophobicContact SD-CB 4.09Å
380L87.8Confident88.5Confident0 Ų051.9 Ų51.90%029%0.285CS..Hα-helixtrans-93.3-8.6176.9-70.5175.6000114F372 A376 T382 T388 V392 I418 S448 G449 W450 L453F372-L380 HydrophobicContact CZ-CD1 4.31Å; A376-L380 HydrophobicContact CB-CD1 3.82Å; A376-L380 HydrophobicContact CB-CG 4.39Å; A376-L380 PolarHBondContact O-N 3.09Å; L380-T382 VanDerWaalsContact C-N 3.32Å; L380-T388 HydrophobicContact CD2-CG2 3.99Å; L380-V392 HydrophobicContact CD1-CG2 4.14Å; L380-V392 HydrophobicContact CD2-CG2 3.44Å; L380-V392 VanDerWaalsContact CD2-CG2 3.44Å; L380-V392 HydrophobicContact CG-CG2 3.89Å; L380-I418 HydrophobicContact CD2-CD1 4.07Å; L380-S448 PolarHBondContact O-OG 2.97Å; L380-G449 WeakPolarHBondContact O-CA 3.29Å; L380-G449 PolarHBondContact O-N 2.73Å; L380-W450 HydrophobicContact CB-CD2 3.64Å; L380-W450 VanDerWaalsContact CB-CE2 3.46Å; L380-W450 HydrophobicContact CB-CE3 4.24Å; L380-W450 HydrophobicContact CB-CG 3.91Å; L380-W450 HydrophobicContact CB-CH2 4.47Å; L380-W450 HydrophobicContact CB-CZ2 3.95Å; L380-W450 HydrophobicContact CD1-CD2 3.9Å; L380-W450 HydrophobicContact CD1-CE3 3.59Å; L380-W450 HydrophobicContact CD1-CH2 3.61Å; L380-W450 HydrophobicContact CD1-CZ2 3.94Å; L380-W450 HydrophobicContact CD1-CZ3 3.43Å; L380-W450 VanDerWaalsContact CD1-CZ3 3.43Å; L380-W450 HydrophobicContact CG-CD2 4.42Å; L380-W450 PolarHBondContact O-N 3.39Å; L380-L453 HydrophobicContact CD1-CD2 4.31Å
381K83Confident88.4Confident124 Ų12453.6 Ų53.654%0.53930%0.295SS..SBendtrans-68.5-29.7172.2-88.7176.9179.2-179.70113.1Q377Q377-K381 VanDerWaalsContact CD-CE 3.47Å; Q377-K381 HydrophobicContact CG-CD 4.42Å; Q377-K381 WeakPolarHBondContact O-CD 3.26Å; Q377-K381 WeakPolarHBondContact O-CG 3.3Å
382T83.8Confident88.3Confident78 Ų7853.2 Ų53.248%0.47929%0.292SS..SBendtrans-83.6157.9176.749.40000111.1M379 L380 G449M379-T382 PolarHBondContact O-OG1 2.6Å; L380-T382 VanDerWaalsContact C-N 3.32Å; T382-G449 PolarHBondContact O-N 3Å; T382-G449 VanDerWaalsContact O-N 3.12Å
383P84.7Confident88.2Confident86 Ų8654 Ų5456%0.55830%0.296SS*.PPolyproline II helixtrans-55.1140.4170.3-25.735.4000111.2
384P85.8Confident88.1Confident21 Ų2156 Ų5614%0.13631%0.308CS..PPolyproline II helixtrans-68.9145.8-174.827.4-33.5000112.2T388 I418 P446 A452P384-T388 HydrophobicContact CB-CG2 4.45Å; P384-I418 HydrophobicContact CB-CG2 3.44Å; P384-I418 VanDerWaalsContact CB-CG2 3.44Å; P384-I418 HydrophobicContact CG-CG2 4.26Å; P384-P446 HydrophobicContact CG-CG 4.21Å; P384-A452 HydrophobicContact CG-CB 3.99Å
385T85.1Confident88.2Confident78 Ų7851.6 Ų51.648%0.47929%0.286SS..  trans-121.3171.3174.669.70000110.2V387 T388T385-V387 PolarHBondContact O-N 2.94Å; T385-V387 VanDerWaalsContact O-N 3.13Å; T385-T388 PolarHBondContact N-OG1 3.06Å; T385-T388 VanDerWaalsContact O-CB 3.3Å; T385-T388 WeakPolarHBondContact O-CB 3.4Å; T385-T388 PolarHBondContact O-N 3.23Å; T385-T388 VanDerWaalsContact O-N 3.07Å; T385-T388 PolarHBondContact O-OG1 2.97Å; T385-T388 PolarHBondContact OG1-OG1 2.79Å
386A82.3Confident88.2Confident63 Ų6350.1 Ų50.152%0.52128%0.276SS..THydrogen-bonded Turntrans-59.6-24.3178.400000114.3Y420A386-Y420 HydrophobicContact CB-CE2 3.74Å
387V87.8Confident88.2Confident85 Ų8554.5 Ų54.552%0.51530%0.296SS..THydrogen-bonded Turntrans-87.9-22.8179.5-170.20000111.6T385 E389 H390 D391T385-V387 PolarHBondContact O-N 2.94Å; T385-V387 VanDerWaalsContact O-N 3.13Å; V387-E389 PolarHBondContact O-N 2.96Å; V387-E389 VanDerWaalsContact O-N 3.15Å; V387-H390 PolarHBondContact O-N 3.04Å; V387-D391 PolarHBondContact O-N 2.95Å; V387-D391 VanDerWaalsContact O-N 3.09Å
388T88.3Confident88.3Confident10 Ų1058.5 Ų58.56%0.06132%0.315CS..Hα-helixtrans-56.4-36.5-176.9-57.10000112.3L380 P384 T385 D391 V392 I418L380-T388 HydrophobicContact CD2-CG2 3.99Å; P384-T388 HydrophobicContact CB-CG2 4.45Å; T385-T388 PolarHBondContact N-OG1 3.06Å; T385-T388 VanDerWaalsContact O-CB 3.3Å; T385-T388 WeakPolarHBondContact O-CB 3.4Å; T385-T388 PolarHBondContact O-N 3.23Å; T385-T388 VanDerWaalsContact O-N 3.07Å; T385-T388 PolarHBondContact O-OG1 2.97Å; T385-T388 PolarHBondContact OG1-OG1 2.79Å; T388-D391 PolarHBondContact O-N 2.97Å; T388-V392 HydrophobicContact CG2-CG2 4.07Å; T388-V392 VanDerWaalsContact O-CB 3.28Å; T388-V392 WeakPolarHBondContact O-CB 3.1Å; T388-V392 WeakPolarHBondContact O-CG2 3.23Å; T388-V392 PolarHBondContact O-N 3.37Å; T388-I418 HydrophobicContact CG2-CG1 4.44Å
389E89.4Confident88.6Confident39 Ų3952 Ų5218%0.18229%0.285CS..Hα-helixtrans-61.2-45.2176.5-166.2177.2126.900111.9V387 N393 H415 L416 I418 K423V387-E389 PolarHBondContact O-N 2.96Å; V387-E389 VanDerWaalsContact O-N 3.15Å; E389-N393 PolarHBondContact O-N 3.35Å; E389-N393 PolarHBondContact O-ND2 3.34Å; E389-H415 IonicContact OE1-CD2 3.38Å; E389-H415 IonicContact OE1-CE1 2.99Å; E389-H415 IonicContact OE1-NE2 2.64Å; E389-H415 PolarHBondContact OE1-NE2 2.81Å; E389-L416 WeakPolarHBondContact CG-O 3.21Å; E389-I418 HydrophobicContact CB-CB 4.09Å; E389-I418 HydrophobicContact CB-CG1 4.05Å; E389-I418 HydrophobicContact CG-CB 4.37Å; E389-I418 HydrophobicContact CG-CG1 4.28Å; E389-I418 PolarHBondContact OE2-N 3.46Å; E389-K423 IonicContact OE2-NZ 3.48Å; E389-K423 PolarHBondContact OE2-NZ 3.45Å
390H90.1Very high88.7Confident125 Ų12550.5 Ų50.558%0.57928%0.278SS*.Hα-helixtrans-65-49.3178.4179.468.9000111.4V387 V392 N393 V394V387-H390 PolarHBondContact O-N 3.04Å; H390-V392 VanDerWaalsContact C-N 3.3Å; H390-V392 PolarHBondContact O-N 3.27Å; H390-N393 PolarHBondContact O-N 3.41Å; H390-V394 WeakPolarHBondContact O-CG2 3.35Å; H390-V394 PolarHBondContact O-N 3.11Å
391D91.4Very high88.7Confident70 Ų7056.1 Ų56.137%0.37430%0.304SS..Hα-helixtrans-61.3-40.7-177.3-61.4-24.1000111.3M379 V387 T388 N393 V394 A395M379-D391 HydrophobicContact CE-CB 3.32Å; V387-D391 PolarHBondContact O-N 2.95Å; V387-D391 VanDerWaalsContact O-N 3.09Å; T388-D391 PolarHBondContact O-N 2.97Å; D391-N393 PolarHBondContact O-N 3.38Å; D391-V394 PolarHBondContact O-N 3.03Å; D391-A395 WeakPolarHBondContact O-CB 3.32Å; D391-A395 PolarHBondContact O-N 3.03Å
392V92Very high89Confident0 Ų057.3 Ų57.30%031%0.309CS..Hα-helixtrans-63.6-41178.6166.20000111.4F372 M379 L380 T388 H390 A395 F396 L416 I418 L453F372-V392 HydrophobicContact CE2-CG1 4.07Å; F372-V392 HydrophobicContact CZ-CG1 3.91Å; M379-V392 HydrophobicContact CE-CB 4.48Å; M379-V392 HydrophobicContact CE-CG2 3.84Å; L380-V392 HydrophobicContact CD1-CG2 4.14Å; L380-V392 HydrophobicContact CD2-CG2 3.44Å; L380-V392 VanDerWaalsContact CD2-CG2 3.44Å; L380-V392 HydrophobicContact CG-CG2 3.89Å; T388-V392 HydrophobicContact CG2-CG2 4.07Å; T388-V392 VanDerWaalsContact O-CB 3.28Å; T388-V392 WeakPolarHBondContact O-CB 3.1Å; T388-V392 WeakPolarHBondContact O-CG2 3.23Å; T388-V392 PolarHBondContact O-N 3.37Å; H390-V392 VanDerWaalsContact C-N 3.3Å; H390-V392 PolarHBondContact O-N 3.27Å; V392-A395 PolarHBondContact O-N 3.09Å; V392-F396 WeakPolarHBondContact O-CB 3.37Å; V392-F396 PolarHBondContact O-N 3.5Å; V392-L416 HydrophobicContact CG1-CB 3.95Å; V392-L416 HydrophobicContact CG1-CD1 3.51Å; V392-L416 HydrophobicContact CG1-CG 4.39Å; V392-I418 HydrophobicContact CG2-CD1 4.43Å; V392-L453 HydrophobicContact CG1-CD1 3.83Å
393N91.6Very high89.3Confident16 Ų1655.4 Ų55.49%0.08630%0.297CS..Hα-helixtrans-65.6-38.7176.1-80.8-72.7000111.9E389 H390 D391 F396 Q397 H415 L416E389-N393 PolarHBondContact O-N 3.35Å; E389-N393 PolarHBondContact O-ND2 3.34Å; H390-N393 PolarHBondContact O-N 3.41Å; D391-N393 PolarHBondContact O-N 3.38Å; N393-F396 PolarHBondContact O-N 3.04Å; N393-Q397 WeakPolarHBondContact O-CG 3.4Å; N393-Q397 PolarHBondContact O-N 2.9Å; N393-H415 PolarHBondContact ND2-CE1 3.48Å; N393-H415 PolarHBondContact OD1-ND1 3.06Å; N393-L416 PolarHBondContact ND2-O 2.86Å; N393-L416 PolarHBondContact OD1-N 2.88Å
394V92.1Very high89.3Confident47 Ų4757.8 Ų57.829%0.28530%0.304SS..Hα-helixtrans-63.6-44.6173.4174.40000110.9H390 D391 F396 Q397 Q398H390-V394 WeakPolarHBondContact O-CG2 3.35Å; H390-V394 PolarHBondContact O-N 3.11Å; D391-V394 PolarHBondContact O-N 3.03Å; V394-F396 VanDerWaalsContact C-N 3.28Å; V394-F396 PolarHBondContact O-N 3.22Å; V394-Q397 PolarHBondContact O-N 3.4Å; V394-Q398 HydrophobicContact CG1-CG 4.47Å; V394-Q398 WeakPolarHBondContact O-CG 3.31Å; V394-Q398 PolarHBondContact O-N 3.14Å
395A92.3Very high89.2Confident4 Ų458 Ų583%0.03330%0.304CS..Hα-helixtrans-61.7-36.7176.400000112.2T375 M379 D391 V392 S399T375-A395 HydrophobicContact CG2-CB 4.01Å; M379-A395 HydrophobicContact SD-CB 4.09Å; D391-A395 WeakPolarHBondContact O-CB 3.32Å; D391-A395 PolarHBondContact O-N 3.03Å; V392-A395 PolarHBondContact O-N 3.09Å; A395-S399 WeakPolarHBondContact O-CB 3.31Å; A395-S399 PolarHBondContact O-N 2.89Å; A395-S399 PolarHBondContact O-OG 3.05Å
396F92.4Very high88.1Confident6 Ų661.6 Ų61.63%0.02632%0.32CS..Hα-helixtrans-66.4-45.4175.2-175.2-106.7000112.2F360 L368 F369 F372 V392 N393 V394 S399 A400 L411 L416F360-F396 AromaticContact CD1-CZ 3.91Å; F360-F396 HydrophobicContact CD1-CZ 3.91Å; F360-F396 HydrophobicContact CE1-CE1 4.48Å; F360-F396 AromaticContact CE1-CZ 3.86Å; F360-F396 HydrophobicContact CE1-CZ 3.86Å; L368-F396 HydrophobicContact CD2-CE2 4.15Å; L368-F396 HydrophobicContact CD2-CZ 4.08Å; L368-F396 HydrophobicContact CG-CE2 4.35Å; F369-F396 HydrophobicContact CE1-CE2 4.13Å; F369-F396 HydrophobicContact CZ-CE2 4.47Å; F372-F396 HydrophobicContact CB-CD2 4.44Å; F372-F396 HydrophobicContact CD2-CB 3.95Å; F372-F396 AromaticContact CD2-CD2 3.89Å; F372-F396 HydrophobicContact CD2-CD2 3.89Å; F372-F396 HydrophobicContact CD2-CG 4.44Å; F372-F396 HydrophobicContact CE2-CB 3.97Å; F372-F396 HydrophobicContact CE2-CD2 4.3Å; F372-F396 HydrophobicContact CG-CD2 4.07Å; V392-F396 WeakPolarHBondContact O-CB 3.37Å; V392-F396 PolarHBondContact O-N 3.5Å; N393-F396 PolarHBondContact O-N 3.04Å; V394-F396 VanDerWaalsContact C-N 3.28Å; V394-F396 PolarHBondContact O-N 3.22Å; F396-S399 WeakPolarHBondContact O-CB 3.01Å; F396-S399 PolarHBondContact O-N 3.46Å; F396-A400 PolarHBondContact O-N 3.31Å; F396-L411 HydrophobicContact CE1-CD2 4.17Å; F396-L416 HydrophobicContact CB-CD1 3.62Å; F396-L416 HydrophobicContact CD1-CD1 4.45Å; F396-L416 HydrophobicContact CD2-CD1 3.86Å; F396-L416 HydrophobicContact CG-CD1 3.73Å; F396-L416 HydrophobicContact CG-CG 4.42Å
397Q90.5Very high87.6Confident92 Ų9261.7 Ų61.743%0.4331%0.312SS..Hα-helixtrans-60.8-45.1174.3-72.1176.6-10.900112N393 V394 S399 A400 H401N393-Q397 WeakPolarHBondContact O-CG 3.4Å; N393-Q397 PolarHBondContact O-N 2.9Å; V394-Q397 PolarHBondContact O-N 3.4Å; Q397-S399 VanDerWaalsContact C-N 3.27Å; Q397-S399 PolarHBondContact O-N 2.64Å; Q397-A400 WeakPolarHBondContact O-CB 3.34Å; Q397-A400 PolarHBondContact O-N 3.48Å; Q397-H401 PolarHBondContact O-CD2 2.76Å; Q397-H401 PolarHBondContact O-N 3.41Å
398Q90.4Very high86.6Confident115 Ų11563.4 Ų63.454%0.53732%0.318SS..Hα-helixtrans-59.8-39.5175.4-72.8176.80.700112.1V394 H401 K402V394-Q398 HydrophobicContact CG1-CG 4.47Å; V394-Q398 WeakPolarHBondContact O-CG 3.31Å; V394-Q398 PolarHBondContact O-N 3.14Å; Q398-H401 PolarHBondContact O-N 2.98Å; Q398-K402 WeakPolarHBondContact O-CB 3.48Å; Q398-K402 PolarHBondContact O-N 3.34Å
399S91.9Very high86Confident1 Ų169.1 Ų69.11%0.00735%0.349CS..Hα-helixtrans-67.5-39.3177.2-58.80000111.6A371 F372 A395 F396 Q397 K402 V403A371-S399 PolarHBondContact O-OG 3.48Å; F372-S399 VanDerWaalsContact CA-OG 3.23Å; F372-S399 WeakPolarHBondContact CA-OG 3.41Å; F372-S399 PolarHBondContact N-OG 3.03Å; A395-S399 WeakPolarHBondContact O-CB 3.31Å; A395-S399 PolarHBondContact O-N 2.89Å; A395-S399 PolarHBondContact O-OG 3.05Å; F396-S399 WeakPolarHBondContact O-CB 3.01Å; F396-S399 PolarHBondContact O-N 3.46Å; Q397-S399 VanDerWaalsContact C-N 3.27Å; Q397-S399 PolarHBondContact O-N 2.64Å; S399-K402 PolarHBondContact O-N 2.99Å; S399-V403 WeakPolarHBondContact O-CG2 3.29Å; S399-V403 PolarHBondContact O-N 2.81Å
400A89.9Confident85.6Confident0 Ų068.3 Ų68.30%035%0.345CS..Hα-helixtrans-61.4-44173.100000112.2L368 F396 Q397 K402 V403 L404 L405 L411L368-A400 VanDerWaalsContact CD1-CA 3.48Å; L368-A400 HydrophobicContact CD1-CB 3.94Å; F396-A400 PolarHBondContact O-N 3.31Å; Q397-A400 WeakPolarHBondContact O-CB 3.34Å; Q397-A400 PolarHBondContact O-N 3.48Å; A400-K402 VanDerWaalsContact C-N 3.34Å; A400-K402 PolarHBondContact O-N 3.43Å; A400-V403 PolarHBondContact O-N 2.87Å; A400-L404 PolarHBondContact O-N 2.98Å; A400-L405 HydrophobicContact CB-CB 4.25Å; A400-L405 HydrophobicContact CB-CD2 4.08Å; A400-L405 WeakPolarHBondContact O-CB 3.45Å; A400-L405 PolarHBondContact O-N 2.94Å; A400-L405 VanDerWaalsContact O-N 3.11Å; A400-L411 HydrophobicContact CB-CD1 3.93Å; A400-L411 HydrophobicContact CB-CD2 3.81Å; A400-L411 HydrophobicContact CB-CG 4.5Å
401H88.2Confident85.1Confident119 Ų11963 Ų6355%0.55132%0.321SS*.Hα-helixtrans-65.3-38.3177.2-71.7-150.9000111.9Q397 Q398 V403 L404Q397-H401 PolarHBondContact O-CD2 2.76Å; Q397-H401 PolarHBondContact O-N 3.41Å; Q398-H401 PolarHBondContact O-N 2.98Å; H401-V403 PolarHBondContact O-N 3.23Å; H401-L404 PolarHBondContact O-N 3.39Å; H401-L404 VanDerWaalsContact O-N 3.11Å
402K89.1Confident84.7Confident148 Ų14864.5 Ų64.564%0.64334%0.335SS*.Hα-helixtrans-62.8-30.7178.2-175178.4177.5-174.60112.8Q398 S399 A400 L404Q398-K402 WeakPolarHBondContact O-CB 3.48Å; Q398-K402 PolarHBondContact O-N 3.34Å; S399-K402 PolarHBondContact O-N 2.99Å; A400-K402 VanDerWaalsContact C-N 3.34Å; A400-K402 PolarHBondContact O-N 3.43Å; K402-L404 VanDerWaalsContact C-N 3.33Å
403V89.9Confident84.4Confident38 Ų3865.8 Ų65.823%0.2334%0.342CS..THydrogen-bonded Turntrans-93.86.5180-175.50000111.6E367 A371 S399 A400 H401 L405E367-V403 HydrophobicContact CB-CG1 4.13Å; E367-V403 HydrophobicContact CG-CG1 3.64Å; E367-V403 WeakPolarHBondContact OE1-CG1 3.23Å; A371-V403 HydrophobicContact CB-CG2 3.95Å; S399-V403 WeakPolarHBondContact O-CG2 3.29Å; S399-V403 PolarHBondContact O-N 2.81Å; A400-V403 PolarHBondContact O-N 2.87Å; H401-V403 PolarHBondContact O-N 3.23Å; V403-L405 VanDerWaalsContact C-N 3.34Å; V403-L405 PolarHBondContact O-N 2.92Å
404L85.1Confident84.2Confident136 Ų13665.6 Ų65.671%0.71234%0.34SS*.THydrogen-bonded Turntrans56.347.1179.9-53.8173.2000111.8A400 H401 K402 D406A400-L404 PolarHBondContact O-N 2.98Å; H401-L404 PolarHBondContact O-N 3.39Å; H401-L404 VanDerWaalsContact O-N 3.11Å; K402-L404 VanDerWaalsContact C-N 3.33Å; L404-D406 PolarHBondContact O-N 3.14Å
405L82.6Confident84.1Confident25 Ų2566.9 Ų66.913%0.13134%0.343CS..  trans-7199.1173.1-170.671.8000109.3F360 R365 A400 V403 D407 L411F360-L405 HydrophobicContact CZ-CD2 4.34Å; R365-L405 VanDerWaalsContact NH1-CD1 3.28Å; A400-L405 HydrophobicContact CB-CB 4.25Å; A400-L405 HydrophobicContact CB-CD2 4.08Å; A400-L405 WeakPolarHBondContact O-CB 3.45Å; A400-L405 PolarHBondContact O-N 2.94Å; A400-L405 VanDerWaalsContact O-N 3.11Å; V403-L405 VanDerWaalsContact C-N 3.34Å; V403-L405 PolarHBondContact O-N 2.92Å; L405-D407 PolarHBondContact O-N 3.48Å; L405-L411 HydrophobicContact CD2-CD2 4Å; L405-L411 HydrophobicContact CD2-CG 4.43Å
406D63.9Low84Confident154 Ų15466.7 Ų66.782%0.82434%0.342SS*.  trans-71.27.8-170.4-65.1-36.2000116.1L404L404-D406 PolarHBondContact O-N 3.14Å
407D70.8Confident83.9Confident65 Ų6568.3 Ų68.335%0.34835%0.352SS..  trans-115.582.3-174-157.4-20.4000112.3L405 N409 L410L405-D407 PolarHBondContact O-N 3.48Å; D407-N409 PolarHBondContact O-N 2.92Å; D407-N409 PolarHBondContact OD1-N 2.99Å; D407-L410 HydrophobicContact CB-CB 4.43Å; D407-L410 HydrophobicContact CB-CD1 3.69Å; D407-L410 HydrophobicContact CB-CG 3.85Å; D407-L410 VanDerWaalsContact CG-CG 3.42Å; D407-L410 PolarHBondContact O-N 3.28Å; D407-L410 VanDerWaalsContact O-N 3.1Å; D407-L410 VanDerWaalsContact OD2-CD1 3.29Å; D407-L410 WeakPolarHBondContact OD2-CD1 3.17Å; D407-L410 WeakPolarHBondContact OD2-CG 3.43Å
408D66.3Low83.6Confident121 Ų12163.9 Ų63.965%0.64733%0.332SS*.THydrogen-bonded Turntrans-57.6-19.1178.7-70.7-29.6000113.1P412D408-P412 VanDerWaalsContact O-CD 3.27Å; D408-P412 WeakPolarHBondContact O-CD 3.25Å
409N76.6Confident83Confident131 Ų13163.6 Ų63.670%0.70133%0.33SS*.THydrogen-bonded Turntrans-85.3-16.8-179.4-61.8-48.5000113.5D407D407-N409 PolarHBondContact O-N 2.92Å; D407-N409 PolarHBondContact OD1-N 2.99Å
410L80.9Confident82.1Confident21 Ų2166.5 Ų66.511%0.1134%0.341CS..THydrogen-bonded Turntrans-83.5-39.4-178.5-66.4-179.5000113.1I356 D407 P412 L413I356-L410 HydrophobicContact CD1-CD2 3.43Å; I356-L410 VanDerWaalsContact CD1-CD2 3.43Å; I356-L410 HydrophobicContact CG1-CD1 4.41Å; I356-L410 HydrophobicContact CG1-CD2 4.12Å; D407-L410 HydrophobicContact CB-CB 4.43Å; D407-L410 HydrophobicContact CB-CD1 3.69Å; D407-L410 HydrophobicContact CB-CG 3.85Å; D407-L410 VanDerWaalsContact CG-CG 3.42Å; D407-L410 PolarHBondContact O-N 3.28Å; D407-L410 VanDerWaalsContact O-N 3.1Å; D407-L410 VanDerWaalsContact OD2-CD1 3.29Å; D407-L410 WeakPolarHBondContact OD2-CD1 3.17Å; D407-L410 WeakPolarHBondContact OD2-CG 3.43Å; L410-P412 VanDerWaalsContact C-CD 3.49Å; L410-L413 WeakPolarHBondContact O-CB 2.75Å; L410-L413 PolarHBondContact O-N 2.75Å
411L79.7Confident80.2Confident13 Ų1373.3 Ų73.37%0.06837%0.373CS..G310 helixtrans-58.8-38.9-175.8-67.6176.4000113.5F396 A400 L405 L413 L414F396-L411 HydrophobicContact CE1-CD2 4.17Å; A400-L411 HydrophobicContact CB-CD1 3.93Å; A400-L411 HydrophobicContact CB-CD2 3.81Å; A400-L411 HydrophobicContact CB-CG 4.5Å; L405-L411 HydrophobicContact CD2-CD2 4Å; L405-L411 HydrophobicContact CD2-CG 4.43Å; L411-L413 PolarHBondContact O-N 3.12Å; L411-L414 PolarHBondContact O-N 2.85Å
412P83.5Confident78.2Confident102 Ų10269.5 Ų69.566%0.66237%0.366SS*.G310 helixtrans-66.8-17.7176.1-22.434.8000114.8D408 L410 L414D408-P412 VanDerWaalsContact O-CD 3.27Å; D408-P412 WeakPolarHBondContact O-CD 3.25Å; L410-P412 VanDerWaalsContact C-CD 3.49Å; P412-L414 VanDerWaalsContact C-N 3.33Å
413L85.1Confident76.3Confident28 Ų2867.4 Ų67.415%0.14736%0.357CS..G310 helixtrans-83.4-13.4177.4-59.9174.5000112.5L410 L411 Y457 K458L410-L413 WeakPolarHBondContact O-CB 2.75Å; L410-L413 PolarHBondContact O-N 2.75Å; L411-L413 PolarHBondContact O-N 3.12Å; L413-Y457 HydrophobicContact CB-CD2 4.38Å; L413-Y457 HydrophobicContact CB-CE2 4.1Å; L413-Y457 WeakPolarHBondContact O-CA 3.25Å; L413-K458 PolarHBondContact O-N 2.96Å
414L87.8Confident73.9Confident11 Ų1172.7 Ų72.76%0.05838%0.379CS..EExtended strand (participates in β ladder)trans-115.6126.7-174.7-66.2159.9000109.3F360 L411 P412 L455 Y457F360-L414 HydrophobicContact CB-CD2 4.26Å; F360-L414 HydrophobicContact CD1-CD1 3.66Å; F360-L414 HydrophobicContact CD2-CD1 3.52Å; F360-L414 HydrophobicContact CD2-CD2 4.3Å; F360-L414 HydrophobicContact CE1-CD1 3.5Å; F360-L414 VanDerWaalsContact CE1-CD1 3.5Å; F360-L414 HydrophobicContact CE2-CD1 3.41Å; F360-L414 VanDerWaalsContact CE2-CD1 3.41Å; F360-L414 HydrophobicContact CG-CD1 3.67Å; F360-L414 HydrophobicContact CG-CD2 4.16Å; F360-L414 HydrophobicContact CZ-CD1 3.38Å; L411-L414 PolarHBondContact O-N 2.85Å; P412-L414 VanDerWaalsContact C-N 3.33Å; L414-L455 HydrophobicContact CB-CD1 4.47Å; L414-L455 HydrophobicContact CD2-CD1 4.19Å; L414-L455 HydrophobicContact CD2-CD2 4.47Å; L414-Y457 HydrophobicContact CD2-CD2 3.69Å; L414-Y457 HydrophobicContact CD2-CG 4.38Å; L414-Y457 HydrophobicContact CG-CD2 4.3Å
415H89Confident71.8Confident74 Ų7474 Ų7434%0.34338%0.381SS..EExtended strand (participates in β ladder)trans-134.2123.5179.9-177.377000109.7E389 N393 S456E389-H415 IonicContact OE1-CD2 3.38Å; E389-H415 IonicContact OE1-CE1 2.99Å; E389-H415 IonicContact OE1-NE2 2.64Å; E389-H415 PolarHBondContact OE1-NE2 2.81Å; N393-H415 PolarHBondContact ND2-CE1 3.48Å; N393-H415 PolarHBondContact OD1-ND1 3.06Å; H415-S456 PolarHBondContact N-O 3.32Å; H415-S456 WeakPolarHBondContact O-CA 3.35Å; H415-S456 WeakPolarHBondContact O-CB 3.27Å; H415-S456 PolarHBondContact O-N 2.71Å
416L90.6Very high69.6Low1 Ų182 Ų821%0.00542%0.415CS..EExtended strand (participates in β ladder)trans-76.5126173.1-67.7174.4000109.3F372 E389 V392 N393 F396 L453 G454 L455 F479F372-L416 HydrophobicContact CE1-CD1 4.41Å; F372-L416 HydrophobicContact CE2-CD1 3.78Å; F372-L416 HydrophobicContact CZ-CD1 3.63Å; E389-L416 WeakPolarHBondContact CG-O 3.21Å; V392-L416 HydrophobicContact CG1-CB 3.95Å; V392-L416 HydrophobicContact CG1-CD1 3.51Å; V392-L416 HydrophobicContact CG1-CG 4.39Å; N393-L416 PolarHBondContact ND2-O 2.86Å; N393-L416 PolarHBondContact OD1-N 2.88Å; F396-L416 HydrophobicContact CB-CD1 3.62Å; F396-L416 HydrophobicContact CD1-CD1 4.45Å; F396-L416 HydrophobicContact CD2-CD1 3.86Å; F396-L416 HydrophobicContact CG-CD1 3.73Å; F396-L416 HydrophobicContact CG-CG 4.42Å; L416-L453 HydrophobicContact CB-CD1 4.03Å; L416-L453 HydrophobicContact CD1-CD1 4.39Å; L416-L453 HydrophobicContact CD2-CD1 4.23Å; L416-L453 HydrophobicContact CG-CD1 4.45Å; L416-G454 CarbonylContact C-O 3.49Å; L416-G454 WeakPolarHBondContact CA-O 3.46Å; L416-L455 HydrophobicContact CD2-CB 4.34Å; L416-L455 HydrophobicContact CD2-CD1 3.79Å; L416-F479 HydrophobicContact CD2-CZ 4.48Å
417T89.3Confident68.3Low39 Ų3978.8 Ų78.824%0.23941%0.41CS..EExtended strand (participates in β ladder)trans-100.3144.9-18052.50000110.2G454T417-G454 PolarHBondContact N-O 3.01Å; T417-G454 PolarHBondContact O-N 3.26Å; T417-G454 WeakPolarHBondContact OG1-CA 3.36Å; T417-G454 PolarHBondContact OG1-O 3.49Å
418I85.7Confident66.6Low0 Ų082.8 Ų82.80%043%0.431CS..EExtended strand (participates in β ladder)trans-122.8128.2172.2-59.5-71.7000108.9L380 P384 T388 E389 V392 Y420 K423 A452 L453L380-I418 HydrophobicContact CD2-CD1 4.07Å; P384-I418 HydrophobicContact CB-CG2 3.44Å; P384-I418 VanDerWaalsContact CB-CG2 3.44Å; P384-I418 HydrophobicContact CG-CG2 4.26Å; T388-I418 HydrophobicContact CG2-CG1 4.44Å; E389-I418 HydrophobicContact CB-CB 4.09Å; E389-I418 HydrophobicContact CB-CG1 4.05Å; E389-I418 HydrophobicContact CG-CB 4.37Å; E389-I418 HydrophobicContact CG-CG1 4.28Å; E389-I418 PolarHBondContact OE2-N 3.46Å; V392-I418 HydrophobicContact CG2-CD1 4.43Å; I418-Y420 HydrophobicContact CG2-CD1 4.47Å; I418-K423 PolarHBondContact O-NZ 3.23Å; I418-A452 WeakPolarHBondContact CA-O 3.46Å; I418-A452 HydrophobicContact CG2-CB 4.09Å; I418-L453 HydrophobicContact CD1-CB 4.21Å; I418-L453 HydrophobicContact CD1-CD1 3.61Å
419E77.2Confident65.1Low109 Ų10980.9 Ų80.951%0.50943%0.433SS..  trans-83.9117.7168-71.5174.9-150.400109.9A452 K480E419-A452 HydrophobicContact CB-CB 4.4Å; E419-A452 PolarHBondContact N-O 3.44Å; E419-A452 VanDerWaalsContact O-CB 3.27Å; E419-A452 WeakPolarHBondContact O-CB 3.36Å; E419-K480 IonicContact OE1-NZ 3.6Å
420Y72.3Confident63.2Low62 Ų6281.2 Ų81.224%0.24344%0.439CS..  trans-140.7154.9176.968.8-89.2000110.9A386 I418 G422A386-Y420 HydrophobicContact CB-CE2 3.74Å; I418-Y420 HydrophobicContact CG2-CD1 4.47Å; Y420-G422 PolarHBondContact O-N 3.05Å
421H50.4Low61Low142 Ų14289 Ų8966%0.65748%0.475SS*.THydrogen-bonded Turntrans-63.6121.3179.8-130-76.1000110.4
422G47Very low58.9Low40 Ų4093.3 Ų93.341%0.41251%0.513SS..THydrogen-bonded Turntrans125.7-10.9179.700000115.9Y420 E424 H425Y420-G422 PolarHBondContact O-N 3.05Å; G422-E424 VanDerWaalsContact C-N 3.27Å; G422-E424 PolarHBondContact O-N 2.97Å; G422-H425 PolarHBondContact O-N 3.45Å
423K48.4Very low56.4Low103 Ų103100.2 Ų100.245%0.44853%0.526SS..G310 helixtrans-65.5-27.3174.4-115.1174.3-175.2161.90112.9E389 I418 H425E389-K423 IonicContact OE2-NZ 3.48Å; E389-K423 PolarHBondContact OE2-NZ 3.45Å; I418-K423 PolarHBondContact O-NZ 3.23Å; K423-H425 VanDerWaalsContact C-N 3.34Å; K423-H425 PolarHBondContact O-N 2.75Å
424E40.2Very low54.1Low149 Ų149108.8 Ų108.870%0.69657%0.565SS**G310 helixtrans-76.3-10.9-179.3-68.4-177.9176.300114.5G422 R443G422-E424 VanDerWaalsContact C-N 3.27Å; G422-E424 PolarHBondContact O-N 2.97Å; E424-R443 IonicContact OE1-NH1 3.2Å; E424-R443 PolarHBondContact OE1-NH1 3.48Å; E424-R443 VanDerWaalsContact OE1-NH1 3.09Å
425H40.2Very low51.2Low164 Ų164111.1 Ų111.176%0.75959%0.591SS**G310 helixtrans-99.3-4.9-178.5-82.5-51.9000116G422 K423G422-H425 PolarHBondContact O-N 3.45Å; K423-H425 VanDerWaalsContact C-N 3.34Å; K423-H425 PolarHBondContact O-N 2.75Å
426K36.9Very low48.4Very low192 Ų192114 Ų11484%0.83562%0.617SS**SBendtrans-101.8-10.6-178.1-85.6-171.5175.9-179.80115.7
427A36.5Very low45.4Very low88 Ų88119.4 Ų119.473%0.72765%0.654SS**SBendtrans-81.5-20177.500000113.7
428D34.1Very low42.7Very low148 Ų148128 Ų12879%0.79168%0.682SS**SBendtrans-121.513-175.2-97.6-24.1000115.4T430D428-T430 PolarHBondContact O-N 3.37Å; D428-T430 VanDerWaalsContact O-N 3.09Å
429A35.1Very low40Very low82 Ų82137 Ų13768%0.67873%0.725SS**THydrogen-bonded Turntrans-81.120.3-177.800000115.2
430T37.3Very low37.7Very low137 Ų137138 Ų13884%0.8474%0.738SS**THydrogen-bonded Turntrans-114.47175.811.90000115.6D428D428-T430 PolarHBondContact O-N 3.37Å; D428-T430 VanDerWaalsContact O-N 3.09Å
431Q34.6Very low35.7Very low185 Ų185140.4 Ų140.486%0.86476%0.764SS**  trans-132.897.8164.8-68.5-170.118.400111.3R433Q431-R433 PolarHBondContact O-N 3.04Å
432A34.7Very low34.9Very low103 Ų103139 Ų13985%0.85177%0.768SS**  trans-63117.2165.900000109.8
433R32Very low34.6Very low248 Ų248146.1 Ų146.194%0.93678%0.782SS**  trans-151.6124.5150.5-111.7175.5-176.8-179.40.6110.5Q431Q431-R433 PolarHBondContact O-N 3.04Å
434E36.1Very low34.4Very low208 Ų208150.1 Ų150.197%0.97280%0.803SS**  trans-60.4125.5179.7-63.2169.8150.300111.1
435G26.9Very low34.9Very low59 Ų59146.1 Ų146.161%0.60880%0.795SS**  trans-160.1145.3171.100000109.5
436P31.3Very low35.9Very low135 Ų135140.3 Ų140.388%0.87777%0.772SS**  trans-71.8135-165.429.3-32.6000111.6R438P436-R438 PolarHBondContact O-N 3.17Å
437S28.1Very low37.3Very low114 Ų114135.6 Ų135.680%0.79777%0.769SS**  trans-61109.9-174.5-42.10000112E439S437-E439 PolarHBondContact O-N 3.25Å
438R30.8Very low39.3Very low219 Ų219132.8 Ų132.883%0.82674%0.744SS**  trans-74.9105.7160.3-103.7178.2160.4169-5.2107.2P436 T440P436-R438 PolarHBondContact O-N 3.17Å; R438-T440 PolarHBondContact O-N 3.36Å
439E29.5Very low41.6Very low190 Ų190125.8 Ų125.889%0.88871%0.706SS**  trans-65.592.5172.5-66.2-178.4166.600109.5S437S437-E439 PolarHBondContact O-N 3.25Å
440T29.6Very low44.1Very low130 Ų130122.8 Ų122.880%0.79868%0.677SS**PPolyproline II helixtrans-73.4131.2162.845.10000108.5R438R438-T440 PolarHBondContact O-N 3.36Å
441S30.4Very low46.2Very low113 Ų113119.4 Ų119.479%0.7966%0.664SS**PPolyproline II helixtrans-56.4147.4-175.3-69.60000112.8R443S441-R443 PolarHBondContact O-N 3.28Å
442P33.7Very low48.6Very low113 Ų113110.7 Ų110.773%0.73462%0.623SS**PPolyproline II helixtrans-68.5117.6-173.925.9-31.7000111.1E444P442-E444 PolarHBondContact O-N 3.42Å
443R41Very low51.2Low188 Ų188105.8 Ų105.871%0.70958%0.583SS**PPolyproline II helixtrans-55.9117.4165.8-135.8172.7175175.5-4.2107.6E424 S441 A445E424-R443 IonicContact OE1-NH1 3.2Å; E424-R443 PolarHBondContact OE1-NH1 3.48Å; E424-R443 VanDerWaalsContact OE1-NH1 3.09Å; S441-R443 PolarHBondContact O-N 3.28Å; R443-A445 PolarHBondContact O-N 3.3Å; R443-A445 VanDerWaalsContact O-N 3.13Å
444E43.7Very low54Low188 Ų18894.1 Ų94.188%0.87954%0.54SS*.PPolyproline II helixtrans-56.9120.3-179.8-73-176.2168.100109.7P442P442-E444 PolarHBondContact O-N 3.42Å
445A51.3Low56.7Low65 Ų6584.3 Ų84.354%0.53749%0.494SS..PPolyproline II helixtrans-61.1140.5-179.100000110.4R443 A447R443-A445 PolarHBondContact O-N 3.3Å; R443-A445 VanDerWaalsContact O-N 3.13Å; A445-A447 PolarHBondContact O-N 3.17Å; A445-A447 VanDerWaalsContact O-N 3.1Å
446P59.9Low59.8Low41 Ų4184 Ų8427%0.26648%0.483SS..PPolyproline II helixtrans-58.3122175.122.2-30.8000109.4P384 S448 A451 A452P384-P446 HydrophobicContact CG-CG 4.21Å; P446-S448 PolarHBondContact O-N 3.45Å; P446-A451 HydrophobicContact CB-CB 4.37Å; P446-A452 HydrophobicContact CB-CB 4.06Å; P446-A452 HydrophobicContact CG-CB 3.79Å
447A66.1Low62.7Low94 Ų9478 Ų7878%0.77744%0.442SS*.SBendtrans-62.5-16.3-17300000114A445A445-A447 PolarHBondContact O-N 3.17Å; A445-A447 VanDerWaalsContact O-N 3.1Å
448S79.6Confident65.5Low29 Ų2979.7 Ų79.720%0.20344%0.435CS..SBendtrans-148.3145.4179.31690000110.4L380 P446 W450 A451 A452L380-S448 PolarHBondContact O-OG 2.97Å; P446-S448 PolarHBondContact O-N 3.45Å; S448-W450 PolarHBondContact O-N 3.49Å; S448-W450 VanDerWaalsContact O-N 3.11Å; S448-W450 PolarHBondContact OG-N 3.43Å; S448-A451 PolarHBondContact O-N 3.31Å; S448-A452 PolarHBondContact O-N 2.68Å
449G82.7Confident68.2Low0 Ų070.7 Ų70.70%040%0.404CS..THydrogen-bonded Turntrans-56.9-22.8173.400000114.1L380 T382 A452 L453L380-G449 WeakPolarHBondContact O-CA 3.29Å; L380-G449 PolarHBondContact O-N 2.73Å; T382-G449 PolarHBondContact O-N 3Å; T382-G449 VanDerWaalsContact O-N 3.12Å; G449-A452 PolarHBondContact O-N 3.03Å; G449-L453 PolarHBondContact O-N 3.44Å
450W86.2Confident70.7Confident19 Ų1967.3 Ų67.37%0.07239%0.389CS..THydrogen-bonded Turntrans-66.2-37.3173.2-73.6116.4000113.9F372 I373 A376 Q377 L380 S448 A452 L453 L483F372-W450 HydrophobicContact CE1-CH2 4.45Å; F372-W450 HydrophobicContact CE1-CZ3 4.17Å; I373-W450 HydrophobicContact CG1-CH2 4.33Å; A376-W450 HydrophobicContact CB-CH2 4.16Å; Q377-W450 VanDerWaalsContact OE1-CZ2 3.27Å; Q377-W450 VanDerWaalsContact OE1-NE1 3.15Å; L380-W450 HydrophobicContact CB-CD2 3.64Å; L380-W450 VanDerWaalsContact CB-CE2 3.46Å; L380-W450 HydrophobicContact CB-CE3 4.24Å; L380-W450 HydrophobicContact CB-CG 3.91Å; L380-W450 HydrophobicContact CB-CH2 4.47Å; L380-W450 HydrophobicContact CB-CZ2 3.95Å; L380-W450 HydrophobicContact CD1-CD2 3.9Å; L380-W450 HydrophobicContact CD1-CE3 3.59Å; L380-W450 HydrophobicContact CD1-CH2 3.61Å; L380-W450 HydrophobicContact CD1-CZ2 3.94Å; L380-W450 HydrophobicContact CD1-CZ3 3.43Å; L380-W450 VanDerWaalsContact CD1-CZ3 3.43Å; L380-W450 HydrophobicContact CG-CD2 4.42Å; L380-W450 PolarHBondContact O-N 3.39Å; S448-W450 PolarHBondContact O-N 3.49Å; S448-W450 VanDerWaalsContact O-N 3.11Å; S448-W450 PolarHBondContact OG-N 3.43Å; W450-A452 VanDerWaalsContact C-N 3.29Å; W450-L453 HydrophobicContact CE3-CD2 4.25Å; W450-L453 HydrophobicContact CZ3-CD2 4.16Å; W450-L483 HydrophobicContact CE3-CD2 4.41Å; W450-L483 HydrophobicContact CZ3-CD2 4.23Å
451A81.8Confident73Confident67 Ų6764.2 Ų64.255%0.55436%0.362SS*.THydrogen-bonded Turntrans-73.7-26.7177.500000111.7P446 S448P446-A451 HydrophobicContact CB-CB 4.37Å; S448-A451 PolarHBondContact O-N 3.31Å
452A84.9Confident75.3Confident1 Ų158.9 Ų58.91%0.00833%0.325CS..THydrogen-bonded Turntrans-85-6.2-179.700000114.5P384 I418 E419 P446 S448 G449 W450P384-A452 HydrophobicContact CG-CB 3.99Å; I418-A452 WeakPolarHBondContact CA-O 3.46Å; I418-A452 HydrophobicContact CG2-CB 4.09Å; E419-A452 HydrophobicContact CB-CB 4.4Å; E419-A452 PolarHBondContact N-O 3.44Å; E419-A452 VanDerWaalsContact O-CB 3.27Å; E419-A452 WeakPolarHBondContact O-CB 3.36Å; P446-A452 HydrophobicContact CB-CB 4.06Å; P446-A452 HydrophobicContact CG-CB 3.79Å; S448-A452 PolarHBondContact O-N 2.68Å; G449-A452 PolarHBondContact O-N 3.03Å; W450-A452 VanDerWaalsContact C-N 3.29Å
453L89.8Confident77.8Confident1 Ų153.8 Ų53.81%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-79.3124.7-174.5-176.270.7000111.6F372 L380 V392 L416 I418 G449 W450 K480 L483F372-L453 HydrophobicContact CE1-CD2 4.05Å; F372-L453 HydrophobicContact CZ-CD2 4.23Å; L380-L453 HydrophobicContact CD1-CD2 4.31Å; V392-L453 HydrophobicContact CG1-CD1 3.83Å; L416-L453 HydrophobicContact CB-CD1 4.03Å; L416-L453 HydrophobicContact CD1-CD1 4.39Å; L416-L453 HydrophobicContact CD2-CD1 4.23Å; L416-L453 HydrophobicContact CG-CD1 4.45Å; I418-L453 HydrophobicContact CD1-CB 4.21Å; I418-L453 HydrophobicContact CD1-CD1 3.61Å; G449-L453 PolarHBondContact O-N 3.44Å; W450-L453 HydrophobicContact CE3-CD2 4.25Å; W450-L453 HydrophobicContact CZ3-CD2 4.16Å; L453-K480 WeakPolarHBondContact O-CE 3.46Å; L453-K480 WeakPolarHBondContact O-CG 3.44Å; L453-L483 HydrophobicContact CD2-CD2 3.59Å
454G91.2Very high79.7Confident3 Ų348.2 Ų48.23%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-122.7170.9168.100000111.6L416 T417L416-G454 CarbonylContact C-O 3.49Å; L416-G454 WeakPolarHBondContact CA-O 3.46Å; T417-G454 PolarHBondContact N-O 3.01Å; T417-G454 PolarHBondContact O-N 3.26Å; T417-G454 WeakPolarHBondContact OG1-CA 3.36Å; T417-G454 PolarHBondContact OG1-O 3.49Å
455L92.3Very high81.6Confident1 Ų140.6 Ų40.61%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-119.4131.2172.1178.765.1000108.3F360 Y361 L414 L416 N476 F479F360-L455 HydrophobicContact CB-CD2 3.81Å; Y361-L455 HydrophobicContact CD1-CB 4.35Å; Y361-L455 HydrophobicContact CD1-CD2 3.93Å; Y361-L455 HydrophobicContact CD1-CG 4.48Å; Y361-L455 HydrophobicContact CD2-CD2 3.84Å; Y361-L455 HydrophobicContact CE1-CB 3.9Å; Y361-L455 HydrophobicContact CE1-CD2 3.98Å; Y361-L455 HydrophobicContact CE1-CG 4.06Å; Y361-L455 HydrophobicContact CE2-CD2 3.88Å; Y361-L455 HydrophobicContact CE2-CG 4.26Å; Y361-L455 HydrophobicContact CG-CD2 3.88Å; Y361-L455 PolarHBondContact OH-O 3.28Å; L414-L455 HydrophobicContact CB-CD1 4.47Å; L414-L455 HydrophobicContact CD2-CD1 4.19Å; L414-L455 HydrophobicContact CD2-CD2 4.47Å; L416-L455 HydrophobicContact CD2-CB 4.34Å; L416-L455 HydrophobicContact CD2-CD1 3.79Å; L455-N476 PolarHBondContact N-OD1 2.99Å; L455-N476 VanDerWaalsContact O-CG 3.3Å; L455-N476 PolarHBondContact O-ND2 3.36Å; L455-N476 PolarHBondContact O-OD1 3.1Å; L455-F479 HydrophobicContact CB-CD1 4.16Å; L455-F479 HydrophobicContact CB-CE1 4.04Å; L455-F479 HydrophobicContact CB-CZ 4.32Å
456S91.9Very high83.3Confident54 Ų5437.7 Ų37.738%0.37821%0.214SC..EExtended strand (participates in β ladder)trans-114.2130.4173.1-176.60000108.8H415H415-S456 PolarHBondContact N-O 3.32Å; H415-S456 WeakPolarHBondContact O-CA 3.35Å; H415-S456 WeakPolarHBondContact O-CB 3.27Å; H415-S456 PolarHBondContact O-N 2.71Å
457Y91.8Very high84.6Confident8 Ų835.9 Ų35.93%0.03120%0.202CC..EExtended strand (participates in β ladder)trans-116.2121.2177.4171.3-106.4000109.3Q353 I356 I357 Y361 L413 L414 V459Q353-Y457 PolarHBondContact OE1-OH 3.28Å; I356-Y457 HydrophobicContact CG2-CE2 4.11Å; I357-Y457 HydrophobicContact CD1-CD1 3.65Å; I357-Y457 HydrophobicContact CD1-CE1 4.1Å; I357-Y457 HydrophobicContact CD1-CG 3.99Å; Y361-Y457 PolarHBondContact OH-N 3.07Å; L413-Y457 HydrophobicContact CB-CD2 4.38Å; L413-Y457 HydrophobicContact CB-CE2 4.1Å; L413-Y457 WeakPolarHBondContact O-CA 3.25Å; L414-Y457 HydrophobicContact CD2-CD2 3.69Å; L414-Y457 HydrophobicContact CD2-CG 4.38Å; L414-Y457 HydrophobicContact CG-CD2 4.3Å; Y457-V459 HydrophobicContact CD1-CB 4.46Å; Y457-V459 HydrophobicContact CD1-CG2 3.56Å; Y457-V459 HydrophobicContact CE1-CB 4.19Å; Y457-V459 HydrophobicContact CE1-CG1 4.48Å; Y457-V459 HydrophobicContact CE1-CG2 3.68Å; Y457-V459 PolarHBondContact O-N 2.89Å; Y457-V459 VanDerWaalsContact O-N 3.08Å
458K88.1Confident85.6Confident150 Ų15032.5 Ų32.565%0.65217%0.172SC*.  trans-80.190.9-179.9-172.2179.6179.6-179.40109.9L413 Q460L413-K458 PolarHBondContact O-N 2.96Å; K458-Q460 PolarHBondContact O-N 3.4Å
459V86.1Confident85.8Confident29 Ų2936.3 Ų36.318%0.17620%0.196CC..PPolyproline II helixtrans-67129.2178.3-169.50000110.4Y457 L463 H464 F467 L472Y457-V459 HydrophobicContact CD1-CB 4.46Å; Y457-V459 HydrophobicContact CD1-CG2 3.56Å; Y457-V459 HydrophobicContact CE1-CB 4.19Å; Y457-V459 HydrophobicContact CE1-CG1 4.48Å; Y457-V459 HydrophobicContact CE1-CG2 3.68Å; Y457-V459 PolarHBondContact O-N 2.89Å; Y457-V459 VanDerWaalsContact O-N 3.08Å; V459-L463 VanDerWaalsContact CG1-C 3.48Å; V459-L463 HydrophobicContact CG1-CB 3.7Å; V459-H464 HydrophobicContact CB-CB 4.37Å; V459-H464 HydrophobicContact CG1-CB 4.03Å; V459-H464 VanDerWaalsContact CG1-N 3.32Å; V459-F467 HydrophobicContact CG1-CB 4.09Å; V459-F467 HydrophobicContact CG1-CD2 4.1Å; V459-F467 HydrophobicContact CG2-CB 3.62Å; V459-F467 HydrophobicContact CG2-CG 4.44Å; V459-L472 HydrophobicContact CG2-CD1 3.9Å
460Q83.3Confident85.9Confident120 Ų12037.9 Ų37.956%0.56121%0.208SC*.PPolyproline II helixtrans-88.2151.7173.4-61.6-173.1-4.700110.9K458 L463K458-Q460 PolarHBondContact O-N 3.4Å; Q460-L463 PolarHBondContact O-N 3.33Å
461W77.4Confident86Confident64 Ų6437.4 Ų37.424%0.24221%0.208CC..THydrogen-bonded Turntrans-60.5140169.9-179.791.1000109.9M285 F286 Q289 L293 L343 H464M285-W461 VanDerWaalsContact CE-CD1 3.42Å; F286-W461 HydrophobicContact CD1-CZ2 4.2Å; F286-W461 HydrophobicContact CE1-CH2 4.34Å; F286-W461 HydrophobicContact CE1-CZ2 4.12Å; F286-W461 HydrophobicContact CE2-CZ2 4.48Å; F286-W461 HydrophobicContact CG-CZ2 4.48Å; F286-W461 HydrophobicContact CZ-CZ2 4.29Å; Q289-W461 HydrophobicContact CG-CD2 4.26Å; Q289-W461 HydrophobicContact CG-CG 4.06Å; L293-W461 HydrophobicContact CD1-CE3 4.32Å; L293-W461 HydrophobicContact CD1-CZ3 4.43Å; L343-W461 HydrophobicContact CD1-CH2 4.12Å; L343-W461 HydrophobicContact CD1-CZ3 4.29Å; L343-W461 HydrophobicContact CD2-CH2 3.49Å; L343-W461 VanDerWaalsContact CD2-CH2 3.49Å; L343-W461 HydrophobicContact CD2-CZ2 3.83Å; L343-W461 HydrophobicContact CD2-CZ3 4.1Å; L343-W461 HydrophobicContact CG-CH2 4.41Å; W461-H464 AromaticContact CD1-CE1 3.45Å; W461-H464 VanDerWaalsContact CD1-CE1 3.45Å
462P78.8Confident86.4Confident1 Ų135.2 Ų35.21%0.00619%0.187CC..THydrogen-bonded Turncis-93.46.44.838.7-40.4000114.8L343 M344 S348 H464 I465L343-P462 HydrophobicContact CD2-CB 3.71Å; L343-P462 HydrophobicContact CD2-CG 3.67Å; L343-P462 HydrophobicContact CG-CG 3.94Å; M344-P462 HydrophobicContact CG-CB 4.49Å; M344-P462 HydrophobicContact CG-CG 3.94Å; S348-P462 WeakPolarHBondContact OG-CD 3.46Å; S348-P462 VanDerWaalsContact OG-CG 3.3Å; S348-P462 WeakPolarHBondContact OG-CG 3.42Å; P462-H464 PolarHBondContact O-N 2.96Å; P462-H464 VanDerWaalsContact O-N 3.13Å; P462-I465 VanDerWaalsContact O-CG1 3.3Å; P462-I465 WeakPolarHBondContact O-CG1 3.42Å; P462-I465 PolarHBondContact O-N 2.74Å
463L85.4Confident86.7Confident6 Ų639.2 Ų39.23%0.03121%0.205CC..G310 helixtrans-72.7-12.4-165.2-58.7179.1000114.2M344 L350 Q353 V459 Q460 I465 L466 F467M344-L463 HydrophobicContact CB-CD2 4.23Å; M344-L463 HydrophobicContact CE-CD2 3.76Å; M344-L463 HydrophobicContact CG-CD2 4.29Å; L350-L463 HydrophobicContact CB-CD2 4.2Å; L350-L463 HydrophobicContact CD1-CD2 3.99Å; Q353-L463 HydrophobicContact CB-CD1 3.8Å; Q353-L463 HydrophobicContact CG-CD1 3.36Å; V459-L463 VanDerWaalsContact CG1-C 3.48Å; V459-L463 HydrophobicContact CG1-CB 3.7Å; Q460-L463 PolarHBondContact O-N 3.33Å; L463-I465 PolarHBondContact O-N 2.94Å; L463-L466 PolarHBondContact O-N 2.99Å; L463-F467 HydrophobicContact CB-CD2 3.95Å; L463-F467 HydrophobicContact CB-CE2 4.25Å; L463-F467 WeakPolarHBondContact O-CD2 3.29Å; L463-F467 PolarHBondContact O-N 3.09Å
464H82.3Confident86.7Confident72 Ų7241.5 Ų41.533%0.33322%0.215SC..G310 helixtrans-66.4-14.3176.865.6-106.3000113.6M285 V459 W461 P462 L466 F467M285-H464 WeakPolarHBondContact CE-CE1 2.88Å; M285-H464 WeakPolarHBondContact CE-NE2 3.28Å; V459-H464 HydrophobicContact CB-CB 4.37Å; V459-H464 HydrophobicContact CG1-CB 4.03Å; V459-H464 VanDerWaalsContact CG1-N 3.32Å; W461-H464 AromaticContact CD1-CE1 3.45Å; W461-H464 VanDerWaalsContact CD1-CE1 3.45Å; P462-H464 PolarHBondContact O-N 2.96Å; P462-H464 VanDerWaalsContact O-N 3.13Å; H464-L466 VanDerWaalsContact C-N 3.26Å; H464-F467 CarbonylContact O-C 3.4Å
465I82.5Confident86.8Confident28 Ų2841.4 Ų41.414%0.14421%0.214CC..G310 helixtrans-62.5-38.9169.6-53.9175.1000110.5M285 L340 P462 L463 F554M285-I465 HydrophobicContact CE-CD1 3.48Å; M285-I465 VanDerWaalsContact CE-CD1 3.48Å; M285-I465 HydrophobicContact CE-CG1 3.26Å; M285-I465 HydrophobicContact SD-CD1 3.39Å; M285-I465 WeakPolarHBondContact SD-CD1 3.48Å; M285-I465 HydrophobicContact SD-CG1 3.25Å; M285-I465 WeakPolarHBondContact SD-CG1 3.45Å; L340-I465 HydrophobicContact CD2-CD1 4.46Å; P462-I465 VanDerWaalsContact O-CG1 3.3Å; P462-I465 WeakPolarHBondContact O-CG1 3.42Å; P462-I465 PolarHBondContact O-N 2.74Å; L463-I465 PolarHBondContact O-N 2.94Å; I465-F554 HydrophobicContact CB-CZ 4.1Å; I465-F554 HydrophobicContact CG2-CE1 3.66Å; I465-F554 HydrophobicContact CG2-CZ 3.52Å
466L86.4Confident86.8Confident4 Ų442 Ų422%0.02122%0.217CC..THydrogen-bonded Turntrans-88.6-49.8178.4-174.468.7000110.8M344 L350 L463 H464 T468 I557 R558 H561M344-L466 HydrophobicContact CE-CB 3.87Å; M344-L466 HydrophobicContact CE-CD2 4.5Å; L350-L466 HydrophobicContact CD1-CD2 3.59Å; L350-L466 HydrophobicContact CD2-CD2 4.28Å; L463-L466 PolarHBondContact O-N 2.99Å; H464-L466 VanDerWaalsContact C-N 3.26Å; L466-T468 VanDerWaalsContact C-N 3.29Å; L466-T468 PolarHBondContact O-N 2.68Å; L466-T468 VanDerWaalsContact O-N 3.09Å; L466-I557 HydrophobicContact CD2-CG2 4.4Å; L466-R558 HydrophobicContact CD1-CB 4.24Å; L466-R558 HydrophobicContact CD1-CG 4.38Å; L466-H561 HydrophobicContact CD1-CB 3.88Å
467F88.6Confident86.8Confident3 Ų341 Ų411%0.01321%0.209CC..SBendtrans-88.867.9179.5-55.8-65.7000111.1L350 Q353 L354 I357 V459 L463 H464 V471 L472 H561L350-F467 HydrophobicContact CD1-CE2 4.01Å; L350-F467 HydrophobicContact CD1-CZ 4.19Å; Q353-F467 HydrophobicContact CB-CE2 4.47Å; L354-F467 HydrophobicContact CD2-CE1 3.93Å; L354-F467 HydrophobicContact CD2-CZ 3.64Å; L354-F467 HydrophobicContact CG-CZ 4.1Å; I357-F467 HydrophobicContact CG1-CD1 4.47Å; I357-F467 HydrophobicContact CG1-CE1 3.96Å; I357-F467 HydrophobicContact CG1-CZ 4.17Å; V459-F467 HydrophobicContact CG1-CB 4.09Å; V459-F467 HydrophobicContact CG1-CD2 4.1Å; V459-F467 HydrophobicContact CG2-CB 3.62Å; V459-F467 HydrophobicContact CG2-CG 4.44Å; L463-F467 HydrophobicContact CB-CD2 3.95Å; L463-F467 HydrophobicContact CB-CE2 4.25Å; L463-F467 WeakPolarHBondContact O-CD2 3.29Å; L463-F467 PolarHBondContact O-N 3.09Å; H464-F467 CarbonylContact O-C 3.4Å; F467-V471 HydrophobicContact CD1-CG1 4.45Å; F467-L472 HydrophobicContact CB-CD2 4.31Å; F467-H561 AromaticContact CE1-NE2 3.96Å
468T86.2Confident86.9Confident22 Ų2240.6 Ų40.614%0.13521%0.207CC..  trans-66.5158.8173.368.20000110.9L466 A470 V471 L472L466-T468 VanDerWaalsContact C-N 3.29Å; L466-T468 PolarHBondContact O-N 2.68Å; L466-T468 VanDerWaalsContact O-N 3.09Å; T468-A470 PolarHBondContact O-N 3.34Å; T468-V471 WeakPolarHBondContact O-CB 3.15Å; T468-V471 PolarHBondContact O-N 2.89Å; T468-V471 WeakPolarHBondContact OG1-CG2 3.46Å; T468-V471 PolarHBondContact OG1-N 3.05Å; T468-L472 PolarHBondContact O-N 2.91Å
469P85.2Confident87.2Confident110 Ų11033.5 Ų33.571%0.71418%0.176SC*.Hα-helixtrans-54.1-39.3174.9-27.835.9000113.3V471 L472 E473P469-V471 VanDerWaalsContact C-N 3.33Å; P469-V471 PolarHBondContact O-N 3.21Å; P469-L472 PolarHBondContact O-N 3.19Å; P469-E473 PolarHBondContact O-N 3.48Å
470A83.9Confident87.4Confident32 Ų3235 Ų3526%0.26418%0.18SC..Hα-helixtrans-64-37.2176.600000112.6T468 K474T468-A470 PolarHBondContact O-N 3.34Å; A470-K474 PolarHBondContact O-N 3.13Å
471V89.1Confident87.8Confident9 Ų929.7 Ų29.76%0.05516%0.155CC..Hα-helixtrans-66.9-44.3174.6162.10000111.1F467 T468 P469 E473 K474 Y475 H561 L565F467-V471 HydrophobicContact CD1-CG1 4.45Å; T468-V471 WeakPolarHBondContact O-CB 3.15Å; T468-V471 PolarHBondContact O-N 2.89Å; T468-V471 WeakPolarHBondContact OG1-CG2 3.46Å; T468-V471 PolarHBondContact OG1-N 3.05Å; P469-V471 VanDerWaalsContact C-N 3.33Å; P469-V471 PolarHBondContact O-N 3.21Å; V471-E473 VanDerWaalsContact C-N 3.29Å; V471-E473 PolarHBondContact O-N 2.86Å; V471-K474 WeakPolarHBondContact O-CB 3.47Å; V471-K474 PolarHBondContact O-N 3.33Å; V471-Y475 HydrophobicContact CG1-CD2 3.86Å; V471-Y475 HydrophobicContact CG1-CE2 3.65Å; V471-Y475 VanDerWaalsContact O-CD2 3.26Å; V471-Y475 WeakPolarHBondContact O-CD2 3.46Å; V471-Y475 PolarHBondContact O-N 3.07Å; V471-Y475 VanDerWaalsContact O-N 3.12Å; V471-H561 VanDerWaalsContact CG1-CE1 3.48Å; V471-H561 WeakPolarHBondContact CG1-CE1 3.48Å; V471-L565 HydrophobicContact CG1-CD2 4.09Å
472L90.4Very high88.6Confident22 Ų2227.3 Ų27.312%0.11515%0.147CC..Hα-helixtrans-65.3-32.2178.2-67177.5000112.4I357 Y361 V459 F467 T468 P469 Y475 N476I357-L472 HydrophobicContact CD1-CD2 4.27Å; Y361-L472 HydrophobicContact CE2-CD2 4.28Å; V459-L472 HydrophobicContact CG2-CD1 3.9Å; F467-L472 HydrophobicContact CB-CD2 4.31Å; T468-L472 PolarHBondContact O-N 2.91Å; P469-L472 PolarHBondContact O-N 3.19Å; L472-Y475 PolarHBondContact O-N 2.92Å; L472-N476 PolarHBondContact O-N 3.19Å; L472-N476 PolarHBondContact O-ND2 3.4Å
473E89.7Confident89.3Confident85 Ų8527.5 Ų27.540%0.39715%0.148SC..Hα-helixtrans-66.1-42.2174.6-168.454.2-139.100111.9P469 V471 Y475 N476 V477P469-E473 PolarHBondContact O-N 3.48Å; V471-E473 VanDerWaalsContact C-N 3.29Å; V471-E473 PolarHBondContact O-N 2.86Å; E473-Y475 VanDerWaalsContact C-N 3.29Å; E473-Y475 PolarHBondContact O-N 3.23Å; E473-N476 WeakPolarHBondContact O-CA 3.46Å; E473-N476 VanDerWaalsContact O-CB 3.28Å; E473-N476 WeakPolarHBondContact O-CB 3.48Å; E473-N476 PolarHBondContact O-N 2.94Å; E473-V477 PolarHBondContact O-N 3.34Å
474K90.1Very high89.7Confident48 Ų4828.6 Ų28.621%0.20916%0.156CC..Hα-helixtrans-59.2-40.5172.8-72.5173.9-177.3179.30112M249 A470 V471 N476 V477 V478 L565 L569M249-K474 WeakPolarHBondContact O-CE 3.41Å; A470-K474 PolarHBondContact O-N 3.13Å; V471-K474 WeakPolarHBondContact O-CB 3.47Å; V471-K474 PolarHBondContact O-N 3.33Å; K474-N476 VanDerWaalsContact C-N 3.35Å; K474-V477 PolarHBondContact O-N 3.13Å; K474-V478 PolarHBondContact O-N 3.49Å; K474-L565 HydrophobicContact CB-CD1 4.22Å; K474-L565 HydrophobicContact CB-CD2 3.65Å; K474-L565 HydrophobicContact CB-CG 4.05Å; K474-L565 HydrophobicContact CD-CD2 3.81Å; K474-L565 HydrophobicContact CD-CG 4.29Å; K474-L565 HydrophobicContact CG-CD2 4.4Å; K474-L569 HydrophobicContact CB-CD1 4.3Å; K474-L569 HydrophobicContact CD-CD1 4.42Å; K474-L569 HydrophobicContact CG-CD1 4.28Å
475Y94.2Very high90.2Very high2 Ų225.3 Ų25.31%0.00814%0.141CC..Hα-helixtrans-64.1-38.4172.4-80.8-67.8000112.5I357 Y361 L362 V471 L472 E473 V477 V478 F479 H561 F564 L565I357-Y475 HydrophobicContact CG2-CD1 3.96Å; I357-Y475 HydrophobicContact CG2-CD2 4.3Å; I357-Y475 HydrophobicContact CG2-CE1 3.7Å; I357-Y475 HydrophobicContact CG2-CE2 4.06Å; I357-Y475 HydrophobicContact CG2-CG 4.26Å; Y361-Y475 HydrophobicContact CG-CG 4.44Å; L362-Y475 HydrophobicContact CD2-CD1 4.13Å; L362-Y475 HydrophobicContact CD2-CE1 4.38Å; V471-Y475 HydrophobicContact CG1-CD2 3.86Å; V471-Y475 HydrophobicContact CG1-CE2 3.65Å; V471-Y475 VanDerWaalsContact O-CD2 3.26Å; V471-Y475 WeakPolarHBondContact O-CD2 3.46Å; V471-Y475 PolarHBondContact O-N 3.07Å; V471-Y475 VanDerWaalsContact O-N 3.12Å; L472-Y475 PolarHBondContact O-N 2.92Å; E473-Y475 VanDerWaalsContact C-N 3.29Å; E473-Y475 PolarHBondContact O-N 3.23Å; Y475-V477 VanDerWaalsContact C-N 3.33Å; Y475-V477 PolarHBondContact O-N 3.24Å; Y475-V478 PolarHBondContact O-N 2.8Å; Y475-F479 WeakPolarHBondContact O-CB 3.3Å; Y475-F479 PolarHBondContact O-N 2.67Å; Y475-H561 AromaticContact CE2-CE1 3.84Å; Y475-H561 AromaticContact CE2-NE2 3.54Å; Y475-H561 AromaticContact CZ-NE2 3.56Å; Y475-H561 PolarHBondContact OH-NE2 2.87Å; Y475-F564 HydrophobicContact CE1-CE1 4.12Å; Y475-F564 WeakPolarHBondContact OH-CE1 3.27Å; Y475-L565 HydrophobicContact CD1-CD1 4.01Å; Y475-L565 HydrophobicContact CD2-CD1 4.43Å; Y475-L565 HydrophobicContact CD2-CD2 4.33Å; Y475-L565 HydrophobicContact CE1-CD1 3.9Å; Y475-L565 HydrophobicContact CE2-CD1 4.34Å; Y475-L565 HydrophobicContact CE2-CD2 4.12Å; Y475-L565 HydrophobicContact CG-CD1 4.27Å
476N92.2Very high90.8Very high12 Ų1226.1 Ų26.16%0.06414%0.142CC..Hα-helixtrans-60.3-40.4175.1-95.3-63.9000112.9L455 L472 E473 K474 F479 K480L455-N476 PolarHBondContact N-OD1 2.99Å; L455-N476 VanDerWaalsContact O-CG 3.3Å; L455-N476 PolarHBondContact O-ND2 3.36Å; L455-N476 PolarHBondContact O-OD1 3.1Å; L472-N476 PolarHBondContact O-N 3.19Å; L472-N476 PolarHBondContact O-ND2 3.4Å; E473-N476 WeakPolarHBondContact O-CA 3.46Å; E473-N476 VanDerWaalsContact O-CB 3.28Å; E473-N476 WeakPolarHBondContact O-CB 3.48Å; E473-N476 PolarHBondContact O-N 2.94Å; K474-N476 VanDerWaalsContact C-N 3.35Å; N476-F479 WeakPolarHBondContact O-CB 3.15Å; N476-F479 PolarHBondContact O-N 3.1Å; N476-K480 WeakPolarHBondContact O-CB 3.4Å; N476-K480 VanDerWaalsContact O-CG 3.32Å; N476-K480 WeakPolarHBondContact O-CG 3.47Å; N476-K480 PolarHBondContact O-N 3.45Å
477V91.3Very high91.1Very high34 Ų3427.7 Ų27.721%0.20615%0.148CC..Hα-helixtrans-62.7-44.3176.4172.40000111.3M249 E473 K474 Y475 Y481 L569 I574M249-V477 HydrophobicContact CE-CB 3.85Å; M249-V477 HydrophobicContact CE-CG1 3.88Å; M249-V477 HydrophobicContact CE-CG2 3.52Å; M249-V477 HydrophobicContact SD-CG2 3.68Å; E473-V477 PolarHBondContact O-N 3.34Å; K474-V477 PolarHBondContact O-N 3.13Å; Y475-V477 VanDerWaalsContact C-N 3.33Å; Y475-V477 PolarHBondContact O-N 3.24Å; V477-Y481 PolarHBondContact O-N 3.32Å; V477-L569 HydrophobicContact CG1-CD2 4.47Å; V477-I574 HydrophobicContact CG1-CG2 4.02Å
478V92.9Very high91.3Very high0 Ų027.5 Ų27.50%015%0.147CC..Hα-helixtrans-63.3-44.8174.5179.60000110.8L362 K474 Y475 Y481 L482 L568 L569 I574L362-V478 HydrophobicContact CD2-CB 4.45Å; L362-V478 HydrophobicContact CD2-CG1 3.77Å; K474-V478 PolarHBondContact O-N 3.49Å; Y475-V478 PolarHBondContact O-N 2.8Å; V478-Y481 PolarHBondContact O-N 3.5Å; V478-L482 HydrophobicContact CG1-CD1 3.68Å; V478-L482 HydrophobicContact CG1-CG 4.07Å; V478-L482 VanDerWaalsContact O-CG 3.31Å; V478-L482 WeakPolarHBondContact O-CG 3.01Å; V478-L482 PolarHBondContact O-N 2.74Å; V478-L568 HydrophobicContact CG1-CD2 4.1Å; V478-L568 HydrophobicContact CG1-CG 4.25Å; V478-L568 HydrophobicContact CG2-CD2 4.26Å; V478-L568 HydrophobicContact CG2-CG 4.22Å; V478-L569 HydrophobicContact CG2-CD2 3.53Å; V478-L569 HydrophobicContact CG2-CG 4.16Å; V478-I574 HydrophobicContact CG2-CD1 4.13Å
479F94.4Very high91.6Very high1 Ų127 Ų270%0.00414%0.143CC..Hα-helixtrans-56.5-52.3178.2168.8-103.4000112.4F360 Y361 L363 F369 L416 L455 Y475 N476 Y481 L482 L483F360-F479 WeakPolarHBondContact O-CD2 3.35Å; Y361-F479 HydrophobicContact CD1-CB 4.02Å; Y361-F479 VanDerWaalsContact O-CA 3.28Å; Y361-F479 WeakPolarHBondContact O-CA 3.26Å; Y361-F479 VanDerWaalsContact O-CB 3.32Å; Y361-F479 WeakPolarHBondContact O-CB 3.11Å; L363-F479 HydrophobicContact CD1-CD2 3.65Å; L363-F479 HydrophobicContact CD1-CE2 4.1Å; F369-F479 HydrophobicContact CD1-CE2 4.48Å; F369-F479 AromaticContact CE1-CE2 3.65Å; F369-F479 HydrophobicContact CE1-CE2 3.65Å; F369-F479 HydrophobicContact CE1-CZ 4.14Å; F369-F479 AromaticContact CZ-CE2 3.93Å; F369-F479 HydrophobicContact CZ-CE2 3.93Å; L416-F479 HydrophobicContact CD2-CZ 4.48Å; L455-F479 HydrophobicContact CB-CD1 4.16Å; L455-F479 HydrophobicContact CB-CE1 4.04Å; L455-F479 HydrophobicContact CB-CZ 4.32Å; Y475-F479 WeakPolarHBondContact O-CB 3.3Å; Y475-F479 PolarHBondContact O-N 2.67Å; N476-F479 WeakPolarHBondContact O-CB 3.15Å; N476-F479 PolarHBondContact O-N 3.1Å; F479-Y481 VanDerWaalsContact C-N 3.27Å; F479-Y481 PolarHBondContact O-N 3.46Å; F479-L482 PolarHBondContact O-N 3.42Å; F479-L483 HydrophobicContact CE1-CD2 4.25Å; F479-L483 HydrophobicContact CZ-CD2 4.04Å; F479-L483 VanDerWaalsContact O-CB 3.27Å; F479-L483 WeakPolarHBondContact O-CB 3.31Å; F479-L483 PolarHBondContact O-N 2.7Å
480K91.4Very high92Very high59 Ų5922.1 Ų22.126%0.25711%0.112SC..Hα-helixtrans-56.4-43.2178.3-73.4173.4-178.7176.90111E419 L453 N476 S484E419-K480 IonicContact OE1-NZ 3.6Å; L453-K480 WeakPolarHBondContact O-CE 3.46Å; L453-K480 WeakPolarHBondContact O-CG 3.44Å; N476-K480 WeakPolarHBondContact O-CB 3.4Å; N476-K480 VanDerWaalsContact O-CG 3.32Å; N476-K480 WeakPolarHBondContact O-CG 3.47Å; N476-K480 PolarHBondContact O-N 3.45Å; K480-S484 WeakPolarHBondContact O-CB 3.47Å; K480-S484 PolarHBondContact O-N 3.15Å
481Y92.6Very high92.3Very high10 Ų1021.7 Ų21.74%0.03911%0.105CC..Hα-helixtrans-65.3-51178.3177.7-117.4000112.7V477 V478 F479 L483 S484 V485 L532 I574 F580 L583V477-Y481 PolarHBondContact O-N 3.32Å; V478-Y481 PolarHBondContact O-N 3.5Å; F479-Y481 VanDerWaalsContact C-N 3.27Å; F479-Y481 PolarHBondContact O-N 3.46Å; Y481-L483 VanDerWaalsContact C-N 3.31Å; Y481-L483 PolarHBondContact O-N 3.44Å; Y481-S484 WeakPolarHBondContact O-CB 3.38Å; Y481-S484 PolarHBondContact O-N 2.8Å; Y481-S484 VanDerWaalsContact O-N 3.17Å; Y481-V485 HydrophobicContact CE2-CG2 4.16Å; Y481-V485 PolarHBondContact O-N 2.86Å; Y481-V485 VanDerWaalsContact O-N 3.12Å; Y481-L532 HydrophobicContact CE1-CD1 3.76Å; Y481-L532 HydrophobicContact CE1-CD2 4.2Å; Y481-I574 HydrophobicContact CD1-CD1 3.98Å; Y481-I574 HydrophobicContact CD1-CG1 4.05Å; Y481-I574 HydrophobicContact CE1-CG1 4.46Å; Y481-I574 HydrophobicContact CG-CD1 4.28Å; Y481-I574 HydrophobicContact CG-CG1 4.31Å; Y481-F580 AromaticContact CD2-CE2 3.68Å; Y481-F580 HydrophobicContact CD2-CE2 3.68Å; Y481-F580 HydrophobicContact CE2-CD2 4.31Å; Y481-F580 AromaticContact CE2-CE2 3.88Å; Y481-F580 HydrophobicContact CE2-CE2 3.88Å; Y481-F580 HydrophobicContact CG-CE2 4.33Å; Y481-L583 WeakPolarHBondContact OH-CD1 3.3Å
482L94.1Very high92.5Very high13 Ų1321.3 Ų21.37%0.06810%0.103CC..Hα-helixtrans-61.5-40.2179.1-69175.3000111.9L362 L363 V478 F479 S484 V485 R486 L532 L537L362-L482 HydrophobicContact CB-CD1 4.45Å; L362-L482 HydrophobicContact CD2-CD1 4.45Å; L363-L482 HydrophobicContact CD1-CB 3.59Å; L363-L482 HydrophobicContact CD1-CD1 4.09Å; L363-L482 HydrophobicContact CD2-CB 4.23Å; L363-L482 HydrophobicContact CG-CB 4.44Å; V478-L482 HydrophobicContact CG1-CD1 3.68Å; V478-L482 HydrophobicContact CG1-CG 4.07Å; V478-L482 VanDerWaalsContact O-CG 3.31Å; V478-L482 WeakPolarHBondContact O-CG 3.01Å; V478-L482 PolarHBondContact O-N 2.74Å; F479-L482 PolarHBondContact O-N 3.42Å; L482-S484 VanDerWaalsContact C-N 3.34Å; L482-S484 PolarHBondContact O-N 3.47Å; L482-V485 PolarHBondContact O-N 3.17Å; L482-R486 WeakPolarHBondContact O-CB 3.44Å; L482-R486 PolarHBondContact O-N 3.42Å; L482-L532 HydrophobicContact CD2-CB 4.2Å; L482-L532 HydrophobicContact CD2-CD1 4.12Å; L482-L537 HydrophobicContact CD1-CD1 3.84Å; L482-L537 HydrophobicContact CD2-CD1 4.15Å
483L93.4Very high92.5Very high6 Ų624.4 Ų24.43%0.03112%0.116CC..Hα-helixtrans-63.3-40.1176-174.367.6000111.7L363 F369 I373 W450 L453 F479 Y481 R486 R487L363-L483 HydrophobicContact CD2-CB 4.29Å; L363-L483 HydrophobicContact CD2-CD1 4.19Å; F369-L483 HydrophobicContact CD1-CD1 4.31Å; I373-L483 HydrophobicContact CD1-CD1 3.95Å; I373-L483 HydrophobicContact CG1-CD1 4.08Å; W450-L483 HydrophobicContact CE3-CD2 4.41Å; W450-L483 HydrophobicContact CZ3-CD2 4.23Å; L453-L483 HydrophobicContact CD2-CD2 3.59Å; F479-L483 HydrophobicContact CE1-CD2 4.25Å; F479-L483 HydrophobicContact CZ-CD2 4.04Å; F479-L483 VanDerWaalsContact O-CB 3.27Å; F479-L483 WeakPolarHBondContact O-CB 3.31Å; F479-L483 PolarHBondContact O-N 2.7Å; Y481-L483 VanDerWaalsContact C-N 3.31Å; Y481-L483 PolarHBondContact O-N 3.44Å; L483-R486 PolarHBondContact O-N 2.85Å; L483-R487 VanDerWaalsContact O-CB 3.3Å; L483-R487 WeakPolarHBondContact O-CB 3.38Å; L483-R487 PolarHBondContact O-N 3.04Å
484S92.4Very high92.5Very high29 Ų2925.6 Ų25.620%0.20312%0.122CC..Hα-helixtrans-60-49175.4-172.40000111.9K480 Y481 L482 R486 R487 V488K480-S484 WeakPolarHBondContact O-CB 3.47Å; K480-S484 PolarHBondContact O-N 3.15Å; Y481-S484 WeakPolarHBondContact O-CB 3.38Å; Y481-S484 PolarHBondContact O-N 2.8Å; Y481-S484 VanDerWaalsContact O-N 3.17Å; L482-S484 VanDerWaalsContact C-N 3.34Å; L482-S484 PolarHBondContact O-N 3.47Å; S484-R486 VanDerWaalsContact C-N 3.34Å; S484-R486 PolarHBondContact O-N 3.42Å; S484-R487 PolarHBondContact O-N 2.96Å; S484-V488 PolarHBondContact O-N 3.44Å
485V93.8Very high92.4Very high2 Ų223.3 Ų23.31%0.01211%0.112CC..Hα-helixtrans-59.4-46.1176.7178.20000110.8Y481 L482 R487 V488 Q489 V525 L528 Q529 L532 L587Y481-V485 HydrophobicContact CE2-CG2 4.16Å; Y481-V485 PolarHBondContact O-N 2.86Å; Y481-V485 VanDerWaalsContact O-N 3.12Å; L482-V485 PolarHBondContact O-N 3.17Å; V485-R487 VanDerWaalsContact C-N 3.34Å; V485-R487 PolarHBondContact O-N 2.67Å; V485-V488 PolarHBondContact O-N 3.02Å; V485-Q489 PolarHBondContact O-N 3.45Å; V485-V525 HydrophobicContact CG1-CG1 4.21Å; V485-L528 HydrophobicContact CG1-CD2 4.38Å; V485-L528 HydrophobicContact CG2-CD2 4.22Å; V485-Q529 HydrophobicContact CG1-CB 4.1Å; V485-L532 HydrophobicContact CG2-CD1 4.39Å; V485-L587 HydrophobicContact CG2-CD1 3.94Å; V485-L587 HydrophobicContact CG2-CD2 4.39Å
486R93.8Very high92.1Very high45 Ų4528 Ų2817%0.1713%0.129CC..Hα-helixtrans-63.9-38.2179.4-175.158.6-179.6-171.1-1.2112.4L363 I373 L482 L483 S484 Q489 A490L363-R486 HydrophobicContact CD2-CB 4.23Å; I373-R486 HydrophobicContact CD1-CB 4.35Å; I373-R486 HydrophobicContact CD1-CG 3.84Å; L482-R486 WeakPolarHBondContact O-CB 3.44Å; L482-R486 PolarHBondContact O-N 3.42Å; L483-R486 PolarHBondContact O-N 2.85Å; S484-R486 VanDerWaalsContact C-N 3.34Å; S484-R486 PolarHBondContact O-N 3.42Å; R486-Q489 VanDerWaalsContact CD-OE1 3.31Å; R486-Q489 WeakPolarHBondContact O-CB 3.45Å; R486-Q489 PolarHBondContact O-N 2.94Å; R486-A490 PolarHBondContact O-N 3.06Å
487R92.6Very high91.8Very high37 Ų3729.6 Ų29.614%0.1414%0.144CC..Hα-helixtrans-66-47.1177.2-174176.162.6106.8-6.6111.6I373 L483 S484 V485 Q489 A490 E491 H591I373-R487 HydrophobicContact CD1-CB 4.45Å; I373-R487 HydrophobicContact CG2-CG 4.24Å; L483-R487 VanDerWaalsContact O-CB 3.3Å; L483-R487 WeakPolarHBondContact O-CB 3.38Å; L483-R487 PolarHBondContact O-N 3.04Å; S484-R487 PolarHBondContact O-N 2.96Å; V485-R487 VanDerWaalsContact C-N 3.34Å; V485-R487 PolarHBondContact O-N 2.67Å; R487-Q489 VanDerWaalsContact C-N 3.28Å; R487-Q489 PolarHBondContact O-N 3.47Å; R487-A490 PolarHBondContact O-N 3.36Å; R487-E491 IonicContact NH1-OE1 3.63Å; R487-E491 PolarHBondContact NH1-OE1 3.34Å; R487-E491 WeakPolarHBondContact O-CG 3.05Å; R487-E491 PolarHBondContact O-N 3.25Å; R487-H591 PolarHBondContact NH1-CE1 3.04Å; R487-H591 VanDerWaalsContact NH1-CE1 3.26Å; R487-H591 PolarHBondContact NH2-CE1 3.34Å; R487-H591 PolarHBondContact NH2-NE2 3.2Å
488V93.4Very high91.4Very high0 Ų029.7 Ų29.70%014%0.144CC..Hα-helixtrans-57.4-44.3174.7172.40000111.1S484 V485 E491 L492 V525 L587 C590 H591S484-V488 PolarHBondContact O-N 3.44Å; V485-V488 PolarHBondContact O-N 3.02Å; V488-E491 PolarHBondContact O-N 2.98Å; V488-L492 HydrophobicContact CG1-CD1 3.82Å; V488-L492 HydrophobicContact CG1-CG 4.33Å; V488-L492 WeakPolarHBondContact O-CB 3.49Å; V488-L492 WeakPolarHBondContact O-CG 3.46Å; V488-L492 PolarHBondContact O-N 2.82Å; V488-V525 HydrophobicContact CG1-CG1 4.32Å; V488-V525 HydrophobicContact CG1-CG2 3.97Å; V488-L587 HydrophobicContact CB-CD2 3.95Å; V488-L587 HydrophobicContact CG1-CD2 4.06Å; V488-L587 HydrophobicContact CG2-CB 3.91Å; V488-L587 HydrophobicContact CG2-CD2 3.78Å; V488-L587 HydrophobicContact CG2-CG 4.36Å; V488-C590 HydrophobicContact CG1-CB 3.39Å; V488-H591 WeakPolarHBondContact CG2-CE1 3.3Å; V488-H591 WeakPolarHBondContact CG2-NE2 3.47Å
489Q93.7Very high90.8Very high10 Ų1031 Ų315%0.04715%0.15CC..Hα-helixtrans-57.3-51.1176.5-174.3-17124.600111.4V485 R486 R487 E491 L492 Q493 V525 D526V485-Q489 PolarHBondContact O-N 3.45Å; R486-Q489 VanDerWaalsContact CD-OE1 3.31Å; R486-Q489 WeakPolarHBondContact O-CB 3.45Å; R486-Q489 PolarHBondContact O-N 2.94Å; R487-Q489 VanDerWaalsContact C-N 3.28Å; R487-Q489 PolarHBondContact O-N 3.47Å; Q489-E491 VanDerWaalsContact C-N 3.34Å; Q489-E491 PolarHBondContact O-N 3.23Å; Q489-L492 PolarHBondContact O-N 3.11Å; Q489-Q493 WeakPolarHBondContact O-CG 3.43Å; Q489-Q493 PolarHBondContact O-N 3.29Å; Q489-V525 HydrophobicContact CB-CG1 3.91Å; Q489-D526 WeakPolarHBondContact CG-OD1 3.37Å; Q489-D526 PolarHBondContact NE2-OD1 2.97Å
490A91.9Very high90.2Very high8 Ų834.3 Ų34.37%0.06617%0.166CC..Hα-helixtrans-60.6-42.3178.900000112R486 R487 Q493 H494R486-A490 PolarHBondContact O-N 3.06Å; R487-A490 PolarHBondContact O-N 3.36Å; A490-Q493 PolarHBondContact O-N 3.47Å; A490-H494 WeakPolarHBondContact O-CB 3.29Å; A490-H494 PolarHBondContact O-N 3.12Å
491E91.3Very high89.5Confident23 Ų2338.8 Ų38.811%0.10719%0.188CC..Hα-helixtrans-64.5-41177.7-72.3-178.7-163.100112.4Q377 R487 V488 Q489 Q493 H494 C495 H591 C594Q377-E491 PolarHBondContact NE2-OE1 3.43Å; R487-E491 IonicContact NH1-OE1 3.63Å; R487-E491 PolarHBondContact NH1-OE1 3.34Å; R487-E491 WeakPolarHBondContact O-CG 3.05Å; R487-E491 PolarHBondContact O-N 3.25Å; V488-E491 PolarHBondContact O-N 2.98Å; Q489-E491 VanDerWaalsContact C-N 3.34Å; Q489-E491 PolarHBondContact O-N 3.23Å; E491-Q493 VanDerWaalsContact C-N 3.31Å; E491-Q493 PolarHBondContact O-N 3.28Å; E491-H494 PolarHBondContact O-N 3.36Å; E491-C495 WeakPolarHBondContact O-CB 3.21Å; E491-C495 PolarHBondContact O-N 2.95Å; E491-C495 PolarHBondContact O-SG 2.8Å; E491-H591 VanDerWaalsContact CD-ND1 3.31Å; E491-H591 IonicContact OE1-CE1 2.6Å; E491-H591 PolarHBondContact OE1-CE1 2.99Å; E491-H591 IonicContact OE1-ND1 3.09Å; E491-H591 PolarHBondContact OE1-ND1 3.1Å; E491-H591 IonicContact OE2-CE1 3.62Å; E491-H591 PolarHBondContact OE2-CE1 3.44Å; E491-H591 IonicContact OE2-CG 2.73Å; E491-H591 IonicContact OE2-ND1 3.6Å; E491-H591 PolarHBondContact OE2-ND1 3.06Å; E491-C594 HydrophobicContact CB-CB 4.17Å
492L92.3Very high88.4Confident2 Ų243.5 Ų43.51%0.0121%0.206CC..Hα-helixtrans-66-33.6175.6-74168.9000112.4V488 Q489 W496 R518 M521 V525 C590 F593 C594V488-L492 HydrophobicContact CG1-CD1 3.82Å; V488-L492 HydrophobicContact CG1-CG 4.33Å; V488-L492 WeakPolarHBondContact O-CB 3.49Å; V488-L492 WeakPolarHBondContact O-CG 3.46Å; V488-L492 PolarHBondContact O-N 2.82Å; Q489-L492 PolarHBondContact O-N 3.11Å; L492-W496 PolarHBondContact O-N 3.24Å; L492-R518 HydrophobicContact CD2-CG 4.47Å; L492-R518 PolarHBondContact O-NE 3.28Å; L492-R518 VanDerWaalsContact O-NE 3.1Å; L492-R518 PolarHBondContact O-NH2 2.67Å; L492-M521 HydrophobicContact CD1-CB 4.11Å; L492-M521 HydrophobicContact CD2-CB 4.05Å; L492-M521 HydrophobicContact CD2-SD 4.45Å; L492-V525 HydrophobicContact CD1-CB 4.46Å; L492-V525 HydrophobicContact CD1-CG2 4.19Å; L492-C590 HydrophobicContact CD1-CB 4.29Å; L492-F593 HydrophobicContact CD2-CD1 4.05Å; L492-F593 HydrophobicContact CD2-CE1 4.39Å; L492-C594 VanDerWaalsContact CD2-SG 3.59Å
493Q91.1Very high87.1Confident86 Ų8649.7 Ų49.740%0.40223%0.232SC..Hα-helixtrans-70.1-44.4172.8-71.3175.7200111.3Q489 A490 E491 C495 W496 A497Q489-Q493 WeakPolarHBondContact O-CG 3.43Å; Q489-Q493 PolarHBondContact O-N 3.29Å; A490-Q493 PolarHBondContact O-N 3.47Å; E491-Q493 VanDerWaalsContact C-N 3.31Å; E491-Q493 PolarHBondContact O-N 3.28Å; Q493-C495 PolarHBondContact O-N 3.23Å; Q493-W496 WeakPolarHBondContact O-CB 3.47Å; Q493-W496 PolarHBondContact O-N 3.21Å; Q493-A497 PolarHBondContact O-N 3.27Å; Q493-A497 VanDerWaalsContact O-N 3.08Å
494H89.1Confident85.4Confident110 Ų11058.5 Ų58.551%0.50927%0.273SS..Hα-helixtrans-60.8-45176.3-174.574.4000112.1A490 E491 W496 A497 L498A490-H494 WeakPolarHBondContact O-CB 3.29Å; A490-H494 PolarHBondContact O-N 3.12Å; E491-H494 PolarHBondContact O-N 3.36Å; H494-W496 PolarHBondContact O-N 3.47Å; H494-A497 WeakPolarHBondContact O-CB 3.37Å; H494-A497 PolarHBondContact O-N 2.68Å; H494-A497 VanDerWaalsContact O-N 3.09Å; H494-L498 WeakPolarHBondContact O-CG 3.49Å; H494-L498 PolarHBondContact O-N 3.17Å
495C87.7Confident84Confident1 Ų162.8 Ų62.81%0.00729%0.293CS..Hα-helixtrans-57.7-35.8177-72.10000112.7E491 Q493 Q499 C594 V597E491-C495 WeakPolarHBondContact O-CB 3.21Å; E491-C495 PolarHBondContact O-N 2.95Å; E491-C495 PolarHBondContact O-SG 2.8Å; Q493-C495 PolarHBondContact O-N 3.23Å; C495-Q499 VanDerWaalsContact O-CG 3.25Å; C495-Q499 WeakPolarHBondContact O-CG 3.2Å; C495-Q499 PolarHBondContact O-N 3.37Å; C495-C594 WeakPolarHBondContact SG-CA 3.34Å; C495-C594 VanDerWaalsContact SG-CB 3.56Å; C495-C594 VanDerWaalsContact SG-SG 3.7Å; C495-V597 HydrophobicContact CB-CG1 4.1Å
496W87.8Confident82.4Confident99 Ų9972.1 Ų72.138%0.37533%0.333SS..Hα-helixtrans-71.7-40.7175169.3-111.5000113.6L492 Q493 H494 L498 Q499 M500 R518L492-W496 PolarHBondContact O-N 3.24Å; Q493-W496 WeakPolarHBondContact O-CB 3.47Å; Q493-W496 PolarHBondContact O-N 3.21Å; H494-W496 PolarHBondContact O-N 3.47Å; W496-L498 VanDerWaalsContact C-N 3.26Å; W496-L498 PolarHBondContact O-N 3.06Å; W496-Q499 PolarHBondContact O-N 3.02Å; W496-M500 HydrophobicContact CH2-CE 3.32Å; W496-M500 HydrophobicContact CZ2-CE 3.04Å; W496-M500 HydrophobicContact CZ3-CE 4.17Å; W496-M500 VanDerWaalsContact O-CB 3.29Å; W496-M500 WeakPolarHBondContact O-CB 3.43Å; W496-M500 PolarHBondContact O-N 3.36Å; W496-R518 VanDerWaalsContact CG-NH2 3.35Å
497A87.1Confident81Confident46 Ų4673.6 Ų73.638%0.3835%0.35SS..Hα-helixtrans-57.2-45.1174.200000110.5Q493 H494 Q499 M500 Q501Q493-A497 PolarHBondContact O-N 3.27Å; Q493-A497 VanDerWaalsContact O-N 3.08Å; H494-A497 WeakPolarHBondContact O-CB 3.37Å; H494-A497 PolarHBondContact O-N 2.68Å; H494-A497 VanDerWaalsContact O-N 3.09Å; A497-Q499 PolarHBondContact O-N 3.44Å; A497-M500 PolarHBondContact O-N 3.34Å; A497-Q501 WeakPolarHBondContact O-CG 3.44Å; A497-Q501 PolarHBondContact O-N 3.03Å; A497-Q501 VanDerWaalsContact O-N 3.09Å
498L83.5Confident79.9Confident36 Ų3675.2 Ų75.219%0.18836%0.362CS..Hα-helixtrans-60.7-43.6175.5-68.6174.9000112.9H494 W496 L601H494-L498 WeakPolarHBondContact O-CG 3.49Å; H494-L498 PolarHBondContact O-N 3.17Å; W496-L498 VanDerWaalsContact C-N 3.26Å; W496-L498 PolarHBondContact O-N 3.06Å; L498-L601 HydrophobicContact CB-CD2 3.9Å; L498-L601 HydrophobicContact CD1-CD2 4.26Å
499Q79.4Confident79Confident27 Ų2782.4 Ų82.413%0.12640%0.395CS..Hα-helixtrans-67.8-39.3177.7-73.4172-1000112.3C495 W496 A497 R502 V597C495-Q499 VanDerWaalsContact O-CG 3.25Å; C495-Q499 WeakPolarHBondContact O-CG 3.2Å; C495-Q499 PolarHBondContact O-N 3.37Å; W496-Q499 PolarHBondContact O-N 3.02Å; A497-Q499 PolarHBondContact O-N 3.44Å; Q499-R502 PolarHBondContact O-N 2.93Å; Q499-R502 VanDerWaalsContact O-N 3.13Å; Q499-V597 HydrophobicContact CG-CG1 4.1Å
500M80.9Confident78.1Confident71 Ų7184 Ų8435%0.3541%0.406SS..Hα-helixtrans-68.5-35.4-178.6-176.259.168.600112.2W496 A497 R502 K503W496-M500 HydrophobicContact CH2-CE 3.32Å; W496-M500 HydrophobicContact CZ2-CE 3.04Å; W496-M500 HydrophobicContact CZ3-CE 4.17Å; W496-M500 VanDerWaalsContact O-CB 3.29Å; W496-M500 WeakPolarHBondContact O-CB 3.43Å; W496-M500 PolarHBondContact O-N 3.36Å; A497-M500 PolarHBondContact O-N 3.34Å; M500-R502 PolarHBondContact O-N 2.76Å; M500-R502 VanDerWaalsContact O-N 3.08Å; M500-K503 HydrophobicContact CE-CD 4.34Å; M500-K503 VanDerWaalsContact O-CB 3.29Å; M500-K503 WeakPolarHBondContact O-CB 3.49Å; M500-K503 PolarHBondContact O-N 2.91Å; M500-K503 VanDerWaalsContact O-N 3.1Å; M500-K503 HydrophobicContact SD-CB 4.12Å; M500-K503 HydrophobicContact SD-CD 3.42Å; M500-K503 WeakPolarHBondContact SD-CD 3.42Å; M500-K503 HydrophobicContact SD-CG 4.37Å
501Q76.7Confident77.4Confident153 Ų15385 Ų8572%0.71541%0.41SS*.THydrogen-bonded Turntrans-57.6-22172.4-74.8175.4-8.800112.9A497A497-Q501 WeakPolarHBondContact O-CG 3.44Å; A497-Q501 PolarHBondContact O-N 3.03Å; A497-Q501 VanDerWaalsContact O-N 3.09Å
502R71.1Confident77Confident110 Ų11086.4 Ų86.442%0.41543%0.425SS..THydrogen-bonded Turntrans-103.38.6-179.4-69.9-173.2175.2-154.1-2.4114.5Q499 M500 H504 L505 L601Q499-R502 PolarHBondContact O-N 2.93Å; Q499-R502 VanDerWaalsContact O-N 3.13Å; M500-R502 PolarHBondContact O-N 2.76Å; M500-R502 VanDerWaalsContact O-N 3.08Å; R502-H504 PolarHBondContact O-N 3.47Å; R502-L505 HydrophobicContact CB-CD1 4.16Å; R502-L505 HydrophobicContact CG-CD1 4.24Å; R502-L505 PolarHBondContact O-N 3.1Å; R502-L601 WeakPolarHBondContact CD-O 3.36Å; R502-L601 PolarHBondContact NH1-O 3.29Å
503K65.9Low76.6Confident143 Ų14390.1 Ų90.162%0.62245%0.445SS*.THydrogen-bonded Turntrans-56.5-18.5-176.5-175.2171.2173.6-173.70114.7M500M500-K503 HydrophobicContact CE-CD 4.34Å; M500-K503 VanDerWaalsContact O-CB 3.29Å; M500-K503 WeakPolarHBondContact O-CB 3.49Å; M500-K503 PolarHBondContact O-N 2.91Å; M500-K503 VanDerWaalsContact O-N 3.1Å; M500-K503 HydrophobicContact SD-CB 4.12Å; M500-K503 HydrophobicContact SD-CD 3.42Å; M500-K503 WeakPolarHBondContact SD-CD 3.42Å; M500-K503 HydrophobicContact SD-CG 4.37Å
504H58.8Low76.2Confident190 Ų19086.4 Ų86.488%0.8843%0.427SS*.THydrogen-bonded Turntrans-83.6-5.4177.9-64.1-73.1000114.9R502R502-H504 PolarHBondContact O-N 3.47Å
505L62.1Low75.9Confident119 Ų11985.9 Ų85.962%0.62342%0.421SS*.SBendtrans-88153.4174.8-67.3165.8000110.7R502 S507R502-L505 HydrophobicContact CB-CD1 4.16Å; R502-L505 HydrophobicContact CG-CD1 4.24Å; R502-L505 PolarHBondContact O-N 3.1Å; L505-S507 PolarHBondContact O-N 2.78Å; L505-S507 VanDerWaalsContact O-N 3.16Å
506K60.2Low75.9Confident199 Ų19993 Ų9387%0.86545%0.448SS*.PPolyproline II helixtrans-56120.3-179.3-69-176.5179.3-179.60110.2
507S63.9Low75.8Confident75 Ų7589 Ų8952%0.52443%0.433SS..PPolyproline II helixtrans-79.5129.2-178.4-173.70000110.8L505L505-S507 PolarHBondContact O-N 2.78Å; L505-S507 VanDerWaalsContact O-N 3.16Å
508N70.4Confident76Confident72 Ų7288.3 Ų88.339%0.38542%0.421SS..PPolyproline II helixtrans-99.3160.3176.3-70.7-9.7000111T510 D511N508-T510 PolarHBondContact O-N 2.85Å; N508-T510 VanDerWaalsContact O-N 3.17Å; N508-D511 PolarHBondContact N-OD2 3.31Å; N508-D511 VanDerWaalsContact N-OD2 3.07Å; N508-D511 WeakPolarHBondContact O-CB 3.28Å; N508-D511 PolarHBondContact O-N 3.37Å
509Q73.4Confident76.3Confident151 Ų15191.7 Ų91.771%0.70644%0.439SS*.Hα-helixtrans-56.1-33.1176.2-170.9175.24.600112.6D511 A512 I513Q509-D511 VanDerWaalsContact C-N 3.28Å; Q509-D511 PolarHBondContact O-N 2.91Å; Q509-A512 WeakPolarHBondContact O-CB 3.42Å; Q509-A512 PolarHBondContact O-N 3.26Å; Q509-I513 PolarHBondContact O-N 3.29Å
510T75.2Confident76.6Confident43 Ų4391.8 Ų91.826%0.26444%0.439SS..Hα-helixtrans-62.9-30.8175.3-45.50000112.9N508 I513 K514 L604 L612N508-T510 PolarHBondContact O-N 2.85Å; N508-T510 VanDerWaalsContact O-N 3.17Å; T510-I513 PolarHBondContact O-N 3.31Å; T510-K514 WeakPolarHBondContact O-CG 3.16Å; T510-K514 PolarHBondContact O-N 3Å; T510-L604 HydrophobicContact CG2-CB 4.37Å; T510-L604 HydrophobicContact CG2-CD1 3.68Å; T510-L604 HydrophobicContact CG2-CG 4.12Å; T510-L612 HydrophobicContact CG2-CD2 3.97Å
511D78.2Confident77.1Confident28 Ų2888.4 Ų88.415%0.1542%0.423CS..Hα-helixtrans-72.4-34.7179-60.3-39.4000111.4N508 Q509 I513 K514 W515N508-D511 PolarHBondContact N-OD2 3.31Å; N508-D511 VanDerWaalsContact N-OD2 3.07Å; N508-D511 WeakPolarHBondContact O-CB 3.28Å; N508-D511 PolarHBondContact O-N 3.37Å; Q509-D511 VanDerWaalsContact C-N 3.28Å; Q509-D511 PolarHBondContact O-N 2.91Å; D511-I513 VanDerWaalsContact C-N 3.3Å; D511-I513 PolarHBondContact O-N 3.2Å; D511-K514 PolarHBondContact O-N 3.03Å; D511-K514 IonicContact OD1-NZ 2.75Å; D511-K514 PolarHBondContact OD1-NZ 2.9Å; D511-W515 HydrophobicContact CB-CZ2 4.22Å; D511-W515 WeakPolarHBondContact O-CB 3.48Å; D511-W515 PolarHBondContact O-N 3.36Å
512A81.7Confident77.8Confident53 Ų5381.5 Ų81.544%0.43839%0.392SS..Hα-helixtrans-61.2-39.8172.300000111.8Q509 W515 R516Q509-A512 WeakPolarHBondContact O-CB 3.42Å; Q509-A512 PolarHBondContact O-N 3.26Å; A512-W515 PolarHBondContact O-N 2.83Å; A512-R516 VanDerWaalsContact O-CB 3.31Å; A512-R516 WeakPolarHBondContact O-CB 3.04Å; A512-R516 PolarHBondContact O-N 3.29Å
513I83.5Confident78.7Confident81 Ų8179.9 Ų79.942%0.41539%0.388SS..Hα-helixtrans-65.1-45.9175.7-60.6172.6000110.5Q509 T510 D511 W515 R516 L517 L612 V616Q509-I513 PolarHBondContact O-N 3.29Å; T510-I513 PolarHBondContact O-N 3.31Å; D511-I513 VanDerWaalsContact C-N 3.3Å; D511-I513 PolarHBondContact O-N 3.2Å; I513-W515 PolarHBondContact O-N 3.46Å; I513-R516 PolarHBondContact O-N 3.41Å; I513-L517 WeakPolarHBondContact O-CB 3.39Å; I513-L517 PolarHBondContact O-N 3.42Å; I513-L612 HydrophobicContact CB-CD2 4.45Å; I513-L612 HydrophobicContact CG2-CD2 4.04Å; I513-L612 HydrophobicContact CG2-CG 4.41Å; I513-V616 HydrophobicContact CG2-CG2 4.12Å
514K82.9Confident79.9Confident7 Ų773.3 Ų73.33%0.0336%0.36CS..Hα-helixtrans-58.1-48.4175.7-68.9172.6-172.3167.90111.4T510 D511 R516 L517 R518 G602 L604 L612T510-K514 WeakPolarHBondContact O-CG 3.16Å; T510-K514 PolarHBondContact O-N 3Å; D511-K514 PolarHBondContact O-N 3.03Å; D511-K514 IonicContact OD1-NZ 2.75Å; D511-K514 PolarHBondContact OD1-NZ 2.9Å; K514-R516 PolarHBondContact O-N 3.31Å; K514-L517 PolarHBondContact O-N 2.98Å; K514-R518 VanDerWaalsContact O-CB 3.26Å; K514-R518 WeakPolarHBondContact O-CB 3.24Å; K514-R518 PolarHBondContact O-N 3.17Å; K514-G602 PolarHBondContact NZ-O 3.41Å; K514-L604 VanDerWaalsContact CE-CD1 3.43Å; K514-L604 VanDerWaalsContact CE-CG 3.4Å; K514-L612 HydrophobicContact CG-CD1 4.42Å; K514-L612 HydrophobicContact CG-CD2 3.85Å
515W84.4Confident81.5Confident99 Ų9964.3 Ų64.338%0.37532%0.318SS..Hα-helixtrans-63.5-41.5-179.7-63.2-19.8000112D511 A512 I513 N519D511-W515 HydrophobicContact CB-CZ2 4.22Å; D511-W515 WeakPolarHBondContact O-CB 3.48Å; D511-W515 PolarHBondContact O-N 3.36Å; A512-W515 PolarHBondContact O-N 2.83Å; I513-W515 PolarHBondContact O-N 3.46Å; W515-N519 WeakPolarHBondContact O-CB 3.47Å; W515-N519 PolarHBondContact O-N 3.4Å
516R85.8Confident82.9Confident152 Ų15261.4 Ų61.457%0.57430%0.303SS*.Hα-helixtrans-64.9-47.5177.7-173.8177.2-179.2-173.3-0.6111.8A512 I513 K514 N519 H520A512-R516 VanDerWaalsContact O-CB 3.31Å; A512-R516 WeakPolarHBondContact O-CB 3.04Å; A512-R516 PolarHBondContact O-N 3.29Å; I513-R516 PolarHBondContact O-N 3.41Å; K514-R516 PolarHBondContact O-N 3.31Å; R516-N519 PolarHBondContact O-N 3.12Å; R516-H520 PolarHBondContact O-N 3.27Å; R516-H520 VanDerWaalsContact O-N 3.13Å
517L87.6Confident84.4Confident13 Ų1353.5 Ų53.57%0.06827%0.271CS..Hα-helixtrans-61-47.6177.7-178.462.9000110.7I513 K514 N519 H520 M521 F593 L612 L615 V616 F619I513-L517 WeakPolarHBondContact O-CB 3.39Å; I513-L517 PolarHBondContact O-N 3.42Å; K514-L517 PolarHBondContact O-N 2.98Å; L517-N519 PolarHBondContact O-N 3.21Å; L517-H520 PolarHBondContact O-N 3.5Å; L517-M521 HydrophobicContact CD1-CE 3.93Å; L517-M521 HydrophobicContact CD1-CG 4.42Å; L517-M521 HydrophobicContact CD1-SD 4.34Å; L517-M521 HydrophobicContact CD2-CE 3.99Å; L517-M521 HydrophobicContact CD2-SD 4.36Å; L517-M521 HydrophobicContact CG-CE 3.91Å; L517-M521 HydrophobicContact CG-CG 4.45Å; L517-M521 HydrophobicContact CG-SD 3.91Å; L517-M521 WeakPolarHBondContact O-CG 3.34Å; L517-M521 PolarHBondContact O-N 3.12Å; L517-F593 HydrophobicContact CB-CE2 4.48Å; L517-F593 HydrophobicContact CD2-CD2 3.63Å; L517-F593 HydrophobicContact CD2-CE2 3.89Å; L517-F593 HydrophobicContact CD2-CG 4.39Å; L517-F593 HydrophobicContact CG-CD2 4.4Å; L517-F593 HydrophobicContact CG-CE2 4.4Å; L517-L612 HydrophobicContact CD2-CD1 3.99Å; L517-L615 HydrophobicContact CD2-CB 4.37Å; L517-V616 HydrophobicContact CD1-CG2 4.3Å; L517-V616 HydrophobicContact CD2-CG2 3.79Å; L517-V616 HydrophobicContact CG-CG2 4.43Å; L517-F619 HydrophobicContact CD1-CB 4.2Å; L517-F619 HydrophobicContact CD1-CD1 3.87Å; L517-F619 HydrophobicContact CD1-CG 4.2Å
518R90.4Very high85.6Confident33 Ų3350.1 Ų50.113%0.12525%0.247CC..Hα-helixtrans-57.7-48177.3-176.3-89.8-174.4-173.7-1.3112.1L492 W496 K514 H520 M521 A522 F593L492-R518 HydrophobicContact CD2-CG 4.47Å; L492-R518 PolarHBondContact O-NE 3.28Å; L492-R518 VanDerWaalsContact O-NE 3.1Å; L492-R518 PolarHBondContact O-NH2 2.67Å; W496-R518 VanDerWaalsContact CG-NH2 3.35Å; K514-R518 VanDerWaalsContact O-CB 3.26Å; K514-R518 WeakPolarHBondContact O-CB 3.24Å; K514-R518 PolarHBondContact O-N 3.17Å; R518-H520 PolarHBondContact O-N 3.23Å; R518-M521 PolarHBondContact O-N 3.35Å; R518-A522 VanDerWaalsContact O-CB 3.3Å; R518-A522 WeakPolarHBondContact O-CB 3.49Å; R518-A522 PolarHBondContact O-N 3.23Å; R518-F593 HydrophobicContact CB-CE1 3.63Å; R518-F593 HydrophobicContact CB-CZ 3.73Å; R518-F593 HydrophobicContact CG-CE1 3.94Å; R518-F593 HydrophobicContact CG-CZ 4.46Å
519N88.8Confident86.6Confident107 Ų10747.9 Ų47.957%0.57223%0.234SC*.Hα-helixtrans-58.4-41.4-179.9-173.723.2000110.7W515 R516 L517 F523W515-N519 WeakPolarHBondContact O-CB 3.47Å; W515-N519 PolarHBondContact O-N 3.4Å; R516-N519 PolarHBondContact O-N 3.12Å; L517-N519 PolarHBondContact O-N 3.21Å; N519-F523 VanDerWaalsContact O-CB 3.3Å; N519-F523 WeakPolarHBondContact O-CB 3.41Å; N519-F523 PolarHBondContact O-N 3.21Å
520H86.4Confident87.5Confident28 Ų2845.9 Ų45.913%0.1322%0.22CC..Hα-helixtrans-71.1-42.7178.8-171.3-160.3000112.7R516 L517 R518 A522 F523 L524 F619 Y655 L662R516-H520 PolarHBondContact O-N 3.27Å; R516-H520 VanDerWaalsContact O-N 3.13Å; L517-H520 PolarHBondContact O-N 3.5Å; R518-H520 PolarHBondContact O-N 3.23Å; H520-A522 PolarHBondContact O-N 3.18Å; H520-F523 PolarHBondContact O-N 3.1Å; H520-L524 PolarHBondContact O-N 2.86Å; H520-F619 HydrophobicContact CB-CE1 4.28Å; H520-F619 AromaticContact CE1-CE1 3.47Å; H520-F619 VanDerWaalsContact CE1-CE1 3.47Å; H520-F619 WeakPolarHBondContact CE1-CE1 3.32Å; H520-F619 AromaticContact CG-CE1 3.75Å; H520-F619 AromaticContact ND1-CE1 3.41Å; H520-F619 WeakPolarHBondContact ND1-CE1 3.47Å; H520-F619 AromaticContact NE2-CE1 3.95Å; H520-Y655 PolarHBondContact CD2-OH 3.36Å; H520-Y655 AromaticContact NE2-CE1 3.54Å; H520-Y655 AromaticContact NE2-CZ 3.52Å; H520-Y655 PolarHBondContact NE2-OH 2.8Å; H520-L662 WeakPolarHBondContact CE1-CD1 3.48Å; H520-L662 WeakPolarHBondContact CE1-CD2 3.46Å; H520-L662 WeakPolarHBondContact ND1-CD1 3.33Å; H520-L662 VanDerWaalsContact ND1-CD2 3.34Å; H520-L662 WeakPolarHBondContact ND1-CD2 3.29Å
521M92.3Very high88.2Confident0 Ų043.9 Ų43.90%021%0.208CC..Hα-helixtrans-57.3-48.2172.5-75.7174.6163.300111.7L492 L517 R518 L524 V525 L589 C590 F593 F619L492-M521 HydrophobicContact CD1-CB 4.11Å; L492-M521 HydrophobicContact CD2-CB 4.05Å; L492-M521 HydrophobicContact CD2-SD 4.45Å; L517-M521 HydrophobicContact CD1-CE 3.93Å; L517-M521 HydrophobicContact CD1-CG 4.42Å; L517-M521 HydrophobicContact CD1-SD 4.34Å; L517-M521 HydrophobicContact CD2-CE 3.99Å; L517-M521 HydrophobicContact CD2-SD 4.36Å; L517-M521 HydrophobicContact CG-CE 3.91Å; L517-M521 HydrophobicContact CG-CG 4.45Å; L517-M521 HydrophobicContact CG-SD 3.91Å; L517-M521 WeakPolarHBondContact O-CG 3.34Å; L517-M521 PolarHBondContact O-N 3.12Å; R518-M521 PolarHBondContact O-N 3.35Å; M521-L524 PolarHBondContact O-N 3Å; M521-V525 VanDerWaalsContact O-CG2 3.31Å; M521-V525 WeakPolarHBondContact O-CG2 3.17Å; M521-V525 PolarHBondContact O-N 3.4Å; M521-L589 HydrophobicContact CE-CB 4.47Å; M521-C590 HydrophobicContact SD-CB 4.47Å; M521-F593 HydrophobicContact CE-CB 4Å; M521-F593 HydrophobicContact CE-CG 4.4Å; M521-F593 HydrophobicContact SD-CB 3.85Å; M521-F593 HydrophobicContact SD-CD1 3.83Å; M521-F593 HydrophobicContact SD-CG 3.8Å; M521-F619 HydrophobicContact CB-CE2 4.31Å; M521-F619 HydrophobicContact CB-CZ 4.23Å; M521-F619 HydrophobicContact CE-CB 3.94Å; M521-F619 HydrophobicContact CE-CD2 3.66Å; M521-F619 HydrophobicContact CE-CE2 4.33Å; M521-F619 HydrophobicContact CE-CG 3.81Å; M521-F619 HydrophobicContact CG-CD1 4.29Å; M521-F619 HydrophobicContact CG-CD2 3.8Å; M521-F619 HydrophobicContact CG-CE1 4Å; M521-F619 HydrophobicContact CG-CE2 3.5Å; M521-F619 HydrophobicContact CG-CG 4.19Å; M521-F619 HydrophobicContact CG-CZ 3.63Å
522A91.3Very high88.9Confident9 Ų942.7 Ų42.77%0.07420%0.202CC..Hα-helixtrans-61.8-46.7177.400000111.4R518 H520 L524 V525 D526R518-A522 VanDerWaalsContact O-CB 3.3Å; R518-A522 WeakPolarHBondContact O-CB 3.49Å; R518-A522 PolarHBondContact O-N 3.23Å; H520-A522 PolarHBondContact O-N 3.18Å; A522-L524 VanDerWaalsContact C-N 3.33Å; A522-L524 PolarHBondContact O-N 3.31Å; A522-V525 PolarHBondContact O-N 2.88Å; A522-D526 VanDerWaalsContact O-CB 3.24Å; A522-D526 WeakPolarHBondContact O-CB 2.93Å; A522-D526 PolarHBondContact O-N 3.08Å
523F90.4Very high89.3Confident76 Ų7643.7 Ų43.733%0.33320%0.197SC..Hα-helixtrans-55.3-46.6176.5175.5-94.2000112.3N519 H520 N527 Y655N519-F523 VanDerWaalsContact O-CB 3.3Å; N519-F523 WeakPolarHBondContact O-CB 3.41Å; N519-F523 PolarHBondContact O-N 3.21Å; H520-F523 PolarHBondContact O-N 3.1Å; F523-N527 WeakPolarHBondContact CD2-ND2 3.39Å; F523-N527 WeakPolarHBondContact CE2-ND2 3.36Å; F523-N527 VanDerWaalsContact CZ-ND2 3.28Å; F523-N527 WeakPolarHBondContact CZ-ND2 3.12Å; F523-N527 WeakPolarHBondContact O-CB 3.36Å; F523-N527 PolarHBondContact O-N 3.15Å; F523-N527 VanDerWaalsContact O-N 3.1Å; F523-N527 PolarHBondContact O-ND2 3.18Å; F523-Y655 AromaticContact CE1-CE2 3.96Å; F523-Y655 HydrophobicContact CE1-CE2 3.96Å
524L90.5Very high89.5Confident5 Ų542.7 Ų42.73%0.02620%0.195CC..Hα-helixtrans-65.2-47.8179.6-171.7158.2000111.2H520 M521 A522 N527 L528 I586 F619 L649H520-L524 PolarHBondContact O-N 2.86Å; M521-L524 PolarHBondContact O-N 3Å; A522-L524 VanDerWaalsContact C-N 3.33Å; A522-L524 PolarHBondContact O-N 3.31Å; L524-N527 PolarHBondContact O-N 3.3Å; L524-L528 WeakPolarHBondContact O-CB 3.47Å; L524-L528 PolarHBondContact O-N 2.9Å; L524-I586 HydrophobicContact CD1-CD1 4.13Å; L524-I586 HydrophobicContact CD2-CD1 4.48Å; L524-I586 HydrophobicContact CD2-CG2 3.9Å; L524-F619 HydrophobicContact CB-CZ 4.45Å; L524-F619 HydrophobicContact CD1-CZ 4.12Å; L524-L649 HydrophobicContact CG-CD2 4.37Å
525V92.9Very high89.8Confident0 Ų044.1 Ų44.10%020%0.203CC..Hα-helixtrans-66.4-41.2-178.31740000111.7V485 V488 Q489 L492 M521 A522 L528 Q529 L587V485-V525 HydrophobicContact CG1-CG1 4.21Å; V488-V525 HydrophobicContact CG1-CG1 4.32Å; V488-V525 HydrophobicContact CG1-CG2 3.97Å; Q489-V525 HydrophobicContact CB-CG1 3.91Å; L492-V525 HydrophobicContact CD1-CB 4.46Å; L492-V525 HydrophobicContact CD1-CG2 4.19Å; M521-V525 VanDerWaalsContact O-CG2 3.31Å; M521-V525 WeakPolarHBondContact O-CG2 3.17Å; M521-V525 PolarHBondContact O-N 3.4Å; A522-V525 PolarHBondContact O-N 2.88Å; V525-L528 PolarHBondContact O-N 2.93Å; V525-Q529 VanDerWaalsContact O-CB 3.32Å; V525-Q529 WeakPolarHBondContact O-CB 3.32Å; V525-Q529 PolarHBondContact O-N 3.48Å; V525-L587 HydrophobicContact CG2-CD2 4.27Å
526D91.6Very high90.1Very high58 Ų5839.5 Ų39.531%0.3119%0.185SC..Hα-helixtrans-64.9-41.8177.7-71.2-31.5000111.2Q489 A522 Q529 Y530Q489-D526 WeakPolarHBondContact CG-OD1 3.37Å; Q489-D526 PolarHBondContact NE2-OD1 2.97Å; A522-D526 VanDerWaalsContact O-CB 3.24Å; A522-D526 WeakPolarHBondContact O-CB 2.93Å; A522-D526 PolarHBondContact O-N 3.08Å; D526-Q529 PolarHBondContact O-N 2.96Å; D526-Y530 WeakPolarHBondContact O-CB 3.13Å; D526-Y530 PolarHBondContact O-N 2.81Å
527N90.1Very high90.4Very high34 Ų3432.7 Ų32.718%0.18216%0.16CC..Hα-helixtrans-68.9-38.3175.8-81.2-76.8000112.6F523 L524 Y530 Y531 L649F523-N527 WeakPolarHBondContact CD2-ND2 3.39Å; F523-N527 WeakPolarHBondContact CE2-ND2 3.36Å; F523-N527 VanDerWaalsContact CZ-ND2 3.28Å; F523-N527 WeakPolarHBondContact CZ-ND2 3.12Å; F523-N527 WeakPolarHBondContact O-CB 3.36Å; F523-N527 PolarHBondContact O-N 3.15Å; F523-N527 VanDerWaalsContact O-N 3.1Å; F523-N527 PolarHBondContact O-ND2 3.18Å; L524-N527 PolarHBondContact O-N 3.3Å; N527-Y530 PolarHBondContact O-N 2.57Å; N527-Y531 WeakPolarHBondContact O-CB 3.17Å; N527-Y531 PolarHBondContact O-N 3.46Å; N527-L649 HydrophobicContact CB-CD2 3.85Å
528L90.8Very high90.6Very high4 Ų436.1 Ų36.12%0.02118%0.176CC..Hα-helixtrans-61.5-48.7173.5176.165.1000110.6V485 L524 V525 Y530 Y531 L532 L583 L645V485-L528 HydrophobicContact CG1-CD2 4.38Å; V485-L528 HydrophobicContact CG2-CD2 4.22Å; L524-L528 WeakPolarHBondContact O-CB 3.47Å; L524-L528 PolarHBondContact O-N 2.9Å; V525-L528 PolarHBondContact O-N 2.93Å; L528-Y530 VanDerWaalsContact C-N 3.32Å; L528-Y530 PolarHBondContact O-N 3.2Å; L528-Y531 PolarHBondContact O-N 3.27Å; L528-L532 HydrophobicContact CD1-CD1 4.14Å; L528-L532 HydrophobicContact CD1-CG 4.32Å; L528-L532 HydrophobicContact CG-CD1 4.03Å; L528-L532 VanDerWaalsContact O-CG 3.29Å; L528-L532 WeakPolarHBondContact O-CG 3.24Å; L528-L532 PolarHBondContact O-N 2.92Å; L528-L583 HydrophobicContact CD1-CD1 4.26Å; L528-L583 HydrophobicContact CD1-CD2 4.32Å; L528-L583 HydrophobicContact CD2-CD2 4.03Å; L528-L645 HydrophobicContact CD1-CD1 4.47Å
529Q91.4Very high90.7Very high25 Ų2536.9 Ų36.912%0.11719%0.187CC..Hα-helixtrans-59.6-44.1177.9-171.7-129.7-5.800111.2V485 V525 D526 L532 Q533V485-Q529 HydrophobicContact CG1-CB 4.1Å; V525-Q529 VanDerWaalsContact O-CB 3.32Å; V525-Q529 WeakPolarHBondContact O-CB 3.32Å; V525-Q529 PolarHBondContact O-N 3.48Å; D526-Q529 PolarHBondContact O-N 2.96Å; Q529-L532 PolarHBondContact O-N 3.44Å; Q529-Q533 VanDerWaalsContact NE2-CD 3.29Å; Q529-Q533 WeakPolarHBondContact O-CB 3.33Å; Q529-Q533 WeakPolarHBondContact O-CG 3.31Å; Q529-Q533 PolarHBondContact O-N 3.45Å
530Y90.7Very high90.9Very high108 Ų10832.2 Ų32.242%0.42416%0.161SC..Hα-helixtrans-62-46.2177.7-174.2-81.6000112.2D526 N527 L528 L532 Q533 V534D526-Y530 WeakPolarHBondContact O-CB 3.13Å; D526-Y530 PolarHBondContact O-N 2.81Å; N527-Y530 PolarHBondContact O-N 2.57Å; L528-Y530 VanDerWaalsContact C-N 3.32Å; L528-Y530 PolarHBondContact O-N 3.2Å; Y530-L532 PolarHBondContact O-N 2.96Å; Y530-Q533 PolarHBondContact O-N 3.28Å; Y530-V534 HydrophobicContact CD1-CB 4.34Å; Y530-V534 HydrophobicContact CD1-CG2 4.29Å; Y530-V534 HydrophobicContact CD2-CG2 4.15Å; Y530-V534 HydrophobicContact CE1-CB 3.87Å; Y530-V534 HydrophobicContact CE1-CG1 4.19Å; Y530-V534 HydrophobicContact CE1-CG2 3.9Å; Y530-V534 HydrophobicContact CE2-CG2 3.82Å; Y530-V534 HydrophobicContact CG-CG2 4.4Å; Y530-V534 WeakPolarHBondContact O-CB 3.28Å; Y530-V534 PolarHBondContact O-N 3.5Å
531Y91.1Very high91.3Very high2 Ų232 Ų321%0.00816%0.16CC..Iπ-helixtrans-57.5-49.2176.4165.6-96.1000111.3N527 L528 Q533 D535 V536 Q571 F573 Q644 L645N527-Y531 WeakPolarHBondContact O-CB 3.17Å; N527-Y531 PolarHBondContact O-N 3.46Å; L528-Y531 PolarHBondContact O-N 3.27Å; Y531-Q533 VanDerWaalsContact C-N 3.33Å; Y531-Q533 PolarHBondContact O-N 3.5Å; Y531-D535 WeakPolarHBondContact CA-OD2 3.28Å; Y531-D535 HydrophobicContact CD2-CB 3.94Å; Y531-D535 HydrophobicContact CE2-CB 4.14Å; Y531-D535 PolarHBondContact O-N 3.33Å; Y531-V536 HydrophobicContact CD1-CG2 4.17Å; Y531-V536 HydrophobicContact CE1-CG2 3.52Å; Y531-V536 HydrophobicContact CE2-CG2 4.11Å; Y531-V536 VanDerWaalsContact CZ-CG2 3.48Å; Y531-V536 PolarHBondContact O-N 2.87Å; Y531-Q571 WeakPolarHBondContact CE1-O 3.47Å; Y531-Q571 PolarHBondContact OH-O 3.49Å; Y531-F573 HydrophobicContact CD1-CE2 4.09Å; Y531-F573 HydrophobicContact CE1-CD2 4.24Å; Y531-F573 AromaticContact CE1-CE2 3.31Å; Y531-F573 HydrophobicContact CE1-CE2 3.31Å; Y531-F573 AromaticContact CE1-CZ 3.62Å; Y531-F573 HydrophobicContact CE1-CZ 3.62Å; Y531-F573 AromaticContact CZ-CE2 3.76Å; Y531-F573 AromaticContact CZ-CZ 3.54Å; Y531-F573 WeakPolarHBondContact OH-CZ 3.45Å; Y531-Q644 HydrophobicContact CD2-CG 4.5Å; Y531-Q644 HydrophobicContact CE2-CB 4.32Å; Y531-Q644 HydrophobicContact CE2-CG 4.34Å; Y531-L645 HydrophobicContact CD1-CB 4.44Å; Y531-L645 HydrophobicContact CD1-CD1 4.02Å; Y531-L645 HydrophobicContact CD2-CB 4.07Å; Y531-L645 HydrophobicContact CD2-CD1 4.38Å; Y531-L645 HydrophobicContact CE1-CB 4.47Å; Y531-L645 HydrophobicContact CE2-CB 4.08Å; Y531-L645 HydrophobicContact CG-CB 4.26Å; Y531-L645 HydrophobicContact CG-CD1 3.82Å
532L91.3Very high91.4Very high2 Ų234.8 Ų34.81%0.0118%0.18CC..Iπ-helixtrans-60.7-42.4179.6-68.3171.1000111.6Y481 L482 V485 L528 Q529 Y530 V536 L537Y481-L532 HydrophobicContact CE1-CD1 3.76Å; Y481-L532 HydrophobicContact CE1-CD2 4.2Å; L482-L532 HydrophobicContact CD2-CB 4.2Å; L482-L532 HydrophobicContact CD2-CD1 4.12Å; V485-L532 HydrophobicContact CG2-CD1 4.39Å; L528-L532 HydrophobicContact CD1-CD1 4.14Å; L528-L532 HydrophobicContact CD1-CG 4.32Å; L528-L532 HydrophobicContact CG-CD1 4.03Å; L528-L532 VanDerWaalsContact O-CG 3.29Å; L528-L532 WeakPolarHBondContact O-CG 3.24Å; L528-L532 PolarHBondContact O-N 2.92Å; Q529-L532 PolarHBondContact O-N 3.44Å; Y530-L532 PolarHBondContact O-N 2.96Å; L532-V536 WeakPolarHBondContact O-CB 3.37Å; L532-L537 VanDerWaalsContact O-CB 3.3Å; L532-L537 WeakPolarHBondContact O-CB 3.48Å; L532-L537 WeakPolarHBondContact O-CD1 3.33Å; L532-L537 WeakPolarHBondContact O-CG 3.45Å; L532-L537 PolarHBondContact O-N 2.83Å
533Q90.6Very high91.5Very high75 Ų7538.2 Ų38.235%0.3519%0.194SC..Iπ-helixtrans-75.3-46-177.7-71.3-174.5-1300113.8Q529 Y530 Y531 L537 E538Q529-Q533 VanDerWaalsContact NE2-CD 3.29Å; Q529-Q533 WeakPolarHBondContact O-CB 3.33Å; Q529-Q533 WeakPolarHBondContact O-CG 3.31Å; Q529-Q533 PolarHBondContact O-N 3.45Å; Y530-Q533 PolarHBondContact O-N 3.28Å; Y531-Q533 VanDerWaalsContact C-N 3.33Å; Y531-Q533 PolarHBondContact O-N 3.5Å; Q533-L537 HydrophobicContact CG-CD1 4.47Å; Q533-L537 WeakPolarHBondContact O-CB 3.32Å; Q533-E538 PolarHBondContact O-N 2.95Å
534V89.1Confident91.7Very high60 Ų6034.8 Ų34.836%0.36418%0.179SC..Iπ-helixtrans-93-52.1-169.5-178.80000112Y530Y530-V534 HydrophobicContact CD1-CB 4.34Å; Y530-V534 HydrophobicContact CD1-CG2 4.29Å; Y530-V534 HydrophobicContact CD2-CG2 4.15Å; Y530-V534 HydrophobicContact CE1-CB 3.87Å; Y530-V534 HydrophobicContact CE1-CG1 4.19Å; Y530-V534 HydrophobicContact CE1-CG2 3.9Å; Y530-V534 HydrophobicContact CE2-CG2 3.82Å; Y530-V534 HydrophobicContact CG-CG2 4.4Å; Y530-V534 WeakPolarHBondContact O-CB 3.28Å; Y530-V534 PolarHBondContact O-N 3.5Å
535D88.4Confident91.9Very high37 Ų3737.6 Ų37.620%0.19819%0.194CC..Iπ-helixtrans-78.8-32.1-174.2-57.3-68.9000112.5Y531 S539 R648Y531-D535 WeakPolarHBondContact CA-OD2 3.28Å; Y531-D535 HydrophobicContact CD2-CB 3.94Å; Y531-D535 HydrophobicContact CE2-CB 4.14Å; Y531-D535 PolarHBondContact O-N 3.33Å; D535-S539 WeakPolarHBondContact O-CB 3.23Å; D535-R648 VanDerWaalsContact CG-NH2 3.3Å; D535-R648 IonicContact OD1-CZ 3.16Å; D535-R648 IonicContact OD1-NE 3.54Å; D535-R648 IonicContact OD1-NH2 3.73Å; D535-R648 PolarHBondContact OD1-NH2 3.28Å; D535-R648 IonicContact OD2-CZ 3.23Å; D535-R648 IonicContact OD2-NE 2.65Å; D535-R648 PolarHBondContact OD2-NE 2.97Å; D535-R648 IonicContact OD2-NH2 2.93Å; D535-R648 PolarHBondContact OD2-NH2 3.41Å; D535-R648 VanDerWaalsContact OD2-NH2 3.09Å
536V91.1Very high91.9Very high1 Ų144.1 Ų44.11%0.00622%0.224CC..Iπ-helixtrans-96.9-69.5-178.1-176.50000110.5Y531 L532 Q540 L568 Q571Y531-V536 HydrophobicContact CD1-CG2 4.17Å; Y531-V536 HydrophobicContact CE1-CG2 3.52Å; Y531-V536 HydrophobicContact CE2-CG2 4.11Å; Y531-V536 VanDerWaalsContact CZ-CG2 3.48Å; Y531-V536 PolarHBondContact O-N 2.87Å; L532-V536 WeakPolarHBondContact O-CB 3.37Å; V536-Q540 VanDerWaalsContact O-CB 3.23Å; V536-Q540 WeakPolarHBondContact O-CB 3.27Å; V536-Q540 VanDerWaalsContact O-CG 3.23Å; V536-Q540 WeakPolarHBondContact O-CG 3.37Å; V536-Q540 PolarHBondContact O-N 3.44Å; V536-L568 HydrophobicContact CG1-CD1 3.75Å; V536-Q571 HydrophobicContact CB-CB 4.4Å; V536-Q571 HydrophobicContact CG1-CB 3.63Å; V536-Q571 HydrophobicContact CG2-CB 3.91Å
537L92.3Very high92Very high10 Ų1045.1 Ų45.15%0.05223%0.227CC..Iπ-helixtrans-62.2-54.7-170.1-74.6170.1000113L362 L482 L532 Q533 F541 L568L362-L537 HydrophobicContact CB-CD1 4.46Å; L362-L537 HydrophobicContact CB-CD2 3.82Å; L362-L537 HydrophobicContact CD1-CD2 3.69Å; L362-L537 HydrophobicContact CD2-CD2 3.93Å; L362-L537 HydrophobicContact CG-CD2 4Å; L482-L537 HydrophobicContact CD1-CD1 3.84Å; L482-L537 HydrophobicContact CD2-CD1 4.15Å; L532-L537 VanDerWaalsContact O-CB 3.3Å; L532-L537 WeakPolarHBondContact O-CB 3.48Å; L532-L537 WeakPolarHBondContact O-CD1 3.33Å; L532-L537 WeakPolarHBondContact O-CG 3.45Å; L532-L537 PolarHBondContact O-N 2.83Å; Q533-L537 HydrophobicContact CG-CD1 4.47Å; Q533-L537 WeakPolarHBondContact O-CB 3.32Å; L537-F541 WeakPolarHBondContact O-CB 3.41Å; L537-F541 PolarHBondContact O-N 2.98Å; L537-L568 HydrophobicContact CD2-CD1 3.37Å; L537-L568 HydrophobicContact CD2-CD2 4.06Å; L537-L568 HydrophobicContact CD2-CG 4.36Å; L537-L568 HydrophobicContact CG-CD1 4.12Å
538E92Very high92.1Very high85 Ų8543.5 Ų43.540%0.39722%0.218SC..Iπ-helixtrans-68.2-40.8-176.4-166.760.8-143.300112.4K358 Q533 S542K358-E538 WeakPolarHBondContact CE-OE2 3.49Å; K358-E538 IonicContact NZ-OE1 3.44Å; K358-E538 PolarHBondContact NZ-OE1 3.35Å; K358-E538 IonicContact NZ-OE2 2.83Å; K358-E538 PolarHBondContact NZ-OE2 3.47Å; Q533-E538 PolarHBondContact O-N 2.95Å; E538-S542 VanDerWaalsContact O-CB 3.3Å; E538-S542 WeakPolarHBondContact O-CB 3.42Å; E538-S542 PolarHBondContact O-N 3.05Å; E538-S542 PolarHBondContact O-OG 2.96Å
539S91.8Very high92Very high49 Ų4947.9 Ų47.934%0.34324%0.242SC..Hα-helixtrans-61.4-53.2176.9-178.30000111.6D535 F541 S542 Q543D535-S539 WeakPolarHBondContact O-CB 3.23Å; S539-F541 VanDerWaalsContact C-N 3.35Å; S539-F541 PolarHBondContact O-N 3.19Å; S539-S542 PolarHBondContact O-N 3.14Å; S539-Q543 WeakPolarHBondContact O-CG 3.46Å; S539-Q543 PolarHBondContact O-N 3.13Å; S539-Q543 VanDerWaalsContact O-N 3.08Å; S539-Q543 PolarHBondContact OG-NE2 3.29Å
540Q93.1Very high92.1Very high9 Ų950.7 Ų50.74%0.04226%0.264CS..Hα-helixtrans-66.5-37.5-178.3-67.3-52.9113.900111.6V536 Q543 L544 F564 N567 Q571V536-Q540 VanDerWaalsContact O-CB 3.23Å; V536-Q540 WeakPolarHBondContact O-CB 3.27Å; V536-Q540 VanDerWaalsContact O-CG 3.23Å; V536-Q540 WeakPolarHBondContact O-CG 3.37Å; V536-Q540 PolarHBondContact O-N 3.44Å; Q540-Q543 PolarHBondContact O-N 3.42Å; Q540-L544 PolarHBondContact O-N 3.49Å; Q540-F564 HydrophobicContact CB-CD2 3.7Å; Q540-F564 HydrophobicContact CB-CE2 3.7Å; Q540-F564 WeakPolarHBondContact O-CD2 3.44Å; Q540-N567 PolarHBondContact NE2-ND2 3.49Å; Q540-N567 VanDerWaalsContact NE2-ND2 3.17Å; Q540-Q571 VanDerWaalsContact CG-OE1 3.31Å
541F94.9Very high92.2Very high23 Ų2346.9 Ų46.910%0.10125%0.252CS..Hα-helixtrans-67.5-38.5177.7-171.6-95.8000111.8L354 K358 L537 S539 Q543 L544 L545 F564L354-F541 HydrophobicContact CB-CE2 4.37Å; L354-F541 HydrophobicContact CB-CZ 4.44Å; K358-F541 HydrophobicContact CB-CD2 4.21Å; K358-F541 HydrophobicContact CB-CE2 3.79Å; K358-F541 HydrophobicContact CB-CZ 4.13Å; K358-F541 HydrophobicContact CD-CD1 3.72Å; K358-F541 HydrophobicContact CD-CD2 3.99Å; K358-F541 HydrophobicContact CD-CE1 3.72Å; K358-F541 HydrophobicContact CD-CE2 3.99Å; K358-F541 HydrophobicContact CD-CG 3.86Å; K358-F541 HydrophobicContact CD-CZ 3.85Å; K358-F541 HydrophobicContact CG-CD2 4.19Å; K358-F541 HydrophobicContact CG-CE2 4.2Å; K358-F541 HydrophobicContact CG-CG 4.45Å; K358-F541 HydrophobicContact CG-CZ 4.48Å; L537-F541 WeakPolarHBondContact O-CB 3.41Å; L537-F541 PolarHBondContact O-N 2.98Å; S539-F541 VanDerWaalsContact C-N 3.35Å; S539-F541 PolarHBondContact O-N 3.19Å; F541-Q543 VanDerWaalsContact C-N 3.34Å; F541-Q543 PolarHBondContact O-N 3.31Å; F541-L544 PolarHBondContact O-N 3.35Å; F541-L545 WeakPolarHBondContact O-CB 3.32Å; F541-L545 PolarHBondContact O-N 3.49Å; F541-F564 HydrophobicContact CB-CE2 4.14Å; F541-F564 HydrophobicContact CD2-CZ 4.25Å
542S94.1Very high92.1Very high59 Ų5953.2 Ų53.241%0.41328%0.276SS..Hα-helixtrans-63.1-40.6175-63.90000112E538 S539 L545 H546E538-S542 VanDerWaalsContact O-CB 3.3Å; E538-S542 WeakPolarHBondContact O-CB 3.42Å; E538-S542 PolarHBondContact O-N 3.05Å; E538-S542 PolarHBondContact O-OG 2.96Å; S539-S542 PolarHBondContact O-N 3.14Å; S542-L545 PolarHBondContact O-N 2.87Å; S542-H546 WeakPolarHBondContact O-CB 3.32Å; S542-H546 PolarHBondContact O-N 3.36Å
543Q93.7Very high92.1Very high80 Ų8054.6 Ų54.637%0.37428%0.283SS..Hα-helixtrans-63.1-44.8174.8-68.7168.836.200111.7S539 Q540 F541 H546 Q547S539-Q543 WeakPolarHBondContact O-CG 3.46Å; S539-Q543 PolarHBondContact O-N 3.13Å; S539-Q543 VanDerWaalsContact O-N 3.08Å; S539-Q543 PolarHBondContact OG-NE2 3.29Å; Q540-Q543 PolarHBondContact O-N 3.42Å; F541-Q543 VanDerWaalsContact C-N 3.34Å; F541-Q543 PolarHBondContact O-N 3.31Å; Q543-H546 PolarHBondContact O-N 2.88Å; Q543-Q547 WeakPolarHBondContact O-CG 3.39Å; Q543-Q547 PolarHBondContact O-N 3.37Å
544L94.6Very high92Very high4 Ų451 Ų512%0.02127%0.267CS..Hα-helixtrans-58.4-49.4175.8176.363.5000111.2L354 Q540 F541 H546 Q547 I548 A560 H561 F564L354-L544 HydrophobicContact CD2-CD2 4.29Å; Q540-L544 PolarHBondContact O-N 3.49Å; F541-L544 PolarHBondContact O-N 3.35Å; L544-H546 VanDerWaalsContact C-N 3.31Å; L544-H546 PolarHBondContact O-N 3.2Å; L544-Q547 PolarHBondContact O-N 2.89Å; L544-I548 HydrophobicContact CD1-CD1 3.79Å; L544-I548 HydrophobicContact CD1-CG1 4.11Å; L544-I548 HydrophobicContact CD2-CD1 4.46Å; L544-I548 HydrophobicContact CG-CD1 3.8Å; L544-I548 HydrophobicContact CG-CG1 4.45Å; L544-I548 WeakPolarHBondContact O-CG1 3.48Å; L544-I548 PolarHBondContact O-N 3.45Å; L544-A560 HydrophobicContact CD1-CB 4.01Å; L544-H561 HydrophobicContact CD1-CB 4.24Å; L544-F564 HydrophobicContact CB-CB 4.26Å; L544-F564 HydrophobicContact CB-CD2 4.12Å; L544-F564 HydrophobicContact CB-CG 4.22Å; L544-F564 HydrophobicContact CD1-CB 4.23Å; L544-F564 HydrophobicContact CD2-CB 4.18Å; L544-F564 HydrophobicContact CD2-CD1 3.81Å; L544-F564 HydrophobicContact CD2-CD2 4.26Å; L544-F564 HydrophobicContact CD2-CE1 4.27Å; L544-F564 HydrophobicContact CD2-CG 3.81Å; L544-F564 HydrophobicContact CG-CB 4.45Å; L544-F564 HydrophobicContact CG-CG 4.47Å
545L94.1Very high91.8Very high64 Ų6451.5 Ų51.534%0.33527%0.265SS..Hα-helixtrans-61.5-40-179.9-175.960.8000111.8L351 F541 S542 N549L351-L545 HydrophobicContact CD1-CD1 4.32Å; L351-L545 HydrophobicContact CD2-CD1 3.41Å; L351-L545 VanDerWaalsContact CD2-CD1 3.41Å; L351-L545 HydrophobicContact CG-CD1 4.4Å; F541-L545 WeakPolarHBondContact O-CB 3.32Å; F541-L545 PolarHBondContact O-N 3.49Å; S542-L545 PolarHBondContact O-N 2.87Å; L545-N549 WeakPolarHBondContact O-CB 3.29Å; L545-N549 VanDerWaalsContact O-CG 3.31Å; L545-N549 PolarHBondContact O-N 3.41Å; L545-N549 VanDerWaalsContact O-N 3.13Å; L545-N549 PolarHBondContact O-ND2 2.91Å
546H94Very high91.9Very high138 Ų13852.1 Ų52.164%0.63927%0.272SS*.Hα-helixtrans-62.7-46.1175.4-175.667.5000111.7S542 Q543 L544 N549 S550S542-H546 WeakPolarHBondContact O-CB 3.32Å; S542-H546 PolarHBondContact O-N 3.36Å; Q543-H546 PolarHBondContact O-N 2.88Å; L544-H546 VanDerWaalsContact C-N 3.31Å; L544-H546 PolarHBondContact O-N 3.2Å; H546-N549 PolarHBondContact O-N 2.84Å; H546-S550 WeakPolarHBondContact O-CB 3.33Å; H546-S550 PolarHBondContact O-N 3.44Å; H546-S550 PolarHBondContact O-OG 2.96Å
547Q92.5Very high91.9Very high79 Ų7952 Ų5237%0.36927%0.271SS..Hα-helixtrans-62.3-45.9178.9-73.6180-7.100112Q543 L544 N549 S550 T551 A560Q543-Q547 WeakPolarHBondContact O-CG 3.39Å; Q543-Q547 PolarHBondContact O-N 3.37Å; L544-Q547 PolarHBondContact O-N 2.89Å; Q547-N549 VanDerWaalsContact C-N 3.31Å; Q547-N549 PolarHBondContact O-N 3.03Å; Q547-S550 WeakPolarHBondContact CA-OG 3.23Å; Q547-S550 PolarHBondContact O-N 3.43Å; Q547-S550 VanDerWaalsContact O-N 3.11Å; Q547-S550 PolarHBondContact O-OG 3.39Å; Q547-T551 WeakPolarHBondContact O-CG2 3.19Å; Q547-T551 PolarHBondContact O-N 3.12Å; Q547-A560 HydrophobicContact CB-CB 4.13Å
548I91.5Very high91.7Very high0 Ų055.4 Ų55.40%028%0.283CS..Hα-helixtrans-59.3-42.1178.2-68.4174.2000111.5L351 L354 L544 S550 I557L351-I548 HydrophobicContact CD2-CG2 3.84Å; L354-I548 HydrophobicContact CD1-CD1 3.33Å; L544-I548 HydrophobicContact CD1-CD1 3.79Å; L544-I548 HydrophobicContact CD1-CG1 4.11Å; L544-I548 HydrophobicContact CD2-CD1 4.46Å; L544-I548 HydrophobicContact CG-CD1 3.8Å; L544-I548 HydrophobicContact CG-CG1 4.45Å; L544-I548 WeakPolarHBondContact O-CG1 3.48Å; L544-I548 PolarHBondContact O-N 3.45Å; I548-S550 VanDerWaalsContact C-N 3.32Å; I548-S550 PolarHBondContact O-N 3.35Å; I548-I557 HydrophobicContact CD1-CG2 4.35Å; I548-I557 HydrophobicContact CG1-CG1 4.19Å; I548-I557 HydrophobicContact CG1-CG2 4.14Å; I548-I557 HydrophobicContact CG2-CD1 3.94Å; I548-I557 HydrophobicContact CG2-CG1 4.39Å
549N90.7Very high91.6Very high96 Ų9656.6 Ų56.651%0.51329%0.292SS..Hα-helixtrans-74.4-21.1179-71.6-40.3000113.5L545 H546 Q547L545-N549 WeakPolarHBondContact O-CB 3.29Å; L545-N549 VanDerWaalsContact O-CG 3.31Å; L545-N549 PolarHBondContact O-N 3.41Å; L545-N549 VanDerWaalsContact O-N 3.13Å; L545-N549 PolarHBondContact O-ND2 2.91Å; H546-N549 PolarHBondContact O-N 2.84Å; Q547-N549 VanDerWaalsContact C-N 3.31Å; Q547-N549 PolarHBondContact O-N 3.03Å
550S92.8Very high91.7Very high84 Ų8454.7 Ų54.759%0.58728%0.279SS*.Hα-helixtrans-90.1-15.3-177.871.90000114.5H546 Q547 I548H546-S550 WeakPolarHBondContact O-CB 3.33Å; H546-S550 PolarHBondContact O-N 3.44Å; H546-S550 PolarHBondContact O-OG 2.96Å; Q547-S550 WeakPolarHBondContact CA-OG 3.23Å; Q547-S550 PolarHBondContact O-N 3.43Å; Q547-S550 VanDerWaalsContact O-N 3.11Å; Q547-S550 PolarHBondContact O-OG 3.39Å; I548-S550 VanDerWaalsContact C-N 3.32Å; I548-S550 PolarHBondContact O-N 3.35Å
551T91.9Very high91.7Very high27 Ų2754.3 Ų54.317%0.16628%0.277CS..  trans-112.5155.3-177.2-167.90000111.8W341 Q547 D553 I557W341-T551 PolarHBondContact NE1-O 3.25Å; Q547-T551 WeakPolarHBondContact O-CG2 3.19Å; Q547-T551 PolarHBondContact O-N 3.12Å; T551-D553 PolarHBondContact OG1-N 3.01Å; T551-I557 HydrophobicContact CG2-CG1 3.77Å
552R90.6Very high91.5Very high136 Ų13655.9 Ų55.951%0.51329%0.287SS..  trans-118.817.4168.5-54.7-166.787157.68.1112.5E338 W341 E346E338-R552 WeakPolarHBondContact CA-O 3.29Å; W341-R552 HydrophobicContact CD2-CB 4.24Å; W341-R552 HydrophobicContact CE3-CB 4.42Å; W341-R552 HydrophobicContact CH2-CG 4.43Å; W341-R552 HydrophobicContact CZ2-CG 4.31Å; E346-R552 IonicContact OE1-NH2 3.85Å
553D89.9Confident91.4Very high31 Ų3157.8 Ų57.817%0.16629%0.289CS..  trans-109.4121.2177.6-172.4-23.2000109.2R333 A337 T551 E555 S556 I557R333-D553 IonicContact CZ-OD2 2.61Å; R333-D553 IonicContact NH1-OD1 3.09Å; R333-D553 IonicContact NH1-OD2 3.93Å; R333-D553 PolarHBondContact NH1-OD2 3.17Å; R333-D553 IonicContact NH2-OD2 3.02Å; R333-D553 PolarHBondContact NH2-OD2 3.25Å; A337-D553 WeakPolarHBondContact CB-OD1 3.47Å; T551-D553 PolarHBondContact OG1-N 3.01Å; D553-E555 VanDerWaalsContact C-N 3.3Å; D553-E555 PolarHBondContact O-N 2.85Å; D553-E555 WeakPolarHBondContact OD1-CB 3.35Å; D553-E555 PolarHBondContact OD1-N 3.5Å; D553-S556 WeakPolarHBondContact O-CB 3.44Å; D553-S556 PolarHBondContact O-N 2.88Å; D553-I557 PolarHBondContact O-N 2.88Å
554F88.1Confident91.4Very high0 Ų054.1 Ų54.10%027%0.272CS..Hα-helixtrans-60.8-36.5177.7172-111.4000113.2F278 A337 L340 W341 M344 I465 S556 I557 R558F278-F554 HydrophobicContact CE2-CD1 4.09Å; F278-F554 HydrophobicContact CE2-CE1 4.38Å; F278-F554 HydrophobicContact CZ-CD1 4.18Å; A337-F554 WeakPolarHBondContact O-CB 3.19Å; A337-F554 PolarHBondContact O-N 3.04Å; L340-F554 HydrophobicContact CB-CB 3.69Å; L340-F554 HydrophobicContact CB-CD1 4.12Å; L340-F554 HydrophobicContact CB-CG 3.85Å; L340-F554 HydrophobicContact CD1-CB 4.41Å; L340-F554 HydrophobicContact CD1-CD1 3.62Å; L340-F554 HydrophobicContact CD1-CE1 4.29Å; L340-F554 HydrophobicContact CD1-CG 4.21Å; L340-F554 HydrophobicContact CG-CD1 4.48Å; W341-F554 HydrophobicContact CB-CB 4.42Å; M344-F554 HydrophobicContact CE-CD2 4.23Å; M344-F554 HydrophobicContact CE-CE2 3.49Å; M344-F554 VanDerWaalsContact CE-CE2 3.49Å; M344-F554 HydrophobicContact CE-CZ 4.21Å; M344-F554 HydrophobicContact SD-CD2 3.41Å; M344-F554 WeakPolarHBondContact SD-CD2 3.37Å; M344-F554 HydrophobicContact SD-CE2 3.07Å; M344-F554 WeakPolarHBondContact SD-CE2 3.41Å; M344-F554 HydrophobicContact SD-CG 4.35Å; M344-F554 HydrophobicContact SD-CZ 3.74Å; I465-F554 HydrophobicContact CB-CZ 4.1Å; I465-F554 HydrophobicContact CG2-CE1 3.66Å; I465-F554 HydrophobicContact CG2-CZ 3.52Å; F554-S556 VanDerWaalsContact C-N 3.27Å; F554-S556 PolarHBondContact O-N 3.33Å; F554-I557 WeakPolarHBondContact O-CB 3.32Å; F554-I557 PolarHBondContact O-N 3.02Å; F554-I557 VanDerWaalsContact O-N 3.09Å; F554-R558 PolarHBondContact O-N 2.78Å
555E85.9Confident91.3Very high70 Ų7054.1 Ų54.133%0.32727%0.272SS..Hα-helixtrans-66-35.9179.3-173.8169.4-133.300110.9R333 D553 I557 R558 L559R333-E555 IonicContact NH1-OE2 2.81Å; R333-E555 PolarHBondContact NH1-OE2 3.4Å; R333-E555 VanDerWaalsContact NH1-OE2 3.16Å; D553-E555 VanDerWaalsContact C-N 3.3Å; D553-E555 PolarHBondContact O-N 2.85Å; D553-E555 WeakPolarHBondContact OD1-CB 3.35Å; D553-E555 PolarHBondContact OD1-N 3.5Å; E555-I557 VanDerWaalsContact C-N 3.32Å; E555-I557 PolarHBondContact O-N 2.8Å; E555-R558 PolarHBondContact O-N 2.81Å; E555-L559 HydrophobicContact CG-CD1 4.38Å; E555-L559 WeakPolarHBondContact O-CB 3.3Å; E555-L559 WeakPolarHBondContact O-CG 3.43Å; E555-L559 PolarHBondContact O-N 2.97Å
556S89.5Confident91.1Very high49 Ų4954 Ų5434%0.34328%0.276SS..Hα-helixtrans-63-38.2172.2-63.60000112.1D553 F554 A560D553-S556 WeakPolarHBondContact O-CB 3.44Å; D553-S556 PolarHBondContact O-N 2.88Å; F554-S556 VanDerWaalsContact C-N 3.27Å; F554-S556 PolarHBondContact O-N 3.33Å; S556-A560 WeakPolarHBondContact O-CB 3.31Å; S556-A560 PolarHBondContact O-N 2.95Å
557I91.6Very high90.9Very high0 Ų049 Ų490%025%0.254CS..Hα-helixtrans-63.5-46.6173.4-69-176.7000110.8W341 V345 L350 L466 I548 T551 D553 F554 E555 L559 A560 H561W341-I557 HydrophobicContact CG-CD1 4.4Å; V345-I557 HydrophobicContact CG2-CD1 3.75Å; L350-I557 HydrophobicContact CD2-CD1 4.32Å; L350-I557 HydrophobicContact CD2-CG2 3.95Å; L466-I557 HydrophobicContact CD2-CG2 4.4Å; I548-I557 HydrophobicContact CD1-CG2 4.35Å; I548-I557 HydrophobicContact CG1-CG1 4.19Å; I548-I557 HydrophobicContact CG1-CG2 4.14Å; I548-I557 HydrophobicContact CG2-CD1 3.94Å; I548-I557 HydrophobicContact CG2-CG1 4.39Å; T551-I557 HydrophobicContact CG2-CG1 3.77Å; D553-I557 PolarHBondContact O-N 2.88Å; F554-I557 WeakPolarHBondContact O-CB 3.32Å; F554-I557 PolarHBondContact O-N 3.02Å; F554-I557 VanDerWaalsContact O-N 3.09Å; E555-I557 VanDerWaalsContact C-N 3.32Å; E555-I557 PolarHBondContact O-N 2.8Å; I557-L559 PolarHBondContact O-N 3.34Å; I557-A560 PolarHBondContact O-N 3.2Å; I557-H561 WeakPolarHBondContact O-CB 3.3Å; I557-H561 PolarHBondContact O-N 3.24Å
558R89.1Confident90.7Very high80 Ų8045.2 Ų45.230%0.30224%0.237SC..Hα-helixtrans-59.1-48.5178.9-178.3-178.5175.8160.94.6111.2L466 F554 E555 H561 D562L466-R558 HydrophobicContact CD1-CB 4.24Å; L466-R558 HydrophobicContact CD1-CG 4.38Å; F554-R558 PolarHBondContact O-N 2.78Å; E555-R558 PolarHBondContact O-N 2.81Å; R558-H561 PolarHBondContact O-N 3.14Å; R558-D562 PolarHBondContact O-N 2.74Å
559L89.9Confident90.6Very high111 Ų11145.7 Ų45.758%0.58124%0.239SC*.Hα-helixtrans-63.8-41.8177.7-70.3173.7000112.4E555 I557 H561 D562 H563E555-L559 HydrophobicContact CG-CD1 4.38Å; E555-L559 WeakPolarHBondContact O-CB 3.3Å; E555-L559 WeakPolarHBondContact O-CG 3.43Å; E555-L559 PolarHBondContact O-N 2.97Å; I557-L559 PolarHBondContact O-N 3.34Å; L559-H561 VanDerWaalsContact C-N 3.32Å; L559-H561 PolarHBondContact O-N 3.18Å; L559-D562 PolarHBondContact O-N 3.21Å; L559-H563 WeakPolarHBondContact O-CB 3.44Å; L559-H563 PolarHBondContact O-N 3.05Å
560A92.4Very high90.4Very high8 Ų843 Ų437%0.06623%0.23CC..Hα-helixtrans-59.5-43.2174.700000111.7L544 Q547 S556 I557 H563 F564L544-A560 HydrophobicContact CD1-CB 4.01Å; Q547-A560 HydrophobicContact CB-CB 4.13Å; S556-A560 WeakPolarHBondContact O-CB 3.31Å; S556-A560 PolarHBondContact O-N 2.95Å; I557-A560 PolarHBondContact O-N 3.2Å; A560-H563 PolarHBondContact O-N 3.47Å; A560-F564 WeakPolarHBondContact O-CB 3.38Å; A560-F564 PolarHBondContact O-N 2.94Å
561H94.3Very high90.1Very high1 Ų140.1 Ų40.11%0.00521%0.208CC..Hα-helixtrans-67.2-43.4177.2176.3-84.1000112.5L466 F467 V471 Y475 L544 I557 R558 L559 H563 F564 L565L466-H561 HydrophobicContact CD1-CB 3.88Å; F467-H561 AromaticContact CE1-NE2 3.96Å; V471-H561 VanDerWaalsContact CG1-CE1 3.48Å; V471-H561 WeakPolarHBondContact CG1-CE1 3.48Å; Y475-H561 AromaticContact CE2-CE1 3.84Å; Y475-H561 AromaticContact CE2-NE2 3.54Å; Y475-H561 AromaticContact CZ-NE2 3.56Å; Y475-H561 PolarHBondContact OH-NE2 2.87Å; L544-H561 HydrophobicContact CD1-CB 4.24Å; I557-H561 WeakPolarHBondContact O-CB 3.3Å; I557-H561 PolarHBondContact O-N 3.24Å; R558-H561 PolarHBondContact O-N 3.14Å; L559-H561 VanDerWaalsContact C-N 3.32Å; L559-H561 PolarHBondContact O-N 3.18Å; H561-H563 VanDerWaalsContact C-N 3.33Å; H561-H563 PolarHBondContact O-N 3.21Å; H561-F564 WeakPolarHBondContact O-CB 3.3Å; H561-F564 PolarHBondContact O-N 3.5Å; H561-L565 PolarHBondContact O-N 3.28Å
562D90.1Very high89.8Confident57 Ų5738.9 Ų38.931%0.30520%0.2SC..Hα-helixtrans-62-43.2175.8-72.8-18.4000110.8R558 L559 L565 S566R558-D562 PolarHBondContact O-N 2.74Å; L559-D562 PolarHBondContact O-N 3.21Å; D562-L565 PolarHBondContact O-N 2.84Å; D562-S566 WeakPolarHBondContact O-CB 3.32Å; D562-S566 PolarHBondContact O-N 2.98Å; D562-S566 PolarHBondContact O-OG 2.93Å
563H91.6Very high89.6Confident98 Ų9832.4 Ų32.445%0.45418%0.175SC..Hα-helixtrans-62.8-43.4174.3-174.364000112.3L559 A560 H561 L565 S566 N567L559-H563 WeakPolarHBondContact O-CB 3.44Å; L559-H563 PolarHBondContact O-N 3.05Å; A560-H563 PolarHBondContact O-N 3.47Å; H561-H563 VanDerWaalsContact C-N 3.33Å; H561-H563 PolarHBondContact O-N 3.21Å; H563-L565 PolarHBondContact O-N 3.47Å; H563-S566 PolarHBondContact O-N 3.07Å; H563-N567 PolarHBondContact CD2-ND2 3.35Å; H563-N567 PolarHBondContact CE1-ND2 3.42Å; H563-N567 VanDerWaalsContact CE1-ND2 3.28Å; H563-N567 PolarHBondContact CE1-OD1 3.49Å; H563-N567 PolarHBondContact NE2-ND2 3.41Å; H563-N567 WeakPolarHBondContact O-CB 3.35Å; H563-N567 PolarHBondContact O-N 3.22Å; H563-N567 PolarHBondContact O-OD1 2.95Å
564F94.3Very high89.2Confident4 Ų431.9 Ų31.92%0.01817%0.172CC..Hα-helixtrans-55.2-49.9174.5163.1-100.8000111.6L362 Y475 Q540 F541 L544 A560 H561 N567 L568L362-F564 HydrophobicContact CD1-CZ 3.97Å; Y475-F564 HydrophobicContact CE1-CE1 4.12Å; Y475-F564 WeakPolarHBondContact OH-CE1 3.27Å; Q540-F564 HydrophobicContact CB-CD2 3.7Å; Q540-F564 HydrophobicContact CB-CE2 3.7Å; Q540-F564 WeakPolarHBondContact O-CD2 3.44Å; F541-F564 HydrophobicContact CB-CE2 4.14Å; F541-F564 HydrophobicContact CD2-CZ 4.25Å; L544-F564 HydrophobicContact CB-CB 4.26Å; L544-F564 HydrophobicContact CB-CD2 4.12Å; L544-F564 HydrophobicContact CB-CG 4.22Å; L544-F564 HydrophobicContact CD1-CB 4.23Å; L544-F564 HydrophobicContact CD2-CB 4.18Å; L544-F564 HydrophobicContact CD2-CD1 3.81Å; L544-F564 HydrophobicContact CD2-CD2 4.26Å; L544-F564 HydrophobicContact CD2-CE1 4.27Å; L544-F564 HydrophobicContact CD2-CG 3.81Å; L544-F564 HydrophobicContact CG-CB 4.45Å; L544-F564 HydrophobicContact CG-CG 4.47Å; A560-F564 WeakPolarHBondContact O-CB 3.38Å; A560-F564 PolarHBondContact O-N 2.94Å; H561-F564 WeakPolarHBondContact O-CB 3.3Å; H561-F564 PolarHBondContact O-N 3.5Å; F564-N567 PolarHBondContact O-N 3.45Å; F564-L568 HydrophobicContact CE1-CD2 4.32Å; F564-L568 HydrophobicContact CZ-CD2 4.11Å; F564-L568 VanDerWaalsContact O-CB 3.3Å; F564-L568 WeakPolarHBondContact O-CB 3.46Å; F564-L568 PolarHBondContact O-N 2.95Å
565L92.3Very high88.7Confident3 Ų336.5 Ų36.52%0.01620%0.196CC..Hα-helixtrans-70-39.8-176.9-172.455.3000112.3V471 K474 Y475 H561 D562 H563 L568 L569V471-L565 HydrophobicContact CG1-CD2 4.09Å; K474-L565 HydrophobicContact CB-CD1 4.22Å; K474-L565 HydrophobicContact CB-CD2 3.65Å; K474-L565 HydrophobicContact CB-CG 4.05Å; K474-L565 HydrophobicContact CD-CD2 3.81Å; K474-L565 HydrophobicContact CD-CG 4.29Å; K474-L565 HydrophobicContact CG-CD2 4.4Å; Y475-L565 HydrophobicContact CD1-CD1 4.01Å; Y475-L565 HydrophobicContact CD2-CD1 4.43Å; Y475-L565 HydrophobicContact CD2-CD2 4.33Å; Y475-L565 HydrophobicContact CE1-CD1 3.9Å; Y475-L565 HydrophobicContact CE2-CD1 4.34Å; Y475-L565 HydrophobicContact CE2-CD2 4.12Å; Y475-L565 HydrophobicContact CG-CD1 4.27Å; H561-L565 PolarHBondContact O-N 3.28Å; D562-L565 PolarHBondContact O-N 2.84Å; H563-L565 PolarHBondContact O-N 3.47Å; L565-L568 HydrophobicContact CD1-CD2 4.45Å; L565-L568 PolarHBondContact O-N 3.46Å; L565-L569 WeakPolarHBondContact O-CG 3.08Å; L565-L569 PolarHBondContact O-N 3.24Å
566S90.1Very high88.6Confident61 Ų6136.1 Ų36.143%0.42720%0.196SC..Hα-helixtrans-61.2-45.5173.1-75.10000112D562 H563 L568 L569 A570D562-S566 WeakPolarHBondContact O-CB 3.32Å; D562-S566 PolarHBondContact O-N 2.98Å; D562-S566 PolarHBondContact O-OG 2.93Å; H563-S566 PolarHBondContact O-N 3.07Å; S566-L568 VanDerWaalsContact C-N 3.33Å; S566-L569 PolarHBondContact O-N 2.9Å; S566-A570 WeakPolarHBondContact O-CB 3.45Å; S566-A570 PolarHBondContact O-N 2.88Å
567N88.9Confident88.2Confident34 Ų3438.5 Ų38.518%0.18220%0.2CC..Hα-helixtrans-64.9-39.9176.2-70.7-6.1000111.2Q540 H563 F564 L569 A570 Q571Q540-N567 PolarHBondContact NE2-ND2 3.49Å; Q540-N567 VanDerWaalsContact NE2-ND2 3.17Å; H563-N567 PolarHBondContact CD2-ND2 3.35Å; H563-N567 PolarHBondContact CE1-ND2 3.42Å; H563-N567 VanDerWaalsContact CE1-ND2 3.28Å; H563-N567 PolarHBondContact CE1-OD1 3.49Å; H563-N567 PolarHBondContact NE2-ND2 3.41Å; H563-N567 WeakPolarHBondContact O-CB 3.35Å; H563-N567 PolarHBondContact O-N 3.22Å; H563-N567 PolarHBondContact O-OD1 2.95Å; F564-N567 PolarHBondContact O-N 3.45Å; N567-L569 PolarHBondContact O-N 3.37Å; N567-A570 PolarHBondContact O-N 3.35Å; N567-Q571 WeakPolarHBondContact O-CB 3.45Å; N567-Q571 VanDerWaalsContact O-CG 3.28Å; N567-Q571 WeakPolarHBondContact O-CG 3.42Å; N567-Q571 PolarHBondContact O-N 3.09Å
568L90.3Very high87.9Confident0 Ų042.6 Ų42.60%023%0.227CC..Hα-helixtrans-59.5-46.417817956.3000111.8L362 V478 V536 L537 F564 L565 S566 S572L362-L568 HydrophobicContact CD1-CD2 4.12Å; L362-L568 HydrophobicContact CD2-CD2 3.65Å; V478-L568 HydrophobicContact CG1-CD2 4.1Å; V478-L568 HydrophobicContact CG1-CG 4.25Å; V478-L568 HydrophobicContact CG2-CD2 4.26Å; V478-L568 HydrophobicContact CG2-CG 4.22Å; V536-L568 HydrophobicContact CG1-CD1 3.75Å; L537-L568 HydrophobicContact CD2-CD1 3.37Å; L537-L568 HydrophobicContact CD2-CD2 4.06Å; L537-L568 HydrophobicContact CD2-CG 4.36Å; L537-L568 HydrophobicContact CG-CD1 4.12Å; F564-L568 HydrophobicContact CE1-CD2 4.32Å; F564-L568 HydrophobicContact CZ-CD2 4.11Å; F564-L568 VanDerWaalsContact O-CB 3.3Å; F564-L568 WeakPolarHBondContact O-CB 3.46Å; F564-L568 PolarHBondContact O-N 2.95Å; L565-L568 HydrophobicContact CD1-CD2 4.45Å; L565-L568 PolarHBondContact O-N 3.46Å; S566-L568 VanDerWaalsContact C-N 3.33Å; L568-S572 WeakPolarHBondContact O-CB 3.31Å; L568-S572 PolarHBondContact O-N 2.87Å; L568-S572 PolarHBondContact O-OG 3.23Å
569L88.1Confident87.7Confident10 Ų1039 Ų395%0.05221%0.214CC..Hα-helixtrans-63.9-41.9176.2-72.7166.6000112.2K474 V477 V478 L565 S566 N567 I574 L575K474-L569 HydrophobicContact CB-CD1 4.3Å; K474-L569 HydrophobicContact CD-CD1 4.42Å; K474-L569 HydrophobicContact CG-CD1 4.28Å; V477-L569 HydrophobicContact CG1-CD2 4.47Å; V478-L569 HydrophobicContact CG2-CD2 3.53Å; V478-L569 HydrophobicContact CG2-CG 4.16Å; L565-L569 WeakPolarHBondContact O-CG 3.08Å; L565-L569 PolarHBondContact O-N 3.24Å; S566-L569 PolarHBondContact O-N 2.9Å; N567-L569 PolarHBondContact O-N 3.37Å; L569-I574 HydrophobicContact CD2-CD1 4.09Å; L569-I574 HydrophobicContact CD2-CG2 4.5Å; L569-I574 PolarHBondContact O-N 2.71Å; L569-L575 HydrophobicContact CB-CD1 4.1Å; L569-L575 HydrophobicContact CB-CD2 4.34Å; L569-L575 HydrophobicContact CB-CG 4.09Å
570A86.1Confident87.6Confident40 Ų4036.5 Ų36.533%0.33120%0.198SC..Hα-helixtrans-68.6-49.9-179.900000112.5S566 N567 S572 F573 L575S566-A570 WeakPolarHBondContact O-CB 3.45Å; S566-A570 PolarHBondContact O-N 2.88Å; N567-A570 PolarHBondContact O-N 3.35Å; A570-S572 VanDerWaalsContact C-N 3.33Å; A570-S572 PolarHBondContact O-N 2.9Å; A570-F573 WeakPolarHBondContact O-CA 3.4Å; A570-F573 PolarHBondContact O-N 3.34Å; A570-L575 HydrophobicContact CB-CD1 4.06Å
571Q86.6Confident87.4Confident23 Ų2340.5 Ų40.511%0.10722%0.216CC..Hα-helixtrans-73.2-23.6-177-68.2-177.7-8.100113.1Y531 V536 Q540 N567 F573 D641Y531-Q571 WeakPolarHBondContact CE1-O 3.47Å; Y531-Q571 PolarHBondContact OH-O 3.49Å; V536-Q571 HydrophobicContact CB-CB 4.4Å; V536-Q571 HydrophobicContact CG1-CB 3.63Å; V536-Q571 HydrophobicContact CG2-CB 3.91Å; Q540-Q571 VanDerWaalsContact CG-OE1 3.31Å; N567-Q571 WeakPolarHBondContact O-CB 3.45Å; N567-Q571 VanDerWaalsContact O-CG 3.28Å; N567-Q571 WeakPolarHBondContact O-CG 3.42Å; N567-Q571 PolarHBondContact O-N 3.09Å; Q571-F573 PolarHBondContact O-N 2.89Å; Q571-D641 HydrophobicContact CG-CB 4.28Å; Q571-D641 WeakPolarHBondContact CG-OD2 3.23Å; Q571-D641 PolarHBondContact NE2-OD2 3.46Å
572S86.8Confident87.2Confident0 Ų040.5 Ų40.50%022%0.216CC..THydrogen-bonded Turntrans-771.6168-55.70000113.1L568 A570 I574L568-S572 WeakPolarHBondContact O-CB 3.31Å; L568-S572 PolarHBondContact O-N 2.87Å; L568-S572 PolarHBondContact O-OG 3.23Å; A570-S572 VanDerWaalsContact C-N 3.33Å; A570-S572 PolarHBondContact O-N 2.9Å; S572-I574 PolarHBondContact O-N 2.93Å; S572-I574 VanDerWaalsContact O-N 3.17Å
573F85.3Confident87.2Confident0 Ų037.9 Ų37.90%020%0.202CC..THydrogen-bonded Turntrans62.814.3179.5-46.8-51.9000115.6Y531 A570 Q571 L575 L576 V579 F580 L583 L642 L645Y531-F573 HydrophobicContact CD1-CE2 4.09Å; Y531-F573 HydrophobicContact CE1-CD2 4.24Å; Y531-F573 AromaticContact CE1-CE2 3.31Å; Y531-F573 HydrophobicContact CE1-CE2 3.31Å; Y531-F573 AromaticContact CE1-CZ 3.62Å; Y531-F573 HydrophobicContact CE1-CZ 3.62Å; Y531-F573 AromaticContact CZ-CE2 3.76Å; Y531-F573 AromaticContact CZ-CZ 3.54Å; Y531-F573 WeakPolarHBondContact OH-CZ 3.45Å; A570-F573 WeakPolarHBondContact O-CA 3.4Å; A570-F573 PolarHBondContact O-N 3.34Å; Q571-F573 PolarHBondContact O-N 2.89Å; F573-L575 VanDerWaalsContact C-N 3.3Å; F573-L575 PolarHBondContact O-N 3.48Å; F573-L576 HydrophobicContact CD1-CD1 4.02Å; F573-L576 PolarHBondContact O-N 2.95Å; F573-V579 HydrophobicContact CB-CB 4.33Å; F573-V579 HydrophobicContact CB-CG1 3.73Å; F573-V579 HydrophobicContact CD2-CG1 4.3Å; F573-V579 HydrophobicContact CG-CG1 4.02Å; F573-F580 WeakPolarHBondContact O-CB 3.36Å; F573-L583 HydrophobicContact CD2-CD1 4.41Å; F573-L642 HydrophobicContact CD1-CD2 3.49Å; F573-L642 VanDerWaalsContact CD1-CD2 3.49Å; F573-L642 HydrophobicContact CD1-CG 4.1Å; F573-L642 HydrophobicContact CE1-CB 4.43Å; F573-L642 HydrophobicContact CE1-CD2 3.15Å; F573-L642 HydrophobicContact CE1-CG 3.5Å; F573-L642 HydrophobicContact CE2-CD2 4.34Å; F573-L642 HydrophobicContact CG-CD2 4.2Å; F573-L642 HydrophobicContact CZ-CD2 3.62Å; F573-L642 HydrophobicContact CZ-CG 4.16Å; F573-L645 HydrophobicContact CD2-CD2 4.06Å; F573-L645 HydrophobicContact CE2-CB 4.06Å; F573-L645 HydrophobicContact CE2-CD2 3.38Å; F573-L645 HydrophobicContact CE2-CG 4.24Å; F573-L645 HydrophobicContact CZ-CB 4.09Å; F573-L645 HydrophobicContact CZ-CD2 4.13Å
574I82Confident87.1Confident20 Ų2035.1 Ų35.110%0.10319%0.19CC..THydrogen-bonded Turntrans-65.3-37.8179.6-62.3169.1000110.3V477 V478 Y481 L569 S572 L576 F580V477-I574 HydrophobicContact CG1-CG2 4.02Å; V478-I574 HydrophobicContact CG2-CD1 4.13Å; Y481-I574 HydrophobicContact CD1-CD1 3.98Å; Y481-I574 HydrophobicContact CD1-CG1 4.05Å; Y481-I574 HydrophobicContact CE1-CG1 4.46Å; Y481-I574 HydrophobicContact CG-CD1 4.28Å; Y481-I574 HydrophobicContact CG-CG1 4.31Å; L569-I574 HydrophobicContact CD2-CD1 4.09Å; L569-I574 HydrophobicContact CD2-CG2 4.5Å; L569-I574 PolarHBondContact O-N 2.71Å; S572-I574 PolarHBondContact O-N 2.93Å; S572-I574 VanDerWaalsContact O-N 3.17Å; I574-L576 VanDerWaalsContact C-N 3.32Å; I574-L576 PolarHBondContact O-N 3.47Å; I574-F580 HydrophobicContact CB-CD2 4.46Å; I574-F580 HydrophobicContact CB-CE2 4.47Å; I574-F580 HydrophobicContact CG1-CD2 4.37Å; I574-F580 HydrophobicContact CG1-CE2 4.15Å; I574-F580 HydrophobicContact CG2-CE2 4.34Å
575L78.4Confident87Confident97 Ų9738.4 Ų38.451%0.50821%0.206SC..THydrogen-bonded Turntrans-75.9-17.8179.4-56.2-179000113.3L569 A570 F573 K577L569-L575 HydrophobicContact CB-CD1 4.1Å; L569-L575 HydrophobicContact CB-CD2 4.34Å; L569-L575 HydrophobicContact CB-CG 4.09Å; A570-L575 HydrophobicContact CB-CD1 4.06Å; F573-L575 VanDerWaalsContact C-N 3.3Å; F573-L575 PolarHBondContact O-N 3.48Å; L575-K577 PolarHBondContact O-N 3.26Å
576L82.4Confident87Confident62 Ų6238.3 Ų38.333%0.32521%0.205SC..  trans-92.185-178.4-74.9170.3000110.8F573 I574 P578 V579 F580 L642F573-L576 HydrophobicContact CD1-CD1 4.02Å; F573-L576 PolarHBondContact O-N 2.95Å; I574-L576 VanDerWaalsContact C-N 3.32Å; I574-L576 PolarHBondContact O-N 3.47Å; L576-P578 VanDerWaalsContact C-CD 3.45Å; L576-P578 VanDerWaalsContact O-N 3.08Å; L576-V579 HydrophobicContact CB-CB 4.2Å; L576-V579 HydrophobicContact CB-CG2 4.37Å; L576-V579 PolarHBondContact O-N 3.04Å; L576-F580 PolarHBondContact O-N 3.47Å; L576-L642 HydrophobicContact CD1-CD1 3.75Å; L576-L642 HydrophobicContact CD1-CD2 4.31Å; L576-L642 HydrophobicContact CD1-CG 4.37Å
577K82.1Confident87.1Confident99 Ų9935.5 Ų35.543%0.4319%0.185SC..Hα-helixtrans-41.3-48.5-174.9-66.4-176.9-178.7170.90115.1E246 L575 V579 H581E246-K577 VanDerWaalsContact CD-CE 3.49Å; E246-K577 WeakPolarHBondContact OE1-CE 3.2Å; E246-K577 IonicContact OE1-NZ 3.81Å; E246-K577 PolarHBondContact OE1-NZ 3.4Å; E246-K577 IonicContact OE2-NZ 2.78Å; E246-K577 PolarHBondContact OE2-NZ 3.48Å; L575-K577 PolarHBondContact O-N 3.26Å; K577-V579 PolarHBondContact O-N 3.06Å; K577-H581 VanDerWaalsContact O-CB 3.25Å; K577-H581 WeakPolarHBondContact O-CB 3.39Å; K577-H581 PolarHBondContact O-N 3.44Å
578P85.6Confident87.2Confident86 Ų8637.9 Ų37.956%0.55820%0.198SC*.Hα-helixtrans-65.8-39-178.9-21.334.4000113.4L576 C582 I629L576-P578 VanDerWaalsContact C-CD 3.45Å; L576-P578 VanDerWaalsContact O-N 3.08Å; P578-C582 WeakPolarHBondContact O-CB 3.49Å; P578-C582 PolarHBondContact O-N 3.37Å; P578-C582 VanDerWaalsContact O-N 3.14Å; P578-I629 HydrophobicContact CB-CD1 4.38Å
579V85.2Confident87.4Confident4 Ų439.2 Ų39.22%0.02421%0.205CC..Hα-helixtrans-72.7-47.2178.5178.40000109.6F573 L576 K577 H581 C582 L583 L626 I629 L642F573-V579 HydrophobicContact CB-CB 4.33Å; F573-V579 HydrophobicContact CB-CG1 3.73Å; F573-V579 HydrophobicContact CD2-CG1 4.3Å; F573-V579 HydrophobicContact CG-CG1 4.02Å; L576-V579 HydrophobicContact CB-CB 4.2Å; L576-V579 HydrophobicContact CB-CG2 4.37Å; L576-V579 PolarHBondContact O-N 3.04Å; K577-V579 PolarHBondContact O-N 3.06Å; V579-H581 PolarHBondContact O-N 3.1Å; V579-C582 WeakPolarHBondContact O-CB 3.29Å; V579-C582 PolarHBondContact O-N 3.34Å; V579-C582 VanDerWaalsContact O-N 3.12Å; V579-L583 HydrophobicContact CG1-CD1 3.87Å; V579-L583 HydrophobicContact CG1-CG 4.27Å; V579-L583 WeakPolarHBondContact O-CG 3.47Å; V579-L583 PolarHBondContact O-N 3.02Å; V579-L626 HydrophobicContact CG1-CD1 4.14Å; V579-I629 HydrophobicContact CG2-CG2 3.66Å; V579-L642 HydrophobicContact CG2-CD2 4.41Å
580F87.1Confident87.6Confident59 Ų5938.7 Ų38.726%0.25920%0.203SC..Hα-helixtrans-58.8-49.5179.2-173-117.5000112.3Y481 F573 I574 L576 C582 L583 N584Y481-F580 AromaticContact CD2-CE2 3.68Å; Y481-F580 HydrophobicContact CD2-CE2 3.68Å; Y481-F580 HydrophobicContact CE2-CD2 4.31Å; Y481-F580 AromaticContact CE2-CE2 3.88Å; Y481-F580 HydrophobicContact CE2-CE2 3.88Å; Y481-F580 HydrophobicContact CG-CE2 4.33Å; F573-F580 WeakPolarHBondContact O-CB 3.36Å; I574-F580 HydrophobicContact CB-CD2 4.46Å; I574-F580 HydrophobicContact CB-CE2 4.47Å; I574-F580 HydrophobicContact CG1-CD2 4.37Å; I574-F580 HydrophobicContact CG1-CE2 4.15Å; I574-F580 HydrophobicContact CG2-CE2 4.34Å; L576-F580 PolarHBondContact O-N 3.47Å; F580-C582 VanDerWaalsContact C-N 3.27Å; F580-C582 PolarHBondContact O-N 2.9Å; F580-L583 PolarHBondContact O-N 2.98Å; F580-N584 WeakPolarHBondContact CD1-ND2 3.25Å; F580-N584 WeakPolarHBondContact CE1-ND2 3.47Å; F580-N584 WeakPolarHBondContact CZ-ND2 3.31Å; F580-N584 PolarHBondContact O-N 3.38Å; F580-N584 PolarHBondContact O-ND2 3.28Å
581H88.6Confident87.8Confident93 Ų9338 Ų3843%0.43119%0.192SC..Hα-helixtrans-58-43.7174.9176.755.7000110.8K577 V579 L583 N584 E585K577-H581 VanDerWaalsContact O-CB 3.25Å; K577-H581 WeakPolarHBondContact O-CB 3.39Å; K577-H581 PolarHBondContact O-N 3.44Å; V579-H581 PolarHBondContact O-N 3.1Å; H581-L583 PolarHBondContact O-N 3.42Å; H581-N584 PolarHBondContact O-N 3.31Å; H581-E585 IonicContact CE1-OE1 3.52Å; H581-E585 PolarHBondContact CE1-OE1 3.44Å; H581-E585 VanDerWaalsContact CE1-OE1 3.25Å; H581-E585 IonicContact ND1-OE1 3.83Å; H581-E585 VanDerWaalsContact O-CG 3.28Å; H581-E585 WeakPolarHBondContact O-CG 3.4Å; H581-E585 PolarHBondContact O-N 2.95Å
582C89.4Confident88Confident0 Ų039.9 Ų39.90%021%0.208CC..Hα-helixtrans-63.8-38.8179.4-179.80000113.7P578 V579 F580 I586 Q622 L626P578-C582 WeakPolarHBondContact O-CB 3.49Å; P578-C582 PolarHBondContact O-N 3.37Å; P578-C582 VanDerWaalsContact O-N 3.14Å; V579-C582 WeakPolarHBondContact O-CB 3.29Å; V579-C582 PolarHBondContact O-N 3.34Å; V579-C582 VanDerWaalsContact O-N 3.12Å; F580-C582 VanDerWaalsContact C-N 3.27Å; F580-C582 PolarHBondContact O-N 2.9Å; C582-I586 WeakPolarHBondContact O-CD1 3.4Å; C582-I586 VanDerWaalsContact O-CG1 3.32Å; C582-I586 WeakPolarHBondContact O-CG1 3.45Å; C582-I586 PolarHBondContact O-N 3.23Å; C582-Q622 VanDerWaalsContact CB-NE2 3.31Å; C582-Q622 WeakPolarHBondContact O-CG 3.27Å; C582-Q622 PolarHBondContact SG-NE2 3.08Å; C582-Q622 PolarHBondContact SG-O 2.83Å; C582-Q622 VanDerWaalsContact SG-O 3.42Å; C582-L626 VanDerWaalsContact SG-CB 3.58Å
583L90.3Very high88.3Confident2 Ų239.9 Ų39.91%0.0121%0.208CC..Hα-helixtrans-69.1-43.4176.5-69.7173.7000111.2Y481 L528 F573 V579 F580 H581 I586 L587 L626Y481-L583 WeakPolarHBondContact OH-CD1 3.3Å; L528-L583 HydrophobicContact CD1-CD1 4.26Å; L528-L583 HydrophobicContact CD1-CD2 4.32Å; L528-L583 HydrophobicContact CD2-CD2 4.03Å; F573-L583 HydrophobicContact CD2-CD1 4.41Å; V579-L583 HydrophobicContact CG1-CD1 3.87Å; V579-L583 HydrophobicContact CG1-CG 4.27Å; V579-L583 WeakPolarHBondContact O-CG 3.47Å; V579-L583 PolarHBondContact O-N 3.02Å; F580-L583 PolarHBondContact O-N 2.98Å; H581-L583 PolarHBondContact O-N 3.42Å; L583-I586 WeakPolarHBondContact O-CB 3.4Å; L583-I586 PolarHBondContact O-N 3.47Å; L583-I586 VanDerWaalsContact O-N 3.14Å; L583-L587 WeakPolarHBondContact O-CG 3.33Å; L583-L587 PolarHBondContact O-N 3Å; L583-L626 HydrophobicContact CD2-CD1 4.13Å; L583-L626 HydrophobicContact CD2-CD2 3.75Å; L583-L626 HydrophobicContact CG-CD1 4.4Å
584N89.8Confident88.5Confident41 Ų4140 Ų4022%0.21921%0.209CC..Hα-helixtrans-63-43.5177.2-72.4-31.2000112.1F580 H581 I586 L587 D588F580-N584 WeakPolarHBondContact CD1-ND2 3.25Å; F580-N584 WeakPolarHBondContact CE1-ND2 3.47Å; F580-N584 WeakPolarHBondContact CZ-ND2 3.31Å; F580-N584 PolarHBondContact O-N 3.38Å; F580-N584 PolarHBondContact O-ND2 3.28Å; H581-N584 PolarHBondContact O-N 3.31Å; N584-I586 VanDerWaalsContact C-N 3.25Å; N584-I586 PolarHBondContact O-N 2.85Å; N584-L587 WeakPolarHBondContact O-CB 3.4Å; N584-L587 PolarHBondContact O-N 3.39Å; N584-D588 PolarHBondContact O-N 3.42Å
585E91.6Very high88.8Confident72 Ų7241.8 Ų41.834%0.33622%0.223SC..Hα-helixtrans-59.2-37.2173.6-70.8-69.514600112H581 D588 L589 Q622H581-E585 IonicContact CE1-OE1 3.52Å; H581-E585 PolarHBondContact CE1-OE1 3.44Å; H581-E585 VanDerWaalsContact CE1-OE1 3.25Å; H581-E585 IonicContact ND1-OE1 3.83Å; H581-E585 VanDerWaalsContact O-CG 3.28Å; H581-E585 WeakPolarHBondContact O-CG 3.4Å; H581-E585 PolarHBondContact O-N 2.95Å; E585-D588 PolarHBondContact O-N 2.83Å; E585-L589 WeakPolarHBondContact O-CB 3.43Å; E585-L589 WeakPolarHBondContact O-CD1 3.34Å; E585-L589 WeakPolarHBondContact O-CG 3.26Å; E585-L589 PolarHBondContact O-N 3.29Å; E585-Q622 HydrophobicContact CB-CG 4.02Å
586I92.7Very high89.2Confident1 Ų137.7 Ų37.71%0.00520%0.202CC..Hα-helixtrans-63.3-46.5173.5-75.6164.3000110.8L524 C582 L583 N584 D588 L589 C590 F619 Q622 L626L524-I586 HydrophobicContact CD1-CD1 4.13Å; L524-I586 HydrophobicContact CD2-CD1 4.48Å; L524-I586 HydrophobicContact CD2-CG2 3.9Å; C582-I586 WeakPolarHBondContact O-CD1 3.4Å; C582-I586 VanDerWaalsContact O-CG1 3.32Å; C582-I586 WeakPolarHBondContact O-CG1 3.45Å; C582-I586 PolarHBondContact O-N 3.23Å; L583-I586 WeakPolarHBondContact O-CB 3.4Å; L583-I586 PolarHBondContact O-N 3.47Å; L583-I586 VanDerWaalsContact O-N 3.14Å; N584-I586 VanDerWaalsContact C-N 3.25Å; N584-I586 PolarHBondContact O-N 2.85Å; I586-D588 VanDerWaalsContact C-N 3.33Å; I586-D588 PolarHBondContact O-N 3.07Å; I586-L589 PolarHBondContact O-N 2.87Å; I586-C590 PolarHBondContact O-N 2.82Å; I586-C590 PolarHBondContact O-SG 3.23Å; I586-F619 HydrophobicContact CG2-CD2 4.43Å; I586-F619 HydrophobicContact CG2-CE2 3.82Å; I586-Q622 HydrophobicContact CD1-CB 4.43Å; I586-Q622 HydrophobicContact CD1-CG 4.1Å; I586-Q622 HydrophobicContact CG1-CB 3.85Å; I586-Q622 HydrophobicContact CG1-CG 3.58Å; I586-L626 HydrophobicContact CD1-CB 4.46Å; I586-L626 HydrophobicContact CD1-CD2 3.92Å
587L92.6Very high89.3Confident2 Ų235 Ų351%0.0119%0.188CC..Hα-helixtrans-61-41.5178.2-65.6176.8000111.4V485 V488 V525 L583 N584 C590 H591V485-L587 HydrophobicContact CG2-CD1 3.94Å; V485-L587 HydrophobicContact CG2-CD2 4.39Å; V488-L587 HydrophobicContact CB-CD2 3.95Å; V488-L587 HydrophobicContact CG1-CD2 4.06Å; V488-L587 HydrophobicContact CG2-CB 3.91Å; V488-L587 HydrophobicContact CG2-CD2 3.78Å; V488-L587 HydrophobicContact CG2-CG 4.36Å; V525-L587 HydrophobicContact CG2-CD2 4.27Å; L583-L587 WeakPolarHBondContact O-CG 3.33Å; L583-L587 PolarHBondContact O-N 3Å; N584-L587 WeakPolarHBondContact O-CB 3.4Å; N584-L587 PolarHBondContact O-N 3.39Å; L587-C590 WeakPolarHBondContact O-CB 3.38Å; L587-C590 PolarHBondContact O-N 3.47Å; L587-H591 PolarHBondContact O-CD2 2.86Å; L587-H591 PolarHBondContact O-N 3.4Å
588D91.2Very high89.3Confident84 Ų8432.6 Ų32.645%0.44918%0.184SC..Hα-helixtrans-67.6-38.5177.6-70.7-28000112.9N584 E585 I586 C590 H591 S592N584-D588 PolarHBondContact O-N 3.42Å; E585-D588 PolarHBondContact O-N 2.83Å; I586-D588 VanDerWaalsContact C-N 3.33Å; I586-D588 PolarHBondContact O-N 3.07Å; D588-C590 VanDerWaalsContact C-N 3.34Å; D588-H591 PolarHBondContact O-N 3.19Å; D588-S592 WeakPolarHBondContact O-CB 3.48Å; D588-S592 PolarHBondContact O-N 3.25Å; D588-S592 PolarHBondContact O-OG 3.03Å
589L93.4Very high89Confident28 Ų2835.3 Ų35.315%0.14719%0.189CC..Hα-helixtrans-64-39.4171.9-73168.2000111.5M521 E585 I586 S592 F593 L615 F619 Q622M521-L589 HydrophobicContact CE-CB 4.47Å; E585-L589 WeakPolarHBondContact O-CB 3.43Å; E585-L589 WeakPolarHBondContact O-CD1 3.34Å; E585-L589 WeakPolarHBondContact O-CG 3.26Å; E585-L589 PolarHBondContact O-N 3.29Å; I586-L589 PolarHBondContact O-N 2.87Å; L589-S592 PolarHBondContact O-N 3.11Å; L589-F593 WeakPolarHBondContact O-CB 3.09Å; L589-F593 PolarHBondContact O-N 3.32Å; L589-L615 HydrophobicContact CD2-CD2 3.87Å; L589-F619 HydrophobicContact CD1-CB 4.4Å; L589-Q622 HydrophobicContact CD1-CB 4.37Å
590C93.6Very high88.5Confident0 Ų037.5 Ų37.50%020%0.2CC..Hα-helixtrans-63.9-44.5173.8-68.10000111.4V488 L492 M521 I586 L587 D588 S592 F593 C594V488-C590 HydrophobicContact CG1-CB 3.39Å; L492-C590 HydrophobicContact CD1-CB 4.29Å; M521-C590 HydrophobicContact SD-CB 4.47Å; I586-C590 PolarHBondContact O-N 2.82Å; I586-C590 PolarHBondContact O-SG 3.23Å; L587-C590 WeakPolarHBondContact O-CB 3.38Å; L587-C590 PolarHBondContact O-N 3.47Å; D588-C590 VanDerWaalsContact C-N 3.34Å; C590-S592 PolarHBondContact O-N 3.49Å; C590-F593 WeakPolarHBondContact O-CB 3.31Å; C590-F593 PolarHBondContact O-N 3.32Å; C590-C594 PolarHBondContact O-N 3.02Å; C590-C594 PolarHBondContact O-SG 3.11Å
591H89.9Confident87.5Confident24 Ų2437.8 Ų37.811%0.11120%0.204CC..Hα-helixtrans-59.9-45.8174.6-80.2-51.3000112.4R487 V488 E491 L587 D588 F593 C594 S595R487-H591 PolarHBondContact NH1-CE1 3.04Å; R487-H591 VanDerWaalsContact NH1-CE1 3.26Å; R487-H591 PolarHBondContact NH2-CE1 3.34Å; R487-H591 PolarHBondContact NH2-NE2 3.2Å; V488-H591 WeakPolarHBondContact CG2-CE1 3.3Å; V488-H591 WeakPolarHBondContact CG2-NE2 3.47Å; E491-H591 VanDerWaalsContact CD-ND1 3.31Å; E491-H591 IonicContact OE1-CE1 2.6Å; E491-H591 PolarHBondContact OE1-CE1 2.99Å; E491-H591 IonicContact OE1-ND1 3.09Å; E491-H591 PolarHBondContact OE1-ND1 3.1Å; E491-H591 IonicContact OE2-CE1 3.62Å; E491-H591 PolarHBondContact OE2-CE1 3.44Å; E491-H591 IonicContact OE2-CG 2.73Å; E491-H591 IonicContact OE2-ND1 3.6Å; E491-H591 PolarHBondContact OE2-ND1 3.06Å; L587-H591 PolarHBondContact O-CD2 2.86Å; L587-H591 PolarHBondContact O-N 3.4Å; D588-H591 PolarHBondContact O-N 3.19Å; H591-F593 VanDerWaalsContact C-N 3.3Å; H591-F593 PolarHBondContact O-N 3.22Å; H591-C594 PolarHBondContact O-N 2.89Å; H591-S595 PolarHBondContact O-N 2.94Å
592S90.7Very high86.3Confident63 Ų6334.7 Ų34.744%0.44120%0.198SC..Hα-helixtrans-61.3-40177.6-62.10000111.6D588 L589 C590 S595 L596D588-S592 WeakPolarHBondContact O-CB 3.48Å; D588-S592 PolarHBondContact O-N 3.25Å; D588-S592 PolarHBondContact O-OG 3.03Å; L589-S592 PolarHBondContact O-N 3.11Å; C590-S592 PolarHBondContact O-N 3.49Å; S592-S595 PolarHBondContact O-N 3.22Å; S592-L596 WeakPolarHBondContact O-CB 3.38Å; S592-L596 PolarHBondContact O-N 2.98Å
593F92Very high85.2Confident0 Ų039.1 Ų39.10%023%0.227CC..Hα-helixtrans-62.8-47.5172.4173.1-99.3000112.2L492 L517 R518 M521 L589 C590 H591 S595 L596 V597 L612 L615L492-F593 HydrophobicContact CD2-CD1 4.05Å; L492-F593 HydrophobicContact CD2-CE1 4.39Å; L517-F593 HydrophobicContact CB-CE2 4.48Å; L517-F593 HydrophobicContact CD2-CD2 3.63Å; L517-F593 HydrophobicContact CD2-CE2 3.89Å; L517-F593 HydrophobicContact CD2-CG 4.39Å; L517-F593 HydrophobicContact CG-CD2 4.4Å; L517-F593 HydrophobicContact CG-CE2 4.4Å; R518-F593 HydrophobicContact CB-CE1 3.63Å; R518-F593 HydrophobicContact CB-CZ 3.73Å; R518-F593 HydrophobicContact CG-CE1 3.94Å; R518-F593 HydrophobicContact CG-CZ 4.46Å; M521-F593 HydrophobicContact CE-CB 4Å; M521-F593 HydrophobicContact CE-CG 4.4Å; M521-F593 HydrophobicContact SD-CB 3.85Å; M521-F593 HydrophobicContact SD-CD1 3.83Å; M521-F593 HydrophobicContact SD-CG 3.8Å; L589-F593 WeakPolarHBondContact O-CB 3.09Å; L589-F593 PolarHBondContact O-N 3.32Å; C590-F593 WeakPolarHBondContact O-CB 3.31Å; C590-F593 PolarHBondContact O-N 3.32Å; H591-F593 VanDerWaalsContact C-N 3.3Å; H591-F593 PolarHBondContact O-N 3.22Å; F593-S595 VanDerWaalsContact C-N 3.3Å; F593-S595 PolarHBondContact O-N 2.98Å; F593-L596 PolarHBondContact O-N 3.41Å; F593-V597 HydrophobicContact CD1-CG2 4.38Å; F593-V597 HydrophobicContact CD2-CG2 4.17Å; F593-V597 HydrophobicContact CE1-CG2 3.9Å; F593-V597 HydrophobicContact CE2-CG2 3.67Å; F593-V597 HydrophobicContact CZ-CG2 3.53Å; F593-V597 WeakPolarHBondContact O-CG2 3.48Å; F593-V597 PolarHBondContact O-N 3.4Å; F593-L612 HydrophobicContact CD2-CD1 4.23Å; F593-L612 HydrophobicContact CE2-CD1 4.09Å; F593-L615 HydrophobicContact CB-CD1 4.1Å
594C89.7Confident84.4Confident4 Ų440.1 Ų40.13%0.02723%0.232CC..Hα-helixtrans-59.4-41.7177.7-70.30000112E491 L492 C495 C590 H591 V597 S598E491-C594 HydrophobicContact CB-CB 4.17Å; L492-C594 VanDerWaalsContact CD2-SG 3.59Å; C495-C594 WeakPolarHBondContact SG-CA 3.34Å; C495-C594 VanDerWaalsContact SG-CB 3.56Å; C495-C594 VanDerWaalsContact SG-SG 3.7Å; C590-C594 PolarHBondContact O-N 3.02Å; C590-C594 PolarHBondContact O-SG 3.11Å; H591-C594 PolarHBondContact O-N 2.89Å; C594-V597 PolarHBondContact O-N 3.13Å; C594-S598 VanDerWaalsContact O-CB 3.27Å; C594-S598 WeakPolarHBondContact O-CB 3.37Å; C594-S598 PolarHBondContact O-N 3.29Å; C594-S598 PolarHBondContact O-OG 3.37Å
595S87.8Confident83.8Confident57 Ų5743.8 Ų43.840%0.39925%0.252SS..Hα-helixtrans-62.5-47.6175.7-171.10000111.8H591 S592 F593 V597 S598 Q599H591-S595 PolarHBondContact O-N 2.94Å; S592-S595 PolarHBondContact O-N 3.22Å; F593-S595 VanDerWaalsContact C-N 3.3Å; F593-S595 PolarHBondContact O-N 2.98Å; S595-V597 PolarHBondContact O-N 3.06Å; S595-S598 PolarHBondContact O-N 3.26Å; S595-Q599 WeakPolarHBondContact O-CB 3.42Å; S595-Q599 VanDerWaalsContact O-CG 3.29Å; S595-Q599 WeakPolarHBondContact O-CG 3.42Å; S595-Q599 PolarHBondContact O-N 3.26Å; S595-Q599 PolarHBondContact OG-NE2 2.97Å
596L87.4Confident83.2Confident10 Ų1049 Ų495%0.05228%0.276CS..Hα-helixtrans-59-45.3177.8177.463.7000112.1S592 F593 N600 Q611 L612 L615S592-L596 WeakPolarHBondContact O-CB 3.38Å; S592-L596 PolarHBondContact O-N 2.98Å; F593-L596 PolarHBondContact O-N 3.41Å; L596-N600 PolarHBondContact O-N 3.17Å; L596-N600 VanDerWaalsContact O-N 3.08Å; L596-Q611 HydrophobicContact CD2-CB 4.26Å; L596-L612 HydrophobicContact CD2-CB 4.12Å; L596-L615 HydrophobicContact CD2-CD1 3.88Å
597V84.4Confident82.6Confident5 Ų559.2 Ų59.23%0.0331%0.314CS..Hα-helixtrans-67.7-39.4179.6169.80000111.7C495 Q499 F593 C594 S595 N600C495-V597 HydrophobicContact CB-CG1 4.1Å; Q499-V597 HydrophobicContact CG-CG1 4.1Å; F593-V597 HydrophobicContact CD1-CG2 4.38Å; F593-V597 HydrophobicContact CD2-CG2 4.17Å; F593-V597 HydrophobicContact CE1-CG2 3.9Å; F593-V597 HydrophobicContact CE2-CG2 3.67Å; F593-V597 HydrophobicContact CZ-CG2 3.53Å; F593-V597 WeakPolarHBondContact O-CG2 3.48Å; F593-V597 PolarHBondContact O-N 3.4Å; C594-V597 PolarHBondContact O-N 3.13Å; S595-V597 PolarHBondContact O-N 3.06Å; V597-N600 CarbonylContact O-C 3.55Å
598S82.2Confident82.2Confident50 Ų5059.3 Ų59.335%0.3532%0.316SS..Hα-helixtrans-70.7-35.8-179-59.20000112.2C594 S595C594-S598 VanDerWaalsContact O-CB 3.27Å; C594-S598 WeakPolarHBondContact O-CB 3.37Å; C594-S598 PolarHBondContact O-N 3.29Å; C594-S598 PolarHBondContact O-OG 3.37Å; S595-S598 PolarHBondContact O-N 3.26Å
599Q80.6Confident81.7Confident142 Ų14257.3 Ų57.366%0.66431%0.311SS*.Hα-helixtrans-74.2-34.7176.2-69.1175.51300112.3S595S595-Q599 WeakPolarHBondContact O-CB 3.42Å; S595-Q599 VanDerWaalsContact O-CG 3.29Å; S595-Q599 WeakPolarHBondContact O-CG 3.42Å; S595-Q599 PolarHBondContact O-N 3.26Å; S595-Q599 PolarHBondContact OG-NE2 2.97Å
600N73.4Confident81.4Confident50 Ų5058.6 Ų58.627%0.26733%0.326SS..  trans-120.278.4-175.8-63.9-62.2000111.6L596 V597 G602 L604L596-N600 PolarHBondContact O-N 3.17Å; L596-N600 VanDerWaalsContact O-N 3.08Å; V597-N600 CarbonylContact O-C 3.55Å; N600-G602 PolarHBondContact O-N 3.39Å; N600-L604 HydrophobicContact CB-CD2 3.65Å
601L65.9Low81Confident65 Ų6563.6 Ų63.634%0.3435%0.349SS..  trans-73.5-4.5177.9-64.9162.5000113.6L498 R502L498-L601 HydrophobicContact CB-CD2 3.9Å; L498-L601 HydrophobicContact CD1-CD2 4.26Å; R502-L601 WeakPolarHBondContact CD-O 3.36Å; R502-L601 PolarHBondContact NH1-O 3.29Å
602G64.9Low80.9Confident29 Ų2962.7 Ų62.730%0.29935%0.345SS..SBendtrans-109.1-164.4178.900000113.8K514 N600 L604K514-G602 PolarHBondContact NZ-O 3.41Å; N600-G602 PolarHBondContact O-N 3.39Å; G602-L604 PolarHBondContact O-N 3.01Å
603P66.1Low80.8Confident93 Ų9362.2 Ų62.260%0.60434%0.342SS*.SBendtrans-54.6135.8168.1-19.831.8000109.7
604L71.9Confident80.7Confident22 Ų2267.8 Ų67.812%0.11537%0.37CS..PPolyproline II helixtrans-73.4134.3177.2-64.6177.9000109.6T510 K514 N600 G602 A609 L612T510-L604 HydrophobicContact CG2-CB 4.37Å; T510-L604 HydrophobicContact CG2-CD1 3.68Å; T510-L604 HydrophobicContact CG2-CG 4.12Å; K514-L604 VanDerWaalsContact CE-CD1 3.43Å; K514-L604 VanDerWaalsContact CE-CG 3.4Å; N600-L604 HydrophobicContact CB-CD2 3.65Å; G602-L604 PolarHBondContact O-N 3.01Å; L604-A609 HydrophobicContact CB-CB 4.5Å; L604-L612 HydrophobicContact CD1-CB 4.01Å; L604-L612 HydrophobicContact CD1-CD2 3.7Å; L604-L612 HydrophobicContact CD1-CG 4.45Å
605D76.9Confident80.8Confident119 Ų11968.4 Ų68.464%0.63637%0.373SS*.PPolyproline II helixtrans-62.2163.8163.3-60.6-24.3000110.2R607 G608 A609D605-R607 PolarHBondContact O-N 3.5Å; D605-G608 WeakPolarHBondContact O-CA 3.37Å; D605-G608 PolarHBondContact O-N 3.04Å; D605-A609 PolarHBondContact O-N 3.1Å
606E79.4Confident80.9Confident180 Ų18068.1 Ų68.184%0.84137%0.369SS*.Hα-helixtrans-51.2-36.8178.9-74.6-174.9152.400112.9A609 A610E606-A609 PolarHBondContact O-N 3.49Å; E606-A610 WeakPolarHBondContact O-CB 3.34Å; E606-A610 PolarHBondContact O-N 3.46Å
607R81.4Confident81Confident216 Ų21674.6 Ų74.682%0.81540%0.397SS*.Hα-helixtrans-65.8-43.4175.3-65.6-177.3-177178.91.2112.4D605 A609 A610 Q611D605-R607 PolarHBondContact O-N 3.5Å; R607-A609 VanDerWaalsContact C-N 3.35Å; R607-A610 PolarHBondContact O-N 3.41Å; R607-Q611 WeakPolarHBondContact O-CG 3.13Å; R607-Q611 PolarHBondContact O-N 2.93Å
608G82.5Confident81.3Confident5 Ų575 Ų755%0.05240%0.402CS..Hα-helixtrans-66.7-37.5176.700000111.9D605 Q611 L612D605-G608 WeakPolarHBondContact O-CA 3.37Å; D605-G608 PolarHBondContact O-N 3.04Å; G608-Q611 PolarHBondContact O-N 3.49Å; G608-L612 WeakPolarHBondContact O-CB 3.4Å; G608-L612 PolarHBondContact O-N 3.19Å
609A82.6Confident81.7Confident42 Ų4272.8 Ų72.835%0.34739%0.386SS..Hα-helixtrans-66-40.3174.800000112.2L604 D605 E606 R607 L612 S613L604-A609 HydrophobicContact CB-CB 4.5Å; D605-A609 PolarHBondContact O-N 3.1Å; E606-A609 PolarHBondContact O-N 3.49Å; R607-A609 VanDerWaalsContact C-N 3.35Å; A609-L612 PolarHBondContact O-N 3.33Å; A609-S613 PolarHBondContact O-N 3.28Å
610A85.4Confident82Confident54 Ų5467.6 Ų67.645%0.44637%0.366SS..Hα-helixtrans-63.3-45.3173.600000111.9E606 R607 L612 S613 I614E606-A610 WeakPolarHBondContact O-CB 3.34Å; E606-A610 PolarHBondContact O-N 3.46Å; R607-A610 PolarHBondContact O-N 3.41Å; A610-L612 PolarHBondContact O-N 2.89Å; A610-S613 WeakPolarHBondContact O-CB 3.46Å; A610-S613 PolarHBondContact O-N 2.73Å; A610-I614 WeakPolarHBondContact O-CG1 3.4Å; A610-I614 PolarHBondContact O-N 3.12Å
611Q86.6Confident82.8Confident105 Ų10573.8 Ų73.849%0.49139%0.385SS..Hα-helixtrans-60.7-43.2174.6-74.9177.1-15.700112.1L596 R607 G608 S613 I614 L615L596-Q611 HydrophobicContact CD2-CB 4.26Å; R607-Q611 WeakPolarHBondContact O-CG 3.13Å; R607-Q611 PolarHBondContact O-N 2.93Å; G608-Q611 PolarHBondContact O-N 3.49Å; Q611-S613 VanDerWaalsContact C-N 3.32Å; Q611-S613 PolarHBondContact O-N 3.11Å; Q611-I614 PolarHBondContact O-N 3.07Å; Q611-L615 WeakPolarHBondContact O-CG 3.27Å; Q611-L615 PolarHBondContact O-N 3.09Å
612L87.3Confident83.8Confident6 Ų671.2 Ų71.23%0.03137%0.372CS..Hα-helixtrans-60.1-41.4174.9-178.762.7000111.6T510 I513 K514 L517 F593 L596 L604 G608 A609 A610 I614 L615 V616T510-L612 HydrophobicContact CG2-CD2 3.97Å; I513-L612 HydrophobicContact CB-CD2 4.45Å; I513-L612 HydrophobicContact CG2-CD2 4.04Å; I513-L612 HydrophobicContact CG2-CG 4.41Å; K514-L612 HydrophobicContact CG-CD1 4.42Å; K514-L612 HydrophobicContact CG-CD2 3.85Å; L517-L612 HydrophobicContact CD2-CD1 3.99Å; F593-L612 HydrophobicContact CD2-CD1 4.23Å; F593-L612 HydrophobicContact CE2-CD1 4.09Å; L596-L612 HydrophobicContact CD2-CB 4.12Å; L604-L612 HydrophobicContact CD1-CB 4.01Å; L604-L612 HydrophobicContact CD1-CD2 3.7Å; L604-L612 HydrophobicContact CD1-CG 4.45Å; G608-L612 WeakPolarHBondContact O-CB 3.4Å; G608-L612 PolarHBondContact O-N 3.19Å; A609-L612 PolarHBondContact O-N 3.33Å; A610-L612 PolarHBondContact O-N 2.89Å; L612-I614 VanDerWaalsContact C-N 3.34Å; L612-I614 PolarHBondContact O-N 3.41Å; L612-L615 PolarHBondContact O-N 3.28Å; L612-V616 HydrophobicContact CD1-CG2 4.49Å; L612-V616 VanDerWaalsContact O-CG2 3.3Å; L612-V616 WeakPolarHBondContact O-CG2 3.43Å; L612-V616 PolarHBondContact O-N 3.34Å
613S87.9Confident84.8Confident53 Ų5370.1 Ų70.137%0.37136%0.359SS..Hα-helixtrans-62.1-40.6176.3-168.30000112.4A609 A610 Q611 V616 K617A609-S613 PolarHBondContact O-N 3.28Å; A610-S613 WeakPolarHBondContact O-CB 3.46Å; A610-S613 PolarHBondContact O-N 2.73Å; Q611-S613 VanDerWaalsContact C-N 3.32Å; Q611-S613 PolarHBondContact O-N 3.11Å; S613-V616 PolarHBondContact O-N 2.89Å; S613-K617 WeakPolarHBondContact O-CG 3.41Å; S613-K617 PolarHBondContact O-N 3.04Å; S613-K617 VanDerWaalsContact O-N 3.07Å
614I91.4Very high85.7Confident117 Ų11766.2 Ų66.260%0.633%0.334SS*.Hα-helixtrans-62.6-45.8175.3-66.1165.7000110.3A610 Q611 L612 V616 K617 G618A610-I614 WeakPolarHBondContact O-CG1 3.4Å; A610-I614 PolarHBondContact O-N 3.12Å; Q611-I614 PolarHBondContact O-N 3.07Å; L612-I614 VanDerWaalsContact C-N 3.34Å; L612-I614 PolarHBondContact O-N 3.41Å; I614-V616 PolarHBondContact O-N 2.81Å; I614-K617 PolarHBondContact O-N 3.21Å; I614-G618 PolarHBondContact O-N 3.06Å
615L91.2Very high86.4Confident16 Ų1668.8 Ų68.88%0.08435%0.348CS..Hα-helixtrans-62.6-42.9178.4-69.3172.5000112.5L517 L589 F593 L596 Q611 L612 K617 G618 F619L517-L615 HydrophobicContact CD2-CB 4.37Å; L589-L615 HydrophobicContact CD2-CD2 3.87Å; F593-L615 HydrophobicContact CB-CD1 4.1Å; L596-L615 HydrophobicContact CD2-CD1 3.88Å; Q611-L615 WeakPolarHBondContact O-CG 3.27Å; Q611-L615 PolarHBondContact O-N 3.09Å; L612-L615 PolarHBondContact O-N 3.28Å; L615-K617 PolarHBondContact O-N 3.4Å; L615-G618 PolarHBondContact O-N 3.18Å; L615-F619 VanDerWaalsContact O-CB 3.25Å; L615-F619 WeakPolarHBondContact O-CB 3.48Å; L615-F619 PolarHBondContact O-N 2.9Å
616V89.5Confident86.8Confident51 Ų5163.3 Ų63.331%0.30932%0.318SS..Hα-helixtrans-59.6-48.3175.91720000110.8I513 L517 L612 S613 I614 S620I513-V616 HydrophobicContact CG2-CG2 4.12Å; L517-V616 HydrophobicContact CD1-CG2 4.3Å; L517-V616 HydrophobicContact CD2-CG2 3.79Å; L517-V616 HydrophobicContact CG-CG2 4.43Å; L612-V616 HydrophobicContact CD1-CG2 4.49Å; L612-V616 VanDerWaalsContact O-CG2 3.3Å; L612-V616 WeakPolarHBondContact O-CG2 3.43Å; L612-V616 PolarHBondContact O-N 3.34Å; S613-V616 PolarHBondContact O-N 2.89Å; I614-V616 PolarHBondContact O-N 2.81Å; V616-S620 VanDerWaalsContact O-CB 3.29Å; V616-S620 WeakPolarHBondContact O-CB 3.42Å; V616-S620 PolarHBondContact O-N 3.48Å
617K89.4Confident86.8Confident147 Ų14755.6 Ų55.664%0.63928%0.282SS*.Hα-helixtrans-65.5-44.2179.7-71.7177.2-176.6177.90111.8S613 I614 L615 S620 R621S613-K617 WeakPolarHBondContact O-CG 3.41Å; S613-K617 PolarHBondContact O-N 3.04Å; S613-K617 VanDerWaalsContact O-N 3.07Å; I614-K617 PolarHBondContact O-N 3.21Å; L615-K617 PolarHBondContact O-N 3.4Å; K617-S620 PolarHBondContact O-N 3.21Å; K617-R621 WeakPolarHBondContact O-CB 3.41Å; K617-R621 PolarHBondContact O-N 3.22Å
618G90.3Very high86.9Confident14 Ų1451.3 Ų51.314%0.14427%0.269CS..Hα-helixtrans-59.9-50.9177.700000111.7I614 L615 S620 R621 Q622I614-G618 PolarHBondContact O-N 3.06Å; L615-G618 PolarHBondContact O-N 3.18Å; G618-S620 PolarHBondContact O-N 3.01Å; G618-R621 WeakPolarHBondContact O-CB 3.46Å; G618-R621 PolarHBondContact O-N 3.32Å; G618-Q622 WeakPolarHBondContact O-CB 3.38Å; G618-Q622 PolarHBondContact O-N 3.04Å
619F91.1Very high86.8Confident2 Ų253 Ų531%0.00928%0.276CS..Hα-helixtrans-63.8-41.4179.3-174.9-100.2000111.9L517 H520 M521 L524 I586 L589 L615 R621 Q622 S623L517-F619 HydrophobicContact CD1-CB 4.2Å; L517-F619 HydrophobicContact CD1-CD1 3.87Å; L517-F619 HydrophobicContact CD1-CG 4.2Å; H520-F619 HydrophobicContact CB-CE1 4.28Å; H520-F619 AromaticContact CE1-CE1 3.47Å; H520-F619 VanDerWaalsContact CE1-CE1 3.47Å; H520-F619 WeakPolarHBondContact CE1-CE1 3.32Å; H520-F619 AromaticContact CG-CE1 3.75Å; H520-F619 AromaticContact ND1-CE1 3.41Å; H520-F619 WeakPolarHBondContact ND1-CE1 3.47Å; H520-F619 AromaticContact NE2-CE1 3.95Å; M521-F619 HydrophobicContact CB-CE2 4.31Å; M521-F619 HydrophobicContact CB-CZ 4.23Å; M521-F619 HydrophobicContact CE-CB 3.94Å; M521-F619 HydrophobicContact CE-CD2 3.66Å; M521-F619 HydrophobicContact CE-CE2 4.33Å; M521-F619 HydrophobicContact CE-CG 3.81Å; M521-F619 HydrophobicContact CG-CD1 4.29Å; M521-F619 HydrophobicContact CG-CD2 3.8Å; M521-F619 HydrophobicContact CG-CE1 4Å; M521-F619 HydrophobicContact CG-CE2 3.5Å; M521-F619 HydrophobicContact CG-CG 4.19Å; M521-F619 HydrophobicContact CG-CZ 3.63Å; L524-F619 HydrophobicContact CB-CZ 4.45Å; L524-F619 HydrophobicContact CD1-CZ 4.12Å; I586-F619 HydrophobicContact CG2-CD2 4.43Å; I586-F619 HydrophobicContact CG2-CE2 3.82Å; L589-F619 HydrophobicContact CD1-CB 4.4Å; L615-F619 VanDerWaalsContact O-CB 3.25Å; L615-F619 WeakPolarHBondContact O-CB 3.48Å; L615-F619 PolarHBondContact O-N 2.9Å; F619-R621 PolarHBondContact O-N 2.8Å; F619-Q622 PolarHBondContact O-N 3.43Å; F619-S623 WeakPolarHBondContact O-CB 3.4Å; F619-S623 PolarHBondContact O-N 3.34Å
620S87.4Confident86.6Confident34 Ų3451 Ų5124%0.23826%0.26CS..Hα-helixtrans-61.9-42.8175.1-1740000112.5V616 K617 G618 S624V616-S620 VanDerWaalsContact O-CB 3.29Å; V616-S620 WeakPolarHBondContact O-CB 3.42Å; V616-S620 PolarHBondContact O-N 3.48Å; K617-S620 PolarHBondContact O-N 3.21Å; G618-S620 PolarHBondContact O-N 3.01Å; S620-S624 VanDerWaalsContact O-CB 3.29Å; S620-S624 WeakPolarHBondContact O-CB 3.42Å; S620-S624 PolarHBondContact O-N 3.09Å; S620-S624 PolarHBondContact O-OG 3.37Å
621R88.9Confident86.1Confident179 Ų17949.8 Ų49.868%0.67525%0.249SC*.Hα-helixtrans-61.5-47.3176.7-17618071.31752110.6K617 G618 F619 S624 L625K617-R621 WeakPolarHBondContact O-CB 3.41Å; K617-R621 PolarHBondContact O-N 3.22Å; G618-R621 WeakPolarHBondContact O-CB 3.46Å; G618-R621 PolarHBondContact O-N 3.32Å; F619-R621 PolarHBondContact O-N 2.8Å; R621-S624 PolarHBondContact O-N 3.17Å; R621-L625 WeakPolarHBondContact O-CB 3.27Å; R621-L625 PolarHBondContact O-N 3.01Å
622Q88.1Confident85.5Confident12 Ų1247.8 Ų47.86%0.05625%0.246CC..Hα-helixtrans-71.6-42-175.3-152.460.227.200112.7C582 E585 I586 L589 G618 F619 S624 L625 L626C582-Q622 VanDerWaalsContact CB-NE2 3.31Å; C582-Q622 WeakPolarHBondContact O-CG 3.27Å; C582-Q622 PolarHBondContact SG-NE2 3.08Å; C582-Q622 PolarHBondContact SG-O 2.83Å; C582-Q622 VanDerWaalsContact SG-O 3.42Å; E585-Q622 HydrophobicContact CB-CG 4.02Å; I586-Q622 HydrophobicContact CD1-CB 4.43Å; I586-Q622 HydrophobicContact CD1-CG 4.1Å; I586-Q622 HydrophobicContact CG1-CB 3.85Å; I586-Q622 HydrophobicContact CG1-CG 3.58Å; L589-Q622 HydrophobicContact CD1-CB 4.37Å; G618-Q622 WeakPolarHBondContact O-CB 3.38Å; G618-Q622 PolarHBondContact O-N 3.04Å; F619-Q622 PolarHBondContact O-N 3.43Å; Q622-S624 VanDerWaalsContact C-N 3.33Å; Q622-S624 PolarHBondContact O-N 3.02Å; Q622-L625 PolarHBondContact O-N 3.44Å; Q622-L626 PolarHBondContact O-N 2.86Å
623S86.1Confident84.6Confident6 Ų649 Ų494%0.04225%0.254CS..Hα-helixtrans-60.5-42.2172.7175.20000111.7F619 L626 F627F619-S623 WeakPolarHBondContact O-CB 3.4Å; F619-S623 PolarHBondContact O-N 3.34Å; S623-L626 PolarHBondContact O-N 2.81Å; S623-F627 WeakPolarHBondContact O-CB 3.49Å; S623-F627 PolarHBondContact O-N 3.1Å
624S84.1Confident83.5Confident11 Ų1154 Ų548%0.07726%0.264CS..Hα-helixtrans-67-37.8176.1-54.30000112S620 R621 Q622 K628 G660S620-S624 VanDerWaalsContact O-CB 3.29Å; S620-S624 WeakPolarHBondContact O-CB 3.42Å; S620-S624 PolarHBondContact O-N 3.09Å; S620-S624 PolarHBondContact O-OG 3.37Å; R621-S624 PolarHBondContact O-N 3.17Å; Q622-S624 VanDerWaalsContact C-N 3.33Å; Q622-S624 PolarHBondContact O-N 3.02Å; S624-K628 WeakPolarHBondContact O-CB 3.29Å; S624-K628 VanDerWaalsContact O-CG 3.24Å; S624-K628 WeakPolarHBondContact O-CG 3.43Å; S624-K628 PolarHBondContact O-N 2.82Å; S624-G660 WeakPolarHBondContact CA-O 3.29Å; S624-G660 WeakPolarHBondContact CB-O 3.36Å; S624-G660 PolarHBondContact OG-O 2.99Å
625L86.3Confident82.1Confident76 Ų7654.6 Ų54.640%0.39827%0.269SS..Hα-helixtrans-63.9-48.3175.1178.659.6000110.9R621 Q622 F627 K628 I629R621-L625 WeakPolarHBondContact O-CB 3.27Å; R621-L625 PolarHBondContact O-N 3.01Å; Q622-L625 PolarHBondContact O-N 3.44Å; L625-F627 VanDerWaalsContact C-N 3.31Å; L625-F627 PolarHBondContact O-N 3.28Å; L625-K628 PolarHBondContact O-N 2.76Å; L625-I629 HydrophobicContact CD1-CD1 3.99Å; L625-I629 HydrophobicContact CD1-CG1 4.22Å; L625-I629 HydrophobicContact CG-CD1 3.89Å; L625-I629 VanDerWaalsContact O-CG1 3.29Å; L625-I629 WeakPolarHBondContact O-CG1 3.48Å; L625-I629 PolarHBondContact O-N 3.38Å
626L85.1Confident80.5Confident3 Ų359.9 Ų59.92%0.01629%0.293CS..Hα-helixtrans-54.5-49.8175.7-174.460.5000110.7V579 C582 L583 I586 Q622 S623 K628 I629 L630 L649V579-L626 HydrophobicContact CG1-CD1 4.14Å; C582-L626 VanDerWaalsContact SG-CB 3.58Å; L583-L626 HydrophobicContact CD2-CD1 4.13Å; L583-L626 HydrophobicContact CD2-CD2 3.75Å; L583-L626 HydrophobicContact CG-CD1 4.4Å; I586-L626 HydrophobicContact CD1-CB 4.46Å; I586-L626 HydrophobicContact CD1-CD2 3.92Å; Q622-L626 PolarHBondContact O-N 2.86Å; S623-L626 PolarHBondContact O-N 2.81Å; L626-K628 PolarHBondContact O-N 3.17Å; L626-I629 PolarHBondContact O-N 3.41Å; L626-L630 HydrophobicContact CD1-CD1 4.24Å; L626-L630 HydrophobicContact CD1-CG 4.35Å; L626-L630 HydrophobicContact CG-CD1 3.91Å; L626-L630 HydrophobicContact CG-CG 4.41Å; L626-L630 WeakPolarHBondContact O-CB 3.45Å; L626-L630 VanDerWaalsContact O-CG 3.25Å; L626-L630 WeakPolarHBondContact O-CG 3.42Å; L626-L630 PolarHBondContact O-N 3.46Å; L626-L649 HydrophobicContact CD2-CD1 4.46Å
627F81.2Confident78.7Confident19 Ų1966.3 Ų66.38%0.08332%0.32CS..Hα-helixtrans-63.3-39.4-179.3-170.6-93.5000112.8S623 L625 L630 S631 L646 D650 Y655 G660S623-F627 WeakPolarHBondContact O-CB 3.49Å; S623-F627 PolarHBondContact O-N 3.1Å; L625-F627 VanDerWaalsContact C-N 3.31Å; L625-F627 PolarHBondContact O-N 3.28Å; F627-L630 PolarHBondContact O-N 3.5Å; F627-S631 VanDerWaalsContact CE1-OG 3.32Å; F627-S631 WeakPolarHBondContact CE1-OG 3.25Å; F627-S631 WeakPolarHBondContact O-CB 3.29Å; F627-S631 PolarHBondContact O-N 3.18Å; F627-S631 PolarHBondContact O-OG 3.22Å; F627-L646 HydrophobicContact CD2-CD1 3.65Å; F627-L646 HydrophobicContact CE2-CD1 3.39Å; F627-L646 HydrophobicContact CZ-CD1 4.14Å; F627-D650 HydrophobicContact CE2-CB 3.88Å; F627-Y655 HydrophobicContact CD2-CG 4.41Å; F627-Y655 HydrophobicContact CE2-CG 4.41Å; F627-G660 VanDerWaalsContact CD1-CA 3.47Å
628K82.4Confident77.2Confident126 Ų12665.8 Ų65.855%0.54832%0.323SS..Hα-helixtrans-63.7-43.1174.5-76.3173.6-177-176.70111.8S624 L625 L626 S631 S632S624-K628 WeakPolarHBondContact O-CB 3.29Å; S624-K628 VanDerWaalsContact O-CG 3.24Å; S624-K628 WeakPolarHBondContact O-CG 3.43Å; S624-K628 PolarHBondContact O-N 2.82Å; L625-K628 PolarHBondContact O-N 2.76Å; L626-K628 PolarHBondContact O-N 3.17Å; K628-S631 PolarHBondContact O-N 2.8Å; K628-S632 VanDerWaalsContact O-CB 3.25Å; K628-S632 WeakPolarHBondContact O-CB 3.13Å; K628-S632 PolarHBondContact O-N 2.9Å
629I81.3Confident75.9Confident39 Ų3967.4 Ų67.420%0.233%0.328CS..Hα-helixtrans-61.5-51.8176.2-65.8165000109.6P578 V579 L625 L626 S631 S632 V633P578-I629 HydrophobicContact CB-CD1 4.38Å; V579-I629 HydrophobicContact CG2-CG2 3.66Å; L625-I629 HydrophobicContact CD1-CD1 3.99Å; L625-I629 HydrophobicContact CD1-CG1 4.22Å; L625-I629 HydrophobicContact CG-CD1 3.89Å; L625-I629 VanDerWaalsContact O-CG1 3.29Å; L625-I629 WeakPolarHBondContact O-CG1 3.48Å; L625-I629 PolarHBondContact O-N 3.38Å; L626-I629 PolarHBondContact O-N 3.41Å; I629-S631 VanDerWaalsContact C-N 3.34Å; I629-S631 PolarHBondContact O-N 2.81Å; I629-S632 PolarHBondContact O-N 3.38Å; I629-V633 VanDerWaalsContact O-CG2 3.31Å; I629-V633 WeakPolarHBondContact O-CG2 3.48Å; I629-V633 PolarHBondContact O-N 3.32Å; I629-V633 VanDerWaalsContact O-N 3.09Å
630L76.9Confident74.9Confident0 Ų072 Ų720%036%0.36CS..Hα-helixtrans-59.8-41.8179.5-68.2174.3000112.5L626 F627 V633 R634 L642 L645 L646 L649L626-L630 HydrophobicContact CD1-CD1 4.24Å; L626-L630 HydrophobicContact CD1-CG 4.35Å; L626-L630 HydrophobicContact CG-CD1 3.91Å; L626-L630 HydrophobicContact CG-CG 4.41Å; L626-L630 WeakPolarHBondContact O-CB 3.45Å; L626-L630 VanDerWaalsContact O-CG 3.25Å; L626-L630 WeakPolarHBondContact O-CG 3.42Å; L626-L630 PolarHBondContact O-N 3.46Å; F627-L630 PolarHBondContact O-N 3.5Å; L630-V633 PolarHBondContact O-N 3.47Å; L630-R634 PolarHBondContact O-N 3.18Å; L630-R634 VanDerWaalsContact O-N 3.11Å; L630-L642 HydrophobicContact CD2-CB 4.28Å; L630-L642 HydrophobicContact CD2-CD2 3.56Å; L630-L645 HydrophobicContact CD1-CD2 4.24Å; L630-L645 HydrophobicContact CD1-CG 4.46Å; L630-L645 HydrophobicContact CD2-CD2 4.22Å; L630-L646 HydrophobicContact CB-CB 4.15Å; L630-L646 HydrophobicContact CB-CD1 3.92Å; L630-L646 HydrophobicContact CB-CD2 4.32Å; L630-L646 HydrophobicContact CB-CG 4.36Å; L630-L646 HydrophobicContact CD1-CD1 4.4Å; L630-L649 HydrophobicContact CD1-CD1 3.72Å
631S76.2Confident74.2Confident30 Ų3072.8 Ų72.821%0.2136%0.362CS..Hα-helixtrans-70.6-37.9179-61.60000112.7F627 K628 I629 V633 R634 N635F627-S631 VanDerWaalsContact CE1-OG 3.32Å; F627-S631 WeakPolarHBondContact CE1-OG 3.25Å; F627-S631 WeakPolarHBondContact O-CB 3.29Å; F627-S631 PolarHBondContact O-N 3.18Å; F627-S631 PolarHBondContact O-OG 3.22Å; K628-S631 PolarHBondContact O-N 2.8Å; I629-S631 VanDerWaalsContact C-N 3.34Å; I629-S631 PolarHBondContact O-N 2.81Å; S631-V633 VanDerWaalsContact C-N 3.29Å; S631-V633 PolarHBondContact O-N 2.72Å; S631-R634 PolarHBondContact O-N 2.98Å; S631-N635 PolarHBondContact O-N 3.32Å
632S73.9Confident73.3Confident63 Ų6364.6 Ų64.644%0.44133%0.331SS..Hα-helixtrans-61.7-40.2174.9-174.80000111.1K628 I629 N635 H636K628-S632 VanDerWaalsContact O-CB 3.25Å; K628-S632 WeakPolarHBondContact O-CB 3.13Å; K628-S632 PolarHBondContact O-N 2.9Å; I629-S632 PolarHBondContact O-N 3.38Å; S632-N635 PolarHBondContact O-N 2.97Å; S632-H636 PolarHBondContact O-ND1 2.96Å
633V68Low72.6Confident32 Ų3265.6 Ų65.619%0.19434%0.341CS..Hα-helixtrans-70.1-39.1179.2176.20000111.7I629 L630 S631 N635 H636 Q637 N639 L642I629-V633 VanDerWaalsContact O-CG2 3.31Å; I629-V633 WeakPolarHBondContact O-CG2 3.48Å; I629-V633 PolarHBondContact O-N 3.32Å; I629-V633 VanDerWaalsContact O-N 3.09Å; L630-V633 PolarHBondContact O-N 3.47Å; S631-V633 VanDerWaalsContact C-N 3.29Å; S631-V633 PolarHBondContact O-N 2.72Å; V633-N635 VanDerWaalsContact C-N 3.26Å; V633-N635 PolarHBondContact O-N 3.34Å; V633-H636 PolarHBondContact O-N 3.24Å; V633-H636 VanDerWaalsContact O-N 3.15Å; V633-Q637 PolarHBondContact O-N 3.39Å; V633-N639 HydrophobicContact CG1-CB 4.04Å; V633-L642 HydrophobicContact CB-CD1 4.24Å; V633-L642 HydrophobicContact CG1-CB 4.01Å; V633-L642 HydrophobicContact CG1-CD1 3.66Å; V633-L642 HydrophobicContact CG1-CG 4.48Å; V633-L642 HydrophobicContact CG2-CD1 4.09Å
634R64Low72.3Confident156 Ų15668.6 Ų68.659%0.58936%0.355SS*.Hα-helixtrans-56.3-40.2174.6-179.8-179.3173.1-169.61.3112.4L630 S631 H636 Q637 L646L630-R634 PolarHBondContact O-N 3.18Å; L630-R634 VanDerWaalsContact O-N 3.11Å; S631-R634 PolarHBondContact O-N 2.98Å; R634-H636 PolarHBondContact O-N 3.35Å; R634-Q637 PolarHBondContact O-N 2.91Å; R634-L646 HydrophobicContact CB-CD2 4.1Å
635N61.9Low72Confident130 Ų13068.1 Ų68.170%0.69535%0.351SS*.Hα-helixtrans-69.1-18.8-177.7-69.6-17.4000113.7S631 S632 V633S631-N635 PolarHBondContact O-N 3.32Å; S632-N635 PolarHBondContact O-N 2.97Å; V633-N635 VanDerWaalsContact C-N 3.26Å; V633-N635 PolarHBondContact O-N 3.34Å
636H57.7Low71.7Confident127 Ų12764.8 Ų64.859%0.58833%0.334SS*.THydrogen-bonded Turntrans-104.20.2-177.2-66.680.9000113.8S632 V633 R634 I638S632-H636 PolarHBondContact O-ND1 2.96Å; V633-H636 PolarHBondContact O-N 3.24Å; V633-H636 VanDerWaalsContact O-N 3.15Å; R634-H636 PolarHBondContact O-N 3.35Å; H636-I638 HydrophobicContact CB-CD1 3.58Å; H636-I638 HydrophobicContact CB-CG1 3.78Å; H636-I638 WeakPolarHBondContact O-CG1 3.28Å; H636-I638 PolarHBondContact O-N 3.2Å
637Q53.6Low71.5Confident187 Ų18769.1 Ų69.187%0.87436%0.357SS*.THydrogen-bonded Turntrans55.416.5-176.2-63.2-171.8-16.600115.4V633 R634 N639V633-Q637 PolarHBondContact O-N 3.39Å; R634-Q637 PolarHBondContact O-N 2.91Å; Q637-N639 PolarHBondContact O-N 3.1Å
638I56Low71.4Confident136 Ų13671.3 Ų71.370%0.69736%0.364SS*.  trans-75.8-24.7-170-65.4170.2000112.4H636H636-I638 HydrophobicContact CB-CD1 3.58Å; H636-I638 HydrophobicContact CB-CG1 3.78Å; H636-I638 WeakPolarHBondContact O-CG1 3.28Å; H636-I638 PolarHBondContact O-N 3.2Å
639N63.6Low71.2Confident48 Ų4866 Ų6626%0.25734%0.342SS..  trans-152.3113-176.6-164.4-34.5000112.3V633 Q637 D641 L642V633-N639 HydrophobicContact CG1-CB 4.04Å; Q637-N639 PolarHBondContact O-N 3.1Å; N639-D641 VanDerWaalsContact C-N 3.27Å; N639-D641 PolarHBondContact O-N 2.96Å; N639-D641 WeakPolarHBondContact OD1-CB 3.5Å; N639-D641 PolarHBondContact OD1-N 3.29Å; N639-D641 PolarHBondContact OD1-OD2 3.32Å; N639-L642 HydrophobicContact CB-CB 4.36Å; N639-L642 HydrophobicContact CB-CD1 3.92Å; N639-L642 HydrophobicContact CB-CG 4.35Å
640S71.1Confident70.9Confident97 Ų9764.7 Ų64.768%0.67834%0.335SS*.Hα-helixtrans-65.2-30.2-179.7-171.50000112.6A643 Q644S640-A643 WeakPolarHBondContact O-CB 3.37Å; S640-A643 PolarHBondContact O-N 3.39Å; S640-Q644 PolarHBondContact O-N 2.9Å; S640-Q644 VanDerWaalsContact O-N 3.08Å
641D71.1Confident70.7Confident52 Ų5273.1 Ų73.128%0.27837%0.368SS..Hα-helixtrans-75.8-38.4-172.9-52.4-40.6000111.1Q571 N639 A643 Q644 L645Q571-D641 HydrophobicContact CG-CB 4.28Å; Q571-D641 WeakPolarHBondContact CG-OD2 3.23Å; Q571-D641 PolarHBondContact NE2-OD2 3.46Å; N639-D641 VanDerWaalsContact C-N 3.27Å; N639-D641 PolarHBondContact O-N 2.96Å; N639-D641 WeakPolarHBondContact OD1-CB 3.5Å; N639-D641 PolarHBondContact OD1-N 3.29Å; N639-D641 PolarHBondContact OD1-OD2 3.32Å; D641-A643 VanDerWaalsContact C-N 3.29Å; D641-A643 PolarHBondContact O-N 2.97Å; D641-Q644 WeakPolarHBondContact O-CB 3.49Å; D641-Q644 PolarHBondContact O-N 2.88Å; D641-L645 PolarHBondContact O-N 3.45Å; D641-L645 VanDerWaalsContact O-N 3.09Å
642L71.1Confident70.4Confident6 Ų677.6 Ų77.63%0.03139%0.39CS..Hα-helixtrans-64.2-34.5171.8-74.7168000112.1F573 L576 V579 L630 V633 N639 Q644 L646F573-L642 HydrophobicContact CD1-CD2 3.49Å; F573-L642 VanDerWaalsContact CD1-CD2 3.49Å; F573-L642 HydrophobicContact CD1-CG 4.1Å; F573-L642 HydrophobicContact CE1-CB 4.43Å; F573-L642 HydrophobicContact CE1-CD2 3.15Å; F573-L642 HydrophobicContact CE1-CG 3.5Å; F573-L642 HydrophobicContact CE2-CD2 4.34Å; F573-L642 HydrophobicContact CG-CD2 4.2Å; F573-L642 HydrophobicContact CZ-CD2 3.62Å; F573-L642 HydrophobicContact CZ-CG 4.16Å; L576-L642 HydrophobicContact CD1-CD1 3.75Å; L576-L642 HydrophobicContact CD1-CD2 4.31Å; L576-L642 HydrophobicContact CD1-CG 4.37Å; V579-L642 HydrophobicContact CG2-CD2 4.41Å; L630-L642 HydrophobicContact CD2-CB 4.28Å; L630-L642 HydrophobicContact CD2-CD2 3.56Å; V633-L642 HydrophobicContact CB-CD1 4.24Å; V633-L642 HydrophobicContact CG1-CB 4.01Å; V633-L642 HydrophobicContact CG1-CD1 3.66Å; V633-L642 HydrophobicContact CG1-CG 4.48Å; V633-L642 HydrophobicContact CG2-CD1 4.09Å; N639-L642 HydrophobicContact CB-CB 4.36Å; N639-L642 HydrophobicContact CB-CD1 3.92Å; N639-L642 HydrophobicContact CB-CG 4.35Å; L642-Q644 VanDerWaalsContact C-N 3.34Å; L642-L646 WeakPolarHBondContact O-CB 3.41Å; L642-L646 PolarHBondContact O-N 3.08Å; L642-L646 VanDerWaalsContact O-N 3.11Å
643A73.1Confident70Confident33 Ų3380.8 Ų80.827%0.27340%0.396SS..Hα-helixtrans-69.2-34.1175.100000111.9S640 D641 L646 L647S640-A643 WeakPolarHBondContact O-CB 3.37Å; S640-A643 PolarHBondContact O-N 3.39Å; D641-A643 VanDerWaalsContact C-N 3.29Å; D641-A643 PolarHBondContact O-N 2.97Å; A643-L646 PolarHBondContact O-N 3.06Å; A643-L647 WeakPolarHBondContact O-CB 3.47Å; A643-L647 PolarHBondContact O-N 3.45Å
644Q79.6Confident69.9Low69 Ų6984.8 Ų84.832%0.32241%0.409SS..Hα-helixtrans-68-44.4176.4-172.967.5-0.700111.9Y531 S640 D641 L642 L646 L647 R648Y531-Q644 HydrophobicContact CD2-CG 4.5Å; Y531-Q644 HydrophobicContact CE2-CB 4.32Å; Y531-Q644 HydrophobicContact CE2-CG 4.34Å; S640-Q644 PolarHBondContact O-N 2.9Å; S640-Q644 VanDerWaalsContact O-N 3.08Å; D641-Q644 WeakPolarHBondContact O-CB 3.49Å; D641-Q644 PolarHBondContact O-N 2.88Å; L642-Q644 VanDerWaalsContact C-N 3.34Å; Q644-L646 VanDerWaalsContact C-N 3.32Å; Q644-L646 PolarHBondContact O-N 3.23Å; Q644-L647 PolarHBondContact O-N 3.16Å; Q644-R648 PolarHBondContact O-N 3.25Å; Q644-R648 VanDerWaalsContact O-N 3.13Å
645L78.8Confident70Confident1 Ų178.2 Ų78.21%0.00538%0.384CS..Hα-helixtrans-59.8-44.2172.8176.564.5000111L528 Y531 F573 L630 D641 L647 R648 L649L528-L645 HydrophobicContact CD1-CD1 4.47Å; Y531-L645 HydrophobicContact CD1-CB 4.44Å; Y531-L645 HydrophobicContact CD1-CD1 4.02Å; Y531-L645 HydrophobicContact CD2-CB 4.07Å; Y531-L645 HydrophobicContact CD2-CD1 4.38Å; Y531-L645 HydrophobicContact CE1-CB 4.47Å; Y531-L645 HydrophobicContact CE2-CB 4.08Å; Y531-L645 HydrophobicContact CG-CB 4.26Å; Y531-L645 HydrophobicContact CG-CD1 3.82Å; F573-L645 HydrophobicContact CD2-CD2 4.06Å; F573-L645 HydrophobicContact CE2-CB 4.06Å; F573-L645 HydrophobicContact CE2-CD2 3.38Å; F573-L645 HydrophobicContact CE2-CG 4.24Å; F573-L645 HydrophobicContact CZ-CB 4.09Å; F573-L645 HydrophobicContact CZ-CD2 4.13Å; L630-L645 HydrophobicContact CD1-CD2 4.24Å; L630-L645 HydrophobicContact CD1-CG 4.46Å; L630-L645 HydrophobicContact CD2-CD2 4.22Å; D641-L645 PolarHBondContact O-N 3.45Å; D641-L645 VanDerWaalsContact O-N 3.09Å; L645-L647 VanDerWaalsContact C-N 3.32Å; L645-L647 PolarHBondContact O-N 3.07Å; L645-R648 PolarHBondContact O-N 3.2Å; L645-L649 HydrophobicContact CD1-CD1 4.08Å; L645-L649 HydrophobicContact CD1-CG 4.09Å; L645-L649 HydrophobicContact CD2-CD1 4.27Å; L645-L649 HydrophobicContact CG-CD1 3.88Å; L645-L649 HydrophobicContact CG-CG 4.31Å; L645-L649 WeakPolarHBondContact O-CG 3.42Å; L645-L649 PolarHBondContact O-N 3.28Å
646L79.9Confident70.2Confident6 Ų675.6 Ų75.63%0.03137%0.373CS..Hα-helixtrans-59.6-43177.4-17959.5000112.1F627 L630 R634 L642 A643 Q644 R648 L649 D650F627-L646 HydrophobicContact CD2-CD1 3.65Å; F627-L646 HydrophobicContact CE2-CD1 3.39Å; F627-L646 HydrophobicContact CZ-CD1 4.14Å; L630-L646 HydrophobicContact CB-CB 4.15Å; L630-L646 HydrophobicContact CB-CD1 3.92Å; L630-L646 HydrophobicContact CB-CD2 4.32Å; L630-L646 HydrophobicContact CB-CG 4.36Å; L630-L646 HydrophobicContact CD1-CD1 4.4Å; R634-L646 HydrophobicContact CB-CD2 4.1Å; L642-L646 WeakPolarHBondContact O-CB 3.41Å; L642-L646 PolarHBondContact O-N 3.08Å; L642-L646 VanDerWaalsContact O-N 3.11Å; A643-L646 PolarHBondContact O-N 3.06Å; Q644-L646 VanDerWaalsContact C-N 3.32Å; Q644-L646 PolarHBondContact O-N 3.23Å; L646-R648 VanDerWaalsContact C-N 3.26Å; L646-R648 PolarHBondContact O-N 3.26Å; L646-L649 PolarHBondContact O-N 3.28Å; L646-D650 PolarHBondContact O-N 3.2Å
647L79.6Confident70.2Confident95 Ų9576.9 Ų76.950%0.49738%0.379SS..Hα-helixtrans-61.4-36.5178-177.465.7000111.7A643 Q644 L645 D650 Y651A643-L647 WeakPolarHBondContact O-CB 3.47Å; A643-L647 PolarHBondContact O-N 3.45Å; Q644-L647 PolarHBondContact O-N 3.16Å; L645-L647 VanDerWaalsContact C-N 3.32Å; L645-L647 PolarHBondContact O-N 3.07Å; L647-D650 CarbonylContact O-C 3.48Å; L647-Y651 WeakPolarHBondContact O-CA 3.43Å; L647-Y651 WeakPolarHBondContact O-CB 3.46Å; L647-Y651 PolarHBondContact O-N 3.1Å
648R79.1Confident70.5Confident64 Ų6469 Ų6924%0.24235%0.345CS..Hα-helixtrans-72.2-45.4176.4-69.3-167.2179.2-84.33.5112.7D535 Q644 L645 L646 D650D535-R648 VanDerWaalsContact CG-NH2 3.3Å; D535-R648 IonicContact OD1-CZ 3.16Å; D535-R648 IonicContact OD1-NE 3.54Å; D535-R648 IonicContact OD1-NH2 3.73Å; D535-R648 PolarHBondContact OD1-NH2 3.28Å; D535-R648 IonicContact OD2-CZ 3.23Å; D535-R648 IonicContact OD2-NE 2.65Å; D535-R648 PolarHBondContact OD2-NE 2.97Å; D535-R648 IonicContact OD2-NH2 2.93Å; D535-R648 PolarHBondContact OD2-NH2 3.41Å; D535-R648 VanDerWaalsContact OD2-NH2 3.09Å; Q644-R648 PolarHBondContact O-N 3.25Å; Q644-R648 VanDerWaalsContact O-N 3.13Å; L645-R648 PolarHBondContact O-N 3.2Å; L646-R648 VanDerWaalsContact C-N 3.26Å; L646-R648 PolarHBondContact O-N 3.26Å; R648-D650 PolarHBondContact O-N 2.92Å
649L78.8Confident70.5Confident14 Ų1465.5 Ų65.57%0.07334%0.343CS..Hα-helixtrans-62.9-31.2178.1-69.9174.8000112.1L524 N527 L626 L630 L645 L646 Y655L524-L649 HydrophobicContact CG-CD2 4.37Å; N527-L649 HydrophobicContact CB-CD2 3.85Å; L626-L649 HydrophobicContact CD2-CD1 4.46Å; L630-L649 HydrophobicContact CD1-CD1 3.72Å; L645-L649 HydrophobicContact CD1-CD1 4.08Å; L645-L649 HydrophobicContact CD1-CG 4.09Å; L645-L649 HydrophobicContact CD2-CD1 4.27Å; L645-L649 HydrophobicContact CG-CD1 3.88Å; L645-L649 HydrophobicContact CG-CG 4.31Å; L645-L649 WeakPolarHBondContact O-CG 3.42Å; L645-L649 PolarHBondContact O-N 3.28Å; L646-L649 PolarHBondContact O-N 3.28Å; L649-Y655 WeakPolarHBondContact O-CD2 3.44Å; L649-Y655 VanDerWaalsContact O-CE2 3.25Å; L649-Y655 WeakPolarHBondContact O-CE2 3.36Å
650D75.8Confident70Confident13 Ų1363.5 Ų63.57%0.0733%0.334CS..THydrogen-bonded Turntrans-127.436.5-175.6-161.632.6000114.3F627 L646 L647 R648 N652 K653 Y654 Y655 T656F627-D650 HydrophobicContact CE2-CB 3.88Å; L646-D650 PolarHBondContact O-N 3.2Å; L647-D650 CarbonylContact O-C 3.48Å; R648-D650 PolarHBondContact O-N 2.92Å; D650-N652 PolarHBondContact O-N 2.93Å; D650-K653 PolarHBondContact O-N 2.99Å; D650-K653 WeakPolarHBondContact OD1-CA 3.39Å; D650-K653 PolarHBondContact OD1-N 3.13Å; D650-Y654 PolarHBondContact OD1-N 3.02Å; D650-Y655 HydrophobicContact CB-CD2 4.23Å; D650-Y655 PolarHBondContact OD1-N 2.96Å; D650-T656 WeakPolarHBondContact OD2-CB 3.17Å; D650-T656 PolarHBondContact OD2-N 3.15Å; D650-T656 PolarHBondContact OD2-OG1 3.13Å
651Y71.2Confident68.8Low176 Ų17661.9 Ų61.969%0.6932%0.32SS*.THydrogen-bonded Turntrans-57.1-38.7178.8-175.4-99.7000111.9L647 K653L647-Y651 WeakPolarHBondContact O-CA 3.43Å; L647-Y651 WeakPolarHBondContact O-CB 3.46Å; L647-Y651 PolarHBondContact O-N 3.1Å; Y651-K653 VanDerWaalsContact C-N 3.27Å; Y651-K653 PolarHBondContact O-N 3.49Å
652N70.8Confident67.6Low124 Ų12461.2 Ų61.266%0.66332%0.316SS*.THydrogen-bonded Turntrans-83.44.5178.8-65.1-27.3000113.8D650 Y654D650-N652 PolarHBondContact O-N 2.93Å; N652-Y654 PolarHBondContact O-N 3.16Å; N652-Y654 VanDerWaalsContact O-N 3.07Å
653K64.6Low66.2Low131 Ų13161.6 Ų61.657%0.5732%0.322SS*.  trans55.717.8-174.2-56.9-176.2-179.4179.40114.8D650 Y651 Y655 T656 Q657D650-K653 PolarHBondContact O-N 2.99Å; D650-K653 WeakPolarHBondContact OD1-CA 3.39Å; D650-K653 PolarHBondContact OD1-N 3.13Å; Y651-K653 VanDerWaalsContact C-N 3.27Å; Y651-K653 PolarHBondContact O-N 3.49Å; K653-Y655 VanDerWaalsContact C-N 3.34Å; K653-Y655 PolarHBondContact O-N 3.21Å; K653-T656 PolarHBondContact O-N 3.07Å; K653-Q657 HydrophobicContact CB-CG 4.38Å; K653-Q657 VanDerWaalsContact O-CB 3.28Å; K653-Q657 WeakPolarHBondContact O-CB 3.27Å; K653-Q657 WeakPolarHBondContact O-CG 3.04Å; K653-Q657 PolarHBondContact O-N 3.08Å
654Y67.3Low64.7Low116 Ų11665.3 Ų65.346%0.45535%0.346SS..Hα-helixtrans-60.8-41.6-178178.2-98.1000112D650 N652 A658D650-Y654 PolarHBondContact OD1-N 3.02Å; N652-Y654 PolarHBondContact O-N 3.16Å; N652-Y654 VanDerWaalsContact O-N 3.07Å; Y654-A658 WeakPolarHBondContact O-CB 3.3Å; Y654-A658 PolarHBondContact O-N 2.9Å
655Y65.4Low62.8Low18 Ų1869.2 Ų69.27%0.07136%0.362CS..Hα-helixtrans-79-36.8178.6-62.5-87.8000112H520 F523 F627 L649 D650 K653 A658 G659 G660 L662H520-Y655 PolarHBondContact CD2-OH 3.36Å; H520-Y655 AromaticContact NE2-CE1 3.54Å; H520-Y655 AromaticContact NE2-CZ 3.52Å; H520-Y655 PolarHBondContact NE2-OH 2.8Å; F523-Y655 AromaticContact CE1-CE2 3.96Å; F523-Y655 HydrophobicContact CE1-CE2 3.96Å; F627-Y655 HydrophobicContact CD2-CG 4.41Å; F627-Y655 HydrophobicContact CE2-CG 4.41Å; L649-Y655 WeakPolarHBondContact O-CD2 3.44Å; L649-Y655 VanDerWaalsContact O-CE2 3.25Å; L649-Y655 WeakPolarHBondContact O-CE2 3.36Å; D650-Y655 HydrophobicContact CB-CD2 4.23Å; D650-Y655 PolarHBondContact OD1-N 2.96Å; K653-Y655 VanDerWaalsContact C-N 3.34Å; K653-Y655 PolarHBondContact O-N 3.21Å; Y655-A658 PolarHBondContact O-N 3.12Å; Y655-G659 PolarHBondContact O-N 2.89Å; Y655-G660 PolarHBondContact O-N 3.09Å; Y655-L662 HydrophobicContact CE1-CD2 3.94Å
656T65.6Low60.7Low75 Ų7572.7 Ų72.746%0.4640%0.398SS..Hα-helixtrans-60.8-44172.6-66.80000111.4D650 K653 A658 G659D650-T656 WeakPolarHBondContact OD2-CB 3.17Å; D650-T656 PolarHBondContact OD2-N 3.15Å; D650-T656 PolarHBondContact OD2-OG1 3.13Å; K653-T656 PolarHBondContact O-N 3.07Å; T656-A658 VanDerWaalsContact C-N 3.27Å; T656-A658 PolarHBondContact O-N 3.34Å; T656-G659 PolarHBondContact O-N 3.28Å
657Q58.7Low58.2Low154 Ų15484.4 Ų84.472%0.7246%0.455SS*.Hα-helixtrans-68.6-26.5178.8-73.2174.511.900112.8K653 G659K653-Q657 HydrophobicContact CB-CG 4.38Å; K653-Q657 VanDerWaalsContact O-CB 3.28Å; K653-Q657 WeakPolarHBondContact O-CB 3.27Å; K653-Q657 WeakPolarHBondContact O-CG 3.04Å; K653-Q657 PolarHBondContact O-N 3.08Å; Q657-G659 VanDerWaalsContact C-N 3.3Å; Q657-G659 PolarHBondContact O-N 3.09Å
658A59.2Low57.1Low20 Ų2083.9 Ų83.917%0.16545%0.453CS..THydrogen-bonded Turntrans-89.412.9177.200000113.8Y654 Y655 T656 T661Y654-A658 WeakPolarHBondContact O-CB 3.3Å; Y654-A658 PolarHBondContact O-N 2.9Å; Y655-A658 PolarHBondContact O-N 3.12Å; T656-A658 VanDerWaalsContact C-N 3.27Å; T656-A658 PolarHBondContact O-N 3.34Å; A658-T661 CarbonylContact C-O 3.58Å; A658-T661 WeakPolarHBondContact CB-O 3.48Å; A658-T661 PolarHBondContact O-N 2.98Å; A658-T661 PolarHBondContact O-OG1 3.28Å
659G55.4Low56Low63 Ų6384.9 Ų84.965%0.64946%0.464SS*.THydrogen-bonded Turntrans72.925.1175.300000114.5Y655 T656 Q657 T661Y655-G659 PolarHBondContact O-N 2.89Å; T656-G659 PolarHBondContact O-N 3.28Å; Q657-G659 VanDerWaalsContact C-N 3.3Å; Q657-G659 PolarHBondContact O-N 3.09Å; G659-T661 PolarHBondContact O-N 3.49Å; G659-T661 VanDerWaalsContact O-N 3.16Å
660G53.5Low54.7Low7 Ų788.8 Ų88.87%0.07249%0.486CS..THydrogen-bonded Turntrans68.37.9-173.600000113.8S624 F627 Y655S624-G660 WeakPolarHBondContact CA-O 3.29Å; S624-G660 WeakPolarHBondContact CB-O 3.36Å; S624-G660 PolarHBondContact OG-O 2.99Å; F627-G660 VanDerWaalsContact CD1-CA 3.47Å; Y655-G660 PolarHBondContact O-N 3.09Å
661T47.1Very low53.4Low62 Ų6293.3 Ų93.338%0.3851%0.511SS..SBendtrans-107145.3165.340.80000108.4A658 G659 G663A658-T661 CarbonylContact C-O 3.58Å; A658-T661 WeakPolarHBondContact CB-O 3.48Å; A658-T661 PolarHBondContact O-N 2.98Å; A658-T661 PolarHBondContact O-OG1 3.28Å; G659-T661 PolarHBondContact O-N 3.49Å; G659-T661 VanDerWaalsContact O-N 3.16Å; T661-G663 PolarHBondContact O-N 2.92Å
662L45.8Very low52.3Low38 Ų3888.1 Ų88.120%0.19950%0.499CS..SBendtrans-57.6118.8160.1-77.3161.6000107.2H520 Y655 S664H520-L662 WeakPolarHBondContact CE1-CD1 3.48Å; H520-L662 WeakPolarHBondContact CE1-CD2 3.46Å; H520-L662 WeakPolarHBondContact ND1-CD1 3.33Å; H520-L662 VanDerWaalsContact ND1-CD2 3.34Å; H520-L662 WeakPolarHBondContact ND1-CD2 3.29Å; Y655-L662 HydrophobicContact CE1-CD2 3.94Å; L662-S664 PolarHBondContact O-N 3.04Å
663G41.5Very low51.1Low14 Ų1485.7 Ų85.714%0.14449%0.489CS..  trans-40.5124.4-169.400000113T661 F665T661-G663 PolarHBondContact O-N 2.92Å; G663-F665 VanDerWaalsContact C-N 3.27Å; G663-F665 VanDerWaalsContact CA-CE2 3.41Å; G663-F665 WeakPolarHBondContact O-CD2 3.49Å; G663-F665 PolarHBondContact O-N 2.77Å
664S40.9Very low50.1Low111 Ų11182.5 Ų82.578%0.77648%0.483SS*.  trans-57.494.31641510000107.4L662L662-S664 PolarHBondContact O-N 3.04Å
665F40.4Very low48.8Very low152 Ų15279.9 Ų79.967%0.66749%0.485SS*.  trans-13997.2-179.6-67.8-64.5000110.5G663G663-F665 VanDerWaalsContact C-N 3.27Å; G663-F665 VanDerWaalsContact CA-CE2 3.41Å; G663-F665 WeakPolarHBondContact O-CD2 3.49Å; G663-F665 PolarHBondContact O-N 2.77Å
666G33.4Very low47.4Very low74 Ų7485.1 Ų85.176%0.76352%0.519SS*.  trans48.211115400000117.3
667M27.8Very low45.8Very low251 Ų25186 Ų86100%1.23653%0.525SS*.  trans-55.70151.7-77.1-158.2-152.500110.7

Retrieved 667 of 667 residues in 1764.4 ms (Link to these results)

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