A0A061AKV6_CAEEL Loading...

GB1/RHD3-type G domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AKV6, Species CAEEL (Caenorhabditis elegans), Gene atln-2, Length 315 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
1M79.9Confident85.8Confident146 Ų14682.5 Ų82.572%0.71946%0.461SS*.  01380-61.6-64.7-71.600107.4M9 F10 A11M1-M9 HydrophobicContact CB-CE 3.64Å; M1-M9 HydrophobicContact CE-CB 3.79Å; M1-M9 WeakPolarHBondContact CE-O 3.46Å; M1-F10 CarbonylContact C-O 3.53Å; M1-F10 WeakPolarHBondContact CA-O 3.46Å; M1-A11 HydrophobicContact CE-CB 4.32Å; M1-A11 VanDerWaalsContact SD-CA 3.53Å; M1-A11 HydrophobicContact SD-CB 3.6Å; M1-A11 VanDerWaalsContact SD-CB 3.6Å
2I84.4Confident86.4Confident66 Ų6680.8 Ų80.834%0.33845%0.454SS..EExtended strand (participates in β ladder)trans-118.5133.9176-67.8-179.9000107.2F10 V12 P179 L182I2-F10 PolarHBondContact N-O 2.97Å; I2-F10 PolarHBondContact O-N 3.06Å; I2-V12 HydrophobicContact CB-CG2 4.39Å; I2-V12 HydrophobicContact CD1-CG2 3.92Å; I2-V12 HydrophobicContact CG1-CG2 4.27Å; I2-P179 HydrophobicContact CG2-CB 3.76Å; I2-L182 HydrophobicContact CB-CD1 4.42Å; I2-L182 HydrophobicContact CD1-CD1 4Å; I2-L182 HydrophobicContact CG2-CD1 4.15Å
3E86.5Confident86.9Confident123 Ų12382 Ų8258%0.57546%0.464SS*.EExtended strand (participates in β ladder)trans-79.6127.8174.5-167.5174.6177.100109.3M9E3-M9 HydrophobicContact CB-SD 3.62Å; E3-M9 HydrophobicContact CG-SD 3.87Å
4S83.4Confident87.4Confident12 Ų1286 Ų868%0.08448%0.483CS..  trans-76.3168.617477.50000110.8T6 G7 E8S4-T6 PolarHBondContact O-N 3.17Å; S4-T6 VanDerWaalsContact O-N 3.13Å; S4-T6 PolarHBondContact OG-N 3.21Å; S4-T6 VanDerWaalsContact OG-N 3.17Å; S4-T6 PolarHBondContact OG-OG1 3.49Å; S4-G7 PolarHBondContact O-N 3.46Å; S4-E8 WeakPolarHBondContact CB-O 3.04Å; S4-E8 PolarHBondContact N-O 3.49Å; S4-E8 PolarHBondContact OG-N 2.72Å; S4-E8 VanDerWaalsContact OG-N 3.1Å; S4-E8 PolarHBondContact OG-O 3.23Å
5V80.4Confident87.7Confident116 Ų11686.7 Ų86.770%0.70348%0.482SS*.THydrogen-bonded Turntrans-61.6-18.6172.5-65.10000113.8H180V5-H180 HydrophobicContact CG1-CB 3.8Å
6T83.9Confident87.9Confident103 Ų10391.2 Ų91.263%0.63251%0.505SS*.THydrogen-bonded Turntrans-89.9-0.8176.757.60000113S4 E8S4-T6 PolarHBondContact O-N 3.17Å; S4-T6 VanDerWaalsContact O-N 3.13Å; S4-T6 PolarHBondContact OG-N 3.21Å; S4-T6 VanDerWaalsContact OG-N 3.17Å; S4-T6 PolarHBondContact OG-OG1 3.49Å; T6-E8 VanDerWaalsContact C-N 3.28Å
7G84.3Confident87.6Confident42 Ų4288.5 Ų88.543%0.43349%0.492SS..SBendtrans807.1-174.200000113.7S4S4-G7 PolarHBondContact O-N 3.46Å
8E87.1Confident86.5Confident114 Ų11491.1 Ų91.153%0.53350%0.499SS..  trans-80.3137.4174.9-67.5-173.6140.600110.7S4 T6 F10S4-E8 WeakPolarHBondContact CB-O 3.04Å; S4-E8 PolarHBondContact N-O 3.49Å; S4-E8 PolarHBondContact OG-N 2.72Å; S4-E8 VanDerWaalsContact OG-N 3.1Å; S4-E8 PolarHBondContact OG-O 3.23Å; T6-E8 VanDerWaalsContact C-N 3.28Å; E8-F10 HydrophobicContact CB-CD1 4.33Å; E8-F10 HydrophobicContact CB-CE1 3.67Å; E8-F10 HydrophobicContact CB-CZ 4.19Å
9M89.9Confident85.3Confident105 Ų10589 Ų8952%0.51750%0.501SS..EExtended strand (participates in β ladder)trans-90.2115179.3-67.2-59.9-74.100110.8M1 E3M1-M9 HydrophobicContact CB-CE 3.64Å; M1-M9 HydrophobicContact CE-CB 3.79Å; M1-M9 WeakPolarHBondContact CE-O 3.46Å; E3-M9 HydrophobicContact CB-SD 3.62Å; E3-M9 HydrophobicContact CG-SD 3.87Å
10F91.3Very high83.8Confident33 Ų3386.6 Ų86.615%0.14549%0.489CS..EExtended strand (participates in β ladder)trans-99138.6177.4-61.9-20.2000112.3M1 I2 E8 L182 P184M1-F10 CarbonylContact C-O 3.53Å; M1-F10 WeakPolarHBondContact CA-O 3.46Å; I2-F10 PolarHBondContact N-O 2.97Å; I2-F10 PolarHBondContact O-N 3.06Å; E8-F10 HydrophobicContact CB-CD1 4.33Å; E8-F10 HydrophobicContact CB-CE1 3.67Å; E8-F10 HydrophobicContact CB-CZ 4.19Å; F10-L182 HydrophobicContact CD2-CB 4.42Å; F10-L182 WeakPolarHBondContact CE2-O 3.34Å; F10-P184 HydrophobicContact CZ-CG 4.49Å
11A92.9Very high82.6Confident48 Ų4886.7 Ų86.740%0.39748%0.484SS..  trans-86.5125.3164.400000108.4M1 C194M1-A11 HydrophobicContact CE-CB 4.32Å; M1-A11 VanDerWaalsContact SD-CA 3.53Å; M1-A11 HydrophobicContact SD-CB 3.6Å; M1-A11 VanDerWaalsContact SD-CB 3.6Å; A11-C194 WeakPolarHBondContact CB-SG 3.4Å
12V92.9Very high81.7Confident62 Ų6282 Ų8238%0.37646%0.462SS..  trans-106.1125.9177.8-1790000108.7I2 L14 L182I2-V12 HydrophobicContact CB-CG2 4.39Å; I2-V12 HydrophobicContact CD1-CG2 3.92Å; I2-V12 HydrophobicContact CG1-CG2 4.27Å; V12-L14 HydrophobicContact CG1-CD2 4.45Å; V12-L182 HydrophobicContact CG2-CD1 3.74Å
13V92.9Very high80.4Confident96 Ų9687 Ų8758%0.58249%0.489SS*.  trans-114.7124.8176.8-179.30000107.2
14L93.1Very high79.4Confident138 Ų13888.4 Ų88.472%0.72350%0.501SS*.  trans-96.4124169.5-60.4179.3000107.6V12V12-L14 HydrophobicContact CG1-CD2 4.45Å
15M92.3Very high78.9Confident96 Ų9689.4 Ų89.447%0.47351%0.508SS..  trans-110.1113.7177.7-178.4177.8-6200108T17 V40 F201M15-T17 HydrophobicContact CG-CG2 4.38Å; M15-V40 HydrophobicContact CE-CG2 3.52Å; M15-V40 HydrophobicContact SD-CG2 4.01Å; M15-F201 HydrophobicContact CE-CE2 4.42Å
16D90.6Very high78.9Confident159 Ų15987.2 Ų87.285%0.8550%0.495SS*.PPolyproline II helixtrans-92.4120.4169.4-171.122.1000108.4
17T83Confident78.8Confident46 Ų4687.9 Ų87.928%0.28249%0.487SS..PPolyproline II helixtrans-94.9125.3176.353.50000107.8M15 G19 V33 S37M15-T17 HydrophobicContact CG-CG2 4.38Å; T17-G19 PolarHBondContact O-N 3.39Å; T17-V33 HydrophobicContact CG2-CG1 4.07Å; T17-S37 VanDerWaalsContact CG2-CB 3.5Å
18Q69.1Low78.6Confident134 Ų13488 Ų8863%0.62648%0.476SS*.PPolyproline II helixtrans-48.3134.9170.1-178.7178.1-14.800108.9T20 D22Q18-T20 PolarHBondContact O-N 2.93Å; Q18-D22 PolarHBondContact NE2-OD2 3.34Å
19G63.4Low78.4Confident52 Ų5287.4 Ų87.454%0.53647%0.473SS..  trans-47.6106.5-176.300000110.7T17 F21T17-G19 PolarHBondContact O-N 3.39Å; G19-F21 PolarHBondContact O-N 3.42Å
20T55.7Low78.2Confident41 Ų4182.6 Ų82.625%0.25245%0.45SS..THydrogen-bonded Turntrans-56.9133.8169.847.70000106.8Q18 C30 V33 F34Q18-T20 PolarHBondContact O-N 2.93Å; T20-C30 HydrophobicContact CG2-CB 4.11Å; T20-C30 WeakPolarHBondContact CG2-O 3.49Å; T20-V33 HydrophobicContact CG2-CB 4.49Å; T20-V33 HydrophobicContact CG2-CG1 4.47Å; T20-F34 HydrophobicContact CG2-CB 4.33Å
21F56.9Low77.9Confident88 Ų8881.7 Ų81.739%0.38645%0.446SS..THydrogen-bonded Turntrans78.339.9-179.5-40-72.1000115G19 Y27 C30 M31 H59G19-F21 PolarHBondContact O-N 3.42Å; F21-Y27 AromaticContact CD1-CD2 4Å; F21-Y27 HydrophobicContact CD1-CD2 4Å; F21-Y27 HydrophobicContact CD1-CE2 4.39Å; F21-Y27 AromaticContact CE1-CD2 3.49Å; F21-Y27 HydrophobicContact CE1-CD2 3.49Å; F21-Y27 VanDerWaalsContact CE1-CD2 3.49Å; F21-Y27 AromaticContact CE1-CE2 3.56Å; F21-Y27 HydrophobicContact CE1-CE2 3.56Å; F21-Y27 HydrophobicContact CE1-CG 4.45Å; F21-Y27 HydrophobicContact CZ-CE2 4.3Å; F21-C30 HydrophobicContact CD1-CB 3.89Å; F21-C30 HydrophobicContact CE1-CB 3.7Å; F21-C30 HydrophobicContact CG-CB 4.42Å; F21-C30 HydrophobicContact CZ-CB 4.07Å; F21-C30 PolarHBondContact N-SG 3.09Å; F21-M31 HydrophobicContact CZ-SD 4.29Å; F21-H59 AromaticContact CE1-CE1 3.86Å; F21-H59 AromaticContact CE1-NE2 3.97Å; F21-H59 AromaticContact CE2-CE1 3.44Å; F21-H59 VanDerWaalsContact CE2-CE1 3.44Å; F21-H59 WeakPolarHBondContact CE2-CE1 3.03Å; F21-H59 AromaticContact CE2-ND1 3.77Å; F21-H59 AromaticContact CZ-CE1 3.08Å; F21-H59 WeakPolarHBondContact CZ-CE1 3.46Å; F21-H59 AromaticContact CZ-ND1 3.59Å; F21-H59 AromaticContact CZ-NE2 3.52Å
22D60.9Low77.7Confident49 Ų4980.4 Ų80.426%0.26243%0.433SS..  trans-79.3161.6163.673.920.4000112.2Q18 N24 S25Q18-D22 PolarHBondContact NE2-OD2 3.34Å; D22-N24 PolarHBondContact O-N 3.22Å; D22-N24 PolarHBondContact OD1-N 2.84Å; D22-S25 PolarHBondContact O-N 3.08Å; D22-S25 WeakPolarHBondContact OD1-CB 3.47Å; D22-S25 PolarHBondContact OD1-N 3.24Å; D22-S25 PolarHBondContact OD1-OG 3.34Å
23N58.7Low77.6Confident170 Ų17080.2 Ų80.291%0.90943%0.432SS*.THydrogen-bonded Turntrans-66.1-9.1-176-73.3-14.8000114.5
24N64.9Low77.4Confident153 Ų15376 Ų7682%0.81841%0.406SS*.THydrogen-bonded Turntrans-108.1-20.5-173.7-67.2-17.9000112.5D22D22-N24 PolarHBondContact O-N 3.22Å; D22-N24 PolarHBondContact OD1-N 2.84Å
25S72.6Confident77.4Confident33 Ų3369.4 Ų69.423%0.23137%0.372CS..SBendtrans-96.9140.4-178.2-52.80000110.3D22D22-S25 PolarHBondContact O-N 3.08Å; D22-S25 WeakPolarHBondContact OD1-CB 3.47Å; D22-S25 PolarHBondContact OD1-N 3.24Å; D22-S25 PolarHBondContact OD1-OG 3.34Å
26T80.4Confident77.3Confident70 Ų7066 Ų6643%0.42936%0.355SS..  trans-70.8152.9173.768.50000110Q28 Q29 C30T26-Q28 PolarHBondContact O-N 3.05Å; T26-Q28 VanDerWaalsContact O-N 3.13Å; T26-Q29 PolarHBondContact O-N 3.29Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.44Å; T26-Q29 PolarHBondContact OG1-N 2.97Å; T26-C30 PolarHBondContact O-N 3.05Å; T26-C30 VanDerWaalsContact O-N 3.12Å; T26-C30 PolarHBondContact O-SG 3.27Å
27Y81.2Confident77.5Confident117 Ų11758.5 Ų58.546%0.45932%0.315SS..Hα-helixtrans-49.8-39.4172.9179-96.6000111.9F21 C30 M31 H59 L213F21-Y27 AromaticContact CD1-CD2 4Å; F21-Y27 HydrophobicContact CD1-CD2 4Å; F21-Y27 HydrophobicContact CD1-CE2 4.39Å; F21-Y27 AromaticContact CE1-CD2 3.49Å; F21-Y27 HydrophobicContact CE1-CD2 3.49Å; F21-Y27 VanDerWaalsContact CE1-CD2 3.49Å; F21-Y27 AromaticContact CE1-CE2 3.56Å; F21-Y27 HydrophobicContact CE1-CE2 3.56Å; F21-Y27 HydrophobicContact CE1-CG 4.45Å; F21-Y27 HydrophobicContact CZ-CE2 4.3Å; Y27-C30 WeakPolarHBondContact O-CB 3.34Å; Y27-C30 PolarHBondContact O-N 3.38Å; Y27-M31 HydrophobicContact CD1-CG 4.18Å; Y27-M31 HydrophobicContact CE1-CG 3.69Å; Y27-M31 HydrophobicContact CE2-CG 4.44Å; Y27-M31 WeakPolarHBondContact O-CG 3.39Å; Y27-M31 PolarHBondContact O-N 3.09Å; Y27-H59 AromaticContact CE2-NE2 3.46Å; Y27-H59 WeakPolarHBondContact CE2-NE2 3.42Å; Y27-H59 AromaticContact CZ-NE2 3.71Å; Y27-H59 PolarHBondContact OH-CD2 3.48Å; Y27-H59 PolarHBondContact OH-NE2 2.82Å; Y27-H59 VanDerWaalsContact OH-NE2 3.14Å; Y27-L213 HydrophobicContact CD1-CD2 4.37Å; Y27-L213 HydrophobicContact CE1-CD2 4.37Å
28Q81.8Confident77.9Confident45 Ų4556.5 Ų56.521%0.2130%0.303CS..Hα-helixtrans-65.4-43.1178.5-170.5-153.6-23.800113.2T26 C30 M31 T32 G210 E211 T212 L213T26-Q28 PolarHBondContact O-N 3.05Å; T26-Q28 VanDerWaalsContact O-N 3.13Å; Q28-C30 VanDerWaalsContact C-N 3.26Å; Q28-C30 PolarHBondContact O-N 3.4Å; Q28-M31 PolarHBondContact O-N 3.13Å; Q28-T32 WeakPolarHBondContact O-CB 3.14Å; Q28-T32 PolarHBondContact O-N 3.12Å; Q28-T32 PolarHBondContact O-OG1 3.03Å; Q28-G210 PolarHBondContact NE2-O 3.34Å; Q28-E211 PolarHBondContact NE2-O 3.48Å; Q28-E211 PolarHBondContact OE1-O 3.35Å; Q28-E211 VanDerWaalsContact OE1-O 3.12Å; Q28-T212 VanDerWaalsContact NE2-C 3.33Å; Q28-T212 VanDerWaalsContact NE2-N 3.17Å; Q28-T212 PolarHBondContact NE2-O 2.93Å; Q28-L213 HydrophobicContact CB-CD2 4.06Å; Q28-L213 HydrophobicContact CG-CD2 3.83Å; Q28-L213 HydrophobicContact CG-CG 4.24Å
29Q82.8Confident79.1Confident101 Ų10150.4 Ų50.447%0.47228%0.275SS..Hα-helixtrans-61-41175.5-74.9168.9-23.100110.6T26 T32 V33T26-Q29 PolarHBondContact O-N 3.29Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.44Å; T26-Q29 PolarHBondContact OG1-N 2.97Å; Q29-T32 PolarHBondContact O-N 3.45Å; Q29-V33 WeakPolarHBondContact O-CG2 3.28Å; Q29-V33 PolarHBondContact O-N 3.18Å
30C83.9Confident80.5Confident4 Ų448.4 Ų48.43%0.02725%0.252CS..Hα-helixtrans-63.1-47.7177.7-58.70000111.5T20 F21 T26 Y27 Q28 T32 V33 F34T20-C30 HydrophobicContact CG2-CB 4.11Å; T20-C30 WeakPolarHBondContact CG2-O 3.49Å; F21-C30 HydrophobicContact CD1-CB 3.89Å; F21-C30 HydrophobicContact CE1-CB 3.7Å; F21-C30 HydrophobicContact CG-CB 4.42Å; F21-C30 HydrophobicContact CZ-CB 4.07Å; F21-C30 PolarHBondContact N-SG 3.09Å; T26-C30 PolarHBondContact O-N 3.05Å; T26-C30 VanDerWaalsContact O-N 3.12Å; T26-C30 PolarHBondContact O-SG 3.27Å; Y27-C30 WeakPolarHBondContact O-CB 3.34Å; Y27-C30 PolarHBondContact O-N 3.38Å; Q28-C30 VanDerWaalsContact C-N 3.26Å; Q28-C30 PolarHBondContact O-N 3.4Å; C30-T32 VanDerWaalsContact C-N 3.28Å; C30-T32 PolarHBondContact O-N 2.88Å; C30-V33 PolarHBondContact O-N 3.12Å; C30-F34 WeakPolarHBondContact O-CB 3.46Å; C30-F34 PolarHBondContact O-N 3.14Å
31M86.1Confident82.3Confident13 Ų1347.7 Ų47.76%0.06425%0.248CC..Hα-helixtrans-62.3-34.8175.5-75.1-53.8-63.600112.8F21 Y27 Q28 F34 A35 H59 L213F21-M31 HydrophobicContact CZ-SD 4.29Å; Y27-M31 HydrophobicContact CD1-CG 4.18Å; Y27-M31 HydrophobicContact CE1-CG 3.69Å; Y27-M31 HydrophobicContact CE2-CG 4.44Å; Y27-M31 WeakPolarHBondContact O-CG 3.39Å; Y27-M31 PolarHBondContact O-N 3.09Å; Q28-M31 PolarHBondContact O-N 3.13Å; M31-F34 HydrophobicContact CE-CD1 4.39Å; M31-A35 VanDerWaalsContact O-CB 3.24Å; M31-A35 WeakPolarHBondContact O-CB 3.39Å; M31-A35 PolarHBondContact O-N 2.94Å; M31-H59 HydrophobicContact CE-CB 3.89Å; M31-H59 HydrophobicContact SD-CB 3.84Å; M31-H59 PolarHBondContact SD-CD2 3.08Å; M31-H59 VanDerWaalsContact SD-CG 3.57Å; M31-L213 HydrophobicContact CB-CD2 3.94Å; M31-L213 HydrophobicContact CG-CD2 4.21Å
32T89Confident84.1Confident22 Ų2245 Ų4514%0.13524%0.241CC..Hα-helixtrans-68.2-45.2176.8-56.30000111.7Q28 Q29 C30 F34 A35 L36 F208 P214Q28-T32 WeakPolarHBondContact O-CB 3.14Å; Q28-T32 PolarHBondContact O-N 3.12Å; Q28-T32 PolarHBondContact O-OG1 3.03Å; Q29-T32 PolarHBondContact O-N 3.45Å; C30-T32 VanDerWaalsContact C-N 3.28Å; C30-T32 PolarHBondContact O-N 2.88Å; T32-F34 VanDerWaalsContact C-N 3.33Å; T32-F34 PolarHBondContact O-N 3.11Å; T32-A35 PolarHBondContact O-N 3.3Å; T32-L36 HydrophobicContact CG2-CD1 4.15Å; T32-L36 WeakPolarHBondContact O-CB 3.45Å; T32-L36 WeakPolarHBondContact O-CG 3.38Å; T32-L36 PolarHBondContact O-N 3.13Å; T32-F208 HydrophobicContact CG2-CB 3.84Å; T32-F208 HydrophobicContact CG2-CD2 4.24Å; T32-F208 HydrophobicContact CG2-CG 4.44Å; T32-P214 HydrophobicContact CG2-CG 4.45Å
33V89.6Confident85.8Confident57 Ų5744.4 Ų44.435%0.34524%0.239SC..Hα-helixtrans-61.5-44.1175.3172.10000110.6T17 T20 Q29 C30 L36 S37T17-V33 HydrophobicContact CG2-CG1 4.07Å; T20-V33 HydrophobicContact CG2-CB 4.49Å; T20-V33 HydrophobicContact CG2-CG1 4.47Å; Q29-V33 WeakPolarHBondContact O-CG2 3.28Å; Q29-V33 PolarHBondContact O-N 3.18Å; C30-V33 PolarHBondContact O-N 3.12Å; V33-L36 PolarHBondContact O-N 2.78Å; V33-S37 WeakPolarHBondContact O-CB 3.29Å; V33-S37 PolarHBondContact O-N 2.83Å; V33-S37 PolarHBondContact O-OG 3.13Å
34F90.4Very high87.5Confident8 Ų837.1 Ų37.14%0.03520%0.199CC..Hα-helixtrans-64.2-42.7177.7-176.7-121.6000112.9T20 C30 M31 T32 S37 T38 Y46 H59 L60 F63T20-F34 HydrophobicContact CG2-CB 4.33Å; C30-F34 WeakPolarHBondContact O-CB 3.46Å; C30-F34 PolarHBondContact O-N 3.14Å; M31-F34 HydrophobicContact CE-CD1 4.39Å; T32-F34 VanDerWaalsContact C-N 3.33Å; T32-F34 PolarHBondContact O-N 3.11Å; F34-S37 PolarHBondContact O-OG 3.48Å; F34-T38 WeakPolarHBondContact O-CB 3.45Å; F34-T38 PolarHBondContact O-N 3.48Å; F34-T38 PolarHBondContact O-OG1 3.07Å; F34-Y46 HydrophobicContact CE2-CD1 4.47Å; F34-Y46 AromaticContact CE2-CD2 3.89Å; F34-Y46 HydrophobicContact CE2-CD2 3.89Å; F34-Y46 HydrophobicContact CE2-CE2 4.01Å; F34-Y46 HydrophobicContact CE2-CG 4.13Å; F34-Y46 HydrophobicContact CZ-CD1 4.13Å; F34-Y46 HydrophobicContact CZ-CD2 4.28Å; F34-Y46 HydrophobicContact CZ-CE1 4.02Å; F34-Y46 HydrophobicContact CZ-CE2 4.17Å; F34-Y46 HydrophobicContact CZ-CG 4.26Å; F34-H59 HydrophobicContact CD1-CB 4.13Å; F34-H59 HydrophobicContact CE1-CB 3.79Å; F34-L60 HydrophobicContact CE1-CD2 4.02Å; F34-L60 HydrophobicContact CZ-CD2 3.78Å; F34-F63 HydrophobicContact CD1-CE2 4.04Å; F34-F63 HydrophobicContact CD1-CZ 4.21Å; F34-F63 AromaticContact CE1-CE2 3.52Å; F34-F63 HydrophobicContact CE1-CE2 3.52Å; F34-F63 HydrophobicContact CE1-CZ 4.13Å; F34-F63 HydrophobicContact CZ-CE2 4.03Å
35A91.5Very high89Confident0 Ų033.1 Ų33.10%018%0.177CC..Hα-helixtrans-61.2-49.217500000111.1M31 T32 T38 I39 L62 F208 P214M31-A35 VanDerWaalsContact O-CB 3.24Å; M31-A35 WeakPolarHBondContact O-CB 3.39Å; M31-A35 PolarHBondContact O-N 2.94Å; T32-A35 PolarHBondContact O-N 3.3Å; A35-T38 PolarHBondContact O-N 3.02Å; A35-I39 VanDerWaalsContact O-CD1 3.29Å; A35-I39 WeakPolarHBondContact O-CD1 3.49Å; A35-I39 WeakPolarHBondContact O-CG1 3.46Å; A35-I39 PolarHBondContact O-N 2.87Å; A35-L62 HydrophobicContact CB-CD2 3.68Å; A35-F208 HydrophobicContact CB-CE2 3.94Å; A35-F208 HydrophobicContact CB-CZ 4.22Å; A35-P214 HydrophobicContact CB-CB 4.14Å; A35-P214 HydrophobicContact CB-CG 4.09Å
36L91.7Very high90.1Very high23 Ų2332.3 Ų32.312%0.1217%0.169CC..Hα-helixtrans-59.8-49.3178-74.7171.2000111.7T32 V33 T38 I39 V40 F208T32-L36 HydrophobicContact CG2-CD1 4.15Å; T32-L36 WeakPolarHBondContact O-CB 3.45Å; T32-L36 WeakPolarHBondContact O-CG 3.38Å; T32-L36 PolarHBondContact O-N 3.13Å; V33-L36 PolarHBondContact O-N 2.78Å; L36-T38 VanDerWaalsContact C-N 3.29Å; L36-T38 PolarHBondContact O-N 3.12Å; L36-I39 PolarHBondContact O-N 2.88Å; L36-V40 WeakPolarHBondContact O-CG1 3.45Å; L36-V40 WeakPolarHBondContact O-CG2 3.28Å; L36-V40 PolarHBondContact O-N 3.13Å; L36-V40 VanDerWaalsContact O-N 3.08Å; L36-F208 HydrophobicContact CD1-CD2 4.36Å; L36-F208 HydrophobicContact CD2-CD2 3.48Å; L36-F208 VanDerWaalsContact CD2-CD2 3.48Å; L36-F208 HydrophobicContact CD2-CE2 3.64Å; L36-F208 HydrophobicContact CG-CD2 3.64Å; L36-F208 HydrophobicContact CG-CE2 3.89Å
37S93Very high90.8Very high3 Ų332.8 Ų32.82%0.02117%0.169CC..Hα-helixtrans-60.1-41.3-178.475.30000111.6T17 V33 F34 S41 Q44T17-S37 VanDerWaalsContact CG2-CB 3.5Å; V33-S37 WeakPolarHBondContact O-CB 3.29Å; V33-S37 PolarHBondContact O-N 2.83Å; V33-S37 PolarHBondContact O-OG 3.13Å; F34-S37 PolarHBondContact O-OG 3.48Å; S37-S41 WeakPolarHBondContact O-CB 3.44Å; S37-S41 PolarHBondContact O-N 3.02Å; S37-S41 PolarHBondContact O-OG 3.03Å; S37-Q44 PolarHBondContact O-OE1 3.3Å; S37-Q44 PolarHBondContact OG-OE1 2.92Å
38T93.1Very high91.4Very high4 Ų428 Ų283%0.02515%0.152CC..Hα-helixtrans-70-42-178.3-55.50000111.7F34 A35 L36 V40 S41 Q44 F63 F81 F133F34-T38 WeakPolarHBondContact O-CB 3.45Å; F34-T38 PolarHBondContact O-N 3.48Å; F34-T38 PolarHBondContact O-OG1 3.07Å; A35-T38 PolarHBondContact O-N 3.02Å; L36-T38 VanDerWaalsContact C-N 3.29Å; L36-T38 PolarHBondContact O-N 3.12Å; T38-V40 PolarHBondContact O-N 2.83Å; T38-S41 PolarHBondContact O-OG 2.89Å; T38-Q44 HydrophobicContact CG2-CB 4.41Å; T38-Q44 HydrophobicContact CG2-CG 4.28Å; T38-F63 HydrophobicContact CG2-CD1 4.18Å; T38-F63 HydrophobicContact CG2-CD2 4.24Å; T38-F63 HydrophobicContact CG2-CE1 3.73Å; T38-F63 HydrophobicContact CG2-CE2 3.81Å; T38-F63 HydrophobicContact CG2-CG 4.42Å; T38-F63 HydrophobicContact CG2-CZ 3.54Å; T38-F63 WeakPolarHBondContact OG1-CZ 3.39Å; T38-F81 HydrophobicContact CG2-CD1 4.4Å; T38-F133 HydrophobicContact CG2-CE1 4.27Å; T38-F133 HydrophobicContact CG2-CZ 4.26Å
39I92.8Very high91.9Very high6 Ų629.9 Ų29.93%0.03117%0.166CC..Hα-helixtrans-68.1-37.6-179.1-64.6160.5000111A35 L36 F63 F81 K185 Y204 F208 I219A35-I39 VanDerWaalsContact O-CD1 3.29Å; A35-I39 WeakPolarHBondContact O-CD1 3.49Å; A35-I39 WeakPolarHBondContact O-CG1 3.46Å; A35-I39 PolarHBondContact O-N 2.87Å; L36-I39 PolarHBondContact O-N 2.88Å; I39-F63 HydrophobicContact CG1-CE1 4.41Å; I39-F81 HydrophobicContact CG1-CE1 4.24Å; I39-K185 WeakPolarHBondContact O-CE 3.34Å; I39-K185 PolarHBondContact O-NZ 3.19Å; I39-Y204 HydrophobicContact CG2-CD1 4.13Å; I39-Y204 HydrophobicContact CG2-CD2 3.83Å; I39-Y204 HydrophobicContact CG2-CE1 3.76Å; I39-Y204 HydrophobicContact CG2-CE2 3.4Å; I39-Y204 VanDerWaalsContact CG2-CE2 3.4Å; I39-Y204 HydrophobicContact CG2-CG 4.18Å; I39-F208 HydrophobicContact CD1-CE2 3.92Å; I39-F208 HydrophobicContact CD1-CZ 3.65Å; I39-I219 HydrophobicContact CD1-CD1 3.6Å; I39-I219 HydrophobicContact CD1-CG1 3.71Å; I39-I219 HydrophobicContact CD1-CG2 4.03Å; I39-I219 HydrophobicContact CG1-CD1 4.39Å; I39-I219 HydrophobicContact CG1-CG2 4.49Å
40V92.6Very high92.4Very high10 Ų1028 Ų286%0.06116%0.16CC..Hα-helixtrans-86.7-23.9-175.9-57.10000113.8M15 L36 T38 F201 Y204M15-V40 HydrophobicContact CE-CG2 3.52Å; M15-V40 HydrophobicContact SD-CG2 4.01Å; L36-V40 WeakPolarHBondContact O-CG1 3.45Å; L36-V40 WeakPolarHBondContact O-CG2 3.28Å; L36-V40 PolarHBondContact O-N 3.13Å; L36-V40 VanDerWaalsContact O-N 3.08Å; T38-V40 PolarHBondContact O-N 2.83Å; V40-F201 HydrophobicContact CG1-CD2 4.1Å; V40-Y204 HydrophobicContact CG1-CD2 3.93Å; V40-Y204 HydrophobicContact CG1-CE2 4.36Å
41S94.4Very high93Very high25 Ų2531.2 Ų31.218%0.17518%0.177CC..  trans-79.6147.1-179.461.60000112.5S37 T38 Q44 K185S37-S41 WeakPolarHBondContact O-CB 3.44Å; S37-S41 PolarHBondContact O-N 3.02Å; S37-S41 PolarHBondContact O-OG 3.03Å; T38-S41 PolarHBondContact O-OG 2.89Å; S41-Q44 PolarHBondContact OG-OE1 2.84Å; S41-K185 WeakPolarHBondContact O-CD 3.09Å; S41-K185 WeakPolarHBondContact O-CE 3.43Å; S41-K185 PolarHBondContact O-NZ 3.13Å
42S95.1Very high93.4Very high33 Ų3331 Ų3123%0.23118%0.176CC..SBendtrans-84.6-28164.951.10000111.6Q82 Q83S42-Q82 VanDerWaalsContact O-CB 3.27Å; S42-Q82 WeakPolarHBondContact O-CB 3.47Å; S42-Q83 PolarHBondContact O-N 3.48Å; S42-Q83 VanDerWaalsContact O-N 3.11Å
43V95.4Very high93.5Very high36 Ų3635.5 Ų35.522%0.21820%0.195CC..EExtended strand (participates in β ladder)trans-129.5110.9174.5-174.30000107.9I45 Q83 V85V43-I45 HydrophobicContact CG1-CG1 4.36Å; V43-Q83 HydrophobicContact CG1-CB 4.48Å; V43-Q83 HydrophobicContact CG1-CG 4.46Å; V43-Q83 HydrophobicContact CG2-CB 4.33Å; V43-Q83 VanDerWaalsContact CG2-OE1 3.31Å; V43-V85 HydrophobicContact CG1-CG2 3.92Å
44Q96Very high93.5Very high16 Ų1636.6 Ų36.68%0.07520%0.196CC..EExtended strand (participates in β ladder)trans-96.1110.8173.5179.360.251.500108.7S37 T38 S41 Y46 Q83 L84 V85S37-Q44 PolarHBondContact O-OE1 3.3Å; S37-Q44 PolarHBondContact OG-OE1 2.92Å; T38-Q44 HydrophobicContact CG2-CB 4.41Å; T38-Q44 HydrophobicContact CG2-CG 4.28Å; S41-Q44 PolarHBondContact OG-OE1 2.84Å; Q44-Y46 PolarHBondContact O-N 2.99Å; Q44-Q83 PolarHBondContact N-O 3.37Å; Q44-L84 HydrophobicContact CB-CD1 4.19Å; Q44-L84 HydrophobicContact CG-CD1 4Å; Q44-V85 PolarHBondContact O-N 3.15Å
45I96Very high93.3Very high70 Ų7039.8 Ų39.836%0.35921%0.214SC..EExtended strand (participates in β ladder)trans-87.7111171.2-56.9175.2000107.7V43 N47 V85 C87 L176V43-I45 HydrophobicContact CG1-CG1 4.36Å; I45-N47 PolarHBondContact O-N 2.85Å; I45-V85 CarbonylContact C-O 3.59Å; I45-V85 WeakPolarHBondContact CA-O 3.49Å; I45-V85 HydrophobicContact CG1-CB 4.37Å; I45-C87 HydrophobicContact CG2-CB 3.73Å; I45-L176 HydrophobicContact CD1-CD1 3.94Å; I45-L176 HydrophobicContact CG1-CD1 4.45Å
46Y95.7Very high93.2Very high16 Ų1640.1 Ų40.16%0.06322%0.216CC..EExtended strand (participates in β ladder)trans-93.196.5174.2-166.9-167.5000109.6F34 Q44 V48 A56 H59 V85 F86 C87F34-Y46 HydrophobicContact CE2-CD1 4.47Å; F34-Y46 AromaticContact CE2-CD2 3.89Å; F34-Y46 HydrophobicContact CE2-CD2 3.89Å; F34-Y46 HydrophobicContact CE2-CE2 4.01Å; F34-Y46 HydrophobicContact CE2-CG 4.13Å; F34-Y46 HydrophobicContact CZ-CD1 4.13Å; F34-Y46 HydrophobicContact CZ-CD2 4.28Å; F34-Y46 HydrophobicContact CZ-CE1 4.02Å; F34-Y46 HydrophobicContact CZ-CE2 4.17Å; F34-Y46 HydrophobicContact CZ-CG 4.26Å; Q44-Y46 PolarHBondContact O-N 2.99Å; Y46-V48 HydrophobicContact CD2-CG1 4.3Å; Y46-V48 HydrophobicContact CE2-CG1 4.25Å; Y46-V48 HydrophobicContact CG-CG1 4.48Å; Y46-V48 PolarHBondContact O-N 3.42Å; Y46-A56 HydrophobicContact CE1-CB 4.06Å; Y46-A56 WeakPolarHBondContact CE1-O 3.36Å; Y46-A56 VanDerWaalsContact OH-CA 3.29Å; Y46-A56 WeakPolarHBondContact OH-CA 3.4Å; Y46-A56 PolarHBondContact OH-O 3.49Å; Y46-H59 PolarHBondContact OH-ND1 3.13Å; Y46-V85 PolarHBondContact N-O 2.88Å; Y46-F86 AromaticContact CD1-CD1 3.94Å; Y46-F86 HydrophobicContact CD1-CD1 3.94Å; Y46-F86 AromaticContact CD1-CE1 3.55Å; Y46-F86 HydrophobicContact CD1-CE1 3.55Å; Y46-F86 HydrophobicContact CD1-CZ 4.37Å; Y46-F86 HydrophobicContact CE1-CE1 4.09Å; Y46-C87 PolarHBondContact O-N 2.75Å
47N93.8Very high93.2Very high80 Ų8039.1 Ų39.143%0.42821%0.211SC..EExtended strand (participates in β ladder)trans-83.9110.6-176.7178.493.9000110.7I45 C87 R89I45-N47 PolarHBondContact O-N 2.85Å; N47-C87 WeakPolarHBondContact CA-O 3.5Å; N47-R89 WeakPolarHBondContact OD1-CD 3.04Å; N47-R89 WeakPolarHBondContact OD1-CG 3.29Å
48V94.4Very high92.9Very high16 Ų1643.4 Ų43.410%0.09723%0.231CC..EExtended strand (participates in β ladder)trans-114.6159.2176.6-60.40000110.2Y46 I52 A56 C87 V88 R89Y46-V48 HydrophobicContact CD2-CG1 4.3Å; Y46-V48 HydrophobicContact CE2-CG1 4.25Å; Y46-V48 HydrophobicContact CG-CG1 4.48Å; Y46-V48 PolarHBondContact O-N 3.42Å; V48-I52 HydrophobicContact CG2-CG1 4.02Å; V48-A56 HydrophobicContact CG1-CB 4.3Å; V48-C87 PolarHBondContact N-O 2.96Å; V48-C87 VanDerWaalsContact O-O 3.14Å; V48-V88 HydrophobicContact CG2-CB 4.19Å; V48-V88 HydrophobicContact CG2-CG1 4.26Å; V48-V88 HydrophobicContact CG2-CG2 3.81Å; V48-R89 WeakPolarHBondContact O-CB 3.39Å; V48-R89 PolarHBondContact O-N 2.94Å
49V93.1Very high92.7Very high84 Ų8443.4 Ų43.451%0.50923%0.231SC..EExtended strand (participates in β ladder)trans-114.2140-179.2-1790000109.5N51 R89V49-N51 PolarHBondContact O-N 3.4Å; V49-R89 HydrophobicContact CG2-CB 4.33Å
50D93.6Very high92.7Very high63 Ų6343.1 Ų43.134%0.33723%0.229SC..SBendtrans64.3-51.8-178.3-71.9-29.7000114.8R89 K92D50-R89 WeakPolarHBondContact CA-O 3.21Å; D50-R89 PolarHBondContact N-O 3.02Å; D50-K92 WeakPolarHBondContact OD1-CE 3.37Å; D50-K92 IonicContact OD1-NZ 3.87Å; D50-K92 PolarHBondContact OD1-NZ 3.24Å; D50-K92 IonicContact OD2-NZ 2.78Å; D50-K92 PolarHBondContact OD2-NZ 2.96Å
51N95Very high92.7Very high71 Ų7145.3 Ų45.338%0.3825%0.245SC..SBendtrans-153.8164.3-172-158.59.1000112.4V49 F107V49-N51 PolarHBondContact O-N 3.4Å; N51-F107 WeakPolarHBondContact OD1-CZ 3.28Å
52I94.9Very high92.6Very high9 Ų944.7 Ų44.75%0.04624%0.24CC..  trans-88.3105164.9-58.6171.7000107.5V48 A56 L57 F86 V88 F107 L108 V111V48-I52 HydrophobicContact CG2-CG1 4.02Å; I52-A56 HydrophobicContact CG2-CB 4.49Å; I52-L57 HydrophobicContact CG2-CD2 3.85Å; I52-L57 HydrophobicContact CG2-CG 4.08Å; I52-F86 HydrophobicContact CD1-CB 3.9Å; I52-F86 HydrophobicContact CD1-CD1 3.61Å; I52-F86 HydrophobicContact CD1-CD2 4.32Å; I52-F86 HydrophobicContact CD1-CE1 4.14Å; I52-F86 HydrophobicContact CD1-CG 3.69Å; I52-F86 HydrophobicContact CG1-CD1 3.96Å; I52-F86 HydrophobicContact CG1-CE1 4.45Å; I52-F86 HydrophobicContact CG1-CG 4.47Å; I52-F86 HydrophobicContact CG2-CD1 4.39Å; I52-F86 HydrophobicContact CG2-CE1 4.05Å; I52-V88 HydrophobicContact CD1-CG2 4.2Å; I52-V88 HydrophobicContact CG1-CG2 3.88Å; I52-F107 HydrophobicContact CB-CE1 4.46Å; I52-F107 HydrophobicContact CD1-CD1 4.48Å; I52-F107 HydrophobicContact CD1-CE1 3.78Å; I52-F107 HydrophobicContact CG1-CE1 3.97Å; I52-L108 HydrophobicContact CD1-CD1 3.9Å; I52-V111 HydrophobicContact CB-CG1 4.13Å; I52-V111 HydrophobicContact CB-CG2 4.49Å; I52-V111 HydrophobicContact CG2-CG1 3.96Å
53Q92.1Very high92.5Very high115 Ų11543.1 Ų43.154%0.53723%0.229SC..  trans-89165.7-179.7-67.5-170.4-4.900112D55 A56 L57Q53-D55 VanDerWaalsContact C-N 3.32Å; Q53-D55 WeakPolarHBondContact CB-OD1 3.41Å; Q53-D55 PolarHBondContact O-N 3.25Å; Q53-A56 VanDerWaalsContact O-CB 3.32Å; Q53-A56 WeakPolarHBondContact O-CB 3.38Å; Q53-A56 PolarHBondContact O-N 2.81Å; Q53-A56 VanDerWaalsContact O-N 3.12Å; Q53-L57 PolarHBondContact O-N 3.3Å
54E88.8Confident92.3Very high80 Ų8041.8 Ų41.837%0.37422%0.22SC..Hα-helixtrans-63.5-36.2-177.5-62.5-61.5163.600112.9A56 L57 Q58 R126E54-A56 VanDerWaalsContact C-N 3.27Å; E54-A56 PolarHBondContact O-N 2.82Å; E54-L57 PolarHBondContact O-N 3.1Å; E54-Q58 WeakPolarHBondContact O-CG 3.42Å; E54-Q58 PolarHBondContact O-N 3.08Å; E54-R126 IonicContact OE1-CZ 3.83Å; E54-R126 IonicContact OE1-NH2 2.77Å; E54-R126 PolarHBondContact OE1-NH2 3.33Å; E54-R126 IonicContact OE2-CZ 2.77Å; E54-R126 IonicContact OE2-NH2 3.09Å; E54-R126 PolarHBondContact OE2-NH2 3.22Å
55D87.2Confident92.1Very high76 Ų7645.6 Ų45.641%0.40624%0.238SC..Hα-helixtrans-60.4-39.6173.865.3-39.5000111.1Q53 L57 Q58 H59Q53-D55 VanDerWaalsContact C-N 3.32Å; Q53-D55 WeakPolarHBondContact CB-OD1 3.41Å; Q53-D55 PolarHBondContact O-N 3.25Å; D55-L57 VanDerWaalsContact C-N 3.32Å; D55-L57 PolarHBondContact O-N 2.91Å; D55-Q58 WeakPolarHBondContact O-CB 3.45Å; D55-Q58 PolarHBondContact O-N 3.13Å; D55-H59 PolarHBondContact O-CD2 3.16Å; D55-H59 VanDerWaalsContact O-CD2 3.31Å; D55-H59 PolarHBondContact O-CE1 3.21Å; D55-H59 VanDerWaalsContact O-CG 3.28Å; D55-H59 PolarHBondContact O-N 2.89Å; D55-H59 VanDerWaalsContact O-N 3.07Å; D55-H59 PolarHBondContact O-ND1 3.35Å; D55-H59 PolarHBondContact O-NE2 2.83Å
56A88.9Confident91.9Very high6 Ų642.8 Ų42.85%0.0522%0.223CC..Hα-helixtrans-61.9-40.5175.900000111.7Y46 V48 I52 Q53 E54Y46-A56 HydrophobicContact CE1-CB 4.06Å; Y46-A56 WeakPolarHBondContact CE1-O 3.36Å; Y46-A56 VanDerWaalsContact OH-CA 3.29Å; Y46-A56 WeakPolarHBondContact OH-CA 3.4Å; Y46-A56 PolarHBondContact OH-O 3.49Å; V48-A56 HydrophobicContact CG1-CB 4.3Å; I52-A56 HydrophobicContact CG2-CB 4.49Å; Q53-A56 VanDerWaalsContact O-CB 3.32Å; Q53-A56 WeakPolarHBondContact O-CB 3.38Å; Q53-A56 PolarHBondContact O-N 2.81Å; Q53-A56 VanDerWaalsContact O-N 3.12Å; E54-A56 VanDerWaalsContact C-N 3.27Å; E54-A56 PolarHBondContact O-N 2.82Å
57L90.9Very high91.7Very high3 Ų342 Ų422%0.01622%0.22CC..Hα-helixtrans-70.1-38.7174.1-63.3-179.8000112I52 Q53 E54 D55 H59 L60 F86 V111 L112 V125 R126I52-L57 HydrophobicContact CG2-CD2 3.85Å; I52-L57 HydrophobicContact CG2-CG 4.08Å; Q53-L57 PolarHBondContact O-N 3.3Å; E54-L57 PolarHBondContact O-N 3.1Å; D55-L57 VanDerWaalsContact C-N 3.32Å; D55-L57 PolarHBondContact O-N 2.91Å; L57-H59 PolarHBondContact O-N 3.13Å; L57-L60 HydrophobicContact CD2-CD1 4.32Å; L57-L60 WeakPolarHBondContact O-CA 3.06Å; L57-L60 VanDerWaalsContact O-CB 3.3Å; L57-L60 WeakPolarHBondContact O-CB 3.42Å; L57-L60 PolarHBondContact O-N 3.08Å; L57-F86 HydrophobicContact CD2-CZ 4.23Å; L57-V111 HydrophobicContact CD1-CG1 4.08Å; L57-L112 HydrophobicContact CD2-CD2 4.26Å; L57-V125 HydrophobicContact CB-CG1 4.5Å; L57-R126 HydrophobicContact CD1-CG 4.44Å
58Q88.1Confident91.6Very high92 Ų9243.1 Ų43.143%0.4322%0.218SC..Hα-helixtrans-59.2-34.1176.6-77.3177.9-8.400112.3E54 D55 L60 S61E54-Q58 WeakPolarHBondContact O-CG 3.42Å; E54-Q58 PolarHBondContact O-N 3.08Å; D55-Q58 WeakPolarHBondContact O-CB 3.45Å; D55-Q58 PolarHBondContact O-N 3.13Å; Q58-L60 PolarHBondContact O-N 3.1Å; Q58-L60 VanDerWaalsContact O-N 3.15Å; Q58-S61 VanDerWaalsContact O-CB 3.23Å; Q58-S61 WeakPolarHBondContact O-CB 3.45Å; Q58-S61 PolarHBondContact O-N 2.77Å; Q58-S61 PolarHBondContact O-OG 3.38Å
59H88.8Confident91.4Very high5 Ų543.4 Ų43.42%0.02322%0.219CC..THydrogen-bonded Turntrans-60.5-22.6173.6-59.1156.3000113.4F21 Y27 M31 F34 Y46 D55 L57F21-H59 AromaticContact CE1-CE1 3.86Å; F21-H59 AromaticContact CE1-NE2 3.97Å; F21-H59 AromaticContact CE2-CE1 3.44Å; F21-H59 VanDerWaalsContact CE2-CE1 3.44Å; F21-H59 WeakPolarHBondContact CE2-CE1 3.03Å; F21-H59 AromaticContact CE2-ND1 3.77Å; F21-H59 AromaticContact CZ-CE1 3.08Å; F21-H59 WeakPolarHBondContact CZ-CE1 3.46Å; F21-H59 AromaticContact CZ-ND1 3.59Å; F21-H59 AromaticContact CZ-NE2 3.52Å; Y27-H59 AromaticContact CE2-NE2 3.46Å; Y27-H59 WeakPolarHBondContact CE2-NE2 3.42Å; Y27-H59 AromaticContact CZ-NE2 3.71Å; Y27-H59 PolarHBondContact OH-CD2 3.48Å; Y27-H59 PolarHBondContact OH-NE2 2.82Å; Y27-H59 VanDerWaalsContact OH-NE2 3.14Å; M31-H59 HydrophobicContact CE-CB 3.89Å; M31-H59 HydrophobicContact SD-CB 3.84Å; M31-H59 PolarHBondContact SD-CD2 3.08Å; M31-H59 VanDerWaalsContact SD-CG 3.57Å; F34-H59 HydrophobicContact CD1-CB 4.13Å; F34-H59 HydrophobicContact CE1-CB 3.79Å; Y46-H59 PolarHBondContact OH-ND1 3.13Å; D55-H59 PolarHBondContact O-CD2 3.16Å; D55-H59 VanDerWaalsContact O-CD2 3.31Å; D55-H59 PolarHBondContact O-CE1 3.21Å; D55-H59 VanDerWaalsContact O-CG 3.28Å; D55-H59 PolarHBondContact O-N 2.89Å; D55-H59 VanDerWaalsContact O-N 3.07Å; D55-H59 PolarHBondContact O-ND1 3.35Å; D55-H59 PolarHBondContact O-NE2 2.83Å; L57-H59 PolarHBondContact O-N 3.13Å
60L92.7Very high91.1Very high0 Ų040.2 Ų40.20%020%0.202CC..THydrogen-bonded Turntrans-85.4-10.4178.6-57.3170.7000113.3F34 L57 Q58 L62 F63 V64 L84 F86 V125 L129F34-L60 HydrophobicContact CE1-CD2 4.02Å; F34-L60 HydrophobicContact CZ-CD2 3.78Å; L57-L60 HydrophobicContact CD2-CD1 4.32Å; L57-L60 WeakPolarHBondContact O-CA 3.06Å; L57-L60 VanDerWaalsContact O-CB 3.3Å; L57-L60 WeakPolarHBondContact O-CB 3.42Å; L57-L60 PolarHBondContact O-N 3.08Å; Q58-L60 PolarHBondContact O-N 3.1Å; Q58-L60 VanDerWaalsContact O-N 3.15Å; L60-L62 VanDerWaalsContact C-N 3.27Å; L60-L62 PolarHBondContact O-N 3.25Å; L60-F63 HydrophobicContact CB-CD2 4.42Å; L60-F63 HydrophobicContact CD2-CD2 3.83Å; L60-F63 HydrophobicContact CD2-CE2 4Å; L60-F63 PolarHBondContact O-N 2.9Å; L60-V64 PolarHBondContact O-N 2.92Å; L60-L84 HydrophobicContact CD1-CD2 4.04Å; L60-L84 HydrophobicContact CD2-CD2 4.02Å; L60-F86 HydrophobicContact CD1-CE1 4.27Å; L60-F86 HydrophobicContact CD1-CZ 3.62Å; L60-V125 HydrophobicContact CB-CG1 4.29Å; L60-L129 HydrophobicContact CB-CD1 3.87Å; L60-L129 HydrophobicContact CD1-CD1 3.98Å; L60-L129 HydrophobicContact CD1-CD2 3.91Å; L60-L129 HydrophobicContact CG-CD1 4.42Å
61S91.8Very high90.7Very high55 Ų5540.6 Ų40.639%0.38520%0.202SC..Hα-helixtrans-52.8-42.8177.960.20000112.9Q58 F63 V64 E65Q58-S61 VanDerWaalsContact O-CB 3.23Å; Q58-S61 WeakPolarHBondContact O-CB 3.45Å; Q58-S61 PolarHBondContact O-N 2.77Å; Q58-S61 PolarHBondContact O-OG 3.38Å; S61-F63 PolarHBondContact O-N 2.99Å; S61-V64 PolarHBondContact O-N 3.4Å; S61-V64 VanDerWaalsContact O-N 3.13Å; S61-E65 WeakPolarHBondContact O-CB 3.17Å; S61-E65 PolarHBondContact O-N 3.17Å
62L91.5Very high90.3Very high13 Ų1343 Ų437%0.06821%0.211CC..Hα-helixtrans-52.9-41.6176.4173.163.6000112.4A35 L60 Y66 P214 P216 I219A35-L62 HydrophobicContact CB-CD2 3.68Å; L60-L62 VanDerWaalsContact C-N 3.27Å; L60-L62 PolarHBondContact O-N 3.25Å; L62-Y66 VanDerWaalsContact O-CB 3.24Å; L62-Y66 WeakPolarHBondContact O-CB 3.36Å; L62-Y66 PolarHBondContact O-N 2.79Å; L62-P214 WeakPolarHBondContact CD1-O 3.32Å; L62-P214 HydrophobicContact CD2-CB 3.83Å; L62-P216 HydrophobicContact CD1-CG 3.91Å; L62-I219 HydrophobicContact CD1-CD1 4.29Å; L62-I219 HydrophobicContact CG-CD1 4.34Å
63F93.1Very high89.7Confident0 Ų044.7 Ų44.70%022%0.219CC..Hα-helixtrans-76.6-35.2-177.9-55.2-54.1000111.9F34 T38 I39 L60 S61 G67 F81 F133F34-F63 HydrophobicContact CD1-CE2 4.04Å; F34-F63 HydrophobicContact CD1-CZ 4.21Å; F34-F63 AromaticContact CE1-CE2 3.52Å; F34-F63 HydrophobicContact CE1-CE2 3.52Å; F34-F63 HydrophobicContact CE1-CZ 4.13Å; F34-F63 HydrophobicContact CZ-CE2 4.03Å; T38-F63 HydrophobicContact CG2-CD1 4.18Å; T38-F63 HydrophobicContact CG2-CD2 4.24Å; T38-F63 HydrophobicContact CG2-CE1 3.73Å; T38-F63 HydrophobicContact CG2-CE2 3.81Å; T38-F63 HydrophobicContact CG2-CG 4.42Å; T38-F63 HydrophobicContact CG2-CZ 3.54Å; T38-F63 WeakPolarHBondContact OG1-CZ 3.39Å; I39-F63 HydrophobicContact CG1-CE1 4.41Å; L60-F63 HydrophobicContact CB-CD2 4.42Å; L60-F63 HydrophobicContact CD2-CD2 3.83Å; L60-F63 HydrophobicContact CD2-CE2 4Å; L60-F63 PolarHBondContact O-N 2.9Å; S61-F63 PolarHBondContact O-N 2.99Å; F63-G67 PolarHBondContact O-N 3.4Å; F63-F81 HydrophobicContact CB-CD2 4.29Å; F63-F81 HydrophobicContact CB-CE2 3.57Å; F63-F81 HydrophobicContact CB-CZ 3.77Å; F63-F81 AromaticContact CD1-CE1 3.85Å; F63-F81 HydrophobicContact CD1-CE1 3.85Å; F63-F81 HydrophobicContact CD1-CE2 4.22Å; F63-F81 AromaticContact CD1-CZ 3.52Å; F63-F81 HydrophobicContact CD1-CZ 3.52Å; F63-F81 HydrophobicContact CE1-CE1 4.49Å; F63-F81 HydrophobicContact CG-CE2 4.25Å; F63-F81 HydrophobicContact CG-CZ 4Å; F63-F81 WeakPolarHBondContact O-CE2 3.39Å; F63-F133 HydrophobicContact CB-CE2 4.21Å; F63-F133 HydrophobicContact CB-CZ 4.28Å; F63-F133 HydrophobicContact CD2-CZ 4.39Å; F63-F133 HydrophobicContact CG-CZ 4.42Å
64V92.7Very high88.8Confident8 Ų845 Ų455%0.04823%0.231CC..Hα-helixtrans-64.4-46.1174.3168.20000110.4L60 S61 G67 R68 V125 L128 L129 Y132L60-V64 PolarHBondContact O-N 2.92Å; S61-V64 PolarHBondContact O-N 3.4Å; S61-V64 VanDerWaalsContact O-N 3.13Å; V64-G67 PolarHBondContact O-N 2.78Å; V64-R68 PolarHBondContact O-N 2.79Å; V64-V125 HydrophobicContact CG2-CG1 4.43Å; V64-V125 HydrophobicContact CG2-CG2 4.45Å; V64-L128 HydrophobicContact CG1-CB 3.77Å; V64-L128 HydrophobicContact CG1-CD1 3.88Å; V64-L128 HydrophobicContact CG1-CG 4.46Å; V64-L129 HydrophobicContact CG2-CD1 3.97Å; V64-Y132 HydrophobicContact CB-CD2 4.39Å; V64-Y132 HydrophobicContact CB-CE2 4.42Å; V64-Y132 HydrophobicContact CG1-CD2 4.41Å; V64-Y132 HydrophobicContact CG1-CE2 4Å; V64-Y132 HydrophobicContact CG2-CD2 4.43Å; V64-Y132 WeakPolarHBondContact O-CE2 3.27Å
65E91.8Very high88.1Confident96 Ų9646 Ų4645%0.44924%0.235SC..Hα-helixtrans-68.5-39.9179.1-158.7174.6-154.600111.7S61 R68 I69 P216S61-E65 WeakPolarHBondContact O-CB 3.17Å; S61-E65 PolarHBondContact O-N 3.17Å; E65-R68 PolarHBondContact O-N 2.87Å; E65-I69 PolarHBondContact O-N 2.83Å; E65-P216 HydrophobicContact CB-CG 3.78Å; E65-P216 HydrophobicContact CG-CG 3.82Å; E65-P216 WeakPolarHBondContact OE2-CG 3.49Å
66Y91.9Very high87.5Confident11 Ų1147.1 Ų47.14%0.04324%0.241CC..Hα-helixtrans-61.4-43.8170.2173.9-104.5000112.6L62 R68 I69 A70 P80 F81 P216 I219 L220 N223L62-Y66 VanDerWaalsContact O-CB 3.24Å; L62-Y66 WeakPolarHBondContact O-CB 3.36Å; L62-Y66 PolarHBondContact O-N 2.79Å; Y66-R68 VanDerWaalsContact C-N 3.29Å; Y66-R68 PolarHBondContact O-N 2.8Å; Y66-I69 HydrophobicContact CD2-CD1 4.05Å; Y66-I69 HydrophobicContact CD2-CG1 4.15Å; Y66-I69 WeakPolarHBondContact O-CG1 3.43Å; Y66-I69 PolarHBondContact O-N 2.81Å; Y66-A70 HydrophobicContact CE1-CB 4.23Å; Y66-A70 HydrophobicContact CE2-CB 4.29Å; Y66-A70 VanDerWaalsContact O-CB 3.26Å; Y66-A70 WeakPolarHBondContact O-CB 3.23Å; Y66-A70 PolarHBondContact O-N 3.22Å; Y66-P80 HydrophobicContact CD1-CB 4.12Å; Y66-P80 HydrophobicContact CE1-CB 3.58Å; Y66-P80 HydrophobicContact CE1-CG 4.4Å; Y66-F81 HydrophobicContact CD1-CE1 4.35Å; Y66-F81 AromaticContact CD1-CE2 3.87Å; Y66-F81 HydrophobicContact CD1-CE2 3.87Å; Y66-F81 AromaticContact CD1-CZ 3.43Å; Y66-F81 HydrophobicContact CD1-CZ 3.43Å; Y66-F81 VanDerWaalsContact CD1-CZ 3.43Å; Y66-F81 HydrophobicContact CE1-CZ 4.03Å; Y66-F81 HydrophobicContact CG-CZ 4.43Å; Y66-P216 WeakPolarHBondContact CD2-O 3.17Å; Y66-I219 HydrophobicContact CD1-CG2 4.23Å; Y66-I219 HydrophobicContact CD2-CB 3.58Å; Y66-I219 HydrophobicContact CD2-CD1 4.25Å; Y66-I219 HydrophobicContact CD2-CG1 4.47Å; Y66-I219 HydrophobicContact CD2-CG2 3.69Å; Y66-I219 HydrophobicContact CE1-CG2 3.95Å; Y66-I219 HydrophobicContact CE2-CB 3.67Å; Y66-I219 HydrophobicContact CE2-CG2 3.41Å; Y66-I219 VanDerWaalsContact CE2-CG2 3.41Å; Y66-I219 HydrophobicContact CG-CB 4.21Å; Y66-I219 HydrophobicContact CG-CD1 4.07Å; Y66-I219 HydrophobicContact CG-CG2 4.1Å; Y66-L220 HydrophobicContact CE2-CB 4.06Å; Y66-N223 PolarHBondContact OH-ND2 3.23Å
67G91.4Very high87.1Confident0 Ų050 Ų500%025%0.253CS..Hα-helixtrans-61-41.1179.300000112F63 V64 A70 M71 Y132F63-G67 PolarHBondContact O-N 3.4Å; V64-G67 PolarHBondContact O-N 2.78Å; G67-A70 PolarHBondContact O-N 2.91Å; G67-M71 WeakPolarHBondContact O-CG 3.3Å; G67-M71 PolarHBondContact O-N 3.13Å; G67-Y132 VanDerWaalsContact CA-CD1 3.49Å; G67-Y132 WeakPolarHBondContact O-CE1 3.1Å
68R90.8Very high86.8Confident102 Ų10251.8 Ų51.839%0.38527%0.272SS..Hα-helixtrans-57.8-54.5174.8-168.7179.96682.5-3.1111.7V64 E65 Y66 A70 M71 E72 Y132V64-R68 PolarHBondContact O-N 2.79Å; E65-R68 PolarHBondContact O-N 2.87Å; Y66-R68 VanDerWaalsContact C-N 3.29Å; Y66-R68 PolarHBondContact O-N 2.8Å; R68-A70 VanDerWaalsContact C-N 3.26Å; R68-A70 PolarHBondContact O-N 2.95Å; R68-M71 PolarHBondContact O-N 2.7Å; R68-E72 WeakPolarHBondContact CG-OE1 3.13Å; R68-E72 IonicContact CZ-OE1 3.43Å; R68-E72 IonicContact NH1-OE1 3.97Å; R68-E72 PolarHBondContact NH1-OE1 3.16Å; R68-E72 IonicContact NH1-OE2 2.75Å; R68-E72 PolarHBondContact NH1-OE2 3.33Å; R68-E72 WeakPolarHBondContact O-CG 3.39Å; R68-E72 PolarHBondContact O-N 3.18Å; R68-Y132 VanDerWaalsContact CA-OH 3.24Å; R68-Y132 WeakPolarHBondContact CA-OH 3.49Å; R68-Y132 WeakPolarHBondContact CB-OH 3.35Å; R68-Y132 VanDerWaalsContact N-CZ 3.27Å; R68-Y132 PolarHBondContact N-OH 2.94Å
69I90.2Very high86.9Confident22 Ų2251.2 Ų51.211%0.11327%0.268CS..Hα-helixtrans-65.7-29.8-178.665.7172.4000112.7E65 Y66 Q73 P216 L220E65-I69 PolarHBondContact O-N 2.83Å; Y66-I69 HydrophobicContact CD2-CD1 4.05Å; Y66-I69 HydrophobicContact CD2-CG1 4.15Å; Y66-I69 WeakPolarHBondContact O-CG1 3.43Å; Y66-I69 PolarHBondContact O-N 2.81Å; I69-Q73 WeakPolarHBondContact O-CG 3.47Å; I69-Q73 PolarHBondContact O-NE2 3.39Å; I69-P216 HydrophobicContact CD1-CB 3.64Å; I69-P216 HydrophobicContact CG1-CB 4.49Å; I69-L220 HydrophobicContact CD1-CB 3.93Å; I69-L220 HydrophobicContact CD1-CD2 4Å; I69-L220 HydrophobicContact CG1-CD2 4.41Å
70A87.6Confident86.9Confident18 Ų1852.4 Ų52.415%0.14928%0.276CS..Hα-helixtrans-72.9-40.1178.600000111.6Y66 G67 R68 Q73Y66-A70 HydrophobicContact CE1-CB 4.23Å; Y66-A70 HydrophobicContact CE2-CB 4.29Å; Y66-A70 VanDerWaalsContact O-CB 3.26Å; Y66-A70 WeakPolarHBondContact O-CB 3.23Å; Y66-A70 PolarHBondContact O-N 3.22Å; G67-A70 PolarHBondContact O-N 2.91Å; R68-A70 VanDerWaalsContact C-N 3.26Å; R68-A70 PolarHBondContact O-N 2.95Å; A70-Q73 WeakPolarHBondContact O-CB 3.08Å; A70-Q73 PolarHBondContact O-N 3.3Å
71M85.5Confident86.9Confident70 Ų7052.6 Ų52.635%0.34528%0.277SS..Hα-helixtrans-75.7-25177.6-67.1-170.186.300113.1G67 R68 Q73 Y132G67-M71 WeakPolarHBondContact O-CG 3.3Å; G67-M71 PolarHBondContact O-N 3.13Å; R68-M71 PolarHBondContact O-N 2.7Å; M71-Q73 PolarHBondContact O-N 3.41Å; M71-Y132 HydrophobicContact CG-CD1 4.27Å; M71-Y132 HydrophobicContact CG-CE1 4.06Å; M71-Y132 HydrophobicContact SD-CD1 3.53Å; M71-Y132 VanDerWaalsContact SD-CD1 3.53Å; M71-Y132 HydrophobicContact SD-CE1 3.38Å; M71-Y132 WeakPolarHBondContact SD-CE1 3.2Å
72E86.1Confident87.1Confident122 Ų12250.3 Ų50.357%0.5726%0.26SS*.THydrogen-bonded Turntrans-72.1-12.6171.4-74.3172.4-172.600113.2R68R68-E72 WeakPolarHBondContact CG-OE1 3.13Å; R68-E72 IonicContact CZ-OE1 3.43Å; R68-E72 IonicContact NH1-OE1 3.97Å; R68-E72 PolarHBondContact NH1-OE1 3.16Å; R68-E72 IonicContact NH1-OE2 2.75Å; R68-E72 PolarHBondContact NH1-OE2 3.33Å; R68-E72 WeakPolarHBondContact O-CG 3.39Å; R68-E72 PolarHBondContact O-N 3.18Å
73Q82.1Confident87.3Confident45 Ų4550.8 Ų50.821%0.2126%0.262CS..SBendtrans-67.2145.2178-62.8-53.2-57.600111.5I69 A70 M71 H75 L220 I279I69-Q73 WeakPolarHBondContact O-CG 3.47Å; I69-Q73 PolarHBondContact O-NE2 3.39Å; A70-Q73 WeakPolarHBondContact O-CB 3.08Å; A70-Q73 PolarHBondContact O-N 3.3Å; M71-Q73 PolarHBondContact O-N 3.41Å; Q73-H75 PolarHBondContact O-N 3.29Å; Q73-L220 HydrophobicContact CG-CD1 4.05Å; Q73-I279 HydrophobicContact CG-CG2 4.2Å
74P72.8Confident87.5Confident122 Ų12250.8 Ų50.879%0.79226%0.262SS*.SBendtrans-59.3-22.6179.4-2130.5000113.9
75H74Confident87.7Confident100 Ų10050.4 Ų50.446%0.46326%0.26SS..SBendtrans-105.498.3174.2-124.649000108.6Q73 F77 P277 I279Q73-H75 PolarHBondContact O-N 3.29Å; H75-F77 HydrophobicContact CB-CE2 4.3Å; H75-F77 HydrophobicContact CB-CZ 4.15Å; H75-F77 AromaticContact CD2-CE1 3.66Å; H75-F77 AromaticContact CD2-CZ 3.7Å; H75-F77 PolarHBondContact O-N 3.46Å; H75-P277 HydrophobicContact CB-CB 4.34Å; H75-P277 VanDerWaalsContact CD2-CG 3.44Å; H75-P277 WeakPolarHBondContact CD2-CG 3.47Å; H75-I279 HydrophobicContact CB-CD1 4.2Å
76N74.1Confident88Confident99 Ų9945.9 Ų45.953%0.52924%0.239SC..  trans-81.2113.2176.2-174.8-9.3000109.5G78N76-G78 VanDerWaalsContact C-N 3.32Å; N76-G78 WeakPolarHBondContact OD1-CA 3.44Å; N76-G78 PolarHBondContact OD1-N 2.9Å
77F80.4Confident88.3Confident67 Ų6745.5 Ų45.529%0.29424%0.238SC..  trans-91.49177.3-62.8-69.4000113.8H75 N188 I227 P277 I279H75-F77 HydrophobicContact CB-CE2 4.3Å; H75-F77 HydrophobicContact CB-CZ 4.15Å; H75-F77 AromaticContact CD2-CE1 3.66Å; H75-F77 AromaticContact CD2-CZ 3.7Å; H75-F77 PolarHBondContact O-N 3.46Å; F77-N188 HydrophobicContact CD1-CB 4.24Å; F77-N188 WeakPolarHBondContact CD1-O 3.44Å; F77-N188 HydrophobicContact CD2-CB 4.13Å; F77-N188 HydrophobicContact CE1-CB 4.42Å; F77-N188 HydrophobicContact CE2-CB 4.29Å; F77-N188 HydrophobicContact CG-CB 4.09Å; F77-N188 HydrophobicContact CZ-CB 4.44Å; F77-I227 HydrophobicContact CE2-CD1 3.88Å; F77-I227 HydrophobicContact CZ-CD1 3.88Å; F77-P277 HydrophobicContact CZ-CB 4.43Å; F77-P277 HydrophobicContact CZ-CG 4.08Å; F77-I279 HydrophobicContact CE2-CD1 3.4Å; F77-I279 HydrophobicContact CZ-CD1 3.89Å
78G85.1Confident88.6Confident40 Ų4045.5 Ų45.541%0.41224%0.238SC..SBendtrans84.8-163.5-170.200000112.1N76N76-G78 VanDerWaalsContact C-N 3.32Å; N76-G78 WeakPolarHBondContact OD1-CA 3.44Å; N76-G78 PolarHBondContact OD1-N 2.9Å
79K90.2Very high88.9Confident81 Ų8144.4 Ų44.435%0.35223%0.233SC..  trans-63.6133.6179.9-64.8-166.6179.2-172.10110.5F81 R130 E131 F133 E134K79-F81 VanDerWaalsContact C-N 3.34Å; K79-F81 PolarHBondContact O-N 2.89Å; K79-R130 PolarHBondContact NZ-O 3.19Å; K79-E131 WeakPolarHBondContact CD-O 3.34Å; K79-E131 WeakPolarHBondContact CE-O 3.35Å; K79-E131 WeakPolarHBondContact CG-O 3.09Å; K79-F133 VanDerWaalsContact CD-O 3.22Å; K79-F133 WeakPolarHBondContact CD-O 3.44Å; K79-F133 PolarHBondContact NZ-O 2.88Å; K79-E134 HydrophobicContact CB-CG 4.31Å
80P89.3Confident89.1Confident29 Ų2945 Ų4519%0.18824%0.237CC..SBendtrans-70.5-27.1-176.425.5-35.4000114.2Y66 Y132Y66-P80 HydrophobicContact CD1-CB 4.12Å; Y66-P80 HydrophobicContact CE1-CB 3.58Å; Y66-P80 HydrophobicContact CE1-CG 4.4Å; P80-Y132 VanDerWaalsContact CD-O 3.3Å; P80-Y132 WeakPolarHBondContact CD-O 3.42Å
81F93.4Very high89.6Confident4 Ų444.6 Ų44.62%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-120.6149.7-175.9-51.5-71.5000110.9T38 I39 F63 Y66 K79 Y132 F133 E134T38-F81 HydrophobicContact CG2-CD1 4.4Å; I39-F81 HydrophobicContact CG1-CE1 4.24Å; F63-F81 HydrophobicContact CB-CD2 4.29Å; F63-F81 HydrophobicContact CB-CE2 3.57Å; F63-F81 HydrophobicContact CB-CZ 3.77Å; F63-F81 AromaticContact CD1-CE1 3.85Å; F63-F81 HydrophobicContact CD1-CE1 3.85Å; F63-F81 HydrophobicContact CD1-CE2 4.22Å; F63-F81 AromaticContact CD1-CZ 3.52Å; F63-F81 HydrophobicContact CD1-CZ 3.52Å; F63-F81 HydrophobicContact CE1-CE1 4.49Å; F63-F81 HydrophobicContact CG-CE2 4.25Å; F63-F81 HydrophobicContact CG-CZ 4Å; F63-F81 WeakPolarHBondContact O-CE2 3.39Å; Y66-F81 HydrophobicContact CD1-CE1 4.35Å; Y66-F81 AromaticContact CD1-CE2 3.87Å; Y66-F81 HydrophobicContact CD1-CE2 3.87Å; Y66-F81 AromaticContact CD1-CZ 3.43Å; Y66-F81 HydrophobicContact CD1-CZ 3.43Å; Y66-F81 VanDerWaalsContact CD1-CZ 3.43Å; Y66-F81 HydrophobicContact CE1-CZ 4.03Å; Y66-F81 HydrophobicContact CG-CZ 4.43Å; K79-F81 VanDerWaalsContact C-N 3.34Å; K79-F81 PolarHBondContact O-N 2.89Å; F81-Y132 PolarHBondContact N-O 3.41Å; F81-Y132 VanDerWaalsContact N-O 3.15Å; F81-F133 HydrophobicContact CB-CD1 3.33Å; F81-F133 HydrophobicContact CB-CD2 4.33Å; F81-F133 HydrophobicContact CB-CE1 3.36Å; F81-F133 HydrophobicContact CB-CE2 4.36Å; F81-F133 HydrophobicContact CB-CG 3.85Å; F81-F133 HydrophobicContact CB-CZ 3.91Å; F81-F133 HydrophobicContact CD1-CE1 4.47Å; F81-F133 HydrophobicContact CD2-CD2 4.27Å; F81-F133 HydrophobicContact CD2-CE1 4.22Å; F81-F133 AromaticContact CD2-CE2 3.89Å; F81-F133 HydrophobicContact CD2-CE2 3.89Å; F81-F133 AromaticContact CD2-CZ 3.86Å; F81-F133 HydrophobicContact CD2-CZ 3.86Å; F81-F133 HydrophobicContact CG-CD1 4.19Å; F81-F133 AromaticContact CG-CE1 3.79Å; F81-F133 HydrophobicContact CG-CE1 3.79Å; F81-F133 HydrophobicContact CG-CE2 4.3Å; F81-F133 AromaticContact CG-CZ 3.85Å; F81-F133 HydrophobicContact CG-CZ 3.85Å; F81-F133 WeakPolarHBondContact O-CA 3.28Å; F81-E134 PolarHBondContact O-N 2.85Å
82Q95.1Very high89.9Confident8 Ų848 Ų484%0.03725%0.245CC..EExtended strand (participates in β ladder)trans-91.1-91.9-178.6-67.9179.2-89.600109.8S42 E134 D135 P184S42-Q82 VanDerWaalsContact O-CB 3.27Å; S42-Q82 WeakPolarHBondContact O-CB 3.47Å; Q82-E134 WeakPolarHBondContact O-CA 3.37Å; Q82-E134 WeakPolarHBondContact O-CB 3.36Å; Q82-E134 PolarHBondContact O-N 3.04Å; Q82-D135 PolarHBondContact O-N 2.7Å; Q82-P184 PolarHBondContact NE2-O 3.22Å
83Q95.8Very high90.2Very high23 Ų2346.5 Ų46.511%0.10724%0.241CC..EExtended strand (participates in β ladder)trans-116.6130-173.1-166.3176.725.600112.4S42 V43 Q44 V85 D135 Q137S42-Q83 PolarHBondContact O-N 3.48Å; S42-Q83 VanDerWaalsContact O-N 3.11Å; V43-Q83 HydrophobicContact CG1-CB 4.48Å; V43-Q83 HydrophobicContact CG1-CG 4.46Å; V43-Q83 HydrophobicContact CG2-CB 4.33Å; V43-Q83 VanDerWaalsContact CG2-OE1 3.31Å; Q44-Q83 PolarHBondContact N-O 3.37Å; Q83-V85 HydrophobicContact CG-CG2 3.93Å; Q83-D135 WeakPolarHBondContact CA-O 3.43Å; Q83-D135 HydrophobicContact CG-CB 4.14Å; Q83-D135 PolarHBondContact NE2-OD2 2.81Å; Q83-Q137 VanDerWaalsContact NE2-NE2 3.17Å
84L96.8Very high90.6Very high0 Ų049.3 Ų49.30%025%0.254CS..EExtended strand (participates in β ladder)trans-110.7129.2166.617864000109.1Q44 L60 F86 L129 F133 D135 I136 Q137Q44-L84 HydrophobicContact CB-CD1 4.19Å; Q44-L84 HydrophobicContact CG-CD1 4Å; L60-L84 HydrophobicContact CD1-CD2 4.04Å; L60-L84 HydrophobicContact CD2-CD2 4.02Å; L84-F86 HydrophobicContact CD2-CE2 3.82Å; L84-F86 HydrophobicContact CD2-CZ 4.07Å; L84-F86 HydrophobicContact CG-CE2 4.26Å; L84-L129 HydrophobicContact CD2-CD2 4.18Å; L84-F133 HydrophobicContact CB-CD1 3.62Å; L84-F133 HydrophobicContact CB-CE1 3.72Å; L84-F133 HydrophobicContact CB-CG 4.24Å; L84-F133 HydrophobicContact CB-CZ 4.4Å; L84-F133 HydrophobicContact CD2-CE1 4.44Å; L84-F133 HydrophobicContact CD2-CE2 4.5Å; L84-F133 HydrophobicContact CD2-CZ 4.31Å; L84-D135 PolarHBondContact N-O 3.5Å; L84-I136 HydrophobicContact CB-CG1 4.45Å; L84-I136 HydrophobicContact CB-CG2 4.41Å; L84-I136 HydrophobicContact CD2-CG2 4.46Å; L84-I136 CarbonylContact O-C 3.41Å; L84-I136 VanDerWaalsContact O-CA 3.27Å; L84-I136 WeakPolarHBondContact O-CA 3.47Å; L84-Q137 PolarHBondContact O-N 3.45Å
85V97.4Very high91.5Very high0 Ų052.8 Ų52.80%026%0.26CS..EExtended strand (participates in β ladder)trans-122.8110.4-180-176.20000108.9V43 Q44 I45 Y46 Q83 C87 Q137 Y139 L176V43-V85 HydrophobicContact CG1-CG2 3.92Å; Q44-V85 PolarHBondContact O-N 3.15Å; I45-V85 CarbonylContact C-O 3.59Å; I45-V85 WeakPolarHBondContact CA-O 3.49Å; I45-V85 HydrophobicContact CG1-CB 4.37Å; Y46-V85 PolarHBondContact N-O 2.88Å; Q83-V85 HydrophobicContact CG-CG2 3.93Å; V85-C87 PolarHBondContact O-N 3.32Å; V85-Q137 CarbonylContact C-O 3.49Å; V85-Q137 WeakPolarHBondContact CA-O 3.41Å; V85-Q137 HydrophobicContact CG1-CB 4.4Å; V85-Q137 HydrophobicContact CG2-CB 4.37Å; V85-Y139 HydrophobicContact CG1-CD2 3.65Å; V85-Y139 HydrophobicContact CG1-CE2 3.93Å; V85-L176 HydrophobicContact CG1-CD1 4.31Å; V85-L176 HydrophobicContact CG1-CD2 4.14Å; V85-L176 HydrophobicContact CG2-CD2 3.78Å
86F97.9Very high92.5Very high0 Ų053.8 Ų53.80%026%0.264CS..EExtended strand (participates in β ladder)trans-72.9121.4167.3-70.9-85.2000109.1Y46 I52 L57 L60 L84 L108 L129 I136 Q137 C138 Y139Y46-F86 AromaticContact CD1-CD1 3.94Å; Y46-F86 HydrophobicContact CD1-CD1 3.94Å; Y46-F86 AromaticContact CD1-CE1 3.55Å; Y46-F86 HydrophobicContact CD1-CE1 3.55Å; Y46-F86 HydrophobicContact CD1-CZ 4.37Å; Y46-F86 HydrophobicContact CE1-CE1 4.09Å; I52-F86 HydrophobicContact CD1-CB 3.9Å; I52-F86 HydrophobicContact CD1-CD1 3.61Å; I52-F86 HydrophobicContact CD1-CD2 4.32Å; I52-F86 HydrophobicContact CD1-CE1 4.14Å; I52-F86 HydrophobicContact CD1-CG 3.69Å; I52-F86 HydrophobicContact CG1-CD1 3.96Å; I52-F86 HydrophobicContact CG1-CE1 4.45Å; I52-F86 HydrophobicContact CG1-CG 4.47Å; I52-F86 HydrophobicContact CG2-CD1 4.39Å; I52-F86 HydrophobicContact CG2-CE1 4.05Å; L57-F86 HydrophobicContact CD2-CZ 4.23Å; L60-F86 HydrophobicContact CD1-CE1 4.27Å; L60-F86 HydrophobicContact CD1-CZ 3.62Å; L84-F86 HydrophobicContact CD2-CE2 3.82Å; L84-F86 HydrophobicContact CD2-CZ 4.07Å; L84-F86 HydrophobicContact CG-CE2 4.26Å; F86-L108 HydrophobicContact CD2-CD1 3.82Å; F86-L108 HydrophobicContact CD2-CD2 4.22Å; F86-L108 HydrophobicContact CE2-CD1 3.87Å; F86-L129 HydrophobicContact CE2-CD2 4.42Å; F86-I136 HydrophobicContact CD2-CG2 4.13Å; F86-I136 HydrophobicContact CE2-CG2 4.02Å; F86-Q137 PolarHBondContact N-O 3.48Å; F86-C138 HydrophobicContact CB-CB 4.13Å; F86-C138 CarbonylContact O-C 3.6Å; F86-C138 VanDerWaalsContact O-CA 3.29Å; F86-C138 WeakPolarHBondContact O-CA 3.39Å; F86-Y139 PolarHBondContact O-N 3.39Å
87C97.8Very high93.6Very high4 Ų450.5 Ų50.53%0.02725%0.245CC..EExtended strand (participates in β ladder)trans-111.496.2172.6172.30000107.7I45 Y46 N47 V48 V85 R89I45-C87 HydrophobicContact CG2-CB 3.73Å; Y46-C87 PolarHBondContact O-N 2.75Å; N47-C87 WeakPolarHBondContact CA-O 3.5Å; V48-C87 PolarHBondContact N-O 2.96Å; V48-C87 VanDerWaalsContact O-O 3.14Å; V85-C87 PolarHBondContact O-N 3.32Å; C87-R89 PolarHBondContact O-N 3.11Å
88V97.8Very high94.4Very high0 Ų052.5 Ų52.50%026%0.255CS..EExtended strand (participates in β ladder)trans-85108.2-179.7-170.60000108.7V48 I52 F91 F107 Y139 L140 L141V48-V88 HydrophobicContact CG2-CB 4.19Å; V48-V88 HydrophobicContact CG2-CG1 4.26Å; V48-V88 HydrophobicContact CG2-CG2 3.81Å; I52-V88 HydrophobicContact CD1-CG2 4.2Å; I52-V88 HydrophobicContact CG1-CG2 3.88Å; V88-F91 HydrophobicContact CG1-CB 4.37Å; V88-F91 HydrophobicContact CG1-CD2 4.05Å; V88-F107 HydrophobicContact CG2-CE1 4.26Å; V88-Y139 PolarHBondContact N-O 3.04Å; V88-L140 HydrophobicContact CB-CD2 3.77Å; V88-L140 HydrophobicContact CG1-CD2 4.39Å; V88-L140 HydrophobicContact CG2-CD2 3.77Å; V88-L141 PolarHBondContact O-N 2.77Å
89R96.6Very high95Very high78 Ų7851.9 Ų51.929%0.29424%0.241SC..EExtended strand (participates in β ladder)trans-83150.8179.3-61.2-67.8-65.7-97-6.7110.6N47 V48 V49 D50 C87 F91N47-R89 WeakPolarHBondContact OD1-CD 3.04Å; N47-R89 WeakPolarHBondContact OD1-CG 3.29Å; V48-R89 WeakPolarHBondContact O-CB 3.39Å; V48-R89 PolarHBondContact O-N 2.94Å; V49-R89 HydrophobicContact CG2-CB 4.33Å; D50-R89 WeakPolarHBondContact CA-O 3.21Å; D50-R89 PolarHBondContact N-O 3.02Å; C87-R89 PolarHBondContact O-N 3.11Å; R89-F91 PolarHBondContact O-N 3.48Å; R89-F91 VanDerWaalsContact O-N 3.13Å
90D95.7Very high95.3Very high35 Ų3548.1 Ų48.119%0.18723%0.225CC..THydrogen-bonded Turntrans56.229.5172.6-55-11.2000113.5K92 L141 H143 P144D90-K92 WeakPolarHBondContact O-CG 3.3Å; D90-K92 PolarHBondContact O-N 2.88Å; D90-L141 PolarHBondContact N-O 3.02Å; D90-L141 VanDerWaalsContact N-O 3.08Å; D90-H143 HydrophobicContact CB-CB 4.38Å; D90-H143 WeakPolarHBondContact OD1-CA 3.48Å; D90-H143 IonicContact OD1-CD2 3.68Å; D90-H143 IonicContact OD2-CD2 3.52Å; D90-P144 WeakPolarHBondContact OD1-CD 3.13Å
91F97.1Very high95.7Very high10 Ų1049.6 Ų49.64%0.04423%0.23CC..  trans-57.5133.3-177.8-175.4-104.4000111.3V88 R89 N93 Y97 F99 F107 L140 L141V88-F91 HydrophobicContact CG1-CB 4.37Å; V88-F91 HydrophobicContact CG1-CD2 4.05Å; R89-F91 PolarHBondContact O-N 3.48Å; R89-F91 VanDerWaalsContact O-N 3.13Å; F91-N93 VanDerWaalsContact CE1-C 3.43Å; F91-N93 HydrophobicContact CE1-CB 3.98Å; F91-N93 WeakPolarHBondContact CE1-O 3.45Å; F91-N93 HydrophobicContact CE2-CB 4.31Å; F91-N93 HydrophobicContact CZ-CB 3.67Å; F91-Y97 HydrophobicContact CZ-CD2 4.08Å; F91-F99 HydrophobicContact CB-CE1 4.14Å; F91-F99 HydrophobicContact CD1-CD1 4.21Å; F91-F99 AromaticContact CD1-CE1 3.89Å; F91-F99 HydrophobicContact CD1-CE1 3.89Å; F91-F99 WeakPolarHBondContact O-CE1 3.34Å; F91-F107 HydrophobicContact CE2-CD2 4.13Å; F91-F107 HydrophobicContact CE2-CE2 4.12Å; F91-F107 HydrophobicContact CZ-CD2 4.31Å; F91-L140 HydrophobicContact CB-CB 4.28Å; F91-L140 HydrophobicContact CD1-CB 4.02Å; F91-L140 HydrophobicContact CD1-CD1 4Å; F91-L140 HydrophobicContact CD1-CG 4.43Å; F91-L140 HydrophobicContact CD2-CD2 4.01Å; F91-L140 HydrophobicContact CE1-CD1 3.68Å; F91-L140 HydrophobicContact CE2-CD1 4.21Å; F91-L140 HydrophobicContact CE2-CD2 4.17Å; F91-L140 HydrophobicContact CG-CB 4.08Å; F91-L140 HydrophobicContact CG-CD1 4.39Å; F91-L140 HydrophobicContact CG-CD2 4.25Å; F91-L140 HydrophobicContact CG-CG 4.46Å; F91-L140 HydrophobicContact CZ-CD1 3.78Å; F91-L141 PolarHBondContact N-O 3.49Å
92K92.6Very high95.8Very high140 Ų14054.5 Ų54.561%0.60926%0.256SS*.  trans-105.8-25.6-169.2-64.5174178.9145.50113.6D50 D90 Q94D50-K92 WeakPolarHBondContact OD1-CE 3.37Å; D50-K92 IonicContact OD1-NZ 3.87Å; D50-K92 PolarHBondContact OD1-NZ 3.24Å; D50-K92 IonicContact OD2-NZ 2.78Å; D50-K92 PolarHBondContact OD2-NZ 2.96Å; D90-K92 WeakPolarHBondContact O-CG 3.3Å; D90-K92 PolarHBondContact O-N 2.88Å; K92-Q94 VanDerWaalsContact C-N 3.32Å; K92-Q94 PolarHBondContact O-N 3.06Å; K92-Q94 VanDerWaalsContact O-N 3.12Å
93N92.2Very high95.9Very high92 Ų9254.1 Ų54.149%0.49225%0.254SS..  trans-92.748.9-167.5-66.646.3000113F91 E95 E96 Y97F91-N93 VanDerWaalsContact CE1-C 3.43Å; F91-N93 HydrophobicContact CE1-CB 3.98Å; F91-N93 WeakPolarHBondContact CE1-O 3.45Å; F91-N93 HydrophobicContact CE2-CB 4.31Å; F91-N93 HydrophobicContact CZ-CB 3.67Å; N93-E95 PolarHBondContact O-N 2.71Å; N93-E95 VanDerWaalsContact O-N 3.08Å; N93-E96 PolarHBondContact O-N 2.91Å; N93-E96 VanDerWaalsContact O-N 3.12Å; N93-Y97 PolarHBondContact O-N 2.73Å
94Q90.4Very high96Very high103 Ų10353 Ų5348%0.48125%0.249SC..THydrogen-bonded Turntrans-62.6-17.8-176.770.4177.5-7.400114.6K92 E96 Y97 F99K92-Q94 VanDerWaalsContact C-N 3.32Å; K92-Q94 PolarHBondContact O-N 3.06Å; K92-Q94 VanDerWaalsContact O-N 3.12Å; Q94-E96 VanDerWaalsContact C-N 3.33Å; Q94-Y97 CarbonylContact C-O 3.57Å; Q94-Y97 VanDerWaalsContact CA-O 3.28Å; Q94-Y97 WeakPolarHBondContact CA-O 3.35Å; Q94-F99 HydrophobicContact CB-CD2 4.47Å; Q94-F99 HydrophobicContact CB-CE1 4.4Å; Q94-F99 HydrophobicContact CB-CE2 3.79Å; Q94-F99 HydrophobicContact CB-CZ 3.73Å; Q94-F99 VanDerWaalsContact OE1-CE2 3.24Å
95E91.6Very high96.1Very high196 Ų19655.7 Ų55.792%0.91627%0.265SS*.THydrogen-bonded Turntrans-74.9-26.5179.2-63.6-179.2-179.100112.1N93N93-E95 PolarHBondContact O-N 2.71Å; N93-E95 VanDerWaalsContact O-N 3.08Å
96E95Very high96.1Very high121 Ų12160.3 Ų60.357%0.56529%0.29SS*.THydrogen-bonded Turntrans-97.3-41.3179.9-164.7-176.9158.700111.2N93 Q94N93-E96 PolarHBondContact O-N 2.91Å; N93-E96 VanDerWaalsContact O-N 3.12Å; Q94-E96 VanDerWaalsContact C-N 3.33Å
97Y97.1Very high96.1Very high30 Ų3061 Ų6112%0.11829%0.293CS..SBendtrans-132127.8179.9-53.8-81.4000110.7F91 N93 Q94 D106 F107 N110F91-Y97 HydrophobicContact CZ-CD2 4.08Å; N93-Y97 PolarHBondContact O-N 2.73Å; Q94-Y97 CarbonylContact C-O 3.57Å; Q94-Y97 VanDerWaalsContact CA-O 3.28Å; Q94-Y97 WeakPolarHBondContact CA-O 3.35Å; Y97-D106 HydrophobicContact CD1-CB 3.87Å; Y97-D106 HydrophobicContact CE1-CB 4.1Å; Y97-F107 HydrophobicContact CD1-CB 3.79Å; Y97-F107 HydrophobicContact CD2-CB 4.17Å; Y97-F107 AromaticContact CD2-CD2 3.83Å; Y97-F107 HydrophobicContact CD2-CD2 3.83Å; Y97-F107 HydrophobicContact CD2-CG 4.46Å; Y97-F107 HydrophobicContact CE1-CB 4.19Å; Y97-F107 AromaticContact CE2-CD2 3.87Å; Y97-F107 HydrophobicContact CE2-CD2 3.87Å; Y97-F107 HydrophobicContact CG-CB 3.8Å; Y97-F107 HydrophobicContact CG-CD2 4.33Å; Y97-N110 PolarHBondContact OH-ND2 3.3Å; Y97-N110 VanDerWaalsContact OH-ND2 3.16Å
98E96.9Very high96Very high108 Ų10860.8 Ų60.851%0.50529%0.292SS..  trans-67.2155.5177.965.5174.1-178.300112.6N102 G103E98-N102 HydrophobicContact CG-CB 4.44Å; E98-N102 WeakPolarHBondContact OE1-CB 3.34Å; E98-N102 PolarHBondContact OE1-ND2 2.83Å; E98-G103 WeakPolarHBondContact O-CA 3.49Å
99F97.6Very high95.9Very high27 Ų2764.3 Ų64.312%0.11831%0.311CS..SBendtrans-68.7156.2173.6-63.8-60.6000112.1F91 Q94 L140 P142 L164 E168F91-F99 HydrophobicContact CB-CE1 4.14Å; F91-F99 HydrophobicContact CD1-CD1 4.21Å; F91-F99 AromaticContact CD1-CE1 3.89Å; F91-F99 HydrophobicContact CD1-CE1 3.89Å; F91-F99 WeakPolarHBondContact O-CE1 3.34Å; Q94-F99 HydrophobicContact CB-CD2 4.47Å; Q94-F99 HydrophobicContact CB-CE1 4.4Å; Q94-F99 HydrophobicContact CB-CE2 3.79Å; Q94-F99 HydrophobicContact CB-CZ 3.73Å; Q94-F99 VanDerWaalsContact OE1-CE2 3.24Å; F99-L140 WeakPolarHBondContact CA-O 3.31Å; F99-L140 WeakPolarHBondContact CB-O 3.33Å; F99-L140 HydrophobicContact CD1-CB 4.39Å; F99-P142 HydrophobicContact CD1-CB 4.14Å; F99-P142 HydrophobicContact CD1-CG 4.45Å; F99-P142 HydrophobicContact CD2-CB 4.28Å; F99-P142 HydrophobicContact CD2-CG 4.48Å; F99-P142 HydrophobicContact CE1-CB 3.72Å; F99-P142 HydrophobicContact CE2-CB 3.87Å; F99-P142 HydrophobicContact CG-CB 4.41Å; F99-P142 HydrophobicContact CG-CG 4.44Å; F99-P142 HydrophobicContact CZ-CB 3.59Å; F99-L164 HydrophobicContact CD2-CD2 3.63Å; F99-L164 HydrophobicContact CD2-CG 4.28Å; F99-L164 HydrophobicContact CE2-CD2 3.54Å; F99-E168 HydrophobicContact CB-CG 3.91Å
100G97.1Very high95.9Very high2 Ų263.8 Ų63.82%0.02131%0.314CS..BIsolated β-bridgetrans94.7-157.1179.700000112.9G104 L140 E168G100-G104 PolarHBondContact O-N 2.74Å; G100-L140 PolarHBondContact N-O 2.85Å; G100-L140 PolarHBondContact O-N 3.39Å; G100-L140 VanDerWaalsContact O-N 3.08Å; G100-E168 VanDerWaalsContact CA-OE2 3.28Å; G100-E168 WeakPolarHBondContact CA-OE2 3.1Å
101E96.8Very high95.8Very high60 Ų6063 Ų6328%0.2831%0.31SS..Hα-helixtrans-75-47.1-172.6-170.4175.6-17900112.6G104 T105 Y139 N175E101-G104 CarbonylContact O-C 3.51Å; E101-G104 WeakPolarHBondContact O-CA 3.43Å; E101-G104 PolarHBondContact O-N 3.37Å; E101-G104 VanDerWaalsContact O-N 3.1Å; E101-T105 PolarHBondContact O-N 2.88Å; E101-T105 PolarHBondContact O-OG1 3.41Å; E101-Y139 HydrophobicContact CB-CD1 4.02Å; E101-Y139 HydrophobicContact CB-CE1 3.61Å; E101-Y139 HydrophobicContact CG-CE1 4.09Å; E101-Y139 HydrophobicContact CG-CE2 4.43Å; E101-Y139 PolarHBondContact OE2-OH 3.04Å; E101-N175 PolarHBondContact OE2-ND2 2.92Å; E101-N175 VanDerWaalsContact OE2-ND2 3.13Å
102N96.4Very high95.7Very high107 Ų10763.3 Ų63.357%0.57231%0.312SS*.Hα-helixtrans-57.5-58-176-70.3-11.7000112.3E98 G104 T105 D106E98-N102 HydrophobicContact CG-CB 4.44Å; E98-N102 WeakPolarHBondContact OE1-CB 3.34Å; E98-N102 PolarHBondContact OE1-ND2 2.83Å; N102-G104 PolarHBondContact O-N 3.4Å; N102-T105 WeakPolarHBondContact O-CB 3.35Å; N102-T105 PolarHBondContact O-N 2.8Å; N102-T105 VanDerWaalsContact O-N 3.13Å; N102-D106 PolarHBondContact O-N 3.19Å
103G97.5Very high95.7Very high0 Ų062.4 Ų62.40%031%0.31CS..Hα-helixtrans-65.5-26.6176.300000112.4E98 F107E98-G103 WeakPolarHBondContact O-CA 3.49Å; G103-F107 WeakPolarHBondContact O-CB 3.27Å; G103-F107 PolarHBondContact O-N 3.43Å
104G98Very high95.7Very high0 Ų060.9 Ų60.90%030%0.304CS..Hα-helixtrans-64.6-40.217100000113.5G100 E101 N102 F107 L108 C138G100-G104 PolarHBondContact O-N 2.74Å; E101-G104 CarbonylContact O-C 3.51Å; E101-G104 WeakPolarHBondContact O-CA 3.43Å; E101-G104 PolarHBondContact O-N 3.37Å; E101-G104 VanDerWaalsContact O-N 3.1Å; N102-G104 PolarHBondContact O-N 3.4Å; G104-F107 PolarHBondContact O-N 2.98Å; G104-L108 VanDerWaalsContact O-CB 3.23Å; G104-L108 WeakPolarHBondContact O-CB 3.27Å; G104-L108 PolarHBondContact O-N 3.25Å; G104-C138 WeakPolarHBondContact CA-O 3.42Å; G104-C138 WeakPolarHBondContact O-CB 3.36Å; G104-C138 PolarHBondContact O-SG 3.36Å; G104-C138 VanDerWaalsContact O-SG 3.39Å
105T97.6Very high95.6Very high56 Ų5659.3 Ų59.334%0.34430%0.299SS..Hα-helixtrans-61.3-51.6173.7-64.50000110.7E101 N102 F107 L108 D109E101-T105 PolarHBondContact O-N 2.88Å; E101-T105 PolarHBondContact O-OG1 3.41Å; N102-T105 WeakPolarHBondContact O-CB 3.35Å; N102-T105 PolarHBondContact O-N 2.8Å; N102-T105 VanDerWaalsContact O-N 3.13Å; T105-F107 VanDerWaalsContact C-N 3.31Å; T105-F107 PolarHBondContact O-N 3.12Å; T105-L108 PolarHBondContact O-N 3.47Å; T105-D109 PolarHBondContact O-N 2.75Å
106D97.8Very high95.5Very high98 Ų9855.6 Ų55.652%0.52429%0.292SS..Hα-helixtrans-60-43.3179.2-66.7-20.8000111.4Y97 N102 D109 N110Y97-D106 HydrophobicContact CD1-CB 3.87Å; Y97-D106 HydrophobicContact CE1-CB 4.1Å; N102-D106 PolarHBondContact O-N 3.19Å; D106-D109 PolarHBondContact O-N 3.24Å; D106-N110 PolarHBondContact O-N 3.2Å; D106-N110 VanDerWaalsContact O-N 3.13Å
107F97.9Very high95.3Very high13 Ų1358.1 Ų58.16%0.05730%0.304CS..Hα-helixtrans-63.5-45.3176.8171.2-99.4000112.2N51 I52 V88 F91 Y97 G103 G104 T105 N110 V111 L140N51-F107 WeakPolarHBondContact OD1-CZ 3.28Å; I52-F107 HydrophobicContact CB-CE1 4.46Å; I52-F107 HydrophobicContact CD1-CD1 4.48Å; I52-F107 HydrophobicContact CD1-CE1 3.78Å; I52-F107 HydrophobicContact CG1-CE1 3.97Å; V88-F107 HydrophobicContact CG2-CE1 4.26Å; F91-F107 HydrophobicContact CE2-CD2 4.13Å; F91-F107 HydrophobicContact CE2-CE2 4.12Å; F91-F107 HydrophobicContact CZ-CD2 4.31Å; Y97-F107 HydrophobicContact CD1-CB 3.79Å; Y97-F107 HydrophobicContact CD2-CB 4.17Å; Y97-F107 AromaticContact CD2-CD2 3.83Å; Y97-F107 HydrophobicContact CD2-CD2 3.83Å; Y97-F107 HydrophobicContact CD2-CG 4.46Å; Y97-F107 HydrophobicContact CE1-CB 4.19Å; Y97-F107 AromaticContact CE2-CD2 3.87Å; Y97-F107 HydrophobicContact CE2-CD2 3.87Å; Y97-F107 HydrophobicContact CG-CB 3.8Å; Y97-F107 HydrophobicContact CG-CD2 4.33Å; G103-F107 WeakPolarHBondContact O-CB 3.27Å; G103-F107 PolarHBondContact O-N 3.43Å; G104-F107 PolarHBondContact O-N 2.98Å; T105-F107 VanDerWaalsContact C-N 3.31Å; T105-F107 PolarHBondContact O-N 3.12Å; F107-N110 PolarHBondContact O-N 2.95Å; F107-V111 HydrophobicContact CD1-CG2 4.3Å; F107-V111 HydrophobicContact CD2-CG2 4.46Å; F107-V111 HydrophobicContact CE1-CG2 3.69Å; F107-V111 HydrophobicContact CE2-CG2 3.84Å; F107-V111 HydrophobicContact CZ-CG2 3.37Å; F107-V111 WeakPolarHBondContact O-CG2 3.11Å; F107-V111 PolarHBondContact O-N 3.41Å; F107-L140 HydrophobicContact CB-CD1 3.89Å; F107-L140 HydrophobicContact CB-CD2 4.42Å; F107-L140 HydrophobicContact CD1-CD2 3.67Å; F107-L140 HydrophobicContact CE1-CD2 4.25Å; F107-L140 HydrophobicContact CG-CD1 4.23Å; F107-L140 HydrophobicContact CG-CD2 4.1Å
108L97.1Very high94.8Very high1 Ų158.5 Ų58.51%0.00531%0.307CS..Hα-helixtrans-65.4-40.7179179.265.3000111.4I52 F86 G104 T105 N110 V111 L112 I136 C138I52-L108 HydrophobicContact CD1-CD1 3.9Å; F86-L108 HydrophobicContact CD2-CD1 3.82Å; F86-L108 HydrophobicContact CD2-CD2 4.22Å; F86-L108 HydrophobicContact CE2-CD1 3.87Å; G104-L108 VanDerWaalsContact O-CB 3.23Å; G104-L108 WeakPolarHBondContact O-CB 3.27Å; G104-L108 PolarHBondContact O-N 3.25Å; T105-L108 PolarHBondContact O-N 3.47Å; L108-N110 VanDerWaalsContact C-N 3.27Å; L108-N110 PolarHBondContact O-N 2.83Å; L108-V111 PolarHBondContact O-N 3.41Å; L108-L112 HydrophobicContact CD1-CD1 3.96Å; L108-L112 HydrophobicContact CD1-CD2 4.49Å; L108-L112 HydrophobicContact CD1-CG 3.96Å; L108-L112 HydrophobicContact CD2-CD1 4.39Å; L108-L112 HydrophobicContact CG-CD1 3.9Å; L108-L112 HydrophobicContact CG-CG 4.25Å; L108-L112 WeakPolarHBondContact O-CB 3.37Å; L108-L112 WeakPolarHBondContact O-CG 3.44Å; L108-L112 PolarHBondContact O-N 3.15Å; L108-I136 HydrophobicContact CD2-CG2 3.72Å; L108-C138 HydrophobicContact CB-CB 3.73Å; L108-C138 HydrophobicContact CD2-CB 3.97Å; L108-C138 HydrophobicContact CG-CB 4.34Å
109D95.8Very high94.4Very high73 Ų7357 Ų5739%0.3931%0.306SS..Hα-helixtrans-60.6-40.3176.5-78.6-15.9000111T105 D106 L112 Q113 R130T105-D109 PolarHBondContact O-N 2.75Å; D106-D109 PolarHBondContact O-N 3.24Å; D109-L112 PolarHBondContact O-N 2.78Å; D109-Q113 WeakPolarHBondContact O-CG 3.22Å; D109-Q113 PolarHBondContact O-N 2.61Å; D109-R130 IonicContact OD1-CZ 2.91Å; D109-R130 IonicContact OD1-NE 2.7Å; D109-R130 IonicContact OD1-NH2 3.68Å; D109-R130 PolarHBondContact OD1-NH2 3.31Å
110N95.3Very high94Very high67 Ų6760.6 Ų60.636%0.35832%0.323SS..Hα-helixtrans-64.5-44.8172.5-17345.8000112.6Y97 D106 F107 L108 L112 Q113Y97-N110 PolarHBondContact OH-ND2 3.3Å; Y97-N110 VanDerWaalsContact OH-ND2 3.16Å; D106-N110 PolarHBondContact O-N 3.2Å; D106-N110 VanDerWaalsContact O-N 3.13Å; F107-N110 PolarHBondContact O-N 2.95Å; L108-N110 VanDerWaalsContact C-N 3.27Å; L108-N110 PolarHBondContact O-N 2.83Å; N110-L112 VanDerWaalsContact C-N 3.27Å; N110-L112 PolarHBondContact O-N 3.27Å; N110-Q113 WeakPolarHBondContact O-CB 3.4Å; N110-Q113 PolarHBondContact O-N 3.28Å; N110-Q113 VanDerWaalsContact O-N 3.16Å
111V94Very high93.4Very high19 Ų1967.9 Ų67.912%0.11536%0.357CS..Hα-helixtrans-59.2-38.1177167.60000112I52 L57 F107 L108 Q113 R126I52-V111 HydrophobicContact CB-CG1 4.13Å; I52-V111 HydrophobicContact CB-CG2 4.49Å; I52-V111 HydrophobicContact CG2-CG1 3.96Å; L57-V111 HydrophobicContact CD1-CG1 4.08Å; F107-V111 HydrophobicContact CD1-CG2 4.3Å; F107-V111 HydrophobicContact CD2-CG2 4.46Å; F107-V111 HydrophobicContact CE1-CG2 3.69Å; F107-V111 HydrophobicContact CE2-CG2 3.84Å; F107-V111 HydrophobicContact CZ-CG2 3.37Å; F107-V111 WeakPolarHBondContact O-CG2 3.11Å; F107-V111 PolarHBondContact O-N 3.41Å; L108-V111 PolarHBondContact O-N 3.41Å; V111-Q113 VanDerWaalsContact C-N 3.32Å; V111-R126 PolarHBondContact O-NH1 3.29Å
112L94.3Very high92.9Very high16 Ų1666 Ų668%0.08435%0.349CS..THydrogen-bonded Turntrans-84.20.4-179-62.9179000113.7L57 L108 D109 N110 R126 L129L57-L112 HydrophobicContact CD2-CD2 4.26Å; L108-L112 HydrophobicContact CD1-CD1 3.96Å; L108-L112 HydrophobicContact CD1-CD2 4.49Å; L108-L112 HydrophobicContact CD1-CG 3.96Å; L108-L112 HydrophobicContact CD2-CD1 4.39Å; L108-L112 HydrophobicContact CG-CD1 3.9Å; L108-L112 HydrophobicContact CG-CG 4.25Å; L108-L112 WeakPolarHBondContact O-CB 3.37Å; L108-L112 WeakPolarHBondContact O-CG 3.44Å; L108-L112 PolarHBondContact O-N 3.15Å; D109-L112 PolarHBondContact O-N 2.78Å; N110-L112 VanDerWaalsContact C-N 3.27Å; N110-L112 PolarHBondContact O-N 3.27Å; L112-R126 HydrophobicContact CD2-CB 4.46Å; L112-R126 HydrophobicContact CD2-CG 4.18Å; L112-R126 WeakPolarHBondContact O-CB 3.45Å; L112-L129 HydrophobicContact CD2-CD2 4.47Å
113Q93.6Very high92.6Very high122 Ų12262.6 Ų62.657%0.5733%0.329SS*.  trans-64.5140171.6-68.6-178.28.200110.8D109 N110 V111 R126D109-Q113 WeakPolarHBondContact O-CG 3.22Å; D109-Q113 PolarHBondContact O-N 2.61Å; N110-Q113 WeakPolarHBondContact O-CB 3.4Å; N110-Q113 PolarHBondContact O-N 3.28Å; N110-Q113 VanDerWaalsContact O-N 3.16Å; V111-Q113 VanDerWaalsContact C-N 3.32Å; Q113-R126 WeakPolarHBondContact O-CD 2.98Å; Q113-R126 PolarHBondContact O-NH1 3.44Å
114T92.3Very high92.3Very high60 Ų6066.7 Ų66.737%0.36835%0.348SS..  trans-96.3148.217753.50000111.7K123 R126 E127T114-K123 HydrophobicContact CG2-CB 4.08Å; T114-K123 HydrophobicContact CG2-CG 4.03Å; T114-R126 HydrophobicContact CG2-CB 3.79Å; T114-E127 HydrophobicContact CG2-CG 3.86Å
115N89.1Confident92Very high70 Ų7067 Ų6737%0.37435%0.35SS..  trans-120.3135.4170.8174.1-12.8000109.1E117 Q118N115-E117 PolarHBondContact O-N 2.97Å; N115-E117 VanDerWaalsContact O-N 3.07Å; N115-E117 PolarHBondContact OD1-N 3.02Å; N115-Q118 HydrophobicContact CB-CG 4.11Å; N115-Q118 WeakPolarHBondContact O-CB 3.32Å; N115-Q118 PolarHBondContact O-N 3.28Å
116P89.1Confident91.8Very high118 Ų11865.4 Ų65.477%0.76634%0.337SS*.THydrogen-bonded Turntrans-48.6-31.1174.5-29.734.4000116Q118P116-Q118 VanDerWaalsContact C-N 3.28Å; P116-Q118 PolarHBondContact O-N 3.48Å
117E89.8Confident91.5Very high173 Ų17365.7 Ų65.781%0.80834%0.336SS*.THydrogen-bonded Turntrans-75.7-13.9-179.1-62.9-178163.100113.7N115N115-E117 PolarHBondContact O-N 2.97Å; N115-E117 VanDerWaalsContact O-N 3.07Å; N115-E117 PolarHBondContact OD1-N 3.02Å
118Q88Confident91.2Very high39 Ų3967.3 Ų67.318%0.18235%0.345CS..SBendtrans-71.8153.2-179.6-70.8172-35.900111.8N115 P116 K123 R126N115-Q118 HydrophobicContact CB-CG 4.11Å; N115-Q118 WeakPolarHBondContact O-CB 3.32Å; N115-Q118 PolarHBondContact O-N 3.28Å; P116-Q118 VanDerWaalsContact C-N 3.28Å; P116-Q118 PolarHBondContact O-N 3.48Å; Q118-K123 HydrophobicContact CB-CG 4.04Å; Q118-K123 WeakPolarHBondContact O-CE 3.05Å; Q118-K123 PolarHBondContact O-NZ 3.12Å; Q118-R126 VanDerWaalsContact NE2-CZ 3.27Å
119P88.4Confident91Very high75 Ų7567.3 Ų67.349%0.48734%0.344SS..  trans-55.4143.5166.3-2332.8000111.6E121 I122 K123P119-E121 VanDerWaalsContact C-N 3.26Å; P119-E121 PolarHBondContact O-N 3.47Å; P119-I122 HydrophobicContact CB-CD1 4.44Å; P119-I122 HydrophobicContact CB-CG1 4.32Å; P119-I122 HydrophobicContact CG-CD1 4.04Å; P119-I122 HydrophobicContact CG-CG1 4.46Å; P119-I122 PolarHBondContact O-N 3.5Å; P119-I122 VanDerWaalsContact O-N 3.12Å; P119-K123 PolarHBondContact O-N 3.07Å
120E88.4Confident90.8Very high104 Ų10468 Ų6849%0.48634%0.342SS..Hα-helixtrans-60.6-36.5-177.8-168.261.2-165.600112.6I122 K123 Q124E120-I122 VanDerWaalsContact C-N 3.29Å; E120-I122 PolarHBondContact O-N 3.3Å; E120-K123 PolarHBondContact O-N 3.46Å; E120-K123 IonicContact OE2-NZ 3.46Å; E120-K123 PolarHBondContact OE2-NZ 3.16Å; E120-Q124 WeakPolarHBondContact O-CG 3.35Å; E120-Q124 PolarHBondContact O-N 2.93Å
121E84.6Confident90.6Very high155 Ų15569.8 Ų69.872%0.72435%0.348SS*.Hα-helixtrans-58.2-40.4176.4-65.5166.2-174.100112P119 V125P119-E121 VanDerWaalsContact C-N 3.26Å; P119-E121 PolarHBondContact O-N 3.47Å; E121-V125 WeakPolarHBondContact O-CG2 3.32Å; E121-V125 PolarHBondContact O-N 2.64Å
122I86.3Confident90.5Very high21 Ų2169.6 Ų69.611%0.10835%0.345CS..Hα-helixtrans-72.1-42179.4-61.5-176000110.5P119 E120 Q124 V125 R126P119-I122 HydrophobicContact CB-CD1 4.44Å; P119-I122 HydrophobicContact CB-CG1 4.32Å; P119-I122 HydrophobicContact CG-CD1 4.04Å; P119-I122 HydrophobicContact CG-CG1 4.46Å; P119-I122 PolarHBondContact O-N 3.5Å; P119-I122 VanDerWaalsContact O-N 3.12Å; E120-I122 VanDerWaalsContact C-N 3.29Å; E120-I122 PolarHBondContact O-N 3.3Å; I122-Q124 PolarHBondContact O-N 2.95Å; I122-V125 PolarHBondContact O-N 3Å; I122-R126 WeakPolarHBondContact O-CG 3.29Å; I122-R126 PolarHBondContact O-N 3.39Å; I122-R126 VanDerWaalsContact O-N 3.16Å
123K90.2Very high90.5Very high34 Ų3469 Ų6915%0.14834%0.342CS..Hα-helixtrans-59.5-47176.1-73.8-177.2-106.7152.80111.5T114 Q118 P119 E120 V125 R126 E127T114-K123 HydrophobicContact CG2-CB 4.08Å; T114-K123 HydrophobicContact CG2-CG 4.03Å; Q118-K123 HydrophobicContact CB-CG 4.04Å; Q118-K123 WeakPolarHBondContact O-CE 3.05Å; Q118-K123 PolarHBondContact O-NZ 3.12Å; P119-K123 PolarHBondContact O-N 3.07Å; E120-K123 PolarHBondContact O-N 3.46Å; E120-K123 IonicContact OE2-NZ 3.46Å; E120-K123 PolarHBondContact OE2-NZ 3.16Å; K123-V125 VanDerWaalsContact C-N 3.31Å; K123-V125 PolarHBondContact O-N 2.78Å; K123-R126 PolarHBondContact O-N 3.05Å; K123-R126 VanDerWaalsContact O-N 3.12Å; K123-E127 WeakPolarHBondContact O-CG 3.46Å; K123-E127 PolarHBondContact O-N 3.03Å
124Q90.9Very high90.6Very high86 Ų8667 Ų6740%0.40233%0.333SS..Hα-helixtrans-58.8-41.8177.9-76-177.312.600112.3E120 I122 R126 L128E120-Q124 WeakPolarHBondContact O-CG 3.35Å; E120-Q124 PolarHBondContact O-N 2.93Å; I122-Q124 PolarHBondContact O-N 2.95Å; Q124-R126 VanDerWaalsContact C-N 3.35Å; Q124-R126 PolarHBondContact O-N 3.44Å; Q124-L128 HydrophobicContact CB-CD1 4.4Å; Q124-L128 VanDerWaalsContact O-CB 3.22Å; Q124-L128 WeakPolarHBondContact O-CB 3.44Å; Q124-L128 WeakPolarHBondContact O-CG 3.42Å; Q124-L128 PolarHBondContact O-N 2.89Å
125V92.3Very high90.7Very high7 Ų766.6 Ų66.64%0.04233%0.328CS..Hα-helixtrans-59-49.1176171.60000110.6L57 L60 V64 E121 I122 K123 E127 L129L57-V125 HydrophobicContact CB-CG1 4.5Å; L60-V125 HydrophobicContact CB-CG1 4.29Å; V64-V125 HydrophobicContact CG2-CG1 4.43Å; V64-V125 HydrophobicContact CG2-CG2 4.45Å; E121-V125 WeakPolarHBondContact O-CG2 3.32Å; E121-V125 PolarHBondContact O-N 2.64Å; I122-V125 PolarHBondContact O-N 3Å; K123-V125 VanDerWaalsContact C-N 3.31Å; K123-V125 PolarHBondContact O-N 2.78Å; V125-E127 PolarHBondContact O-N 3.19Å; V125-L129 VanDerWaalsContact O-CB 3.28Å; V125-L129 WeakPolarHBondContact O-CB 3.3Å; V125-L129 PolarHBondContact O-N 3.2Å
126R93.1Very high91Very high23 Ų2363.9 Ų63.99%0.08731%0.313CS..Hα-helixtrans-63.1-42.5-177.6-70.3180-171.9-152.6-5.8113.2E54 L57 V111 L112 Q113 T114 Q118 I122 K123 Q124E54-R126 IonicContact OE1-CZ 3.83Å; E54-R126 IonicContact OE1-NH2 2.77Å; E54-R126 PolarHBondContact OE1-NH2 3.33Å; E54-R126 IonicContact OE2-CZ 2.77Å; E54-R126 IonicContact OE2-NH2 3.09Å; E54-R126 PolarHBondContact OE2-NH2 3.22Å; L57-R126 HydrophobicContact CD1-CG 4.44Å; V111-R126 PolarHBondContact O-NH1 3.29Å; L112-R126 HydrophobicContact CD2-CB 4.46Å; L112-R126 HydrophobicContact CD2-CG 4.18Å; L112-R126 WeakPolarHBondContact O-CB 3.45Å; Q113-R126 WeakPolarHBondContact O-CD 2.98Å; Q113-R126 PolarHBondContact O-NH1 3.44Å; T114-R126 HydrophobicContact CG2-CB 3.79Å; Q118-R126 VanDerWaalsContact NE2-CZ 3.27Å; I122-R126 WeakPolarHBondContact O-CG 3.29Å; I122-R126 PolarHBondContact O-N 3.39Å; I122-R126 VanDerWaalsContact O-N 3.16Å; K123-R126 PolarHBondContact O-N 3.05Å; K123-R126 VanDerWaalsContact O-N 3.12Å; Q124-R126 VanDerWaalsContact C-N 3.35Å; Q124-R126 PolarHBondContact O-N 3.44Å
127E91.3Very high91.4Very high104 Ų10459.7 Ų59.749%0.48628%0.283SS..Hα-helixtrans-72.6-38.5-177.6-70.8169.8-177.100112.3T114 K123 V125T114-E127 HydrophobicContact CG2-CG 3.86Å; K123-E127 WeakPolarHBondContact O-CG 3.46Å; K123-E127 PolarHBondContact O-N 3.03Å; V125-E127 PolarHBondContact O-N 3.19Å
128L92.1Very high91.8Very high47 Ų4751.4 Ų51.425%0.24625%0.245CC..Hα-helixtrans-99.2-11-170-61.6174.9000114.2V64 Q124 R130 E131 Y132V64-L128 HydrophobicContact CG1-CB 3.77Å; V64-L128 HydrophobicContact CG1-CD1 3.88Å; V64-L128 HydrophobicContact CG1-CG 4.46Å; Q124-L128 HydrophobicContact CB-CD1 4.4Å; Q124-L128 VanDerWaalsContact O-CB 3.22Å; Q124-L128 WeakPolarHBondContact O-CB 3.44Å; Q124-L128 WeakPolarHBondContact O-CG 3.42Å; Q124-L128 PolarHBondContact O-N 2.89Å; L128-R130 VanDerWaalsContact C-N 3.27Å; L128-R130 PolarHBondContact O-N 3.29Å; L128-E131 HydrophobicContact CD2-CG 4.31Å; L128-E131 WeakPolarHBondContact O-CB 3.3Å; L128-E131 PolarHBondContact O-N 2.81Å; L128-Y132 HydrophobicContact CB-CD2 4.23Å; L128-Y132 HydrophobicContact CB-CE2 3.69Å; L128-Y132 HydrophobicContact CD1-CE2 4.31Å; L128-Y132 HydrophobicContact CG-CE2 4.47Å; L128-Y132 VanDerWaalsContact O-CD2 3.27Å; L128-Y132 WeakPolarHBondContact O-CD2 3.45Å; L128-Y132 PolarHBondContact O-N 3.46Å
129L91.6Very high92.3Very high0 Ų049.8 Ų49.80%024%0.237CC..Hα-helixtrans-56.1-45.3-178.7-159.770.1000111.3L60 V64 L84 F86 L112 V125 E131 Y132 F133 I136L60-L129 HydrophobicContact CB-CD1 3.87Å; L60-L129 HydrophobicContact CD1-CD1 3.98Å; L60-L129 HydrophobicContact CD1-CD2 3.91Å; L60-L129 HydrophobicContact CG-CD1 4.42Å; V64-L129 HydrophobicContact CG2-CD1 3.97Å; L84-L129 HydrophobicContact CD2-CD2 4.18Å; F86-L129 HydrophobicContact CE2-CD2 4.42Å; L112-L129 HydrophobicContact CD2-CD2 4.47Å; V125-L129 VanDerWaalsContact O-CB 3.28Å; V125-L129 WeakPolarHBondContact O-CB 3.3Å; V125-L129 PolarHBondContact O-N 3.2Å; L129-E131 PolarHBondContact O-N 2.91Å; L129-Y132 PolarHBondContact O-N 3.34Å; L129-F133 HydrophobicContact CD1-CD2 4.14Å; L129-F133 HydrophobicContact CD1-CE2 3.85Å; L129-F133 HydrophobicContact CG-CD2 4.26Å; L129-F133 HydrophobicContact CG-CE2 4.44Å; L129-F133 WeakPolarHBondContact O-CD2 3.48Å; L129-F133 PolarHBondContact O-N 3.44Å; L129-I136 HydrophobicContact CB-CD1 4.03Å; L129-I136 HydrophobicContact CD2-CD1 3.68Å; L129-I136 HydrophobicContact CG-CD1 3.52Å
130R91.4Very high92.8Very high89 Ų8946.2 Ų46.234%0.33621%0.214SC..Hα-helixtrans-68.3-18.7178.7-67.1-171.1180-746.7113.1K79 D109 L128 I136K79-R130 PolarHBondContact NZ-O 3.19Å; D109-R130 IonicContact OD1-CZ 2.91Å; D109-R130 IonicContact OD1-NE 2.7Å; D109-R130 IonicContact OD1-NH2 3.68Å; D109-R130 PolarHBondContact OD1-NH2 3.31Å; L128-R130 VanDerWaalsContact C-N 3.27Å; L128-R130 PolarHBondContact O-N 3.29Å; R130-I136 HydrophobicContact CG-CD1 4.04Å
131E91.8Very high93.2Very high103 Ų10341.3 Ų41.348%0.48119%0.191SC..Hα-helixtrans-75.8-31.2176.2-65-57.1130.300112.4K79 L128 L129K79-E131 WeakPolarHBondContact CD-O 3.34Å; K79-E131 WeakPolarHBondContact CE-O 3.35Å; K79-E131 WeakPolarHBondContact CG-O 3.09Å; L128-E131 HydrophobicContact CD2-CG 4.31Å; L128-E131 WeakPolarHBondContact O-CB 3.3Å; L128-E131 PolarHBondContact O-N 2.81Å; L129-E131 PolarHBondContact O-N 2.91Å
132Y92.8Very high93.8Very high16 Ų1634 Ų346%0.06316%0.157CC..Hα-helixtrans-104.9-14.5-172.4-55.7-52.7000115.5V64 G67 R68 M71 P80 F81 L128 L129V64-Y132 HydrophobicContact CB-CD2 4.39Å; V64-Y132 HydrophobicContact CB-CE2 4.42Å; V64-Y132 HydrophobicContact CG1-CD2 4.41Å; V64-Y132 HydrophobicContact CG1-CE2 4Å; V64-Y132 HydrophobicContact CG2-CD2 4.43Å; V64-Y132 WeakPolarHBondContact O-CE2 3.27Å; G67-Y132 VanDerWaalsContact CA-CD1 3.49Å; G67-Y132 WeakPolarHBondContact O-CE1 3.1Å; R68-Y132 VanDerWaalsContact CA-OH 3.24Å; R68-Y132 WeakPolarHBondContact CA-OH 3.49Å; R68-Y132 WeakPolarHBondContact CB-OH 3.35Å; R68-Y132 VanDerWaalsContact N-CZ 3.27Å; R68-Y132 PolarHBondContact N-OH 2.94Å; M71-Y132 HydrophobicContact CG-CD1 4.27Å; M71-Y132 HydrophobicContact CG-CE1 4.06Å; M71-Y132 HydrophobicContact SD-CD1 3.53Å; M71-Y132 VanDerWaalsContact SD-CD1 3.53Å; M71-Y132 HydrophobicContact SD-CE1 3.38Å; M71-Y132 WeakPolarHBondContact SD-CE1 3.2Å; P80-Y132 VanDerWaalsContact CD-O 3.3Å; P80-Y132 WeakPolarHBondContact CD-O 3.42Å; F81-Y132 PolarHBondContact N-O 3.41Å; F81-Y132 VanDerWaalsContact N-O 3.15Å; L128-Y132 HydrophobicContact CB-CD2 4.23Å; L128-Y132 HydrophobicContact CB-CE2 3.69Å; L128-Y132 HydrophobicContact CD1-CE2 4.31Å; L128-Y132 HydrophobicContact CG-CE2 4.47Å; L128-Y132 VanDerWaalsContact O-CD2 3.27Å; L128-Y132 WeakPolarHBondContact O-CD2 3.45Å; L128-Y132 PolarHBondContact O-N 3.46Å; L129-Y132 PolarHBondContact O-N 3.34Å
133F94.4Very high94.2Very high3 Ų335.5 Ų35.51%0.01316%0.163CC..EExtended strand (participates in β ladder)trans-101.3137169.2-71.2-97.1000110.4T38 F63 K79 F81 L84 L129 D135 I136T38-F133 HydrophobicContact CG2-CE1 4.27Å; T38-F133 HydrophobicContact CG2-CZ 4.26Å; F63-F133 HydrophobicContact CB-CE2 4.21Å; F63-F133 HydrophobicContact CB-CZ 4.28Å; F63-F133 HydrophobicContact CD2-CZ 4.39Å; F63-F133 HydrophobicContact CG-CZ 4.42Å; K79-F133 VanDerWaalsContact CD-O 3.22Å; K79-F133 WeakPolarHBondContact CD-O 3.44Å; K79-F133 PolarHBondContact NZ-O 2.88Å; F81-F133 HydrophobicContact CB-CD1 3.33Å; F81-F133 HydrophobicContact CB-CD2 4.33Å; F81-F133 HydrophobicContact CB-CE1 3.36Å; F81-F133 HydrophobicContact CB-CE2 4.36Å; F81-F133 HydrophobicContact CB-CG 3.85Å; F81-F133 HydrophobicContact CB-CZ 3.91Å; F81-F133 HydrophobicContact CD1-CE1 4.47Å; F81-F133 HydrophobicContact CD2-CD2 4.27Å; F81-F133 HydrophobicContact CD2-CE1 4.22Å; F81-F133 AromaticContact CD2-CE2 3.89Å; F81-F133 HydrophobicContact CD2-CE2 3.89Å; F81-F133 AromaticContact CD2-CZ 3.86Å; F81-F133 HydrophobicContact CD2-CZ 3.86Å; F81-F133 HydrophobicContact CG-CD1 4.19Å; F81-F133 AromaticContact CG-CE1 3.79Å; F81-F133 HydrophobicContact CG-CE1 3.79Å; F81-F133 HydrophobicContact CG-CE2 4.3Å; F81-F133 AromaticContact CG-CZ 3.85Å; F81-F133 HydrophobicContact CG-CZ 3.85Å; F81-F133 WeakPolarHBondContact O-CA 3.28Å; L84-F133 HydrophobicContact CB-CD1 3.62Å; L84-F133 HydrophobicContact CB-CE1 3.72Å; L84-F133 HydrophobicContact CB-CG 4.24Å; L84-F133 HydrophobicContact CB-CZ 4.4Å; L84-F133 HydrophobicContact CD2-CE1 4.44Å; L84-F133 HydrophobicContact CD2-CE2 4.5Å; L84-F133 HydrophobicContact CD2-CZ 4.31Å; L129-F133 HydrophobicContact CD1-CD2 4.14Å; L129-F133 HydrophobicContact CD1-CE2 3.85Å; L129-F133 HydrophobicContact CG-CD2 4.26Å; L129-F133 HydrophobicContact CG-CE2 4.44Å; L129-F133 WeakPolarHBondContact O-CD2 3.48Å; L129-F133 PolarHBondContact O-N 3.44Å; F133-D135 VanDerWaalsContact C-N 3.27Å; F133-D135 PolarHBondContact O-N 3.08Å; F133-I136 HydrophobicContact CB-CD1 4.04Å; F133-I136 HydrophobicContact CB-CG1 3.7Å; F133-I136 HydrophobicContact CD2-CD1 4.4Å; F133-I136 HydrophobicContact CG-CD1 4.4Å; F133-I136 HydrophobicContact CG-CG1 4.31Å
134E94.3Very high94.3Very high81 Ų8134.2 Ų34.238%0.37916%0.158SC..EExtended strand (participates in β ladder)trans-59.9-39.5172.4-69.2177.4-175.900111.8K79 F81 Q82K79-E134 HydrophobicContact CB-CG 4.31Å; F81-E134 PolarHBondContact O-N 2.85Å; Q82-E134 WeakPolarHBondContact O-CA 3.37Å; Q82-E134 WeakPolarHBondContact O-CB 3.36Å; Q82-E134 PolarHBondContact O-N 3.04Å
135D94.7Very high94.3Very high51 Ų5130.8 Ų30.827%0.27315%0.146SC..EExtended strand (participates in β ladder)trans-147.8141.3-179.2-175.836.5000111.2Q82 Q83 L84 F133 Q137Q82-D135 PolarHBondContact O-N 2.7Å; Q83-D135 WeakPolarHBondContact CA-O 3.43Å; Q83-D135 HydrophobicContact CG-CB 4.14Å; Q83-D135 PolarHBondContact NE2-OD2 2.81Å; L84-D135 PolarHBondContact N-O 3.5Å; F133-D135 VanDerWaalsContact C-N 3.27Å; F133-D135 PolarHBondContact O-N 3.08Å; D135-Q137 VanDerWaalsContact OD2-CG 3.3Å; D135-Q137 WeakPolarHBondContact OD2-CG 3.11Å; D135-Q137 PolarHBondContact OD2-NE2 3.36Å
136I96.2Very high94.1Very high12 Ų1238.9 Ų38.96%0.06218%0.177CC..EExtended strand (participates in β ladder)trans-132.4117.2174.5-50.7-177.3000108.5L84 F86 L108 L129 R130 F133L84-I136 HydrophobicContact CB-CG1 4.45Å; L84-I136 HydrophobicContact CB-CG2 4.41Å; L84-I136 HydrophobicContact CD2-CG2 4.46Å; L84-I136 CarbonylContact O-C 3.41Å; L84-I136 VanDerWaalsContact O-CA 3.27Å; L84-I136 WeakPolarHBondContact O-CA 3.47Å; F86-I136 HydrophobicContact CD2-CG2 4.13Å; F86-I136 HydrophobicContact CE2-CG2 4.02Å; L108-I136 HydrophobicContact CD2-CG2 3.72Å; L129-I136 HydrophobicContact CB-CD1 4.03Å; L129-I136 HydrophobicContact CD2-CD1 3.68Å; L129-I136 HydrophobicContact CG-CD1 3.52Å; R130-I136 HydrophobicContact CG-CD1 4.04Å; F133-I136 HydrophobicContact CB-CD1 4.04Å; F133-I136 HydrophobicContact CB-CG1 3.7Å; F133-I136 HydrophobicContact CD2-CD1 4.4Å; F133-I136 HydrophobicContact CG-CD1 4.4Å; F133-I136 HydrophobicContact CG-CG1 4.31Å
137Q96.8Very high93.6Very high30 Ų3044.1 Ų44.114%0.1420%0.201CC..EExtended strand (participates in β ladder)trans-115.7160.4180-58.5-172.6-1000110.7Q83 L84 V85 F86 D135 Y139Q83-Q137 VanDerWaalsContact NE2-NE2 3.17Å; L84-Q137 PolarHBondContact O-N 3.45Å; V85-Q137 CarbonylContact C-O 3.49Å; V85-Q137 WeakPolarHBondContact CA-O 3.41Å; V85-Q137 HydrophobicContact CG1-CB 4.4Å; V85-Q137 HydrophobicContact CG2-CB 4.37Å; F86-Q137 PolarHBondContact N-O 3.48Å; D135-Q137 VanDerWaalsContact OD2-CG 3.3Å; D135-Q137 WeakPolarHBondContact OD2-CG 3.11Å; D135-Q137 PolarHBondContact OD2-NE2 3.36Å; Q137-Y139 HydrophobicContact CB-CE2 4.19Å; Q137-Y139 PolarHBondContact OE1-OH 3.03Å
138C98.3Very high93.2Very high0 Ų040.7 Ų40.70%019%0.187CC..EExtended strand (participates in β ladder)trans-139.3135173.81790000109.6F86 G104 L108F86-C138 HydrophobicContact CB-CB 4.13Å; F86-C138 CarbonylContact O-C 3.6Å; F86-C138 VanDerWaalsContact O-CA 3.29Å; F86-C138 WeakPolarHBondContact O-CA 3.39Å; G104-C138 WeakPolarHBondContact CA-O 3.42Å; G104-C138 WeakPolarHBondContact O-CB 3.36Å; G104-C138 PolarHBondContact O-SG 3.36Å; G104-C138 VanDerWaalsContact O-SG 3.39Å; L108-C138 HydrophobicContact CB-CB 3.73Å; L108-C138 HydrophobicContact CD2-CB 3.97Å; L108-C138 HydrophobicContact CG-CB 4.34Å
139Y98.3Very high92.7Very high4 Ų441 Ų412%0.01620%0.196CC..EExtended strand (participates in β ladder)trans-122125.3175-71.6-98.3000109.3V85 F86 V88 E101 Q137 M172 N175 L176V85-Y139 HydrophobicContact CG1-CD2 3.65Å; V85-Y139 HydrophobicContact CG1-CE2 3.93Å; F86-Y139 PolarHBondContact O-N 3.39Å; V88-Y139 PolarHBondContact N-O 3.04Å; E101-Y139 HydrophobicContact CB-CD1 4.02Å; E101-Y139 HydrophobicContact CB-CE1 3.61Å; E101-Y139 HydrophobicContact CG-CE1 4.09Å; E101-Y139 HydrophobicContact CG-CE2 4.43Å; E101-Y139 PolarHBondContact OE2-OH 3.04Å; Q137-Y139 HydrophobicContact CB-CE2 4.19Å; Q137-Y139 PolarHBondContact OE1-OH 3.03Å; Y139-M172 HydrophobicContact CD1-CB 3.82Å; Y139-M172 HydrophobicContact CD1-CG 3.57Å; Y139-M172 HydrophobicContact CD1-SD 4.16Å; Y139-M172 HydrophobicContact CD2-CG 4.19Å; Y139-M172 HydrophobicContact CD2-SD 4.48Å; Y139-M172 HydrophobicContact CE1-CB 3.87Å; Y139-M172 HydrophobicContact CE1-CG 3.73Å; Y139-M172 HydrophobicContact CE2-CG 4.36Å; Y139-M172 HydrophobicContact CG-CG 3.81Å; Y139-M172 HydrophobicContact CG-SD 3.95Å; Y139-N175 WeakPolarHBondContact OH-CB 3.19Å; Y139-L176 HydrophobicContact CE2-CD2 4.05Å; Y139-L176 HydrophobicContact CE2-CG 4.47Å
140L98.4Very high92.2Very high0 Ų046.6 Ų46.60%022%0.222CC..EExtended strand (participates in β ladder)trans-95.4112.2174.6-54-179.3000109.2V88 F91 F99 G100 F107V88-L140 HydrophobicContact CB-CD2 3.77Å; V88-L140 HydrophobicContact CG1-CD2 4.39Å; V88-L140 HydrophobicContact CG2-CD2 3.77Å; F91-L140 HydrophobicContact CB-CB 4.28Å; F91-L140 HydrophobicContact CD1-CB 4.02Å; F91-L140 HydrophobicContact CD1-CD1 4Å; F91-L140 HydrophobicContact CD1-CG 4.43Å; F91-L140 HydrophobicContact CD2-CD2 4.01Å; F91-L140 HydrophobicContact CE1-CD1 3.68Å; F91-L140 HydrophobicContact CE2-CD1 4.21Å; F91-L140 HydrophobicContact CE2-CD2 4.17Å; F91-L140 HydrophobicContact CG-CB 4.08Å; F91-L140 HydrophobicContact CG-CD1 4.39Å; F91-L140 HydrophobicContact CG-CD2 4.25Å; F91-L140 HydrophobicContact CG-CG 4.46Å; F91-L140 HydrophobicContact CZ-CD1 3.78Å; F99-L140 WeakPolarHBondContact CA-O 3.31Å; F99-L140 WeakPolarHBondContact CB-O 3.33Å; F99-L140 HydrophobicContact CD1-CB 4.39Å; G100-L140 PolarHBondContact N-O 2.85Å; G100-L140 PolarHBondContact O-N 3.39Å; G100-L140 VanDerWaalsContact O-N 3.08Å; F107-L140 HydrophobicContact CB-CD1 3.89Å; F107-L140 HydrophobicContact CB-CD2 4.42Å; F107-L140 HydrophobicContact CD1-CD2 3.67Å; F107-L140 HydrophobicContact CE1-CD2 4.25Å; F107-L140 HydrophobicContact CG-CD1 4.23Å; F107-L140 HydrophobicContact CG-CD2 4.1Å
141L97.8Very high90.8Very high2 Ų253.9 Ų53.91%0.0125%0.25CC..  trans-104.9133.3-179.5-63.5-177000110.9V88 D90 F91 F165 E168 L169 M172V88-L141 PolarHBondContact O-N 2.77Å; D90-L141 PolarHBondContact N-O 3.02Å; D90-L141 VanDerWaalsContact N-O 3.08Å; F91-L141 PolarHBondContact N-O 3.49Å; L141-F165 HydrophobicContact CB-CD2 4.35Å; L141-F165 HydrophobicContact CB-CE2 4.06Å; L141-F165 HydrophobicContact CD1-CE2 4.15Å; L141-E168 HydrophobicContact CD2-CB 3.75Å; L141-L169 HydrophobicContact CD1-CD2 4.12Å; L141-M172 HydrophobicContact CD1-CE 4.45Å; L141-M172 HydrophobicContact CD1-SD 4.04Å; L141-M172 HydrophobicContact CD2-SD 4.28Å; L141-M172 HydrophobicContact CG-SD 4.47Å
142P96.2Very high89.8Confident0 Ų058.7 Ų58.70%027%0.272CS..  trans-68166.5174.528.9-35.1000111.2F99 L164 F165F99-P142 HydrophobicContact CD1-CB 4.14Å; F99-P142 HydrophobicContact CD1-CG 4.45Å; F99-P142 HydrophobicContact CD2-CB 4.28Å; F99-P142 HydrophobicContact CD2-CG 4.48Å; F99-P142 HydrophobicContact CE1-CB 3.72Å; F99-P142 HydrophobicContact CE2-CB 3.87Å; F99-P142 HydrophobicContact CG-CB 4.41Å; F99-P142 HydrophobicContact CG-CG 4.44Å; F99-P142 HydrophobicContact CZ-CB 3.59Å; P142-L164 HydrophobicContact CB-CD2 4.37Å; P142-L164 HydrophobicContact CG-CB 4.46Å; P142-L164 HydrophobicContact CG-CD2 4.35Å; P142-L164 HydrophobicContact CG-CG 4.18Å; P142-F165 HydrophobicContact CG-CB 3.94Å; P142-F165 HydrophobicContact CG-CD2 4.18Å; P142-F165 WeakPolarHBondContact O-CD2 3.48Å
143H95.3Very high88.7Confident53 Ų5360.4 Ų60.425%0.24529%0.287CS..  trans-58.3132.5170.9-174.9-90.6000111.3D90 G145 R162D90-H143 HydrophobicContact CB-CB 4.38Å; D90-H143 WeakPolarHBondContact OD1-CA 3.48Å; D90-H143 IonicContact OD1-CD2 3.68Å; D90-H143 IonicContact OD2-CD2 3.52Å; H143-G145 PolarHBondContact ND1-N 3.33Å; H143-G145 VanDerWaalsContact ND1-N 3.13Å; H143-G145 PolarHBondContact O-N 2.94Å; H143-G145 VanDerWaalsContact O-N 3.12Å; H143-R162 WeakPolarHBondContact O-CD 3.46Å
144P93.5Very high88Confident7 Ų763.9 Ų63.95%0.04530%0.302CS..  trans-69.8-12.2-171.928.9-37.6000113.9D90 V148 R162 F165D90-P144 WeakPolarHBondContact OD1-CD 3.13Å; P144-V148 HydrophobicContact CB-CB 4.06Å; P144-V148 HydrophobicContact CB-CG1 4.01Å; P144-V148 HydrophobicContact CB-CG2 4.35Å; P144-V148 HydrophobicContact CG-CB 4.23Å; P144-V148 HydrophobicContact CG-CG1 4.18Å; P144-R162 WeakPolarHBondContact O-CB 3.49Å; P144-R162 PolarHBondContact O-N 3.13Å; P144-F165 HydrophobicContact CB-CD1 3.86Å; P144-F165 HydrophobicContact CB-CD2 4.21Å; P144-F165 HydrophobicContact CB-CE1 3.8Å; P144-F165 HydrophobicContact CB-CE2 4.16Å; P144-F165 HydrophobicContact CB-CG 4.05Å; P144-F165 HydrophobicContact CB-CZ 3.96Å
145G90.9Very high87.4Confident14 Ų1470.1 Ų70.114%0.14432%0.322CS..  trans110.1149.9179.900000112.3H143 K147 V148 A149H143-G145 PolarHBondContact ND1-N 3.33Å; H143-G145 VanDerWaalsContact ND1-N 3.13Å; H143-G145 PolarHBondContact O-N 2.94Å; H143-G145 VanDerWaalsContact O-N 3.12Å; G145-K147 VanDerWaalsContact C-N 3.32Å; G145-K147 PolarHBondContact O-N 3.49Å; G145-V148 WeakPolarHBondContact O-CB 3.29Å; G145-V148 PolarHBondContact O-N 2.95Å; G145-A149 PolarHBondContact O-N 3.25Å; G145-A149 VanDerWaalsContact O-N 3.11Å
146Y86.5Confident86.8Confident177 Ų17770 Ų7069%0.69433%0.333SS*.Hα-helixtrans-60.1-37.5-173.4-64.6-72.7000113.6V148 A149 E150Y146-V148 PolarHBondContact O-N 3.06Å; Y146-A149 PolarHBondContact O-N 3.15Å; Y146-A149 VanDerWaalsContact O-N 3.14Å; Y146-E150 WeakPolarHBondContact O-CB 3.18Å; Y146-E150 WeakPolarHBondContact O-CG 3.4Å; Y146-E150 PolarHBondContact O-N 3.37Å
147K82.2Confident86.3Confident134 Ų13473.9 Ų73.958%0.58335%0.35SS*.Hα-helixtrans-59.4-19.7173.5-70.1-171.8178.6-178.10114.4G145 S153 F154G145-K147 VanDerWaalsContact C-N 3.32Å; G145-K147 PolarHBondContact O-N 3.49Å; K147-S153 PolarHBondContact O-OG 3.42Å; K147-F154 WeakPolarHBondContact O-CB 3.36Å
148V82.9Confident85.7Confident32 Ų3276.6 Ų76.619%0.19437%0.369CS..Hα-helixtrans-95.1-39.5178.1-172.80000110P144 G145 Y146 F154 L161P144-V148 HydrophobicContact CB-CB 4.06Å; P144-V148 HydrophobicContact CB-CG1 4.01Å; P144-V148 HydrophobicContact CB-CG2 4.35Å; P144-V148 HydrophobicContact CG-CB 4.23Å; P144-V148 HydrophobicContact CG-CG1 4.18Å; G145-V148 WeakPolarHBondContact O-CB 3.29Å; G145-V148 PolarHBondContact O-N 2.95Å; Y146-V148 PolarHBondContact O-N 3.06Å; V148-F154 HydrophobicContact CB-CD2 4.42Å; V148-F154 HydrophobicContact CB-CG 4.47Å; V148-F154 HydrophobicContact CG1-CD1 4.01Å; V148-F154 HydrophobicContact CG1-CD2 4.35Å; V148-F154 HydrophobicContact CG1-CE1 4.1Å; V148-F154 HydrophobicContact CG1-CE2 4.45Å; V148-F154 HydrophobicContact CG1-CG 4.14Å; V148-F154 HydrophobicContact CG1-CZ 4.32Å; V148-F154 HydrophobicContact CG2-CD2 3.97Å; V148-F154 HydrophobicContact CG2-CE2 4Å; V148-L161 HydrophobicContact CG1-CD2 4.16Å; V148-L161 HydrophobicContact CG2-CD2 3.63Å
149A81.8Confident85.2Confident53 Ų5384.2 Ų84.244%0.43840%0.402SS..Hα-helixtrans-73-31.2-178.900000113.4G145 Y146 R151G145-A149 PolarHBondContact O-N 3.25Å; G145-A149 VanDerWaalsContact O-N 3.11Å; Y146-A149 PolarHBondContact O-N 3.15Å; Y146-A149 VanDerWaalsContact O-N 3.14Å; A149-R151 PolarHBondContact O-N 2.91Å
150E81.8Confident84.7Confident118 Ų11885.9 Ų85.955%0.55141%0.411SS*.SBendtrans-76.1105.6178.3-72173-162.700110.8Y146 Q152 S153Y146-E150 WeakPolarHBondContact O-CB 3.18Å; Y146-E150 WeakPolarHBondContact O-CG 3.4Å; Y146-E150 PolarHBondContact O-N 3.37Å; E150-Q152 PolarHBondContact O-N 3.49Å; E150-S153 PolarHBondContact O-N 3.14Å; E150-S153 VanDerWaalsContact O-N 3.13Å; E150-S153 PolarHBondContact O-OG 3.31Å
151R62.9Low84.3Confident242 Ų24287 Ų8791%0.91342%0.417SS*.THydrogen-bonded Turntrans-52.1132.2176.9-73.1-177.7176.3178.3-0.7109.8A149A149-R151 PolarHBondContact O-N 2.91Å
152Q69.8Low84.1Confident203 Ų20392 Ų9295%0.94944%0.436SS*.THydrogen-bonded Turntrans89.7-14.9-175.5-51.7-179.3-0.600117.1E150E150-Q152 PolarHBondContact O-N 3.49Å
153S69.8Low84Confident53 Ų5395.7 Ų95.737%0.37146%0.46SS..THydrogen-bonded Turntrans-92.3-23.8-178.468.20000114.1K147 E150K147-S153 PolarHBondContact O-OG 3.42Å; E150-S153 PolarHBondContact O-N 3.14Å; E150-S153 VanDerWaalsContact O-N 3.13Å; E150-S153 PolarHBondContact O-OG 3.31Å
154F79.6Confident84Confident75 Ų7595.5 Ų95.533%0.32946%0.461SS..  trans-90.9121.9-177.6-169-126.7000113K147 V148 G156 H157 D160 L161K147-F154 WeakPolarHBondContact O-CB 3.36Å; V148-F154 HydrophobicContact CB-CD2 4.42Å; V148-F154 HydrophobicContact CB-CG 4.47Å; V148-F154 HydrophobicContact CG1-CD1 4.01Å; V148-F154 HydrophobicContact CG1-CD2 4.35Å; V148-F154 HydrophobicContact CG1-CE1 4.1Å; V148-F154 HydrophobicContact CG1-CE2 4.45Å; V148-F154 HydrophobicContact CG1-CG 4.14Å; V148-F154 HydrophobicContact CG1-CZ 4.32Å; V148-F154 HydrophobicContact CG2-CD2 3.97Å; V148-F154 HydrophobicContact CG2-CE2 4Å; F154-G156 VanDerWaalsContact CE1-CA 3.5Å; F154-G156 VanDerWaalsContact CZ-CA 3.42Å; F154-H157 WeakPolarHBondContact CE2-O 3.08Å; F154-D160 HydrophobicContact CD2-CB 4.18Å; F154-D160 HydrophobicContact CE2-CB 4.11Å; F154-L161 HydrophobicContact CE2-CD2 4.09Å; F154-L161 HydrophobicContact CZ-CD2 3.82Å; F154-L161 HydrophobicContact CZ-CG 4.5Å
155R81.5Confident84.1Confident212 Ų21295.6 Ų95.680%0.846%0.46SS*.  trans-101.313.7175.3-64.1-169.2177.1-164.4-0.8113.9
156G82Confident84.2Confident49 Ų4998.6 Ų98.651%0.50547%0.467SS..SBendtrans83.16.5-177.600000114.7F154 V158F154-G156 VanDerWaalsContact CE1-CA 3.5Å; F154-G156 VanDerWaalsContact CZ-CA 3.42Å; G156-V158 PolarHBondContact O-N 3.07Å
157H85.5Confident84.6Confident93 Ų9394.7 Ų94.743%0.43146%0.455SS..  trans-77.2123.8-178.5-59.1-55.7000111.7F154 K159 D160F154-H157 WeakPolarHBondContact CE2-O 3.08Å; H157-K159 HydrophobicContact CB-CG 4.05Å; H157-K159 PolarHBondContact O-N 3.26Å; H157-D160 WeakPolarHBondContact CB-OD2 3.4Å; H157-D160 IonicContact CD2-OD2 3.81Å; H157-D160 WeakPolarHBondContact O-CB 3.44Å; H157-D160 PolarHBondContact O-N 3.14Å
158V85.3Confident85.3Confident87 Ų8788.8 Ų88.853%0.52743%0.43SS..G310 helixtrans-56.3-28.2179.9178.70000113.3G156 D160 L161 R166G156-V158 PolarHBondContact O-N 3.07Å; V158-D160 PolarHBondContact O-N 3.27Å; V158-L161 HydrophobicContact CG1-CD1 4.35Å; V158-L161 WeakPolarHBondContact O-CB 3.37Å; V158-L161 PolarHBondContact O-N 3.2Å; V158-R166 HydrophobicContact CG1-CG 3.96Å
159K86.9Confident85.8Confident160 Ų16089.4 Ų89.470%0.69643%0.432SS*.G310 helixtrans-68.2-21.7177.269.4-178.2-179.51780113.8H157 L161H157-K159 HydrophobicContact CB-CG 4.05Å; H157-K159 PolarHBondContact O-N 3.26Å; K159-L161 VanDerWaalsContact C-N 3.34Å
160D88.2Confident86.4Confident39 Ų3993.6 Ų93.621%0.20944%0.44CS..G310 helixtrans-87-11.1-179.5-61.1-34.9000111.7F154 H157 V158F154-D160 HydrophobicContact CD2-CB 4.18Å; F154-D160 HydrophobicContact CE2-CB 4.11Å; H157-D160 WeakPolarHBondContact CB-OD2 3.4Å; H157-D160 IonicContact CD2-OD2 3.81Å; H157-D160 WeakPolarHBondContact O-CB 3.44Å; H157-D160 PolarHBondContact O-N 3.14Å; V158-D160 PolarHBondContact O-N 3.27Å
161L90.4Very high87.1Confident25 Ų2593.4 Ų93.413%0.13144%0.437CS..SBendtrans-70.7142.4170.2-58.1177.3000110.3V148 F154 V158 K159 F165 R166 L169V148-L161 HydrophobicContact CG1-CD2 4.16Å; V148-L161 HydrophobicContact CG2-CD2 3.63Å; F154-L161 HydrophobicContact CE2-CD2 4.09Å; F154-L161 HydrophobicContact CZ-CD2 3.82Å; F154-L161 HydrophobicContact CZ-CG 4.5Å; V158-L161 HydrophobicContact CG1-CD1 4.35Å; V158-L161 WeakPolarHBondContact O-CB 3.37Å; V158-L161 PolarHBondContact O-N 3.2Å; K159-L161 VanDerWaalsContact C-N 3.34Å; L161-F165 HydrophobicContact CB-CD1 4.38Å; L161-F165 HydrophobicContact CD1-CD1 4.31Å; L161-F165 HydrophobicContact CD1-CE1 4.47Å; L161-F165 HydrophobicContact CD2-CD1 4.22Å; L161-F165 HydrophobicContact CD2-CE1 4.21Å; L161-R166 HydrophobicContact CB-CB 4.45Å; L161-L169 HydrophobicContact CD1-CD1 4.5Å
162R93.6Very high88.6Confident105 Ų10582.7 Ų82.740%0.39640%0.398SS..  trans-53.6132.9169.6-175.4179.4177.6-168.2-2.6109.7H143 P144 L164 F165 R166H143-R162 WeakPolarHBondContact O-CD 3.46Å; P144-R162 WeakPolarHBondContact O-CB 3.49Å; P144-R162 PolarHBondContact O-N 3.13Å; R162-L164 VanDerWaalsContact C-N 3.31Å; R162-L164 PolarHBondContact O-N 3.18Å; R162-F165 HydrophobicContact CB-CB 4.23Å; R162-F165 WeakPolarHBondContact O-CB 3.34Å; R162-F165 PolarHBondContact O-N 2.79Å; R162-F165 VanDerWaalsContact O-N 3.09Å; R162-R166 PolarHBondContact O-N 3.21Å; R162-R166 VanDerWaalsContact O-N 3.08Å
163P94.6Very high89.8Confident78 Ų7876.4 Ų76.451%0.50637%0.373SS..Hα-helixtrans-52.8-45.1-175.3-30.635.9000114.3F165 R166 E167P163-F165 PolarHBondContact O-N 3.01Å; P163-R166 WeakPolarHBondContact O-CB 3.39Å; P163-R166 PolarHBondContact O-N 3.06Å; P163-E167 WeakPolarHBondContact O-CG 3.38Å; P163-E167 PolarHBondContact O-N 2.64Å
164L93.8Very high90.9Very high50 Ų5076.8 Ų76.826%0.26238%0.375SS..Hα-helixtrans-62.4-43.3179.1-168.965.8000112.4F99 P142 R162 R166 E167 E168F99-L164 HydrophobicContact CD2-CD2 3.63Å; F99-L164 HydrophobicContact CD2-CG 4.28Å; F99-L164 HydrophobicContact CE2-CD2 3.54Å; P142-L164 HydrophobicContact CB-CD2 4.37Å; P142-L164 HydrophobicContact CG-CB 4.46Å; P142-L164 HydrophobicContact CG-CD2 4.35Å; P142-L164 HydrophobicContact CG-CG 4.18Å; R162-L164 VanDerWaalsContact C-N 3.31Å; R162-L164 PolarHBondContact O-N 3.18Å; L164-R166 VanDerWaalsContact C-N 3.3Å; L164-R166 PolarHBondContact O-N 3.27Å; L164-E167 PolarHBondContact O-N 2.84Å; L164-E167 VanDerWaalsContact O-N 3.17Å; L164-E168 PolarHBondContact O-N 3.31Å
165F95.3Very high91.5Very high9 Ų976 Ų764%0.03937%0.374CS..Hα-helixtrans-60.5-41.7175.4-178.5-103.4000111.9L141 P142 P144 L161 R162 P163 E167 E168 L169L141-F165 HydrophobicContact CB-CD2 4.35Å; L141-F165 HydrophobicContact CB-CE2 4.06Å; L141-F165 HydrophobicContact CD1-CE2 4.15Å; P142-F165 HydrophobicContact CG-CB 3.94Å; P142-F165 HydrophobicContact CG-CD2 4.18Å; P142-F165 WeakPolarHBondContact O-CD2 3.48Å; P144-F165 HydrophobicContact CB-CD1 3.86Å; P144-F165 HydrophobicContact CB-CD2 4.21Å; P144-F165 HydrophobicContact CB-CE1 3.8Å; P144-F165 HydrophobicContact CB-CE2 4.16Å; P144-F165 HydrophobicContact CB-CG 4.05Å; P144-F165 HydrophobicContact CB-CZ 3.96Å; L161-F165 HydrophobicContact CB-CD1 4.38Å; L161-F165 HydrophobicContact CD1-CD1 4.31Å; L161-F165 HydrophobicContact CD1-CE1 4.47Å; L161-F165 HydrophobicContact CD2-CD1 4.22Å; L161-F165 HydrophobicContact CD2-CE1 4.21Å; R162-F165 HydrophobicContact CB-CB 4.23Å; R162-F165 WeakPolarHBondContact O-CB 3.34Å; R162-F165 PolarHBondContact O-N 2.79Å; R162-F165 VanDerWaalsContact O-N 3.09Å; P163-F165 PolarHBondContact O-N 3.01Å; F165-E167 VanDerWaalsContact C-N 3.33Å; F165-E167 PolarHBondContact O-N 3.45Å; F165-E168 PolarHBondContact O-N 3.27Å; F165-L169 HydrophobicContact CD1-CD1 3.76Å; F165-L169 HydrophobicContact CD1-CG 4.26Å; F165-L169 HydrophobicContact CE1-CD1 3.22Å; F165-L169 HydrophobicContact CE1-CG 3.91Å; F165-L169 HydrophobicContact CZ-CD1 3.73Å; F165-L169 HydrophobicContact CZ-CD2 4.35Å; F165-L169 HydrophobicContact CZ-CG 4.06Å; F165-L169 WeakPolarHBondContact O-CB 3.42Å; F165-L169 WeakPolarHBondContact O-CG 3.23Å; F165-L169 PolarHBondContact O-N 3Å
166R94.4Very high92Very high77 Ų7766.1 Ų66.129%0.29134%0.337SS..Hα-helixtrans-65-36.9176.6-178.9-173.666.9-174.50.1112.1V158 L161 R162 P163 L164 K170V158-R166 HydrophobicContact CG1-CG 3.96Å; L161-R166 HydrophobicContact CB-CB 4.45Å; R162-R166 PolarHBondContact O-N 3.21Å; R162-R166 VanDerWaalsContact O-N 3.08Å; P163-R166 WeakPolarHBondContact O-CB 3.39Å; P163-R166 PolarHBondContact O-N 3.06Å; L164-R166 VanDerWaalsContact C-N 3.3Å; L164-R166 PolarHBondContact O-N 3.27Å; R166-K170 WeakPolarHBondContact O-CB 3.36Å; R166-K170 VanDerWaalsContact O-CG 3.28Å; R166-K170 WeakPolarHBondContact O-CG 2.81Å; R166-K170 PolarHBondContact O-N 3.25Å
167E95.1Very high92.4Very high94 Ų9467.3 Ų67.344%0.43933%0.331SS..Hα-helixtrans-66-44.9177.1-76167.8-17200111.5P163 L164 F165 K170 K171P163-E167 WeakPolarHBondContact O-CG 3.38Å; P163-E167 PolarHBondContact O-N 2.64Å; L164-E167 PolarHBondContact O-N 2.84Å; L164-E167 VanDerWaalsContact O-N 3.17Å; F165-E167 VanDerWaalsContact C-N 3.33Å; F165-E167 PolarHBondContact O-N 3.45Å; E167-K170 WeakPolarHBondContact O-CB 3.38Å; E167-K170 PolarHBondContact O-N 3.2Å; E167-K171 PolarHBondContact O-N 2.95Å
168E95.8Very high92.5Very high11 Ų1163.1 Ų63.15%0.05131%0.314CS..Hα-helixtrans-66.5-40.7176.3-63.1-46.7124.700112.5F99 G100 L141 L164 F165 K170 K171 M172F99-E168 HydrophobicContact CB-CG 3.91Å; G100-E168 VanDerWaalsContact CA-OE2 3.28Å; G100-E168 WeakPolarHBondContact CA-OE2 3.1Å; L141-E168 HydrophobicContact CD2-CB 3.75Å; L164-E168 PolarHBondContact O-N 3.31Å; F165-E168 PolarHBondContact O-N 3.27Å; E168-K170 VanDerWaalsContact C-N 3.29Å; E168-K170 PolarHBondContact O-N 3.35Å; E168-K171 PolarHBondContact O-N 3.12Å; E168-K171 VanDerWaalsContact O-N 3.09Å; E168-K171 IonicContact OE1-NZ 2.72Å; E168-K171 PolarHBondContact OE1-NZ 3.3Å; E168-K171 IonicContact OE2-NZ 3.46Å; E168-K171 PolarHBondContact OE2-NZ 3.41Å; E168-M172 WeakPolarHBondContact O-CB 3.36Å; E168-M172 PolarHBondContact O-N 2.77Å
169L94.3Very high92.6Very high45 Ų4562 Ų6224%0.23631%0.308CS..Hα-helixtrans-60.8-37.2173.1-78.7-175.4000112.9L141 L161 F165 K171 M172 V173L141-L169 HydrophobicContact CD1-CD2 4.12Å; L161-L169 HydrophobicContact CD1-CD1 4.5Å; F165-L169 HydrophobicContact CD1-CD1 3.76Å; F165-L169 HydrophobicContact CD1-CG 4.26Å; F165-L169 HydrophobicContact CE1-CD1 3.22Å; F165-L169 HydrophobicContact CE1-CG 3.91Å; F165-L169 HydrophobicContact CZ-CD1 3.73Å; F165-L169 HydrophobicContact CZ-CD2 4.35Å; F165-L169 HydrophobicContact CZ-CG 4.06Å; F165-L169 WeakPolarHBondContact O-CB 3.42Å; F165-L169 WeakPolarHBondContact O-CG 3.23Å; F165-L169 PolarHBondContact O-N 3Å; L169-K171 PolarHBondContact O-N 3.35Å; L169-M172 HydrophobicContact CD2-CE 4.14Å; L169-M172 PolarHBondContact O-N 3.2Å; L169-V173 WeakPolarHBondContact O-CB 3.35Å; L169-V173 WeakPolarHBondContact O-CG2 3.22Å; L169-V173 PolarHBondContact O-N 2.97Å
170K94.6Very high92.4Very high141 Ų14159.7 Ų59.761%0.61330%0.299SS*.Hα-helixtrans-65.8-24.2177.1-82.2177.6176.1-171.40112.9R166 E167 E168 P174R166-K170 WeakPolarHBondContact O-CB 3.36Å; R166-K170 VanDerWaalsContact O-CG 3.28Å; R166-K170 WeakPolarHBondContact O-CG 2.81Å; R166-K170 PolarHBondContact O-N 3.25Å; E167-K170 WeakPolarHBondContact O-CB 3.38Å; E167-K170 PolarHBondContact O-N 3.2Å; E168-K170 VanDerWaalsContact C-N 3.29Å; E168-K170 PolarHBondContact O-N 3.35Å; K170-P174 WeakPolarHBondContact O-CD 3.35Å; K170-P174 VanDerWaalsContact O-CG 3.29Å; K170-P174 WeakPolarHBondContact O-CG 3.41Å
171K95Very high92.4Very high113 Ų11360.6 Ų60.649%0.49130%0.304SS..Hα-helixtrans-85.6-50173.6-61.2169.2-171.4167.40110.8E167 E168 L169 V173 P174 N175E167-K171 PolarHBondContact O-N 2.95Å; E168-K171 PolarHBondContact O-N 3.12Å; E168-K171 VanDerWaalsContact O-N 3.09Å; E168-K171 IonicContact OE1-NZ 2.72Å; E168-K171 PolarHBondContact OE1-NZ 3.3Å; E168-K171 IonicContact OE2-NZ 3.46Å; E168-K171 PolarHBondContact OE2-NZ 3.41Å; L169-K171 PolarHBondContact O-N 3.35Å; K171-V173 PolarHBondContact O-N 3.03Å; K171-P174 WeakPolarHBondContact O-CD 3.13Å; K171-N175 VanDerWaalsContact O-CG 3.28Å; K171-N175 PolarHBondContact O-N 2.91Å; K171-N175 PolarHBondContact O-OD1 3.36Å
172M95.4Very high92.2Very high18 Ų1860.8 Ų60.89%0.08930%0.304CS..Hα-helixtrans-61.5-47.4-175.4-175.3-175.499.400112.8Y139 L141 E168 L169 N175 L176Y139-M172 HydrophobicContact CD1-CB 3.82Å; Y139-M172 HydrophobicContact CD1-CG 3.57Å; Y139-M172 HydrophobicContact CD1-SD 4.16Å; Y139-M172 HydrophobicContact CD2-CG 4.19Å; Y139-M172 HydrophobicContact CD2-SD 4.48Å; Y139-M172 HydrophobicContact CE1-CB 3.87Å; Y139-M172 HydrophobicContact CE1-CG 3.73Å; Y139-M172 HydrophobicContact CE2-CG 4.36Å; Y139-M172 HydrophobicContact CG-CG 3.81Å; Y139-M172 HydrophobicContact CG-SD 3.95Å; L141-M172 HydrophobicContact CD1-CE 4.45Å; L141-M172 HydrophobicContact CD1-SD 4.04Å; L141-M172 HydrophobicContact CD2-SD 4.28Å; L141-M172 HydrophobicContact CG-SD 4.47Å; E168-M172 WeakPolarHBondContact O-CB 3.36Å; E168-M172 PolarHBondContact O-N 2.77Å; L169-M172 HydrophobicContact CD2-CE 4.14Å; L169-M172 PolarHBondContact O-N 3.2Å; M172-N175 PolarHBondContact O-N 3.1Å; M172-N175 VanDerWaalsContact O-N 3.15Å; M172-L176 HydrophobicContact CE-CD1 4.15Å; M172-L176 HydrophobicContact CG-CD1 3.72Å; M172-L176 HydrophobicContact CG-CG 4.25Å; M172-L176 WeakPolarHBondContact O-CG 3.42Å; M172-L176 PolarHBondContact O-N 2.9Å; M172-L176 HydrophobicContact SD-CD1 4.35Å
173V94Very high92Very high70 Ų7061.1 Ų61.142%0.42431%0.309SS..Hα-helixtrans-62.1-48.2-173.4170.80000112.4L169 K171 N175 L176 L177L169-V173 WeakPolarHBondContact O-CB 3.35Å; L169-V173 WeakPolarHBondContact O-CG2 3.22Å; L169-V173 PolarHBondContact O-N 2.97Å; K171-V173 PolarHBondContact O-N 3.03Å; V173-N175 VanDerWaalsContact C-N 3.34Å; V173-N175 PolarHBondContact O-N 3.27Å; V173-L176 PolarHBondContact O-N 3.48Å; V173-L177 HydrophobicContact CG1-CD1 4.34Å; V173-L177 WeakPolarHBondContact O-CB 3.32Å; V173-L177 PolarHBondContact O-N 2.9Å
174P93.2Very high92Very high62 Ų6259.5 Ų59.540%0.40330%0.298SS..Hα-helixtrans-62-36.3172.4-25.535.8000114.1K170 K171 L176 G178K170-P174 WeakPolarHBondContact O-CD 3.35Å; K170-P174 VanDerWaalsContact O-CG 3.29Å; K170-P174 WeakPolarHBondContact O-CG 3.41Å; K171-P174 WeakPolarHBondContact O-CD 3.13Å; P174-L176 PolarHBondContact O-N 3.32Å; P174-G178 WeakPolarHBondContact O-CA 3.39Å; P174-G178 PolarHBondContact O-N 2.96Å
175N93Very high92Very high59 Ų5957.8 Ų57.832%0.31629%0.289SS..Hα-helixtrans-68.3-23.5178.2-72.25.7000112.7E101 Y139 K171 M172 V173 I181E101-N175 PolarHBondContact OE2-ND2 2.92Å; E101-N175 VanDerWaalsContact OE2-ND2 3.13Å; Y139-N175 WeakPolarHBondContact OH-CB 3.19Å; K171-N175 VanDerWaalsContact O-CG 3.28Å; K171-N175 PolarHBondContact O-N 2.91Å; K171-N175 PolarHBondContact O-OD1 3.36Å; M172-N175 PolarHBondContact O-N 3.1Å; M172-N175 VanDerWaalsContact O-N 3.15Å; V173-N175 VanDerWaalsContact C-N 3.34Å; V173-N175 PolarHBondContact O-N 3.27Å; N175-I181 WeakPolarHBondContact O-CG1 3.28Å; N175-I181 VanDerWaalsContact O-CG2 3.3Å; N175-I181 WeakPolarHBondContact O-CG2 3.39Å
176L91.7Very high91.9Very high4 Ų460 Ų602%0.02130%0.3CS..Hα-helixtrans-97.7-36.9177.9-65-179.2000113.4I45 V85 Y139 M172 V173 P174I45-L176 HydrophobicContact CD1-CD1 3.94Å; I45-L176 HydrophobicContact CG1-CD1 4.45Å; V85-L176 HydrophobicContact CG1-CD1 4.31Å; V85-L176 HydrophobicContact CG1-CD2 4.14Å; V85-L176 HydrophobicContact CG2-CD2 3.78Å; Y139-L176 HydrophobicContact CE2-CD2 4.05Å; Y139-L176 HydrophobicContact CE2-CG 4.47Å; M172-L176 HydrophobicContact CE-CD1 4.15Å; M172-L176 HydrophobicContact CG-CD1 3.72Å; M172-L176 HydrophobicContact CG-CG 4.25Å; M172-L176 WeakPolarHBondContact O-CG 3.42Å; M172-L176 PolarHBondContact O-N 2.9Å; M172-L176 HydrophobicContact SD-CD1 4.35Å; V173-L176 PolarHBondContact O-N 3.48Å; P174-L176 PolarHBondContact O-N 3.32Å
177L89.5Confident91.6Very high73 Ų7357 Ų5738%0.38229%0.29SS..Hα-helixtrans-118.43.3-169.1-56.5-179.9000113.4V173V173-L177 HydrophobicContact CG1-CD1 4.34Å; V173-L177 WeakPolarHBondContact O-CB 3.32Å; V173-L177 PolarHBondContact O-N 2.9Å
178G89Confident91.1Very high6 Ų653.7 Ų53.76%0.06228%0.276CS..  trans-62.9145.3178.800000111.9P174 H180 I181 L182P174-G178 WeakPolarHBondContact O-CA 3.39Å; P174-G178 PolarHBondContact O-N 2.96Å; G178-H180 PolarHBondContact O-N 3.12Å; G178-I181 PolarHBondContact O-N 3.43Å; G178-L182 WeakPolarHBondContact O-CG 3.23Å; G178-L182 PolarHBondContact O-N 3.31Å
179P86.1Confident90.6Very high63 Ų6355.7 Ų55.741%0.40930%0.3SS..THydrogen-bonded Turntrans-60.9-19.9-177.423-33000114I2I2-P179 HydrophobicContact CG2-CB 3.76Å
180H84.4Confident90.3Very high112 Ų11258.1 Ų58.152%0.51931%0.308SS..THydrogen-bonded Turntrans-86.5-16.6176.757.2-75.6000113.3V5 G178V5-H180 HydrophobicContact CG1-CB 3.8Å; G178-H180 PolarHBondContact O-N 3.12Å
181I87.1Confident90.2Very high58 Ų5855.6 Ų55.630%0.29731%0.305SS..THydrogen-bonded Turntrans-102.5-31.3-179.2-51-60.7000111.7N175 G178 K183N175-I181 WeakPolarHBondContact O-CG1 3.28Å; N175-I181 VanDerWaalsContact O-CG2 3.3Å; N175-I181 WeakPolarHBondContact O-CG2 3.39Å; G178-I181 PolarHBondContact O-N 3.43Å; I181-K183 PolarHBondContact O-N 3.26Å; I181-K183 VanDerWaalsContact O-N 3.13Å
182L87.3Confident90.1Very high28 Ų2851.2 Ų51.215%0.14729%0.287CS..  trans-55.2119.9-177.4-73.8172.7000111.7I2 F10 V12 G178I2-L182 HydrophobicContact CB-CD1 4.42Å; I2-L182 HydrophobicContact CD1-CD1 4Å; I2-L182 HydrophobicContact CG2-CD1 4.15Å; F10-L182 HydrophobicContact CD2-CB 4.42Å; F10-L182 WeakPolarHBondContact CE2-O 3.34Å; V12-L182 HydrophobicContact CG2-CD1 3.74Å; G178-L182 WeakPolarHBondContact O-CG 3.23Å; G178-L182 PolarHBondContact O-N 3.31Å
183K89.1Confident90Very high113 Ų11354 Ų5449%0.49131%0.306SS..  trans-107.1140.5172.5-64.3176.5-174.1173.80109.9I181I181-K183 PolarHBondContact O-N 3.26Å; I181-K183 VanDerWaalsContact O-N 3.13Å
184P93.3Very high89.9Confident44 Ų4453.9 Ų53.929%0.28631%0.307SS..  trans-62.4151.3170.828.4-34.3000109.9F10 Q82 I186 T191F10-P184 HydrophobicContact CZ-CG 4.49Å; Q82-P184 PolarHBondContact NE2-O 3.22Å; P184-I186 PolarHBondContact O-N 3.05Å; P184-T191 HydrophobicContact CB-CG2 4.27Å; P184-T191 HydrophobicContact CG-CG2 3.93Å
185K95.1Very high89.8Confident14 Ų1461.3 Ų61.36%0.06133%0.327CS..  trans-63.4127.8171.2177.360.8178.5177.70109.4I39 S41 V187 T191 V192 M197I39-K185 WeakPolarHBondContact O-CE 3.34Å; I39-K185 PolarHBondContact O-NZ 3.19Å; S41-K185 WeakPolarHBondContact O-CD 3.09Å; S41-K185 WeakPolarHBondContact O-CE 3.43Å; S41-K185 PolarHBondContact O-NZ 3.13Å; K185-V187 HydrophobicContact CD-CG2 4.34Å; K185-V187 HydrophobicContact CG-CG2 4.18Å; K185-T191 WeakPolarHBondContact O-CA 3.49Å; K185-V192 HydrophobicContact CB-CB 4.23Å; K185-V192 HydrophobicContact CG-CB 4.2Å; K185-V192 HydrophobicContact CG-CG2 4.14Å; K185-V192 PolarHBondContact O-N 2.95Å; K185-M197 HydrophobicContact CB-CE 3.78Å; K185-M197 HydrophobicContact CG-CE 3.84Å
186I92.9Very high89.7Confident55 Ų5561.7 Ų61.728%0.28233%0.326SS..EExtended strand (participates in β ladder)trans-110.9134.4173-60.2174000108.4P184 K190 T191P184-I186 PolarHBondContact O-N 3.05Å; I186-K190 VanDerWaalsContact CA-O 3.32Å; I186-K190 WeakPolarHBondContact CA-O 3.24Å; I186-T191 HydrophobicContact CG1-CG2 4.35Å
187V88.6Confident89.7Confident13 Ų1363.9 Ų63.98%0.07934%0.337CS..EExtended strand (participates in β ladder)trans-137.9132169.2-175.80000108.5K185 G189 K190 V192 Y200K185-V187 HydrophobicContact CD-CG2 4.34Å; K185-V187 HydrophobicContact CG-CG2 4.18Å; V187-G189 PolarHBondContact O-N 2.93Å; V187-K190 PolarHBondContact N-O 3.36Å; V187-K190 PolarHBondContact O-N 2.93Å; V187-V192 HydrophobicContact CB-CG2 4.08Å; V187-V192 HydrophobicContact CG2-CG2 3.82Å; V187-Y200 HydrophobicContact CB-CD1 4.27Å; V187-Y200 HydrophobicContact CB-CE1 3.57Å; V187-Y200 HydrophobicContact CG1-CD1 4.2Å; V187-Y200 HydrophobicContact CG1-CE1 3.57Å; V187-Y200 HydrophobicContact CG2-CD1 4.05Å; V187-Y200 HydrophobicContact CG2-CE1 3.85Å
188N84.1Confident89.8Confident26 Ų2665.5 Ų65.514%0.13935%0.345CS..THydrogen-bonded Turntrans51.142.4-177.4-52.9-36.6000112.3F77 K190 I227F77-N188 HydrophobicContact CD1-CB 4.24Å; F77-N188 WeakPolarHBondContact CD1-O 3.44Å; F77-N188 HydrophobicContact CD2-CB 4.13Å; F77-N188 HydrophobicContact CE1-CB 4.42Å; F77-N188 HydrophobicContact CE2-CB 4.29Å; F77-N188 HydrophobicContact CG-CB 4.09Å; F77-N188 HydrophobicContact CZ-CB 4.44Å; N188-K190 VanDerWaalsContact C-N 3.26Å; N188-K190 PolarHBondContact O-N 2.91Å; N188-I227 HydrophobicContact CB-CD1 4.12Å; N188-I227 HydrophobicContact CB-CG1 4.26Å; N188-I227 WeakPolarHBondContact ND2-CG1 3.4Å
189G85.8Confident89.9Confident53 Ų5368.3 Ų68.355%0.54636%0.356SS..THydrogen-bonded Turntrans72.66179.300000115.9V187V187-G189 PolarHBondContact O-N 2.93Å
190K88.1Confident90.2Very high95 Ų9565.7 Ų65.741%0.41334%0.338SS..EExtended strand (participates in β ladder)trans-117.6143.6179.4-63.4-175.5-171.9174.10112.3I186 V187 N188 E230I186-K190 VanDerWaalsContact CA-O 3.32Å; I186-K190 WeakPolarHBondContact CA-O 3.24Å; V187-K190 PolarHBondContact N-O 3.36Å; V187-K190 PolarHBondContact O-N 2.93Å; N188-K190 VanDerWaalsContact C-N 3.26Å; N188-K190 PolarHBondContact O-N 2.91Å; K190-E230 IonicContact NZ-OE2 2.67Å; K190-E230 PolarHBondContact NZ-OE2 3.39Å; K190-E230 VanDerWaalsContact NZ-OE2 3.09Å
191T92.4Very high90.5Very high88 Ų8864.5 Ų64.554%0.5433%0.332SS..EExtended strand (participates in β ladder)trans-69.3138.6172.352.20000111.3P184 K185 I186P184-T191 HydrophobicContact CB-CG2 4.27Å; P184-T191 HydrophobicContact CG-CG2 3.93Å; K185-T191 WeakPolarHBondContact O-CA 3.49Å; I186-T191 HydrophobicContact CG1-CG2 4.35Å
192V92.6Very high90.7Very high21 Ų2168.3 Ų68.313%0.12735%0.346CS..PPolyproline II helixtrans-103.2126.4-176-1780000110.1K185 V187 K196 M197 Y200K185-V192 HydrophobicContact CB-CB 4.23Å; K185-V192 HydrophobicContact CG-CB 4.2Å; K185-V192 HydrophobicContact CG-CG2 4.14Å; K185-V192 PolarHBondContact O-N 2.95Å; V187-V192 HydrophobicContact CB-CG2 4.08Å; V187-V192 HydrophobicContact CG2-CG2 3.82Å; V192-K196 HydrophobicContact CG1-CB 3.93Å; V192-M197 HydrophobicContact CG1-CB 3.96Å; V192-M197 HydrophobicContact CG1-CE 4.42Å; V192-Y200 HydrophobicContact CG2-CE1 4.36Å
193T92.9Very high90.9Very high77 Ų7768.5 Ų68.547%0.47235%0.346SS..PPolyproline II helixtrans-87.4161.4172.667.10000110.9R195 K196 M197T193-R195 PolarHBondContact O-N 2.8Å; T193-K196 CarbonylContact O-C 3.57Å; T193-K196 PolarHBondContact O-N 3.09Å; T193-K196 PolarHBondContact OG1-N 3.27Å; T193-M197 PolarHBondContact O-N 2.93Å
194C92.2Very high91.1Very high67 Ų6763.2 Ų63.245%0.45332%0.323SS..Hα-helixtrans-55.5-38.8178-59.10000113.4A11 M197 I198A11-C194 WeakPolarHBondContact CB-SG 3.4Å; C194-M197 PolarHBondContact O-N 2.88Å; C194-I198 PolarHBondContact O-N 3.3Å
195R90.4Very high90.9Very high218 Ų21862.8 Ų62.882%0.82332%0.323SS*.Hα-helixtrans-62.1-45.5177-176.8-179.4-65.6-178.7-0.1111.1T193T193-R195 PolarHBondContact O-N 2.8Å
196K90.6Very high90.7Very high67 Ų6765 Ų6529%0.29134%0.344SS..Hα-helixtrans-66.4-40.8176.3-71.9-175.1173.4-1650111.1V192 T193 I198 Q199 Y200 E230V192-K196 HydrophobicContact CG1-CB 3.93Å; T193-K196 CarbonylContact O-C 3.57Å; T193-K196 PolarHBondContact O-N 3.09Å; T193-K196 PolarHBondContact OG1-N 3.27Å; K196-I198 VanDerWaalsContact C-N 3.25Å; K196-I198 PolarHBondContact O-N 2.96Å; K196-Q199 WeakPolarHBondContact O-CA 3.48Å; K196-Q199 VanDerWaalsContact O-CB 3.32Å; K196-Q199 WeakPolarHBondContact O-CB 3.4Å; K196-Q199 PolarHBondContact O-N 3.2Å; K196-Y200 HydrophobicContact CB-CD2 4.31Å; K196-Y200 HydrophobicContact CB-CE2 4.13Å; K196-Y200 WeakPolarHBondContact O-CD2 3.46Å; K196-Y200 PolarHBondContact O-N 2.57Å; K196-E230 WeakPolarHBondContact CD-OE1 3.46Å; K196-E230 VanDerWaalsContact CE-OE1 3.31Å; K196-E230 WeakPolarHBondContact CE-OE1 3.42Å; K196-E230 IonicContact NZ-OE1 3.98Å; K196-E230 PolarHBondContact NZ-OE1 2.74Å; K196-E230 IonicContact NZ-OE2 2.7Å
197M92.6Very high90.4Very high51 Ų5164.2 Ų64.225%0.25134%0.343SS..Hα-helixtrans-55.2-38.9-179.5-175.8160.7-86.500112.9K185 V192 T193 C194 Q199 Y200 F201K185-M197 HydrophobicContact CB-CE 3.78Å; K185-M197 HydrophobicContact CG-CE 3.84Å; V192-M197 HydrophobicContact CG1-CB 3.96Å; V192-M197 HydrophobicContact CG1-CE 4.42Å; T193-M197 PolarHBondContact O-N 2.93Å; C194-M197 PolarHBondContact O-N 2.88Å; M197-Q199 VanDerWaalsContact C-N 3.34Å; M197-Q199 PolarHBondContact O-N 3.34Å; M197-Y200 PolarHBondContact O-N 3.31Å; M197-F201 WeakPolarHBondContact O-CB 3.34Å; M197-F201 PolarHBondContact O-N 2.92Å
198I91.7Very high90.3Very high107 Ų10764.3 Ų64.355%0.54934%0.343SS..Hα-helixtrans-62.1-41.9174.4-64.3169.1000111.4C194 K196 K202C194-I198 PolarHBondContact O-N 3.3Å; K196-I198 VanDerWaalsContact C-N 3.25Å; K196-I198 PolarHBondContact O-N 2.96Å; I198-K202 HydrophobicContact CG2-CD 4.45Å; I198-K202 WeakPolarHBondContact O-CG 3.5Å; I198-K202 PolarHBondContact O-N 3.33Å; I198-K202 VanDerWaalsContact O-N 3.1Å
199Q90.8Very high90.1Very high65 Ų6570.1 Ų70.130%0.30437%0.374SS..Hα-helixtrans-65.9-43.6177.5-175.9-177.8-8.900111.3K196 M197 F201 K202 E203 L226K196-Q199 WeakPolarHBondContact O-CA 3.48Å; K196-Q199 VanDerWaalsContact O-CB 3.32Å; K196-Q199 WeakPolarHBondContact O-CB 3.4Å; K196-Q199 PolarHBondContact O-N 3.2Å; M197-Q199 VanDerWaalsContact C-N 3.34Å; M197-Q199 PolarHBondContact O-N 3.34Å; Q199-F201 VanDerWaalsContact C-N 3.35Å; Q199-F201 PolarHBondContact O-N 3.4Å; Q199-K202 PolarHBondContact O-N 3.43Å; Q199-E203 WeakPolarHBondContact O-CG 3.45Å; Q199-E203 PolarHBondContact O-N 3.4Å; Q199-L226 HydrophobicContact CG-CD2 4.2Å
200Y91.4Very high89.6Confident8 Ų869.7 Ų69.73%0.03137%0.369CS..Hα-helixtrans-59.8-47.7177-81-123.1000110.6V187 V192 K196 M197 K202 E203 Y204 L226 E230V187-Y200 HydrophobicContact CB-CD1 4.27Å; V187-Y200 HydrophobicContact CB-CE1 3.57Å; V187-Y200 HydrophobicContact CG1-CD1 4.2Å; V187-Y200 HydrophobicContact CG1-CE1 3.57Å; V187-Y200 HydrophobicContact CG2-CD1 4.05Å; V187-Y200 HydrophobicContact CG2-CE1 3.85Å; V192-Y200 HydrophobicContact CG2-CE1 4.36Å; K196-Y200 HydrophobicContact CB-CD2 4.31Å; K196-Y200 HydrophobicContact CB-CE2 4.13Å; K196-Y200 WeakPolarHBondContact O-CD2 3.46Å; K196-Y200 PolarHBondContact O-N 2.57Å; M197-Y200 PolarHBondContact O-N 3.31Å; Y200-K202 VanDerWaalsContact C-N 3.31Å; Y200-K202 PolarHBondContact O-N 3.04Å; Y200-E203 PolarHBondContact O-N 3.05Å; Y200-Y204 HydrophobicContact CD1-CE2 4.01Å; Y200-Y204 HydrophobicContact CG-CE2 4.49Å; Y200-Y204 WeakPolarHBondContact O-CD2 3.43Å; Y200-Y204 PolarHBondContact O-N 3.01Å; Y200-L226 HydrophobicContact CD1-CD1 3.64Å; Y200-L226 HydrophobicContact CD2-CD1 4.23Å; Y200-L226 HydrophobicContact CD2-CD2 3.79Å; Y200-L226 HydrophobicContact CE1-CD1 3.91Å; Y200-L226 HydrophobicContact CE2-CD2 4.04Å; Y200-L226 HydrophobicContact CG-CD1 3.82Å; Y200-L226 HydrophobicContact CG-CD2 4.16Å; Y200-E230 PolarHBondContact OH-OE1 2.9Å
201F91.8Very high88.5Confident87 Ų8773.9 Ų73.938%0.38239%0.39SS..Hα-helixtrans-56.9-44.8177.5-168.2-87.7000112M15 V40 M197 Q199 A205M15-F201 HydrophobicContact CE-CE2 4.42Å; V40-F201 HydrophobicContact CG1-CD2 4.1Å; M197-F201 WeakPolarHBondContact O-CB 3.34Å; M197-F201 PolarHBondContact O-N 2.92Å; Q199-F201 VanDerWaalsContact C-N 3.35Å; Q199-F201 PolarHBondContact O-N 3.4Å; F201-A205 WeakPolarHBondContact O-CB 3.47Å; F201-A205 PolarHBondContact O-N 3.42Å
202K91.9Very high87.8Confident138 Ų13874.7 Ų74.760%0.640%0.395SS*.Hα-helixtrans-61.2-44.6176.9-74176.6178.6-173.20112.5I198 Q199 Y200 A206I198-K202 HydrophobicContact CG2-CD 4.45Å; I198-K202 WeakPolarHBondContact O-CG 3.5Å; I198-K202 PolarHBondContact O-N 3.33Å; I198-K202 VanDerWaalsContact O-N 3.1Å; Q199-K202 PolarHBondContact O-N 3.43Å; Y200-K202 VanDerWaalsContact C-N 3.31Å; Y200-K202 PolarHBondContact O-N 3.04Å; K202-A206 VanDerWaalsContact O-CB 3.3Å; K202-A206 WeakPolarHBondContact O-CB 3.24Å; K202-A206 PolarHBondContact O-N 2.77Å
203E91.4Very high87.4Confident32 Ų3277.3 Ų77.315%0.1541%0.408CS..Hα-helixtrans-69.8-40.2-178.5-67.8-61.9164.300112.3Q199 Y200 S207 K225 L226Q199-E203 WeakPolarHBondContact O-CG 3.45Å; Q199-E203 PolarHBondContact O-N 3.4Å; Y200-E203 PolarHBondContact O-N 3.05Å; E203-S207 WeakPolarHBondContact O-CB 3.34Å; E203-S207 PolarHBondContact O-N 3.19Å; E203-S207 PolarHBondContact O-OG 3.41Å; E203-K225 IonicContact OE1-NZ 3.77Å; E203-K225 PolarHBondContact OE1-NZ 3.37Å; E203-K225 WeakPolarHBondContact OE2-CD 3.44Å; E203-K225 WeakPolarHBondContact OE2-CE 3.44Å; E203-K225 IonicContact OE2-NZ 2.76Å; E203-K225 PolarHBondContact OE2-NZ 3.31Å; E203-L226 HydrophobicContact CB-CD1 4.3Å; E203-L226 HydrophobicContact CB-CD2 4.05Å; E203-L226 HydrophobicContact CB-CG 4.14Å; E203-L226 HydrophobicContact CG-CD2 3.7Å; E203-L226 HydrophobicContact CG-CG 4.18Å
204Y92.2Very high87Confident2 Ų274.2 Ų74.21%0.00839%0.389CS..Hα-helixtrans-68.1-43.8174.3-64.2-52.1000111.9I39 V40 Y200 A206 S207 F208 I219 A222 N223 L226I39-Y204 HydrophobicContact CG2-CD1 4.13Å; I39-Y204 HydrophobicContact CG2-CD2 3.83Å; I39-Y204 HydrophobicContact CG2-CE1 3.76Å; I39-Y204 HydrophobicContact CG2-CE2 3.4Å; I39-Y204 VanDerWaalsContact CG2-CE2 3.4Å; I39-Y204 HydrophobicContact CG2-CG 4.18Å; V40-Y204 HydrophobicContact CG1-CD2 3.93Å; V40-Y204 HydrophobicContact CG1-CE2 4.36Å; Y200-Y204 HydrophobicContact CD1-CE2 4.01Å; Y200-Y204 HydrophobicContact CG-CE2 4.49Å; Y200-Y204 WeakPolarHBondContact O-CD2 3.43Å; Y200-Y204 PolarHBondContact O-N 3.01Å; Y204-A206 VanDerWaalsContact C-N 3.31Å; Y204-A206 PolarHBondContact O-N 3.19Å; Y204-S207 PolarHBondContact O-N 3.4Å; Y204-S207 VanDerWaalsContact O-N 3.07Å; Y204-F208 PolarHBondContact O-N 3.25Å; Y204-F208 VanDerWaalsContact O-N 3.13Å; Y204-I219 HydrophobicContact CE1-CG2 4.46Å; Y204-A222 HydrophobicContact CD1-CB 3.6Å; Y204-A222 HydrophobicContact CE1-CB 3.8Å; Y204-N223 PolarHBondContact OH-OD1 3.37Å; Y204-L226 HydrophobicContact CE1-CD1 4.28Å; Y204-L226 HydrophobicContact CE2-CD1 4.41Å
205A90.2Very high86.9Confident35 Ų3575.6 Ų75.629%0.28939%0.389SS..Hα-helixtrans-58.8-44.5176.800000111.3F201 S207 F208 D209F201-A205 WeakPolarHBondContact O-CB 3.47Å; F201-A205 PolarHBondContact O-N 3.42Å; A205-S207 VanDerWaalsContact C-N 3.29Å; A205-S207 PolarHBondContact O-N 2.76Å; A205-F208 CarbonylContact O-C 3.56Å; A205-F208 PolarHBondContact O-N 3.11Å; A205-D209 PolarHBondContact O-N 3.04Å; A205-D209 VanDerWaalsContact O-N 3.14Å
206A90.3Very high86.9Confident59 Ų5965.7 Ų65.749%0.48835%0.353SS..Hα-helixtrans-65.3-31.1175.800000113.1K202 Y204 F208 D209K202-A206 VanDerWaalsContact O-CB 3.3Å; K202-A206 WeakPolarHBondContact O-CB 3.24Å; K202-A206 PolarHBondContact O-N 2.77Å; Y204-A206 VanDerWaalsContact C-N 3.31Å; Y204-A206 PolarHBondContact O-N 3.19Å; A206-F208 VanDerWaalsContact C-N 3.26Å; A206-F208 PolarHBondContact O-N 3.4Å; A206-D209 WeakPolarHBondContact O-CB 3.1Å; A206-D209 PolarHBondContact O-N 2.97Å
207S87.1Confident86.9Confident39 Ų3966.9 Ų66.927%0.27336%0.359SS..Hα-helixtrans-76.8-14.9179-58.80000113.4E203 Y204 A205 A222E203-S207 WeakPolarHBondContact O-CB 3.34Å; E203-S207 PolarHBondContact O-N 3.19Å; E203-S207 PolarHBondContact O-OG 3.41Å; Y204-S207 PolarHBondContact O-N 3.4Å; Y204-S207 VanDerWaalsContact O-N 3.07Å; A205-S207 VanDerWaalsContact C-N 3.29Å; A205-S207 PolarHBondContact O-N 2.76Å; S207-A222 WeakPolarHBondContact OG-CB 3.26Å
208F86.2Confident86.8Confident16 Ų1666 Ų667%0.0736%0.359CS..THydrogen-bonded Turntrans-108.37.9172.6-57-31.4000112.6T32 A35 L36 I39 Y204 A205 A206 G210 P214 I219T32-F208 HydrophobicContact CG2-CB 3.84Å; T32-F208 HydrophobicContact CG2-CD2 4.24Å; T32-F208 HydrophobicContact CG2-CG 4.44Å; A35-F208 HydrophobicContact CB-CE2 3.94Å; A35-F208 HydrophobicContact CB-CZ 4.22Å; L36-F208 HydrophobicContact CD1-CD2 4.36Å; L36-F208 HydrophobicContact CD2-CD2 3.48Å; L36-F208 VanDerWaalsContact CD2-CD2 3.48Å; L36-F208 HydrophobicContact CD2-CE2 3.64Å; L36-F208 HydrophobicContact CG-CD2 3.64Å; L36-F208 HydrophobicContact CG-CE2 3.89Å; I39-F208 HydrophobicContact CD1-CE2 3.92Å; I39-F208 HydrophobicContact CD1-CZ 3.65Å; Y204-F208 PolarHBondContact O-N 3.25Å; Y204-F208 VanDerWaalsContact O-N 3.13Å; A205-F208 CarbonylContact O-C 3.56Å; A205-F208 PolarHBondContact O-N 3.11Å; A206-F208 VanDerWaalsContact C-N 3.26Å; A206-F208 PolarHBondContact O-N 3.4Å; F208-G210 PolarHBondContact O-N 3.14Å; F208-G210 VanDerWaalsContact O-N 3.16Å; F208-P214 HydrophobicContact CD1-CB 3.82Å; F208-P214 HydrophobicContact CD1-CG 4.41Å; F208-P214 HydrophobicContact CE1-CB 3.72Å; F208-P214 HydrophobicContact CG-CB 4.27Å; F208-P214 HydrophobicContact CG-CG 4.4Å; F208-P214 HydrophobicContact CZ-CB 4.06Å; F208-I219 HydrophobicContact CE1-CG1 3.83Å; F208-I219 HydrophobicContact CZ-CD1 4.23Å; F208-I219 HydrophobicContact CZ-CG1 3.65Å
209D79.8Confident86.7Confident148 Ų14861 Ų6179%0.79133%0.333SS*.  trans-71.9107.2177.7-164.823.3000109.1A205 A206A205-D209 PolarHBondContact O-N 3.04Å; A205-D209 VanDerWaalsContact O-N 3.14Å; A206-D209 WeakPolarHBondContact O-CB 3.1Å; A206-D209 PolarHBondContact O-N 2.97Å
210G74.8Confident86.7Confident43 Ų4358.4 Ų58.444%0.44332%0.321SS..SBendtrans160.8176.4-17800000114.6Q28 F208 T212Q28-G210 PolarHBondContact NE2-O 3.34Å; F208-G210 PolarHBondContact O-N 3.14Å; F208-G210 VanDerWaalsContact O-N 3.16Å; G210-T212 VanDerWaalsContact C-N 3.3Å
211E64.9Low86.5Confident184 Ų18460.8 Ų60.886%0.8633%0.334SS*.SBendtrans-89.510.5177.2-63.8-171.9169.800113.2Q28Q28-E211 PolarHBondContact NE2-O 3.48Å; Q28-E211 PolarHBondContact OE1-O 3.35Å; Q28-E211 VanDerWaalsContact OE1-O 3.12Å
212T78.8Confident86.5Confident104 Ų10456.7 Ų56.764%0.63832%0.317SS*.SBendtrans-106.5153.2178.956.50000112Q28 G210Q28-T212 VanDerWaalsContact NE2-C 3.33Å; Q28-T212 VanDerWaalsContact NE2-N 3.17Å; Q28-T212 PolarHBondContact NE2-O 2.93Å; G210-T212 VanDerWaalsContact C-N 3.3Å
213L82.9Confident86.4Confident77 Ų7750.4 Ų50.440%0.40329%0.29SS..  trans-61.4143.1172.9-75.9167.5000110.3Y27 Q28 M31 Q215Y27-L213 HydrophobicContact CD1-CD2 4.37Å; Y27-L213 HydrophobicContact CE1-CD2 4.37Å; Q28-L213 HydrophobicContact CB-CD2 4.06Å; Q28-L213 HydrophobicContact CG-CD2 3.83Å; Q28-L213 HydrophobicContact CG-CG 4.24Å; M31-L213 HydrophobicContact CB-CD2 3.94Å; M31-L213 HydrophobicContact CG-CD2 4.21Å; L213-Q215 WeakPolarHBondContact O-CG 3.38Å; L213-Q215 PolarHBondContact O-N 3.5Å; L213-Q215 PolarHBondContact O-NE2 3.03Å
214P84.9Confident86.3Confident12 Ų1249.2 Ų49.28%0.07829%0.285CS..  trans-49.8132.5172.9-25.532.8000111.1T32 A35 L62 F208T32-P214 HydrophobicContact CG2-CG 4.45Å; A35-P214 HydrophobicContact CB-CB 4.14Å; A35-P214 HydrophobicContact CB-CG 4.09Å; L62-P214 WeakPolarHBondContact CD1-O 3.32Å; L62-P214 HydrophobicContact CD2-CB 3.83Å; F208-P214 HydrophobicContact CD1-CB 3.82Å; F208-P214 HydrophobicContact CD1-CG 4.41Å; F208-P214 HydrophobicContact CE1-CB 3.72Å; F208-P214 HydrophobicContact CG-CB 4.27Å; F208-P214 HydrophobicContact CG-CG 4.4Å; F208-P214 HydrophobicContact CZ-CB 4.06Å
215Q90.1Very high86.2Confident95 Ų9552.6 Ų52.644%0.44430%0.3SS..  trans-110.8146.5-179.5-62.6-59.6-53.700110.7L213 Q217 S218 I219L213-Q215 WeakPolarHBondContact O-CG 3.38Å; L213-Q215 PolarHBondContact O-N 3.5Å; L213-Q215 PolarHBondContact O-NE2 3.03Å; Q215-Q217 PolarHBondContact O-N 2.99Å; Q215-S218 WeakPolarHBondContact O-CB 3.24Å; Q215-S218 PolarHBondContact O-N 3.36Å; Q215-I219 PolarHBondContact O-N 3.23Å
216P90.8Very high86.2Confident10 Ų1051 Ų517%0.06529%0.286CS..Hα-helixtrans-52.3-41.7175.2-26.733.4000112.8L62 E65 Y66 I69 S218 I219 L220L62-P216 HydrophobicContact CD1-CG 3.91Å; E65-P216 HydrophobicContact CB-CG 3.78Å; E65-P216 HydrophobicContact CG-CG 3.82Å; E65-P216 WeakPolarHBondContact OE2-CG 3.49Å; Y66-P216 WeakPolarHBondContact CD2-O 3.17Å; I69-P216 HydrophobicContact CD1-CB 3.64Å; I69-P216 HydrophobicContact CG1-CB 4.49Å; P216-S218 VanDerWaalsContact C-N 3.27Å; P216-S218 PolarHBondContact O-N 3.17Å; P216-I219 WeakPolarHBondContact O-CB 3.34Å; P216-I219 PolarHBondContact O-N 2.87Å; P216-I219 VanDerWaalsContact O-N 3.14Å; P216-L220 PolarHBondContact O-N 3.33Å; P216-L220 VanDerWaalsContact O-N 3.08Å
217Q89.9Confident86.2Confident92 Ų9249 Ų4943%0.4327%0.268SS..Hα-helixtrans-63.7-32.6-179.6-169.560.945.500112.5Q215 I219 L220 N221Q215-Q217 PolarHBondContact O-N 2.99Å; Q217-I219 VanDerWaalsContact C-N 3.34Å; Q217-L220 PolarHBondContact O-N 2.93Å; Q217-N221 PolarHBondContact NE2-OD1 3.04Å; Q217-N221 WeakPolarHBondContact O-CB 3.2Å; Q217-N221 PolarHBondContact O-N 3.04Å; Q217-N221 PolarHBondContact O-ND2 3.26Å
218S90.1Very high86.4Confident34 Ų3447.4 Ų47.424%0.23826%0.256CS..Hα-helixtrans-63.5-41.3175.5-62.40000111.2Q215 P216 N221 A222Q215-S218 WeakPolarHBondContact O-CB 3.24Å; Q215-S218 PolarHBondContact O-N 3.36Å; P216-S218 VanDerWaalsContact C-N 3.27Å; P216-S218 PolarHBondContact O-N 3.17Å; S218-N221 PolarHBondContact O-N 2.82Å; S218-A222 WeakPolarHBondContact O-CB 3.41Å; S218-A222 PolarHBondContact O-N 3.45Å
219I90.9Very high86.6Confident1 Ų148.3 Ų48.31%0.00526%0.261CS..Hα-helixtrans-65.2-45.6176.7-53.7170.4000110.3I39 L62 Y66 Y204 F208 Q215 P216 Q217 N221 A222 N223I39-I219 HydrophobicContact CD1-CD1 3.6Å; I39-I219 HydrophobicContact CD1-CG1 3.71Å; I39-I219 HydrophobicContact CD1-CG2 4.03Å; I39-I219 HydrophobicContact CG1-CD1 4.39Å; I39-I219 HydrophobicContact CG1-CG2 4.49Å; L62-I219 HydrophobicContact CD1-CD1 4.29Å; L62-I219 HydrophobicContact CG-CD1 4.34Å; Y66-I219 HydrophobicContact CD1-CG2 4.23Å; Y66-I219 HydrophobicContact CD2-CB 3.58Å; Y66-I219 HydrophobicContact CD2-CD1 4.25Å; Y66-I219 HydrophobicContact CD2-CG1 4.47Å; Y66-I219 HydrophobicContact CD2-CG2 3.69Å; Y66-I219 HydrophobicContact CE1-CG2 3.95Å; Y66-I219 HydrophobicContact CE2-CB 3.67Å; Y66-I219 HydrophobicContact CE2-CG2 3.41Å; Y66-I219 VanDerWaalsContact CE2-CG2 3.41Å; Y66-I219 HydrophobicContact CG-CB 4.21Å; Y66-I219 HydrophobicContact CG-CD1 4.07Å; Y66-I219 HydrophobicContact CG-CG2 4.1Å; Y204-I219 HydrophobicContact CE1-CG2 4.46Å; F208-I219 HydrophobicContact CE1-CG1 3.83Å; F208-I219 HydrophobicContact CZ-CD1 4.23Å; F208-I219 HydrophobicContact CZ-CG1 3.65Å; Q215-I219 PolarHBondContact O-N 3.23Å; P216-I219 WeakPolarHBondContact O-CB 3.34Å; P216-I219 PolarHBondContact O-N 2.87Å; P216-I219 VanDerWaalsContact O-N 3.14Å; Q217-I219 VanDerWaalsContact C-N 3.34Å; I219-N221 PolarHBondContact O-N 2.98Å; I219-A222 PolarHBondContact O-N 3.2Å; I219-N223 WeakPolarHBondContact O-CB 3.43Å; I219-N223 PolarHBondContact O-N 2.91Å; I219-N223 PolarHBondContact O-ND2 3.29Å
220L89.6Confident87.1Confident10 Ų1042.4 Ų42.45%0.05223%0.229CC..Hα-helixtrans-61-45.1178.7-176.764.3000111.6Y66 I69 Q73 P216 Q217 N223 A224 I279Y66-L220 HydrophobicContact CE2-CB 4.06Å; I69-L220 HydrophobicContact CD1-CB 3.93Å; I69-L220 HydrophobicContact CD1-CD2 4Å; I69-L220 HydrophobicContact CG1-CD2 4.41Å; Q73-L220 HydrophobicContact CG-CD1 4.05Å; P216-L220 PolarHBondContact O-N 3.33Å; P216-L220 VanDerWaalsContact O-N 3.08Å; Q217-L220 PolarHBondContact O-N 2.93Å; L220-N223 PolarHBondContact O-N 2.93Å; L220-A224 WeakPolarHBondContact O-CB 3.3Å; L220-A224 PolarHBondContact O-N 3.35Å; L220-I279 HydrophobicContact CD1-CG2 3.75Å; L220-I279 HydrophobicContact CG-CG2 4.3Å
221N88.8Confident87.9Confident59 Ų5941 Ų4132%0.31621%0.213SC..Hα-helixtrans-65.3-40.9177.7-71.7-15.7000112Q217 S218 I219 N223 A224 K225Q217-N221 PolarHBondContact NE2-OD1 3.04Å; Q217-N221 WeakPolarHBondContact O-CB 3.2Å; Q217-N221 PolarHBondContact O-N 3.04Å; Q217-N221 PolarHBondContact O-ND2 3.26Å; S218-N221 PolarHBondContact O-N 2.82Å; I219-N221 PolarHBondContact O-N 2.98Å; N221-N223 VanDerWaalsContact C-N 3.33Å; N221-N223 PolarHBondContact O-N 3.4Å; N221-A224 PolarHBondContact O-N 3.38Å; N221-K225 WeakPolarHBondContact O-CB 3.48Å; N221-K225 PolarHBondContact O-N 2.92Å
222A90.8Very high89.2Confident1 Ų132.9 Ų32.91%0.00818%0.177CC..Hα-helixtrans-60.1-44.4174.200000111.3Y204 S207 S218 I219 K225 L226Y204-A222 HydrophobicContact CD1-CB 3.6Å; Y204-A222 HydrophobicContact CE1-CB 3.8Å; S207-A222 WeakPolarHBondContact OG-CB 3.26Å; S218-A222 WeakPolarHBondContact O-CB 3.41Å; S218-A222 PolarHBondContact O-N 3.45Å; I219-A222 PolarHBondContact O-N 3.2Å; A222-K225 PolarHBondContact O-N 3.39Å; A222-L226 WeakPolarHBondContact O-CB 3.48Å; A222-L226 WeakPolarHBondContact O-CG 3.46Å; A222-L226 PolarHBondContact O-N 2.67Å
223N90.4Very high89.9Confident6 Ų634 Ų343%0.03218%0.175CC..Hα-helixtrans-64.5-44.4176.7-80.8-30.8000112.6Y66 Y204 I219 L220 N221 K225 L226 I227Y66-N223 PolarHBondContact OH-ND2 3.23Å; Y204-N223 PolarHBondContact OH-OD1 3.37Å; I219-N223 WeakPolarHBondContact O-CB 3.43Å; I219-N223 PolarHBondContact O-N 2.91Å; I219-N223 PolarHBondContact O-ND2 3.29Å; L220-N223 PolarHBondContact O-N 2.93Å; N221-N223 VanDerWaalsContact C-N 3.33Å; N221-N223 PolarHBondContact O-N 3.4Å; N223-K225 VanDerWaalsContact C-N 3.31Å; N223-K225 PolarHBondContact O-N 3.46Å; N223-L226 PolarHBondContact O-N 2.71Å; N223-I227 VanDerWaalsContact O-CG1 3.24Å; N223-I227 WeakPolarHBondContact O-CG1 3.43Å; N223-I227 PolarHBondContact O-N 3.01Å
224A88.9Confident90.4Very high7 Ų735.5 Ų35.56%0.05818%0.18CC..Hα-helixtrans-57-45.1173.800000112L220 N221 I227 C228 I279L220-A224 WeakPolarHBondContact O-CB 3.3Å; L220-A224 PolarHBondContact O-N 3.35Å; N221-A224 PolarHBondContact O-N 3.38Å; A224-I227 PolarHBondContact O-N 3.13Å; A224-C228 PolarHBondContact O-N 3.07Å; A224-C228 PolarHBondContact O-SG 3.3Å; A224-I279 HydrophobicContact CB-CB 4.19Å; A224-I279 HydrophobicContact CB-CG2 4.15Å; A224-I279 WeakPolarHBondContact CB-O 3.34Å
225K90.1Very high90.9Very high73 Ų7335 Ų3532%0.31718%0.176SC..Hα-helixtrans-61.9-47.2176.7-175.2177.7177-165.50111.6E203 N221 A222 N223 I227 C228 I229 V284E203-K225 IonicContact OE1-NZ 3.77Å; E203-K225 PolarHBondContact OE1-NZ 3.37Å; E203-K225 WeakPolarHBondContact OE2-CD 3.44Å; E203-K225 WeakPolarHBondContact OE2-CE 3.44Å; E203-K225 IonicContact OE2-NZ 2.76Å; E203-K225 PolarHBondContact OE2-NZ 3.31Å; N221-K225 WeakPolarHBondContact O-CB 3.48Å; N221-K225 PolarHBondContact O-N 2.92Å; A222-K225 PolarHBondContact O-N 3.39Å; N223-K225 VanDerWaalsContact C-N 3.31Å; N223-K225 PolarHBondContact O-N 3.46Å; K225-I227 PolarHBondContact O-N 3.47Å; K225-C228 PolarHBondContact O-N 2.91Å; K225-I229 HydrophobicContact CG-CD1 3.96Å; K225-I229 HydrophobicContact CG-CG1 4.48Å; K225-I229 WeakPolarHBondContact O-CG1 3.33Å; K225-I229 PolarHBondContact O-N 3.12Å; K225-V284 HydrophobicContact CB-CG1 3.88Å; K225-V284 HydrophobicContact CD-CG1 4.5Å; K225-V284 HydrophobicContact CG-CG1 3.8Å
226L90.8Very high91.2Very high1 Ų134 Ų341%0.00517%0.171CC..Hα-helixtrans-59.9-45.1178.1-75.7164.8000111.9Q199 Y200 E203 Y204 A222 N223 C228 I229 E230Q199-L226 HydrophobicContact CG-CD2 4.2Å; Y200-L226 HydrophobicContact CD1-CD1 3.64Å; Y200-L226 HydrophobicContact CD2-CD1 4.23Å; Y200-L226 HydrophobicContact CD2-CD2 3.79Å; Y200-L226 HydrophobicContact CE1-CD1 3.91Å; Y200-L226 HydrophobicContact CE2-CD2 4.04Å; Y200-L226 HydrophobicContact CG-CD1 3.82Å; Y200-L226 HydrophobicContact CG-CD2 4.16Å; E203-L226 HydrophobicContact CB-CD1 4.3Å; E203-L226 HydrophobicContact CB-CD2 4.05Å; E203-L226 HydrophobicContact CB-CG 4.14Å; E203-L226 HydrophobicContact CG-CD2 3.7Å; E203-L226 HydrophobicContact CG-CG 4.18Å; Y204-L226 HydrophobicContact CE1-CD1 4.28Å; Y204-L226 HydrophobicContact CE2-CD1 4.41Å; A222-L226 WeakPolarHBondContact O-CB 3.48Å; A222-L226 WeakPolarHBondContact O-CG 3.46Å; A222-L226 PolarHBondContact O-N 2.67Å; N223-L226 PolarHBondContact O-N 2.71Å; L226-C228 VanDerWaalsContact C-N 3.31Å; L226-C228 PolarHBondContact O-N 3.35Å; L226-I229 PolarHBondContact O-N 3.01Å; L226-E230 WeakPolarHBondContact O-CG 3.2Å; L226-E230 PolarHBondContact O-N 3.28Å
227I90.1Very high91.4Very high18 Ų1835.8 Ų35.89%0.09218%0.181CC..Hα-helixtrans-57.7-45.7175.4-67.3164.5000110.5F77 N188 N223 A224 K225 E230 A231 P277 I279F77-I227 HydrophobicContact CE2-CD1 3.88Å; F77-I227 HydrophobicContact CZ-CD1 3.88Å; N188-I227 HydrophobicContact CB-CD1 4.12Å; N188-I227 HydrophobicContact CB-CG1 4.26Å; N188-I227 WeakPolarHBondContact ND2-CG1 3.4Å; N223-I227 VanDerWaalsContact O-CG1 3.24Å; N223-I227 WeakPolarHBondContact O-CG1 3.43Å; N223-I227 PolarHBondContact O-N 3.01Å; A224-I227 PolarHBondContact O-N 3.13Å; K225-I227 PolarHBondContact O-N 3.47Å; I227-E230 PolarHBondContact O-N 2.96Å; I227-A231 WeakPolarHBondContact O-CB 3.45Å; I227-A231 PolarHBondContact O-N 2.93Å; I227-P277 HydrophobicContact CG2-CG 4.3Å; I227-I279 HydrophobicContact CD1-CD1 4.21Å
228C91.1Very high91.8Very high5 Ų534.4 Ų34.43%0.03418%0.177CC..Hα-helixtrans-64.9-41.2178.5-66.50000112.2A224 K225 L226 E230 A231 A232 L288A224-C228 PolarHBondContact O-N 3.07Å; A224-C228 PolarHBondContact O-SG 3.3Å; K225-C228 PolarHBondContact O-N 2.91Å; L226-C228 VanDerWaalsContact C-N 3.31Å; L226-C228 PolarHBondContact O-N 3.35Å; C228-E230 VanDerWaalsContact C-N 3.34Å; C228-E230 PolarHBondContact O-N 3.49Å; C228-A231 PolarHBondContact O-N 3.43Å; C228-A232 WeakPolarHBondContact O-CB 3.39Å; C228-A232 PolarHBondContact O-N 2.89Å; C228-L288 HydrophobicContact CB-CD1 3.32Å
229I90.3Very high92.1Very high34 Ų3433 Ų3317%0.17417%0.167CC..Hα-helixtrans-63.2-42.7176.8-65164.1000110.5K225 L226 A232 H233 L288K225-I229 HydrophobicContact CG-CD1 3.96Å; K225-I229 HydrophobicContact CG-CG1 4.48Å; K225-I229 WeakPolarHBondContact O-CG1 3.33Å; K225-I229 PolarHBondContact O-N 3.12Å; L226-I229 PolarHBondContact O-N 3.01Å; I229-A232 PolarHBondContact O-N 2.96Å; I229-H233 WeakPolarHBondContact O-CB 3.37Å; I229-H233 PolarHBondContact O-N 2.9Å; I229-L288 HydrophobicContact CG1-CD1 3.86Å; I229-L288 HydrophobicContact CG1-CD2 3.95Å
230E89.5Confident92.3Very high25 Ų2535.2 Ų35.212%0.11718%0.182CC..Hα-helixtrans-60.7-46.8175.8-71.6-160.915100111.9K190 K196 Y200 L226 I227 C228 A232 H233 E234K190-E230 IonicContact NZ-OE2 2.67Å; K190-E230 PolarHBondContact NZ-OE2 3.39Å; K190-E230 VanDerWaalsContact NZ-OE2 3.09Å; K196-E230 WeakPolarHBondContact CD-OE1 3.46Å; K196-E230 VanDerWaalsContact CE-OE1 3.31Å; K196-E230 WeakPolarHBondContact CE-OE1 3.42Å; K196-E230 IonicContact NZ-OE1 3.98Å; K196-E230 PolarHBondContact NZ-OE1 2.74Å; K196-E230 IonicContact NZ-OE2 2.7Å; Y200-E230 PolarHBondContact OH-OE1 2.9Å; L226-E230 WeakPolarHBondContact O-CG 3.2Å; L226-E230 PolarHBondContact O-N 3.28Å; I227-E230 PolarHBondContact O-N 2.96Å; C228-E230 VanDerWaalsContact C-N 3.34Å; C228-E230 PolarHBondContact O-N 3.49Å; E230-A232 VanDerWaalsContact C-N 3.34Å; E230-A232 PolarHBondContact O-N 3.47Å; E230-H233 PolarHBondContact O-N 3.34Å; E230-E234 WeakPolarHBondContact O-CB 3.41Å; E230-E234 PolarHBondContact O-N 3.49Å
231A91.6Very high92.5Very high13 Ų1341.9 Ų41.911%0.10721%0.206CC..Hα-helixtrans-62.3-41.1178.600000111.8I227 C228 E234 A235 F273 C276I227-A231 WeakPolarHBondContact O-CB 3.45Å; I227-A231 PolarHBondContact O-N 2.93Å; C228-A231 PolarHBondContact O-N 3.43Å; A231-E234 PolarHBondContact O-N 3.36Å; A231-A235 VanDerWaalsContact O-CB 3.31Å; A231-A235 WeakPolarHBondContact O-CB 3.47Å; A231-A235 PolarHBondContact O-N 2.93Å; A231-F273 HydrophobicContact CB-CD2 3.99Å; A231-F273 HydrophobicContact CB-CE2 4.34Å; A231-C276 HydrophobicContact CB-CB 3.82Å
232A93.4Very high92.8Very high13 Ų1339.4 Ų39.411%0.10720%0.195CC..Hα-helixtrans-64.5-43.8176.200000111.6C228 I229 E230 A235 K236 F273 L292C228-A232 WeakPolarHBondContact O-CB 3.39Å; C228-A232 PolarHBondContact O-N 2.89Å; I229-A232 PolarHBondContact O-N 2.96Å; E230-A232 VanDerWaalsContact C-N 3.34Å; E230-A232 PolarHBondContact O-N 3.47Å; A232-A235 PolarHBondContact O-N 3.24Å; A232-K236 WeakPolarHBondContact O-CB 3.33Å; A232-K236 PolarHBondContact O-N 2.89Å; A232-F273 HydrophobicContact CB-CD2 3.99Å; A232-F273 HydrophobicContact CB-CE2 3.85Å; A232-L292 WeakPolarHBondContact O-CD1 3.35Å
233H92.2Very high92.9Very high127 Ų12739.6 Ų39.659%0.58820%0.196SC*.Hα-helixtrans-63.1-44.2176.5177.5-86.6000111.7I229 E230 K236 V237I229-H233 WeakPolarHBondContact O-CB 3.37Å; I229-H233 PolarHBondContact O-N 2.9Å; E230-H233 PolarHBondContact O-N 3.34Å; H233-K236 PolarHBondContact O-N 2.97Å; H233-V237 WeakPolarHBondContact O-CG2 3.31Å; H233-V237 PolarHBondContact O-N 2.94Å
234E93.8Very high92.9Very high110 Ų11043.9 Ų43.951%0.51422%0.219SC..Hα-helixtrans-60.5-45.8176-173.6178.6167.500111.8E230 A231 K236 V237 N238 I272E230-E234 WeakPolarHBondContact O-CB 3.41Å; E230-E234 PolarHBondContact O-N 3.49Å; A231-E234 PolarHBondContact O-N 3.36Å; E234-K236 PolarHBondContact O-N 3.41Å; E234-V237 PolarHBondContact O-N 3.44Å; E234-N238 WeakPolarHBondContact O-CB 3.48Å; E234-N238 PolarHBondContact O-N 3.28Å; E234-I272 HydrophobicContact CB-CG2 4.49Å; E234-I272 HydrophobicContact CG-CG2 4.18Å
235A96.6Very high93Very high0 Ų052.8 Ų52.80%025%0.251CS..Hα-helixtrans-58.6-47175.500000111.9A231 A232 N238 Y239 A269 I272 F273 L292A231-A235 VanDerWaalsContact O-CB 3.31Å; A231-A235 WeakPolarHBondContact O-CB 3.47Å; A231-A235 PolarHBondContact O-N 2.93Å; A232-A235 PolarHBondContact O-N 3.24Å; A235-N238 WeakPolarHBondContact O-CB 3.41Å; A235-N238 PolarHBondContact O-N 2.91Å; A235-Y239 PolarHBondContact O-N 3.41Å; A235-A269 HydrophobicContact CB-CB 4.13Å; A235-A269 VanDerWaalsContact CB-O 3.24Å; A235-A269 WeakPolarHBondContact CB-O 3.49Å; A235-A269 WeakPolarHBondContact O-CB 3.43Å; A235-I272 HydrophobicContact CB-CB 4.28Å; A235-I272 HydrophobicContact CB-CG2 4.17Å; A235-F273 HydrophobicContact CB-CB 4.27Å; A235-L292 HydrophobicContact CB-CD1 4.12Å; A235-L292 HydrophobicContact CB-CD2 3.73Å
236K95.8Very high93Very high75 Ų7551.3 Ų51.333%0.32625%0.25SC..Hα-helixtrans-61.5-47.3177.8-174.6176.3-174.6170.40112A232 H233 E234 N238 Y239 S240 L292 D295A232-K236 WeakPolarHBondContact O-CB 3.33Å; A232-K236 PolarHBondContact O-N 2.89Å; H233-K236 PolarHBondContact O-N 2.97Å; E234-K236 PolarHBondContact O-N 3.41Å; K236-N238 VanDerWaalsContact C-N 3.28Å; K236-N238 PolarHBondContact O-N 3.05Å; K236-Y239 WeakPolarHBondContact O-CB 3.24Å; K236-Y239 PolarHBondContact O-N 3.2Å; K236-S240 PolarHBondContact O-N 3.32Å; K236-S240 PolarHBondContact O-OG 2.94Å; K236-L292 HydrophobicContact CB-CD1 3.97Å; K236-D295 HydrophobicContact CD-CB 4.17Å; K236-D295 IonicContact NZ-OD1 2.78Å; K236-D295 IonicContact NZ-OD2 3.85Å; K236-D295 PolarHBondContact NZ-OD2 3.48Å
237V95.5Very high92.7Very high47 Ų4752.5 Ų52.529%0.28526%0.257SS..Hα-helixtrans-61.6-38.6177.7169.50000111.3H233 E234 R241H233-V237 WeakPolarHBondContact O-CG2 3.31Å; H233-V237 PolarHBondContact O-N 2.94Å; E234-V237 PolarHBondContact O-N 3.44Å; V237-R241 HydrophobicContact CG1-CG 4.45Å; V237-R241 WeakPolarHBondContact O-CB 3.42Å; V237-R241 VanDerWaalsContact O-CG 3.28Å; V237-R241 WeakPolarHBondContact O-CG 3.24Å; V237-R241 PolarHBondContact O-N 3.49Å
238N96.6Very high92.1Very high63 Ų6360.9 Ų60.934%0.33729%0.289SS..Hα-helixtrans-63.7-46.8175.9-167.3-81.7000111.5E234 A235 K236 R241 G242 I272E234-N238 WeakPolarHBondContact O-CB 3.48Å; E234-N238 PolarHBondContact O-N 3.28Å; A235-N238 WeakPolarHBondContact O-CB 3.41Å; A235-N238 PolarHBondContact O-N 2.91Å; K236-N238 VanDerWaalsContact C-N 3.28Å; K236-N238 PolarHBondContact O-N 3.05Å; N238-R241 PolarHBondContact O-N 2.93Å; N238-G242 PolarHBondContact O-N 3.32Å; N238-I272 HydrophobicContact CB-CD1 3.55Å
239Y97.3Very high90.9Very high6 Ų664.2 Ų64.22%0.02432%0.324CS..Hα-helixtrans-56.2-54.3174.6171.6-100.3000111.9A235 K236 R241 G242 M243 H262 H265 I296 F300A235-Y239 PolarHBondContact O-N 3.41Å; K236-Y239 WeakPolarHBondContact O-CB 3.24Å; K236-Y239 PolarHBondContact O-N 3.2Å; Y239-R241 VanDerWaalsContact C-N 3.35Å; Y239-R241 PolarHBondContact O-N 3.32Å; Y239-G242 WeakPolarHBondContact O-CA 3.48Å; Y239-G242 PolarHBondContact O-N 2.92Å; Y239-M243 HydrophobicContact CD1-CG 4.35Å; Y239-M243 HydrophobicContact CD2-CG 4.17Å; Y239-M243 HydrophobicContact CE1-CG 3.84Å; Y239-M243 HydrophobicContact CE2-CG 3.63Å; Y239-M243 HydrophobicContact CE2-SD 4.06Å; Y239-M243 HydrophobicContact CG-CG 4.49Å; Y239-M243 VanDerWaalsContact CZ-CG 3.44Å; Y239-M243 PolarHBondContact O-N 3.14Å; Y239-H262 AromaticContact CE2-ND1 3.69Å; Y239-H262 AromaticContact CZ-ND1 3.65Å; Y239-H262 PolarHBondContact OH-ND1 3.31Å; Y239-H265 HydrophobicContact CD2-CB 3.76Å; Y239-H265 HydrophobicContact CE2-CB 4.19Å; Y239-I296 HydrophobicContact CD1-CB 4.43Å; Y239-I296 HydrophobicContact CD1-CG1 3.98Å; Y239-I296 HydrophobicContact CD1-CG2 4.33Å; Y239-I296 HydrophobicContact CD2-CG1 4.39Å; Y239-I296 HydrophobicContact CD2-CG2 4.01Å; Y239-I296 HydrophobicContact CE1-CB 4.39Å; Y239-I296 HydrophobicContact CE1-CG1 4.44Å; Y239-I296 HydrophobicContact CE1-CG2 4.06Å; Y239-I296 HydrophobicContact CE2-CG2 3.73Å; Y239-I296 HydrophobicContact CG-CD1 4.45Å; Y239-I296 HydrophobicContact CG-CG1 3.96Å; Y239-I296 HydrophobicContact CG-CG2 4.31Å; Y239-I296 PolarHBondContact OH-O 3.35Å; Y239-F300 WeakPolarHBondContact OH-CB 3.45Å
240S94.9Very high89.6Confident47 Ų4765.6 Ų65.633%0.32933%0.334SS..Hα-helixtrans-57.5-47.1-179-60.90000111.4K236 G242 M243 D244K236-S240 PolarHBondContact O-N 3.32Å; K236-S240 PolarHBondContact O-OG 2.94Å; S240-G242 VanDerWaalsContact C-N 3.28Å; S240-G242 PolarHBondContact O-N 3.38Å; S240-M243 PolarHBondContact O-N 3.48Å; S240-D244 WeakPolarHBondContact O-CB 3.47Å; S240-D244 PolarHBondContact O-N 3.48Å
241R94.8Very high88.2Confident149 Ų14974.4 Ų74.456%0.56237%0.366SS*.Hα-helixtrans-62.7-34.8176.4-74.1174173.7175.9-0.8113V237 N238 Y239 R245V237-R241 HydrophobicContact CG1-CG 4.45Å; V237-R241 WeakPolarHBondContact O-CB 3.42Å; V237-R241 VanDerWaalsContact O-CG 3.28Å; V237-R241 WeakPolarHBondContact O-CG 3.24Å; V237-R241 PolarHBondContact O-N 3.49Å; N238-R241 PolarHBondContact O-N 2.93Å; Y239-R241 VanDerWaalsContact C-N 3.35Å; Y239-R241 PolarHBondContact O-N 3.32Å; R241-R245 VanDerWaalsContact O-CG 3.23Å; R241-R245 WeakPolarHBondContact O-CG 3.34Å; R241-R245 PolarHBondContact O-N 3.32Å; R241-R245 VanDerWaalsContact O-N 3.17Å
242G94.2Very high87Confident8 Ų878.1 Ų78.18%0.08238%0.383CS..Hα-helixtrans-65.2-49.2175.300000111.1N238 Y239 S240 R245 S246 H265N238-G242 PolarHBondContact O-N 3.32Å; Y239-G242 WeakPolarHBondContact O-CA 3.48Å; Y239-G242 PolarHBondContact O-N 2.92Å; S240-G242 VanDerWaalsContact C-N 3.28Å; S240-G242 PolarHBondContact O-N 3.38Å; G242-R245 PolarHBondContact O-N 3.01Å; G242-S246 PolarHBondContact O-N 3.32Å; G242-S246 PolarHBondContact O-OG 3.47Å; G242-H265 VanDerWaalsContact CA-CE1 3.47Å; G242-H265 WeakPolarHBondContact CA-CE1 3.45Å; G242-H265 PolarHBondContact O-NE2 3.44Å
243M93Very high86.2Confident4 Ų478.6 Ų78.62%0.0238%0.383CS..Hα-helixtrans-59.9-50.7176.3-72.6-59.8-66.900111.5Y239 S240 R245 S246 T247 L258 A261 H262 F300 T303Y239-M243 HydrophobicContact CD1-CG 4.35Å; Y239-M243 HydrophobicContact CD2-CG 4.17Å; Y239-M243 HydrophobicContact CE1-CG 3.84Å; Y239-M243 HydrophobicContact CE2-CG 3.63Å; Y239-M243 HydrophobicContact CE2-SD 4.06Å; Y239-M243 HydrophobicContact CG-CG 4.49Å; Y239-M243 VanDerWaalsContact CZ-CG 3.44Å; Y239-M243 PolarHBondContact O-N 3.14Å; S240-M243 PolarHBondContact O-N 3.48Å; M243-R245 VanDerWaalsContact C-N 3.28Å; M243-R245 PolarHBondContact O-N 3.21Å; M243-S246 CarbonylContact O-C 3.59Å; M243-S246 WeakPolarHBondContact O-CA 3.47Å; M243-S246 WeakPolarHBondContact O-CB 3.33Å; M243-S246 PolarHBondContact O-N 2.97Å; M243-T247 WeakPolarHBondContact O-CG2 3.38Å; M243-T247 PolarHBondContact O-N 3.02Å; M243-T247 PolarHBondContact O-OG1 3.15Å; M243-L258 HydrophobicContact CE-CD1 3.68Å; M243-A261 HydrophobicContact SD-CB 4.29Å; M243-H262 HydrophobicContact CE-CB 4.46Å; M243-H262 HydrophobicContact SD-CB 4.29Å; M243-F300 HydrophobicContact CE-CD2 4.2Å; M243-T303 HydrophobicContact CE-CG2 4.44Å
244D90.9Very high85.8Confident96 Ų9675.3 Ų75.351%0.51337%0.374SS..Hα-helixtrans-54-44.7178.1-68-20.7000111.3S240 S246 T247 Y248S240-D244 WeakPolarHBondContact O-CB 3.47Å; S240-D244 PolarHBondContact O-N 3.48Å; D244-S246 PolarHBondContact O-N 2.88Å; D244-T247 PolarHBondContact O-N 3.44Å; D244-T247 PolarHBondContact O-OG1 3.26Å; D244-T247 VanDerWaalsContact O-OG1 3.11Å; D244-Y248 WeakPolarHBondContact O-CA 3.42Å; D244-Y248 WeakPolarHBondContact O-CB 3.49Å; D244-Y248 PolarHBondContact O-N 3Å
245R90.6Very high85.5Confident194 Ų19475.3 Ų75.373%0.73237%0.374SS*.Hα-helixtrans-67.7-35.3177.8-72.5178.3-145.4-166.73.5113R241 G242 M243 T247R241-R245 VanDerWaalsContact O-CG 3.23Å; R241-R245 WeakPolarHBondContact O-CG 3.34Å; R241-R245 PolarHBondContact O-N 3.32Å; R241-R245 VanDerWaalsContact O-N 3.17Å; G242-R245 PolarHBondContact O-N 3.01Å; M243-R245 VanDerWaalsContact C-N 3.28Å; M243-R245 PolarHBondContact O-N 3.21Å; R245-T247 VanDerWaalsContact C-N 3.28Å
246S89.3Confident85.1Confident42 Ų4282.4 Ų82.429%0.29441%0.405SS..Hα-helixtrans-72-25178-740000112.4G242 M243 D244 H265G242-S246 PolarHBondContact O-N 3.32Å; G242-S246 PolarHBondContact O-OG 3.47Å; M243-S246 CarbonylContact O-C 3.59Å; M243-S246 WeakPolarHBondContact O-CA 3.47Å; M243-S246 WeakPolarHBondContact O-CB 3.33Å; M243-S246 PolarHBondContact O-N 2.97Å; D244-S246 PolarHBondContact O-N 2.88Å; S246-H265 PolarHBondContact OG-NE2 3.33Å
247T84.6Confident84.8Confident26 Ų2685 Ų8516%0.1642%0.416CS..Hα-helixtrans-99.2-19.8178.458.80000112.7M243 D244 R245 G249 T250 M253 L258 T303 F307M243-T247 WeakPolarHBondContact O-CG2 3.38Å; M243-T247 PolarHBondContact O-N 3.02Å; M243-T247 PolarHBondContact O-OG1 3.15Å; D244-T247 PolarHBondContact O-N 3.44Å; D244-T247 PolarHBondContact O-OG1 3.26Å; D244-T247 VanDerWaalsContact O-OG1 3.11Å; R245-T247 VanDerWaalsContact C-N 3.28Å; T247-G249 PolarHBondContact O-N 3.33Å; T247-T250 PolarHBondContact O-N 2.88Å; T247-M253 HydrophobicContact CG2-CE 3.79Å; T247-L258 HydrophobicContact CG2-CD1 4.15Å; T247-T303 HydrophobicContact CG2-CG2 4.07Å; T247-F307 HydrophobicContact CG2-CE2 3.6Å; T247-F307 HydrophobicContact CG2-CZ 3.92Å
248Y77.4Confident84.5Confident195 Ų19583 Ų8377%0.76540%0.404SS*.THydrogen-bonded Turntrans-56129-176.3-163.9-99.4000112.4D244 T250D244-Y248 WeakPolarHBondContact O-CA 3.42Å; D244-Y248 WeakPolarHBondContact O-CB 3.49Å; D244-Y248 PolarHBondContact O-N 3Å; Y248-T250 PolarHBondContact O-N 2.9Å; Y248-T250 PolarHBondContact O-OG1 3.38Å
249G67.4Low84.3Confident75 Ų7583.9 Ų83.977%0.77341%0.408SS*.THydrogen-bonded Turntrans69.6-2.5176.300000115.4T247 R251T247-G249 PolarHBondContact O-N 3.33Å; G249-R251 PolarHBondContact O-N 3.21Å
250T63Low84.2Confident62 Ų6288.5 Ų88.538%0.3843%0.43SS..  trans-96.293.3-176.8-40.60000109.1T247 Y248 M252 M253T247-T250 PolarHBondContact O-N 2.88Å; Y248-T250 PolarHBondContact O-N 2.9Å; Y248-T250 PolarHBondContact O-OG1 3.38Å; T250-M252 PolarHBondContact O-N 3.38Å; T250-M253 HydrophobicContact CG2-CB 4.37Å
251R60Low84.1Confident210 Ų21086.8 Ų86.879%0.79242%0.418SS*.SBendtrans-59.7-15.5-179.7-79.2-177.4178-176.6-0.3114.5G249G249-R251 PolarHBondContact O-N 3.21Å
252M65.3Low84.1Confident92 Ų9280.9 Ų80.945%0.45340%0.397SS..  trans-155.9112.5178.5-77.5-167.7147.800110.2T250 Y311 K314T250-M252 PolarHBondContact O-N 3.38Å; M252-Y311 HydrophobicContact CB-CE2 4.46Å; M252-Y311 WeakPolarHBondContact CB-OH 3.49Å; M252-Y311 HydrophobicContact CE-CD1 3.77Å; M252-Y311 HydrophobicContact CE-CD2 4.43Å; M252-Y311 HydrophobicContact CE-CE1 3.57Å; M252-Y311 HydrophobicContact CE-CE2 4.27Å; M252-Y311 HydrophobicContact CE-CG 4.21Å; M252-Y311 HydrophobicContact CG-CE2 4.16Å; M252-Y311 HydrophobicContact SD-CE1 4.15Å; M252-K314 HydrophobicContact CE-CD 4.18Å
253M76.1Confident84.2Confident22 Ų2284.7 Ų84.711%0.10842%0.415CS..  trans-115.3141169.9-178.616752.600109.1T247 T250 K257 L258 F307T247-M253 HydrophobicContact CG2-CE 3.79Å; T250-M253 HydrophobicContact CG2-CB 4.37Å; M253-K257 HydrophobicContact CG-CB 3.51Å; M253-K257 HydrophobicContact CG-CD 4.38Å; M253-K257 HydrophobicContact SD-CB 3.71Å; M253-L258 HydrophobicContact CE-CB 3.69Å; M253-L258 HydrophobicContact CE-CD1 3.37Å; M253-L258 HydrophobicContact CE-CG 4.04Å; M253-L258 HydrophobicContact SD-CB 4.48Å; M253-F307 HydrophobicContact CB-CE1 4.26Å; M253-F307 HydrophobicContact CE-CZ 4.46Å
254S84.8Confident84.4Confident58 Ų5891 Ų9141%0.40644%0.442SS..  trans-70.9149.5175.863.50000111.3K256 K257 L258S254-K256 PolarHBondContact O-N 3.08Å; S254-K256 VanDerWaalsContact O-N 3.14Å; S254-K257 PolarHBondContact O-N 3.38Å; S254-K257 WeakPolarHBondContact OG-CG 2.96Å; S254-K257 PolarHBondContact OG-N 3.49Å; S254-L258 PolarHBondContact O-N 3.27Å
255E86.9Confident84.7Confident111 Ų11187.5 Ų87.552%0.51942%0.423SS..Hα-helixtrans-51.5-39.5176.8-64.8-173.5161.400111.9K257 L258 L259 F304 K308E255-K257 PolarHBondContact O-N 3.24Å; E255-L258 PolarHBondContact O-N 3.03Å; E255-L259 WeakPolarHBondContact O-CB 3.18Å; E255-L259 PolarHBondContact O-N 3.16Å; E255-F304 HydrophobicContact CB-CE2 4.27Å; E255-F304 HydrophobicContact CG-CE2 3.87Å; E255-F304 HydrophobicContact CG-CZ 4.23Å; E255-F304 WeakPolarHBondContact OE1-CZ 3.27Å; E255-K308 WeakPolarHBondContact OE1-CE 3Å; E255-K308 IonicContact OE1-NZ 2.99Å; E255-K308 PolarHBondContact OE1-NZ 3.43Å
256K89.3Confident85Confident148 Ų14878.7 Ų78.764%0.64339%0.392SS*.Hα-helixtrans-59.5-47.7176.4-175.7179.2176.7-177.90112.6S254 L258 L259 E260S254-K256 PolarHBondContact O-N 3.08Å; S254-K256 VanDerWaalsContact O-N 3.14Å; K256-L258 VanDerWaalsContact C-N 3.33Å; K256-L259 PolarHBondContact O-N 3.06Å; K256-E260 WeakPolarHBondContact CE-OE1 3.42Å; K256-E260 WeakPolarHBondContact O-CG 3.46Å; K256-E260 PolarHBondContact O-N 3.35Å
257K88.8Confident85.4Confident130 Ų13081 Ų8157%0.56540%0.4SS*.Hα-helixtrans-68-36.1180-76.1-176.6177.6-1760111.7M253 S254 E255 E260 A261M253-K257 HydrophobicContact CG-CB 3.51Å; M253-K257 HydrophobicContact CG-CD 4.38Å; M253-K257 HydrophobicContact SD-CB 3.71Å; S254-K257 PolarHBondContact O-N 3.38Å; S254-K257 WeakPolarHBondContact OG-CG 2.96Å; S254-K257 PolarHBondContact OG-N 3.49Å; E255-K257 PolarHBondContact O-N 3.24Å; K257-E260 PolarHBondContact O-N 3.1Å; K257-A261 WeakPolarHBondContact O-CB 3.36Å; K257-A261 PolarHBondContact O-N 3.47Å
258L89.8Confident86Confident4 Ų482.4 Ų82.42%0.02141%0.409CS..Hα-helixtrans-63.4-43.4175.1-174.754.8000111.1M243 T247 M253 S254 E255 K256 A261 H262 F300 T303 F304 F307M243-L258 HydrophobicContact CE-CD1 3.68Å; T247-L258 HydrophobicContact CG2-CD1 4.15Å; M253-L258 HydrophobicContact CE-CB 3.69Å; M253-L258 HydrophobicContact CE-CD1 3.37Å; M253-L258 HydrophobicContact CE-CG 4.04Å; M253-L258 HydrophobicContact SD-CB 4.48Å; S254-L258 PolarHBondContact O-N 3.27Å; E255-L258 PolarHBondContact O-N 3.03Å; K256-L258 VanDerWaalsContact C-N 3.33Å; L258-A261 PolarHBondContact O-N 2.84Å; L258-H262 PolarHBondContact O-N 2.76Å; L258-F300 HydrophobicContact CG-CE2 3.91Å; L258-T303 HydrophobicContact CD1-CG2 4.1Å; L258-F304 HydrophobicContact CD2-CB 4.23Å; L258-F304 HydrophobicContact CD2-CD2 3.8Å; L258-F304 HydrophobicContact CD2-CG 4.45Å; L258-F307 HydrophobicContact CD2-CD2 4.15Å
259L92.7Very high86.9Confident83 Ų8373.1 Ų73.144%0.43537%0.372SS..Hα-helixtrans-65.8-42.1176.1-173.965.9000112.3E255 K256 A261 H262 I263 F300E255-L259 WeakPolarHBondContact O-CB 3.18Å; E255-L259 PolarHBondContact O-N 3.16Å; K256-L259 PolarHBondContact O-N 3.06Å; L259-A261 VanDerWaalsContact C-N 3.32Å; L259-A261 PolarHBondContact O-N 3.5Å; L259-H262 WeakPolarHBondContact O-CB 3.31Å; L259-H262 PolarHBondContact O-N 3.44Å; L259-I263 HydrophobicContact CD1-CD1 4.48Å; L259-I263 HydrophobicContact CG-CD1 4.07Å; L259-I263 WeakPolarHBondContact O-CG1 3.48Å; L259-I263 PolarHBondContact O-N 3.16Å; L259-F300 HydrophobicContact CD1-CZ 4.03Å
260E94.1Very high88.3Confident103 Ų10372.1 Ų72.148%0.48135%0.349SS..Hα-helixtrans-60-41.9174.9-75.6171-178.800111.7K256 K257 K264K256-E260 WeakPolarHBondContact CE-OE1 3.42Å; K256-E260 WeakPolarHBondContact O-CG 3.46Å; K256-E260 PolarHBondContact O-N 3.35Å; K257-E260 PolarHBondContact O-N 3.1Å; E260-K264 WeakPolarHBondContact O-CB 3.45Å; E260-K264 PolarHBondContact O-N 2.95Å
261A93.5Very high89.9Confident10 Ų1073.7 Ų73.78%0.08336%0.355CS..Hα-helixtrans-64-45.2175.100000111.8M243 K257 L258 L259 I263 K264 H265M243-A261 HydrophobicContact SD-CB 4.29Å; K257-A261 WeakPolarHBondContact O-CB 3.36Å; K257-A261 PolarHBondContact O-N 3.47Å; L258-A261 PolarHBondContact O-N 2.84Å; L259-A261 VanDerWaalsContact C-N 3.32Å; L259-A261 PolarHBondContact O-N 3.5Å; A261-I263 PolarHBondContact O-N 3.33Å; A261-K264 PolarHBondContact O-N 2.78Å; A261-H265 PolarHBondContact O-CD2 3.36Å; A261-H265 PolarHBondContact O-N 3.19Å
262H95.3Very high91.5Very high25 Ų2565.2 Ų65.212%0.11633%0.325CS..Hα-helixtrans-57.2-50176168.567.9000112.2Y239 M243 L258 L259 K264 H265 G266 F300Y239-H262 AromaticContact CE2-ND1 3.69Å; Y239-H262 AromaticContact CZ-ND1 3.65Å; Y239-H262 PolarHBondContact OH-ND1 3.31Å; M243-H262 HydrophobicContact CE-CB 4.46Å; M243-H262 HydrophobicContact SD-CB 4.29Å; L258-H262 PolarHBondContact O-N 2.76Å; L259-H262 WeakPolarHBondContact O-CB 3.31Å; L259-H262 PolarHBondContact O-N 3.44Å; H262-K264 PolarHBondContact O-N 2.9Å; H262-H265 PolarHBondContact O-N 3.33Å; H262-G266 WeakPolarHBondContact O-CA 3.46Å; H262-G266 PolarHBondContact O-N 2.93Å; H262-F300 HydrophobicContact CB-CD2 3.41Å; H262-F300 VanDerWaalsContact CB-CD2 3.41Å; H262-F300 HydrophobicContact CB-CE2 3.48Å; H262-F300 VanDerWaalsContact CB-CE2 3.48Å; H262-F300 HydrophobicContact CB-CG 4.25Å; H262-F300 HydrophobicContact CB-CZ 4.42Å; H262-F300 AromaticContact CE1-CG 3.97Å; H262-F300 AromaticContact CG-CD2 3.45Å; H262-F300 VanDerWaalsContact CG-CD2 3.45Å; H262-F300 AromaticContact CG-CE2 3.83Å; H262-F300 AromaticContact CG-CG 3.79Å; H262-F300 AromaticContact ND1-CD2 3.63Å; H262-F300 AromaticContact ND1-CG 3.63Å
263I96.3Very high92.9Very high88 Ų8860.9 Ų60.945%0.45130%0.304SS..Hα-helixtrans-60.6-46.9179-67.6166.7000110.4L259 A261 G266 I267L259-I263 HydrophobicContact CD1-CD1 4.48Å; L259-I263 HydrophobicContact CG-CD1 4.07Å; L259-I263 WeakPolarHBondContact O-CG1 3.48Å; L259-I263 PolarHBondContact O-N 3.16Å; A261-I263 PolarHBondContact O-N 3.33Å; I263-G266 PolarHBondContact O-N 2.92Å; I263-I267 HydrophobicContact CG2-CD1 3.74Å; I263-I267 HydrophobicContact CG2-CG1 4.45Å; I263-I267 WeakPolarHBondContact O-CB 3.47Å; I263-I267 VanDerWaalsContact O-CG1 3.27Å; I263-I267 WeakPolarHBondContact O-CG1 3.37Å; I263-I267 PolarHBondContact O-N 2.84Å
264K96.9Very high93.6Very high136 Ų13664 Ų6459%0.59132%0.321SS*.Hα-helixtrans-59.3-51.2-179.3177.5-177175.5-179.20112.1E260 A261 H262 T268E260-K264 WeakPolarHBondContact O-CB 3.45Å; E260-K264 PolarHBondContact O-N 2.95Å; A261-K264 PolarHBondContact O-N 2.78Å; H262-K264 PolarHBondContact O-N 2.9Å; K264-T268 PolarHBondContact O-N 3.48Å; K264-T268 VanDerWaalsContact O-N 3.16Å; K264-T268 PolarHBondContact O-OG1 3.41Å
265H97.3Very high93.8Very high24 Ų2469.4 Ų69.411%0.11134%0.337CS..Hα-helixtrans-75.1-31.5-177.2-63.1-53.3000111.6Y239 G242 S246 A261 H262 T268 A269Y239-H265 HydrophobicContact CD2-CB 3.76Å; Y239-H265 HydrophobicContact CE2-CB 4.19Å; G242-H265 VanDerWaalsContact CA-CE1 3.47Å; G242-H265 WeakPolarHBondContact CA-CE1 3.45Å; G242-H265 PolarHBondContact O-NE2 3.44Å; S246-H265 PolarHBondContact OG-NE2 3.33Å; A261-H265 PolarHBondContact O-CD2 3.36Å; A261-H265 PolarHBondContact O-N 3.19Å; H262-H265 PolarHBondContact O-N 3.33Å; H265-T268 PolarHBondContact O-N 3.31Å; H265-A269 WeakPolarHBondContact O-CB 3.42Å; H265-A269 PolarHBondContact O-N 2.92Å
266G97.1Very high93.8Very high9 Ų964.5 Ų64.59%0.09332%0.315CS..Hα-helixtrans-61.6-50.1172.700000111.8H262 I263 T268 A269 L270H262-G266 WeakPolarHBondContact O-CA 3.46Å; H262-G266 PolarHBondContact O-N 2.93Å; I263-G266 PolarHBondContact O-N 2.92Å; G266-T268 VanDerWaalsContact C-N 3.27Å; G266-T268 PolarHBondContact O-N 3.31Å; G266-A269 PolarHBondContact O-N 3.29Å; G266-L270 WeakPolarHBondContact O-CG 3.34Å; G266-L270 PolarHBondContact O-N 3.44Å
267I96.9Very high93.5Very high89 Ų8958.7 Ų58.746%0.45629%0.293SS..Hα-helixtrans-57.5-43174.1-70167.3000110.8I263 A269 L270 N271I263-I267 HydrophobicContact CG2-CD1 3.74Å; I263-I267 HydrophobicContact CG2-CG1 4.45Å; I263-I267 WeakPolarHBondContact O-CB 3.47Å; I263-I267 VanDerWaalsContact O-CG1 3.27Å; I263-I267 WeakPolarHBondContact O-CG1 3.37Å; I263-I267 PolarHBondContact O-N 2.84Å; I267-A269 PolarHBondContact O-N 3.11Å; I267-L270 PolarHBondContact O-N 2.91Å; I267-N271 WeakPolarHBondContact O-CB 3.33Å; I267-N271 PolarHBondContact O-N 3.22Å; I267-N271 PolarHBondContact O-ND2 3.43Å
268T96.9Very high93.2Very high56 Ų5661.6 Ų61.634%0.34430%0.3SS..Hα-helixtrans-61.8-44.5178.7-56.10000111.5K264 H265 G266 N271 I272K264-T268 PolarHBondContact O-N 3.48Å; K264-T268 VanDerWaalsContact O-N 3.16Å; K264-T268 PolarHBondContact O-OG1 3.41Å; H265-T268 PolarHBondContact O-N 3.31Å; G266-T268 VanDerWaalsContact C-N 3.27Å; G266-T268 PolarHBondContact O-N 3.31Å; T268-N271 PolarHBondContact O-N 2.94Å; T268-I272 HydrophobicContact CG2-CD1 4.41Å; T268-I272 WeakPolarHBondContact O-CG1 3.42Å; T268-I272 PolarHBondContact O-N 2.75Å
269A96.9Very high92.5Very high0 Ų062 Ų620%030%0.302CS..Hα-helixtrans-63.7-43.4176.800000112.4A235 H265 G266 I267 N271 I272 F273 I296A235-A269 HydrophobicContact CB-CB 4.13Å; A235-A269 VanDerWaalsContact CB-O 3.24Å; A235-A269 WeakPolarHBondContact CB-O 3.49Å; A235-A269 WeakPolarHBondContact O-CB 3.43Å; H265-A269 WeakPolarHBondContact O-CB 3.42Å; H265-A269 PolarHBondContact O-N 2.92Å; G266-A269 PolarHBondContact O-N 3.29Å; I267-A269 PolarHBondContact O-N 3.11Å; A269-N271 VanDerWaalsContact C-N 3.32Å; A269-N271 PolarHBondContact O-N 3.31Å; A269-I272 WeakPolarHBondContact O-CB 3.34Å; A269-I272 PolarHBondContact O-N 3.41Å; A269-I272 VanDerWaalsContact O-N 3.15Å; A269-F273 PolarHBondContact O-N 3.48Å; A269-I296 HydrophobicContact CB-CD1 3.81Å
270L96.1Very high91.5Very high55 Ų5559.6 Ų59.629%0.28830%0.297SS..Hα-helixtrans-63.4-38.8175.9-64.7-179.6000111.9G266 I267 I272 F273 D274 L289 L292 Q293G266-L270 WeakPolarHBondContact O-CG 3.34Å; G266-L270 PolarHBondContact O-N 3.44Å; I267-L270 PolarHBondContact O-N 2.91Å; L270-I272 VanDerWaalsContact C-N 3.31Å; L270-I272 PolarHBondContact O-N 3.13Å; L270-F273 PolarHBondContact O-N 3.15Å; L270-D274 WeakPolarHBondContact O-CB 3.47Å; L270-D274 PolarHBondContact O-N 3.33Å; L270-L289 HydrophobicContact CD2-CD1 3.8Å; L270-L292 HydrophobicContact CD2-CD2 4.38Å; L270-Q293 HydrophobicContact CD2-CG 3.84Å
271N95.8Very high90.4Very high95 Ų9556.6 Ų56.651%0.50829%0.29SS..Hα-helixtrans-65.7-32.1174.5-71.8-21.8000112.7I267 T268 A269I267-N271 WeakPolarHBondContact O-CB 3.33Å; I267-N271 PolarHBondContact O-N 3.22Å; I267-N271 PolarHBondContact O-ND2 3.43Å; T268-N271 PolarHBondContact O-N 2.94Å; A269-N271 VanDerWaalsContact C-N 3.32Å; A269-N271 PolarHBondContact O-N 3.31Å
272I94.1Very high89.7Confident31 Ų3163.8 Ų63.816%0.15932%0.319CS..Hα-helixtrans-65.7-49.1172.1-70.1164.9000109.6E234 A235 N238 T268 A269 L270 D274 K275E234-I272 HydrophobicContact CB-CG2 4.49Å; E234-I272 HydrophobicContact CG-CG2 4.18Å; A235-I272 HydrophobicContact CB-CB 4.28Å; A235-I272 HydrophobicContact CB-CG2 4.17Å; N238-I272 HydrophobicContact CB-CD1 3.55Å; T268-I272 HydrophobicContact CG2-CD1 4.41Å; T268-I272 WeakPolarHBondContact O-CG1 3.42Å; T268-I272 PolarHBondContact O-N 2.75Å; A269-I272 WeakPolarHBondContact O-CB 3.34Å; A269-I272 PolarHBondContact O-N 3.41Å; A269-I272 VanDerWaalsContact O-N 3.15Å; L270-I272 VanDerWaalsContact C-N 3.31Å; L270-I272 PolarHBondContact O-N 3.13Å; I272-D274 VanDerWaalsContact C-N 3.29Å; I272-D274 PolarHBondContact O-N 3.2Å; I272-K275 WeakPolarHBondContact O-CB 3.47Å; I272-K275 PolarHBondContact O-N 3.44Å
273F94.4Very high89.1Confident1 Ų169 Ų690%0.00434%0.344CS..Hα-helixtrans-63.8-34.1178.7-173.9-92.5000112.5A231 A232 A235 A269 L270 K275 C276 R285 L288 L289 L292A231-F273 HydrophobicContact CB-CD2 3.99Å; A231-F273 HydrophobicContact CB-CE2 4.34Å; A232-F273 HydrophobicContact CB-CD2 3.99Å; A232-F273 HydrophobicContact CB-CE2 3.85Å; A235-F273 HydrophobicContact CB-CB 4.27Å; A269-F273 PolarHBondContact O-N 3.48Å; L270-F273 PolarHBondContact O-N 3.15Å; F273-K275 PolarHBondContact O-N 3.03Å; F273-C276 WeakPolarHBondContact O-CB 3.3Å; F273-C276 PolarHBondContact O-N 3.46Å; F273-R285 HydrophobicContact CE1-CG 3.9Å; F273-R285 HydrophobicContact CZ-CG 4.03Å; F273-L288 HydrophobicContact CE2-CB 4.48Å; F273-L288 HydrophobicContact CZ-CB 4.26Å; F273-L289 HydrophobicContact CD1-CB 4.29Å; F273-L289 HydrophobicContact CD1-CD1 3.71Å; F273-L289 HydrophobicContact CD1-CG 4.47Å; F273-L289 HydrophobicContact CE1-CB 3.7Å; F273-L289 HydrophobicContact CE1-CD1 4.02Å; F273-L289 HydrophobicContact CE1-CG 4.31Å; F273-L289 HydrophobicContact CG-CD1 4.42Å; F273-L289 HydrophobicContact CZ-CB 4.22Å; F273-L292 HydrophobicContact CB-CD2 3.76Å; F273-L292 HydrophobicContact CD2-CD2 4.02Å; F273-L292 HydrophobicContact CG-CD2 3.94Å
274D92.3Very high88.5Confident88 Ų8867.1 Ų67.147%0.47134%0.336SS..Hα-helixtrans-66-24.8-177.8-162.650.3000113.2L270 I272 C276 R285L270-D274 WeakPolarHBondContact O-CB 3.47Å; L270-D274 PolarHBondContact O-N 3.33Å; I272-D274 VanDerWaalsContact C-N 3.29Å; I272-D274 PolarHBondContact O-N 3.2Å; D274-C276 PolarHBondContact O-N 3.45Å; D274-R285 IonicContact OD1-CZ 3.91Å; D274-R285 IonicContact OD1-NH2 2.61Å; D274-R285 PolarHBondContact OD1-NH2 3.32Å
275K89.1Confident88Confident172 Ų17262 Ų6275%0.74831%0.313SS*.THydrogen-bonded Turntrans-69.4-10.6171.3-64.1176.6-176.5-178.60113.5I272 F273 P277I272-K275 WeakPolarHBondContact O-CB 3.47Å; I272-K275 PolarHBondContact O-N 3.44Å; F273-K275 PolarHBondContact O-N 3.03Å; K275-P277 WeakPolarHBondContact O-CD 3.46Å
276C86.9Confident87.7Confident7 Ų764.8 Ų64.85%0.04733%0.329CS..SBendtrans-56.7125.7175.7-1770000110.1A231 F273 D274 R278A231-C276 HydrophobicContact CB-CB 3.82Å; F273-C276 WeakPolarHBondContact O-CB 3.3Å; F273-C276 PolarHBondContact O-N 3.46Å; D274-C276 PolarHBondContact O-N 3.45Å; C276-R278 PolarHBondContact O-N 3.37Å
277P82.6Confident87.4Confident27 Ų2770 Ų7018%0.17535%0.354CS..  trans-52139.4176.1-28.535.8000112.1H75 F77 I227 K275 I279H75-P277 HydrophobicContact CB-CB 4.34Å; H75-P277 VanDerWaalsContact CD2-CG 3.44Å; H75-P277 WeakPolarHBondContact CD2-CG 3.47Å; F77-P277 HydrophobicContact CZ-CB 4.43Å; F77-P277 HydrophobicContact CZ-CG 4.08Å; I227-P277 HydrophobicContact CG2-CG 4.3Å; K275-P277 WeakPolarHBondContact O-CD 3.46Å; P277-I279 HydrophobicContact CB-CD1 3.75Å; P277-I279 HydrophobicContact CB-CG1 3.92Å; P277-I279 PolarHBondContact O-N 3.11Å
278R81.8Confident87.1Confident190 Ų19067 Ų6772%0.71734%0.338SS*.  trans-91.578.1178.8-62-178.3-175.5-172-0.2109.3C276C276-R278 PolarHBondContact O-N 3.37Å
279I75.8Confident86.9Confident14 Ų1466.1 Ų66.17%0.07233%0.331CS..  trans-114.5144.9-177.9-57.3174.7000108.2Q73 H75 F77 L220 A224 I227 P277Q73-I279 HydrophobicContact CG-CG2 4.2Å; H75-I279 HydrophobicContact CB-CD1 4.2Å; F77-I279 HydrophobicContact CE2-CD1 3.4Å; F77-I279 HydrophobicContact CZ-CD1 3.89Å; L220-I279 HydrophobicContact CD1-CG2 3.75Å; L220-I279 HydrophobicContact CG-CG2 4.3Å; A224-I279 HydrophobicContact CB-CB 4.19Å; A224-I279 HydrophobicContact CB-CG2 4.15Å; A224-I279 WeakPolarHBondContact CB-O 3.34Å; I227-I279 HydrophobicContact CD1-CD1 4.21Å; P277-I279 HydrophobicContact CB-CD1 3.75Å; P277-I279 HydrophobicContact CB-CG1 3.92Å; P277-I279 PolarHBondContact O-N 3.11Å
280G72.2Confident86.7Confident32 Ų3271.9 Ų71.933%0.3336%0.358SS..SBendtrans66.7-154.2178.600000114.1
281A71Confident86.7Confident39 Ų3975 Ų7532%0.32237%0.37SS..  trans-68.3130-175.100000113E283 V284A281-E283 WeakPolarHBondContact CB-OE2 3.28Å; A281-E283 PolarHBondContact O-N 2.84Å; A281-V284 HydrophobicContact CB-CG2 4.41Å; A281-V284 PolarHBondContact O-N 3.03Å
282K77.8Confident86.6Confident162 Ų16270.6 Ų70.670%0.70435%0.346SS*.Hα-helixtrans-65.3-29-178.8-72.2-178.8-179173.70112.4V284 R285 N286K282-V284 VanDerWaalsContact C-N 3.3Å; K282-V284 PolarHBondContact O-N 3.5Å; K282-R285 PolarHBondContact O-N 2.88Å; K282-N286 PolarHBondContact O-N 3.21Å; K282-N286 VanDerWaalsContact O-N 3.08Å
283E83.8Confident86.7Confident135 Ų13572.9 Ų72.963%0.63136%0.356SS*.Hα-helixtrans-59.4-41.7-177.6-62.869.6-150.800111A281 R285 N286 L287A281-E283 WeakPolarHBondContact CB-OE2 3.28Å; A281-E283 PolarHBondContact O-N 2.84Å; E283-R285 PolarHBondContact O-N 3.39Å; E283-N286 PolarHBondContact O-N 3.26Å; E283-L287 WeakPolarHBondContact O-CB 3.37Å; E283-L287 PolarHBondContact O-N 2.84Å
284V82.4Confident86.8Confident47 Ų4778.8 Ų78.829%0.28538%0.384SS..Hα-helixtrans-64.3-43.8179.9176.90000111.3K225 A281 K282 L288K225-V284 HydrophobicContact CB-CG1 3.88Å; K225-V284 HydrophobicContact CD-CG1 4.5Å; K225-V284 HydrophobicContact CG-CG1 3.8Å; A281-V284 HydrophobicContact CB-CG2 4.41Å; A281-V284 PolarHBondContact O-N 3.03Å; K282-V284 VanDerWaalsContact C-N 3.3Å; K282-V284 PolarHBondContact O-N 3.5Å; V284-L288 HydrophobicContact CG1-CD1 3.99Å; V284-L288 WeakPolarHBondContact O-CG 3.49Å; V284-L288 PolarHBondContact O-N 3.49Å; V284-L288 VanDerWaalsContact O-N 3.08Å
285R87.5Confident86.8Confident30 Ų3077 Ų7711%0.11338%0.375CS..Hα-helixtrans-64.6-42.4178.4-175-177.1178.8-846.2111.3F273 D274 K282 E283 L288 L289F273-R285 HydrophobicContact CE1-CG 3.9Å; F273-R285 HydrophobicContact CZ-CG 4.03Å; D274-R285 IonicContact OD1-CZ 3.91Å; D274-R285 IonicContact OD1-NH2 2.61Å; D274-R285 PolarHBondContact OD1-NH2 3.32Å; K282-R285 PolarHBondContact O-N 2.88Å; E283-R285 PolarHBondContact O-N 3.39Å; R285-L288 PolarHBondContact O-N 3.29Å; R285-L289 WeakPolarHBondContact O-CB 3.38Å; R285-L289 PolarHBondContact O-N 3.5Å
286N90.2Very high87.1Confident81 Ų8169.2 Ų69.243%0.43334%0.341SS..Hα-helixtrans-64.6-46.5179.4-69-10.4000111.3K282 E283 L288 L289 E290K282-N286 PolarHBondContact O-N 3.21Å; K282-N286 VanDerWaalsContact O-N 3.08Å; E283-N286 PolarHBondContact O-N 3.26Å; N286-L288 VanDerWaalsContact C-N 3.32Å; N286-L288 PolarHBondContact O-N 3.22Å; N286-L289 WeakPolarHBondContact O-CB 3.49Å; N286-L289 PolarHBondContact O-N 2.99Å; N286-L289 VanDerWaalsContact O-N 3.16Å; N286-E290 WeakPolarHBondContact O-CG 3.34Å; N286-E290 PolarHBondContact O-N 3.06Å
287L90.2Very high87.5Confident118 Ų11872.3 Ų72.362%0.61836%0.357SS*.Hα-helixtrans-58.4-43.2176.7-173.778.7000112E283 K291E283-L287 WeakPolarHBondContact O-CB 3.37Å; E283-L287 PolarHBondContact O-N 2.84Å; L287-K291 WeakPolarHBondContact O-CB 3.42Å; L287-K291 PolarHBondContact O-N 3Å
288L90.4Very high87.9Confident26 Ų2674.2 Ų74.214%0.13637%0.368CS..Hα-helixtrans-71.1-31.6178.7-75.2167.7000112.8C228 I229 F273 V284 R285 N286 L292C228-L288 HydrophobicContact CB-CD1 3.32Å; I229-L288 HydrophobicContact CG1-CD1 3.86Å; I229-L288 HydrophobicContact CG1-CD2 3.95Å; F273-L288 HydrophobicContact CE2-CB 4.48Å; F273-L288 HydrophobicContact CZ-CB 4.26Å; V284-L288 HydrophobicContact CG1-CD1 3.99Å; V284-L288 WeakPolarHBondContact O-CG 3.49Å; V284-L288 PolarHBondContact O-N 3.49Å; V284-L288 VanDerWaalsContact O-N 3.08Å; R285-L288 PolarHBondContact O-N 3.29Å; N286-L288 VanDerWaalsContact C-N 3.32Å; N286-L288 PolarHBondContact O-N 3.22Å; L288-L292 WeakPolarHBondContact O-CB 3.45Å; L288-L292 PolarHBondContact O-N 3.26Å
289L93Very high88.3Confident38 Ų3866 Ų6620%0.19934%0.343CS..Hα-helixtrans-66.7-46.3172.817858.1000111.5L270 F273 R285 N286 K291 L292 Q293L270-L289 HydrophobicContact CD2-CD1 3.8Å; F273-L289 HydrophobicContact CD1-CB 4.29Å; F273-L289 HydrophobicContact CD1-CD1 3.71Å; F273-L289 HydrophobicContact CD1-CG 4.47Å; F273-L289 HydrophobicContact CE1-CB 3.7Å; F273-L289 HydrophobicContact CE1-CD1 4.02Å; F273-L289 HydrophobicContact CE1-CG 4.31Å; F273-L289 HydrophobicContact CG-CD1 4.42Å; F273-L289 HydrophobicContact CZ-CB 4.22Å; R285-L289 WeakPolarHBondContact O-CB 3.38Å; R285-L289 PolarHBondContact O-N 3.5Å; N286-L289 WeakPolarHBondContact O-CB 3.49Å; N286-L289 PolarHBondContact O-N 2.99Å; N286-L289 VanDerWaalsContact O-N 3.16Å; L289-K291 VanDerWaalsContact C-N 3.34Å; L289-K291 PolarHBondContact O-N 3.28Å; L289-L292 WeakPolarHBondContact O-CB 3.49Å; L289-L292 PolarHBondContact O-N 3Å; L289-Q293 WeakPolarHBondContact O-CG 3.33Å; L289-Q293 PolarHBondContact O-N 2.83Å
290E94.4Very high89Confident121 Ų12166 Ų6657%0.56534%0.342SS*.Hα-helixtrans-59.2-47.2176.1-73.5173.3-17500110.6N286 L292 Q293 E294N286-E290 WeakPolarHBondContact O-CG 3.34Å; N286-E290 PolarHBondContact O-N 3.06Å; E290-L292 VanDerWaalsContact C-N 3.33Å; E290-L292 PolarHBondContact O-N 3.07Å; E290-Q293 WeakPolarHBondContact O-CB 3.47Å; E290-Q293 PolarHBondContact O-N 3.46Å; E290-E294 PolarHBondContact O-N 2.99Å
291K94.2Very high89.9Confident120 Ų12070.6 Ų70.652%0.52235%0.349SS..Hα-helixtrans-61-39.7175.8-174.1171.5-175.3169.80112.8L287 L289 E294 D295L287-K291 WeakPolarHBondContact O-CB 3.42Å; L287-K291 PolarHBondContact O-N 3Å; L289-K291 VanDerWaalsContact C-N 3.34Å; L289-K291 PolarHBondContact O-N 3.28Å; K291-E294 PolarHBondContact O-N 3.03Å; K291-D295 WeakPolarHBondContact O-CB 3.34Å; K291-D295 PolarHBondContact O-N 2.93Å
292L95.4Very high90.6Very high3 Ų374.6 Ų74.62%0.01636%0.362CS..Hα-helixtrans-62.4-43.3175.117264.2000111.4A232 A235 K236 L270 F273 L288 L289 E290 D295 I296A232-L292 WeakPolarHBondContact O-CD1 3.35Å; A235-L292 HydrophobicContact CB-CD1 4.12Å; A235-L292 HydrophobicContact CB-CD2 3.73Å; K236-L292 HydrophobicContact CB-CD1 3.97Å; L270-L292 HydrophobicContact CD2-CD2 4.38Å; F273-L292 HydrophobicContact CB-CD2 3.76Å; F273-L292 HydrophobicContact CD2-CD2 4.02Å; F273-L292 HydrophobicContact CG-CD2 3.94Å; L288-L292 WeakPolarHBondContact O-CB 3.45Å; L288-L292 PolarHBondContact O-N 3.26Å; L289-L292 WeakPolarHBondContact O-CB 3.49Å; L289-L292 PolarHBondContact O-N 3Å; E290-L292 VanDerWaalsContact C-N 3.33Å; E290-L292 PolarHBondContact O-N 3.07Å; L292-D295 PolarHBondContact O-N 3.35Å; L292-I296 HydrophobicContact CD1-CD1 3.93Å; L292-I296 HydrophobicContact CD1-CG1 4.23Å; L292-I296 HydrophobicContact CG-CD1 4Å; L292-I296 WeakPolarHBondContact O-CB 3.48Å; L292-I296 VanDerWaalsContact O-CG1 3.31Å; L292-I296 WeakPolarHBondContact O-CG1 3.39Å; L292-I296 PolarHBondContact O-N 3.38Å
293Q95.9Very high91Very high80 Ų8068.4 Ų68.437%0.37434%0.337SS..Hα-helixtrans-63.5-43.2177.4-72.5172.8-25.500111.4L270 L289 E290 I296 N297L270-Q293 HydrophobicContact CD2-CG 3.84Å; L289-Q293 WeakPolarHBondContact O-CG 3.33Å; L289-Q293 PolarHBondContact O-N 2.83Å; E290-Q293 WeakPolarHBondContact O-CB 3.47Å; E290-Q293 PolarHBondContact O-N 3.46Å; Q293-I296 PolarHBondContact O-N 2.97Å; Q293-N297 WeakPolarHBondContact O-CB 3.42Å; Q293-N297 PolarHBondContact O-N 2.87Å; Q293-N297 PolarHBondContact O-ND2 3.14Å
294E95.9Very high91.1Very high124 Ų12463.1 Ų63.158%0.57931%0.312SS*.Hα-helixtrans-58.9-50.9173.7-173179.3-170.500111.3E290 K291 I296 N297 V298E290-E294 PolarHBondContact O-N 2.99Å; K291-E294 PolarHBondContact O-N 3.03Å; E294-I296 VanDerWaalsContact C-N 3.3Å; E294-I296 PolarHBondContact O-N 3.34Å; E294-N297 WeakPolarHBondContact O-CB 3.36Å; E294-N297 PolarHBondContact O-N 3.08Å; E294-N297 VanDerWaalsContact O-N 3.08Å; E294-V298 HydrophobicContact CG-CG2 4.42Å; E294-V298 WeakPolarHBondContact O-CG2 3.47Å; E294-V298 PolarHBondContact O-N 3.02Å
295D93.5Very high91.2Very high52 Ų5266.8 Ų66.828%0.27832%0.324SS..Hα-helixtrans-57.7-40.4178.4-86.3-1.7000112.8K236 K291 L292 G299K236-D295 HydrophobicContact CD-CB 4.17Å; K236-D295 IonicContact NZ-OD1 2.78Å; K236-D295 IonicContact NZ-OD2 3.85Å; K236-D295 PolarHBondContact NZ-OD2 3.48Å; K291-D295 WeakPolarHBondContact O-CB 3.34Å; K291-D295 PolarHBondContact O-N 2.93Å; L292-D295 PolarHBondContact O-N 3.35Å; D295-G299 PolarHBondContact O-N 3.31Å
296I95.1Very high90.9Very high7 Ų770.7 Ų70.74%0.03635%0.347CS..Hα-helixtrans-64.6-43.4176.1-77.5171.5000110.8Y239 A269 L292 Q293 E294 F300Y239-I296 HydrophobicContact CD1-CB 4.43Å; Y239-I296 HydrophobicContact CD1-CG1 3.98Å; Y239-I296 HydrophobicContact CD1-CG2 4.33Å; Y239-I296 HydrophobicContact CD2-CG1 4.39Å; Y239-I296 HydrophobicContact CD2-CG2 4.01Å; Y239-I296 HydrophobicContact CE1-CB 4.39Å; Y239-I296 HydrophobicContact CE1-CG1 4.44Å; Y239-I296 HydrophobicContact CE1-CG2 4.06Å; Y239-I296 HydrophobicContact CE2-CG2 3.73Å; Y239-I296 HydrophobicContact CG-CD1 4.45Å; Y239-I296 HydrophobicContact CG-CG1 3.96Å; Y239-I296 HydrophobicContact CG-CG2 4.31Å; Y239-I296 PolarHBondContact OH-O 3.35Å; A269-I296 HydrophobicContact CB-CD1 3.81Å; L292-I296 HydrophobicContact CD1-CD1 3.93Å; L292-I296 HydrophobicContact CD1-CG1 4.23Å; L292-I296 HydrophobicContact CG-CD1 4Å; L292-I296 WeakPolarHBondContact O-CB 3.48Å; L292-I296 VanDerWaalsContact O-CG1 3.31Å; L292-I296 WeakPolarHBondContact O-CG1 3.39Å; L292-I296 PolarHBondContact O-N 3.38Å; Q293-I296 PolarHBondContact O-N 2.97Å; E294-I296 VanDerWaalsContact C-N 3.3Å; E294-I296 PolarHBondContact O-N 3.34Å; I296-F300 PolarHBondContact O-N 3.41Å
297N93.9Very high90.3Very high73 Ų7368.1 Ų68.139%0.3933%0.332SS..Hα-helixtrans-67.8-42.4179-70.6-25.5000111.6Q293 E294 F300 W301Q293-N297 WeakPolarHBondContact O-CB 3.42Å; Q293-N297 PolarHBondContact O-N 2.87Å; Q293-N297 PolarHBondContact O-ND2 3.14Å; E294-N297 WeakPolarHBondContact O-CB 3.36Å; E294-N297 PolarHBondContact O-N 3.08Å; E294-N297 VanDerWaalsContact O-N 3.08Å; N297-F300 WeakPolarHBondContact O-CB 3.44Å; N297-F300 PolarHBondContact O-N 2.97Å; N297-W301 PolarHBondContact O-N 2.93Å
298V92.5Very high89.6Confident67 Ų6766.7 Ų66.741%0.40632%0.321SS..Hα-helixtrans-59.3-50.2175.2171.50000110.4E294 F300 W301 E302E294-V298 HydrophobicContact CG-CG2 4.42Å; E294-V298 WeakPolarHBondContact O-CG2 3.47Å; E294-V298 PolarHBondContact O-N 3.02Å; V298-F300 VanDerWaalsContact C-N 3.26Å; V298-F300 PolarHBondContact O-N 3.41Å; V298-W301 PolarHBondContact O-N 3.42Å; V298-E302 PolarHBondContact O-N 3.18Å
299G88.4Confident88.7Confident18 Ų1867.7 Ų67.719%0.18633%0.333CS..Hα-helixtrans-62.9-31.2178.300000113.6D295 T303D295-G299 PolarHBondContact O-N 3.31Å; G299-T303 PolarHBondContact O-N 3.23Å; G299-T303 PolarHBondContact O-OG1 3.44Å
300F92Very high87.3Confident12 Ų1270.6 Ų70.65%0.05335%0.346CS..Hα-helixtrans-63.2-48.9170.2175.2-109.4000112Y239 M243 L258 L259 H262 I296 N297 V298 E302 T303 F304Y239-F300 WeakPolarHBondContact OH-CB 3.45Å; M243-F300 HydrophobicContact CE-CD2 4.2Å; L258-F300 HydrophobicContact CG-CE2 3.91Å; L259-F300 HydrophobicContact CD1-CZ 4.03Å; H262-F300 HydrophobicContact CB-CD2 3.41Å; H262-F300 VanDerWaalsContact CB-CD2 3.41Å; H262-F300 HydrophobicContact CB-CE2 3.48Å; H262-F300 VanDerWaalsContact CB-CE2 3.48Å; H262-F300 HydrophobicContact CB-CG 4.25Å; H262-F300 HydrophobicContact CB-CZ 4.42Å; H262-F300 AromaticContact CE1-CG 3.97Å; H262-F300 AromaticContact CG-CD2 3.45Å; H262-F300 VanDerWaalsContact CG-CD2 3.45Å; H262-F300 AromaticContact CG-CE2 3.83Å; H262-F300 AromaticContact CG-CG 3.79Å; H262-F300 AromaticContact ND1-CD2 3.63Å; H262-F300 AromaticContact ND1-CG 3.63Å; I296-F300 PolarHBondContact O-N 3.41Å; N297-F300 WeakPolarHBondContact O-CB 3.44Å; N297-F300 PolarHBondContact O-N 2.97Å; V298-F300 VanDerWaalsContact C-N 3.26Å; V298-F300 PolarHBondContact O-N 3.41Å; F300-E302 PolarHBondContact O-N 2.9Å; F300-T303 WeakPolarHBondContact O-CB 3.13Å; F300-T303 PolarHBondContact O-N 2.94Å; F300-F304 HydrophobicContact CZ-CD2 4.24Å; F300-F304 WeakPolarHBondContact O-CB 3.45Å; F300-F304 PolarHBondContact O-N 3.03Å
301W89.4Confident85.7Confident129 Ų12969.1 Ų69.149%0.48934%0.336SS..Hα-helixtrans-64.2-40.7-178.2-73.1119.8000112.3N297 V298 T303 F304 F305N297-W301 PolarHBondContact O-N 2.93Å; V298-W301 PolarHBondContact O-N 3.42Å; W301-T303 PolarHBondContact O-N 3Å; W301-F304 HydrophobicContact CE3-CB 4.36Å; W301-F304 HydrophobicContact CE3-CD1 4.04Å; W301-F304 HydrophobicContact CE3-CG 4.31Å; W301-F304 HydrophobicContact CZ3-CD1 4.02Å; W301-F304 HydrophobicContact CZ3-CE1 4.22Å; W301-F304 HydrophobicContact CZ3-CG 4.38Å; W301-F304 PolarHBondContact O-N 3.44Å; W301-F305 HydrophobicContact CB-CD2 4.35Å; W301-F305 HydrophobicContact CB-CE2 4.12Å; W301-F305 HydrophobicContact CE3-CE2 4.4Å; W301-F305 WeakPolarHBondContact O-CD2 3.37Å; W301-F305 WeakPolarHBondContact O-CG 3.39Å; W301-F305 PolarHBondContact O-N 2.95Å
302E86.9Confident84Confident124 Ų12470 Ų7058%0.57935%0.345SS*.Hα-helixtrans-55.2-52.9172.6-70.9175.2168.600110.9V298 F300 F304 F305 D306V298-E302 PolarHBondContact O-N 3.18Å; F300-E302 PolarHBondContact O-N 2.9Å; E302-F304 VanDerWaalsContact C-N 3.3Å; E302-F304 PolarHBondContact O-N 3.4Å; E302-F305 PolarHBondContact O-N 2.93Å; E302-D306 PolarHBondContact O-N 3.17Å
303T85.3Confident81.9Confident31 Ų3180.9 Ų80.919%0.1939%0.386CS..Hα-helixtrans-57.4-44.8176.7-53.30000111.2M243 T247 L258 G299 F300 W301 F305 D306 F307M243-T303 HydrophobicContact CE-CG2 4.44Å; T247-T303 HydrophobicContact CG2-CG2 4.07Å; L258-T303 HydrophobicContact CD1-CG2 4.1Å; G299-T303 PolarHBondContact O-N 3.23Å; G299-T303 PolarHBondContact O-OG1 3.44Å; F300-T303 WeakPolarHBondContact O-CB 3.13Å; F300-T303 PolarHBondContact O-N 2.94Å; W301-T303 PolarHBondContact O-N 3Å; T303-F305 PolarHBondContact O-N 3.44Å; T303-D306 PolarHBondContact O-N 2.96Å; T303-F307 HydrophobicContact CG2-CD2 3.98Å; T303-F307 HydrophobicContact CG2-CE2 3.9Å; T303-F307 VanDerWaalsContact O-CD2 3.28Å; T303-F307 WeakPolarHBondContact O-CD2 3.44Å; T303-F307 PolarHBondContact O-N 3.01Å; T303-F307 VanDerWaalsContact O-N 3.11Å
304F86.6Confident79.9Confident24 Ų2483 Ų8311%0.10539%0.394CS..Hα-helixtrans-62.9-42.5-178.9-177.4-90.9000112.7E255 L258 F300 W301 E302 F307 K308E255-F304 HydrophobicContact CB-CE2 4.27Å; E255-F304 HydrophobicContact CG-CE2 3.87Å; E255-F304 HydrophobicContact CG-CZ 4.23Å; E255-F304 WeakPolarHBondContact OE1-CZ 3.27Å; L258-F304 HydrophobicContact CD2-CB 4.23Å; L258-F304 HydrophobicContact CD2-CD2 3.8Å; L258-F304 HydrophobicContact CD2-CG 4.45Å; F300-F304 HydrophobicContact CZ-CD2 4.24Å; F300-F304 WeakPolarHBondContact O-CB 3.45Å; F300-F304 PolarHBondContact O-N 3.03Å; W301-F304 HydrophobicContact CE3-CB 4.36Å; W301-F304 HydrophobicContact CE3-CD1 4.04Å; W301-F304 HydrophobicContact CE3-CG 4.31Å; W301-F304 HydrophobicContact CZ3-CD1 4.02Å; W301-F304 HydrophobicContact CZ3-CE1 4.22Å; W301-F304 HydrophobicContact CZ3-CG 4.38Å; W301-F304 PolarHBondContact O-N 3.44Å; E302-F304 VanDerWaalsContact C-N 3.3Å; E302-F304 PolarHBondContact O-N 3.4Å; F304-F307 PolarHBondContact O-N 2.93Å; F304-K308 HydrophobicContact CD1-CD 4.3Å; F304-K308 HydrophobicContact CE1-CD 3.59Å; F304-K308 HydrophobicContact CE1-CG 4.15Å; F304-K308 HydrophobicContact CZ-CD 4.09Å; F304-K308 PolarHBondContact O-N 3.37Å
305F84.3Confident77.4Confident124 Ų12485 Ų8554%0.54442%0.421SS..Hα-helixtrans-68.5-38.1177.6-73.3-58.5000112.2W301 E302 T303 F307 K308 A309W301-F305 HydrophobicContact CB-CD2 4.35Å; W301-F305 HydrophobicContact CB-CE2 4.12Å; W301-F305 HydrophobicContact CE3-CE2 4.4Å; W301-F305 WeakPolarHBondContact O-CD2 3.37Å; W301-F305 WeakPolarHBondContact O-CG 3.39Å; W301-F305 PolarHBondContact O-N 2.95Å; E302-F305 PolarHBondContact O-N 2.93Å; T303-F305 PolarHBondContact O-N 3.44Å; F305-F307 VanDerWaalsContact C-N 3.34Å; F305-F307 PolarHBondContact O-N 3.16Å; F305-K308 PolarHBondContact O-N 3.45Å; F305-K308 VanDerWaalsContact O-N 3.15Å; F305-A309 WeakPolarHBondContact O-CB 3.5Å; F305-A309 PolarHBondContact O-N 3.27Å
306D82Confident76.6Confident112 Ų11286.7 Ų86.760%0.59943%0.428SS*.Hα-helixtrans-59.9-44.6174.5-73.3-16.9000111.3E302 T303 K308 A309 E310E302-D306 PolarHBondContact O-N 3.17Å; T303-D306 PolarHBondContact O-N 2.96Å; D306-K308 PolarHBondContact O-N 3.08Å; D306-A309 PolarHBondContact O-N 3.5Å; D306-E310 PolarHBondContact O-N 3.08Å; D306-E310 VanDerWaalsContact O-N 3.11Å
307F77.6Confident75.6Confident27 Ų2790.9 Ų90.912%0.11845%0.448CS..Hα-helixtrans-60.7-45.5173.1-87.4-80000111.6T247 M253 L258 T303 F304 F305 A309 E310 Y311T247-F307 HydrophobicContact CG2-CE2 3.6Å; T247-F307 HydrophobicContact CG2-CZ 3.92Å; M253-F307 HydrophobicContact CB-CE1 4.26Å; M253-F307 HydrophobicContact CE-CZ 4.46Å; L258-F307 HydrophobicContact CD2-CD2 4.15Å; T303-F307 HydrophobicContact CG2-CD2 3.98Å; T303-F307 HydrophobicContact CG2-CE2 3.9Å; T303-F307 VanDerWaalsContact O-CD2 3.28Å; T303-F307 WeakPolarHBondContact O-CD2 3.44Å; T303-F307 PolarHBondContact O-N 3.01Å; T303-F307 VanDerWaalsContact O-N 3.11Å; F304-F307 PolarHBondContact O-N 2.93Å; F305-F307 VanDerWaalsContact C-N 3.34Å; F305-F307 PolarHBondContact O-N 3.16Å; F307-A309 PolarHBondContact O-N 2.95Å; F307-E310 PolarHBondContact O-N 3.27Å; F307-Y311 VanDerWaalsContact O-CD2 3.3Å; F307-Y311 WeakPolarHBondContact O-CD2 2.85Å; F307-Y311 PolarHBondContact O-N 3.4Å; F307-Y311 VanDerWaalsContact O-N 3.13Å
308K75.3Confident74.6Confident88 Ų8891.9 Ų91.938%0.38345%0.452SS..Hα-helixtrans-63.1-39.1178.2-82.1-163.3169.5178.70113.3E255 F304 F305 D306 E310 Y311 L312E255-K308 WeakPolarHBondContact OE1-CE 3Å; E255-K308 IonicContact OE1-NZ 2.99Å; E255-K308 PolarHBondContact OE1-NZ 3.43Å; F304-K308 HydrophobicContact CD1-CD 4.3Å; F304-K308 HydrophobicContact CE1-CD 3.59Å; F304-K308 HydrophobicContact CE1-CG 4.15Å; F304-K308 HydrophobicContact CZ-CD 4.09Å; F304-K308 PolarHBondContact O-N 3.37Å; F305-K308 PolarHBondContact O-N 3.45Å; F305-K308 VanDerWaalsContact O-N 3.15Å; D306-K308 PolarHBondContact O-N 3.08Å; K308-E310 VanDerWaalsContact C-N 3.34Å; K308-Y311 PolarHBondContact O-N 3.44Å; K308-L312 WeakPolarHBondContact O-CG 3.44Å; K308-L312 PolarHBondContact O-N 2.99Å
309A71.4Confident73.6Confident47 Ų4793.4 Ų93.439%0.38845%0.454SS..Hα-helixtrans-62.1-42.2176.800000111.3F305 D306 F307 Y311 L312 W313F305-A309 WeakPolarHBondContact O-CB 3.5Å; F305-A309 PolarHBondContact O-N 3.27Å; D306-A309 PolarHBondContact O-N 3.5Å; F307-A309 PolarHBondContact O-N 2.95Å; A309-Y311 VanDerWaalsContact C-N 3.3Å; A309-Y311 PolarHBondContact O-N 2.98Å; A309-L312 PolarHBondContact O-N 3.5Å; A309-W313 PolarHBondContact O-N 3.35Å
310E64.1Low72.7Confident99 Ų9998.1 Ų98.146%0.46347%0.471SS..Hα-helixtrans-64-32.6174.1-75.5-163-176.200113.7D306 F307 K308 K314D306-E310 PolarHBondContact O-N 3.08Å; D306-E310 VanDerWaalsContact O-N 3.11Å; F307-E310 PolarHBondContact O-N 3.27Å; K308-E310 VanDerWaalsContact C-N 3.34Å; E310-K314 IonicContact OE2-NZ 3.87Å
311Y60.7Low71.4Confident91 Ų91103.8 Ų103.836%0.35750%0.499SS..Hα-helixtrans-70.3-39.7175.4-93.3-94.4000112.1M252 F307 K308 A309 W313 K314M252-Y311 HydrophobicContact CB-CE2 4.46Å; M252-Y311 WeakPolarHBondContact CB-OH 3.49Å; M252-Y311 HydrophobicContact CE-CD1 3.77Å; M252-Y311 HydrophobicContact CE-CD2 4.43Å; M252-Y311 HydrophobicContact CE-CE1 3.57Å; M252-Y311 HydrophobicContact CE-CE2 4.27Å; M252-Y311 HydrophobicContact CE-CG 4.21Å; M252-Y311 HydrophobicContact CG-CE2 4.16Å; M252-Y311 HydrophobicContact SD-CE1 4.15Å; F307-Y311 VanDerWaalsContact O-CD2 3.3Å; F307-Y311 WeakPolarHBondContact O-CD2 2.85Å; F307-Y311 PolarHBondContact O-N 3.4Å; F307-Y311 VanDerWaalsContact O-N 3.13Å; K308-Y311 PolarHBondContact O-N 3.44Å; A309-Y311 VanDerWaalsContact C-N 3.3Å; A309-Y311 PolarHBondContact O-N 2.98Å; Y311-W313 VanDerWaalsContact C-N 3.32Å; Y311-W313 PolarHBondContact O-N 3.02Å; Y311-K314 PolarHBondContact O-N 3.5Å
312L57.6Low70.1Confident137 Ų137102 Ų10272%0.71750%0.5SS*.Hα-helixtrans-70.4-24.8-178.3-73.4168.4000113.7K308 A309K308-L312 WeakPolarHBondContact O-CG 3.44Å; K308-L312 PolarHBondContact O-N 2.99Å; A309-L312 PolarHBondContact O-N 3.5Å
313W52.6Low68.8Low232 Ų232100.3 Ų100.388%0.87949%0.494SS*.THydrogen-bonded Turntrans-88.1-8.5177.7-86.387.9000114.7A309 Y311A309-W313 PolarHBondContact O-N 3.35Å; Y311-W313 VanDerWaalsContact C-N 3.32Å; Y311-W313 PolarHBondContact O-N 3.02Å
314K52.5Low67.4Low124 Ų124106.1 Ų106.154%0.53952%0.519SS..  trans-104.6-0.6179.9-76177.8-176.7155.50113.9M252 E310 Y311M252-K314 HydrophobicContact CE-CD 4.18Å; E310-K314 IonicContact OE2-NZ 3.87Å; Y311-K314 PolarHBondContact O-N 3.5Å
315C44.2Very low65.7Low168 Ų168113.5 Ų113.5100%1.13556%0.557SS**  trans-98.60169.4-67.50000109.6

Retrieved 315 of 315 residues in 232.7 ms (Link to these results)

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