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Septin

Filament-forming cytoskeletal GTPase. Required for normal organization of the actin cytoskeleton. Required for normal progress through mitosis. Involved in cytokinesis. Required for normal association of CENPE with the kinetochore. Plays a role in ciliogenesis and collective cell movements. Forms a filamentous structure with SEPTIN12, SEPTIN6, SEPTIN2 and probably SEPTIN4 at the sperm annulus which is required for the structural integrity and motility of the sperm tail during postmeiotic differentiation.

AlphaFold DB , UniProt , Accession A0A024RA87, Species HUMAN (Homo sapiens, Human), Gene SEPTIN7, Length 384 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
1M91.9Very high88.4Confident23 Ų2320.2 Ų20.211%0.11314%0.144CC..  0143.30175.3-176.2-87.500108.6V3 V59 T61 V77 Y80 I81 V105 C107 C108 L109M1-V3 HydrophobicContact CG-CG2 4Å; M1-V3 HydrophobicContact SD-CG2 4Å; M1-V59 WeakPolarHBondContact CA-O 3.47Å; M1-V59 HydrophobicContact CB-CB 4.09Å; M1-V59 HydrophobicContact CE-CB 4.28Å; M1-V59 HydrophobicContact CE-CG1 3.79Å; M1-V59 HydrophobicContact CG-CB 4.15Å; M1-V59 HydrophobicContact CG-CG1 4.33Å; M1-T61 HydrophobicContact CE-CG2 4.37Å; M1-T61 HydrophobicContact CG-CG2 3.92Å; M1-T61 HydrophobicContact SD-CG2 4.2Å; M1-V77 HydrophobicContact CE-CG1 4.33Å; M1-V77 HydrophobicContact SD-CG1 3.71Å; M1-Y80 HydrophobicContact CE-CD1 3.28Å; M1-Y80 HydrophobicContact CE-CE1 3.64Å; M1-Y80 HydrophobicContact CE-CG 4.23Å; M1-I81 HydrophobicContact CE-CD1 4.43Å; M1-I81 HydrophobicContact CE-CG1 3.94Å; M1-I81 HydrophobicContact SD-CD1 4.12Å; M1-I81 HydrophobicContact SD-CG1 4.27Å; M1-V105 HydrophobicContact CB-CG1 3.56Å; M1-V105 HydrophobicContact CE-CG1 4.46Å; M1-V105 HydrophobicContact CE-CG2 3.85Å; M1-V105 HydrophobicContact SD-CG1 4.32Å; M1-C107 PolarHBondContact N-O 3.33Å; M1-C108 WeakPolarHBondContact O-CA 3.45Å; M1-L109 PolarHBondContact O-N 2.88Å
2V92.1Very high88.2Confident5 Ų521.5 Ų21.53%0.0315%0.151CC..EExtended strand (participates in β ladder)trans-111.6136.2172.5-63.40000109.9K10 I14 V59 D60 T61 L109 F111V2-K10 HydrophobicContact CB-CB 4.49Å; V2-K10 HydrophobicContact CG2-CB 4.14Å; V2-K10 HydrophobicContact CG2-CD 4.42Å; V2-I14 HydrophobicContact CB-CD1 4.31Å; V2-I14 HydrophobicContact CG1-CD1 3.79Å; V2-I14 HydrophobicContact CG1-CG1 3.87Å; V2-I14 HydrophobicContact CG2-CD1 3.53Å; V2-I14 HydrophobicContact CG2-CG1 4.48Å; V2-V59 PolarHBondContact N-O 2.97Å; V2-D60 HydrophobicContact CG2-CB 4.39Å; V2-D60 VanDerWaalsContact CG2-OD1 3.24Å; V2-D60 WeakPolarHBondContact CG2-OD1 3.49Å; V2-T61 WeakPolarHBondContact O-CB 3.47Å; V2-T61 WeakPolarHBondContact O-CG2 3.45Å; V2-T61 PolarHBondContact O-OG1 2.68Å; V2-L109 HydrophobicContact CG1-CB 4.27Å; V2-L109 HydrophobicContact CG1-CD1 4.27Å; V2-F111 HydrophobicContact CB-CE2 3.89Å; V2-F111 HydrophobicContact CG1-CE2 3.95Å; V2-F111 HydrophobicContact CG1-CZ 4.49Å
3V92.9Very high87.9Confident0 Ų020.2 Ų20.20%014%0.141CC..EExtended strand (participates in β ladder)trans-138.5139.6-178173.70000108.9M1 T61 F64 V77 C108 L109 Y110 F111 F126M1-V3 HydrophobicContact CG-CG2 4Å; M1-V3 HydrophobicContact SD-CG2 4Å; V3-T61 HydrophobicContact CG2-CG2 4.09Å; V3-F64 HydrophobicContact CG1-CD1 4.46Å; V3-F64 HydrophobicContact CG1-CE1 3.79Å; V3-V77 HydrophobicContact CG2-CG1 3.94Å; V3-C108 WeakPolarHBondContact CG2-SG 3.46Å; V3-L109 PolarHBondContact N-O 3.2Å; V3-Y110 HydrophobicContact CB-CD2 4.3Å; V3-Y110 HydrophobicContact CG1-CD2 3.93Å; V3-Y110 HydrophobicContact CG1-CE2 3.87Å; V3-Y110 CarbonylContact O-C 3.55Å; V3-Y110 WeakPolarHBondContact O-CA 3.42Å; V3-F111 WeakPolarHBondContact O-CD2 3.26Å; V3-F111 PolarHBondContact O-N 3.31Å; V3-F126 HydrophobicContact CG1-CD1 4.23Å; V3-F126 HydrophobicContact CG1-CE1 3.55Å; V3-F126 HydrophobicContact CG1-CE2 4.3Å; V3-F126 HydrophobicContact CG1-CZ 3.59Å
4G90.8Very high87.6Confident0 Ų019.2 Ų19.20%013%0.133CC..EExtended strand (participates in β ladder)trans162.8172.9176.100000112.9K10G4-K10 PolarHBondContact O-NZ 2.96Å
5E89.4Confident87.1Confident45 Ų4518.2 Ų18.221%0.2113%0.126CC..BIsolated β-bridgetrans-55.7153.5178.3-168176.7-176.400112.1L8 K10 F64 K120E5-L8 HydrophobicContact CB-CD1 3.75Å; E5-L8 HydrophobicContact CB-CG 3.97Å; E5-K10 PolarHBondContact O-NZ 2.91Å; E5-F64 WeakPolarHBondContact CA-O 3.44Å; E5-F64 HydrophobicContact CB-CE2 4.45Å; E5-F64 WeakPolarHBondContact CG-O 3.44Å; E5-K120 VanDerWaalsContact CD-NZ 3.3Å; E5-K120 IonicContact OE1-NZ 3.73Å; E5-K120 PolarHBondContact OE1-NZ 3.44Å; E5-K120 VanDerWaalsContact OE1-NZ 3.15Å; E5-K120 IonicContact OE2-NZ 2.77Å; E5-K120 PolarHBondContact OE2-NZ 3.07Å
6S86.7Confident86.6Confident27 Ų2717.1 Ų17.119%0.18912%0.118CC..THydrogen-bonded Turntrans-57.4139.8173.7-159.10000111L8 F64 D66S6-L8 VanDerWaalsContact C-N 3.33Å; S6-L8 PolarHBondContact O-N 3.28Å; S6-F64 PolarHBondContact N-O 3.36Å; S6-D66 WeakPolarHBondContact CB-OD1 3.5Å; S6-D66 WeakPolarHBondContact CB-OD2 3.41Å; S6-D66 PolarHBondContact OG-OD1 3.31Å; S6-D66 PolarHBondContact OG-OD2 3.15Å
7G84.5Confident86Confident52 Ų5216.4 Ų16.454%0.53611%0.113SC..THydrogen-bonded Turntrans76.85.9175.100000116.8G9 K142G7-G9 PolarHBondContact O-N 3.3Å; G7-K142 WeakPolarHBondContact O-CE 3.44Å; G7-K142 PolarHBondContact O-NZ 3.48Å
8L88.4Confident85.2Confident15 Ų1517.3 Ų17.38%0.07911%0.114CC..SBendtrans-75.1-2.1174.6-65.9-173.4000114.9E5 S6 F111 A113 A141E5-L8 HydrophobicContact CB-CD1 3.75Å; E5-L8 HydrophobicContact CB-CG 3.97Å; S6-L8 VanDerWaalsContact C-N 3.33Å; S6-L8 PolarHBondContact O-N 3.28Å; L8-F111 HydrophobicContact CB-CB 4.26Å; L8-F111 HydrophobicContact CB-CD1 4.44Å; L8-F111 HydrophobicContact CD1-CB 3.78Å; L8-F111 WeakPolarHBondContact CD1-O 3.34Å; L8-A113 HydrophobicContact CD1-CB 4.4Å; L8-A113 HydrophobicContact CD2-CB 3.88Å; L8-A141 HydrophobicContact CB-CB 3.82Å; L8-A141 HydrophobicContact CD1-CB 4.3Å; L8-A141 HydrophobicContact CD2-CB 4.19Å; L8-A141 HydrophobicContact CG-CB 4.33Å
9G85.7Confident84.1Confident25 Ų2520.2 Ų20.226%0.25813%0.128SC..  trans8527.317800000114.5G7 T12 L13G7-G9 PolarHBondContact O-N 3.3Å; G9-T12 WeakPolarHBondContact O-CB 3.28Å; G9-T12 PolarHBondContact O-N 3.19Å; G9-L13 PolarHBondContact O-N 3.41Å
10K87.4Confident82.8Confident14 Ų1422 Ų226%0.06114%0.139CC..Hα-helixtrans-52.4-55.6177.3-60.8-172.4-68-86.60112.7V2 G4 E5 T12 L13 I14 F111V2-K10 HydrophobicContact CB-CB 4.49Å; V2-K10 HydrophobicContact CG2-CB 4.14Å; V2-K10 HydrophobicContact CG2-CD 4.42Å; G4-K10 PolarHBondContact O-NZ 2.96Å; E5-K10 PolarHBondContact O-NZ 2.91Å; K10-T12 VanDerWaalsContact C-N 3.31Å; K10-T12 PolarHBondContact O-N 3.15Å; K10-L13 PolarHBondContact O-N 3.03Å; K10-I14 WeakPolarHBondContact O-CG1 3.49Å; K10-I14 PolarHBondContact O-N 3.21Å; K10-F111 HydrophobicContact CB-CE2 4.46Å; K10-F111 HydrophobicContact CB-CZ 4.34Å; K10-F111 HydrophobicContact CG-CD1 4.26Å; K10-F111 HydrophobicContact CG-CD2 4Å; K10-F111 HydrophobicContact CG-CE1 4.35Å; K10-F111 HydrophobicContact CG-CE2 4.11Å; K10-F111 HydrophobicContact CG-CG 4.08Å; K10-F111 HydrophobicContact CG-CZ 4.26Å
11S82.7Confident81.4Confident16 Ų1625.5 Ų25.511%0.11216%0.157CC..Hα-helixtrans-65.2-34.5-179.5-36.10000112.1I14 N15 D60S11-I14 PolarHBondContact O-N 2.85Å; S11-N15 PolarHBondContact O-N 3.42Å; S11-D60 PolarHBondContact OG-OD2 3.18Å
12T85.5Confident79.4Confident36 Ų3626.5 Ų26.522%0.22116%0.163CC..Hα-helixtrans-65.1-45.7173.7-53.50000111.5G9 K10 I14 N15 S16G9-T12 WeakPolarHBondContact O-CB 3.28Å; G9-T12 PolarHBondContact O-N 3.19Å; K10-T12 VanDerWaalsContact C-N 3.31Å; K10-T12 PolarHBondContact O-N 3.15Å; T12-I14 VanDerWaalsContact C-N 3.28Å; T12-I14 PolarHBondContact O-N 3.4Å; T12-N15 PolarHBondContact O-N 3.39Å; T12-S16 PolarHBondContact O-N 3.33Å; T12-S16 PolarHBondContact O-OG 2.9Å; T12-S16 VanDerWaalsContact O-OG 3.12Å
13L84.9Confident77.6Confident4 Ų428.8 Ų28.82%0.02117%0.171CC..Hα-helixtrans-62.8-38.6178.1-168.973.1000111.1G9 K10 N15 S16 L17 F111 L139 V195 F229 L232G9-L13 PolarHBondContact O-N 3.41Å; K10-L13 PolarHBondContact O-N 3.03Å; L13-N15 PolarHBondContact O-N 3.23Å; L13-S16 WeakPolarHBondContact O-CB 3.43Å; L13-S16 PolarHBondContact O-N 2.99Å; L13-L17 WeakPolarHBondContact O-CB 3.48Å; L13-L17 PolarHBondContact O-N 3.38Å; L13-F111 HydrophobicContact CB-CE1 4Å; L13-F111 HydrophobicContact CB-CZ 3.88Å; L13-F111 HydrophobicContact CD2-CE1 3.63Å; L13-F111 HydrophobicContact CD2-CE2 4.33Å; L13-F111 HydrophobicContact CD2-CZ 3.31Å; L13-F111 HydrophobicContact CG-CE1 4.42Å; L13-F111 HydrophobicContact CG-CZ 4.21Å; L13-L139 HydrophobicContact CD2-CD1 3.94Å; L13-V195 HydrophobicContact CD1-CB 4.17Å; L13-V195 HydrophobicContact CD1-CG2 4.14Å; L13-V195 HydrophobicContact CD2-CG2 4.04Å; L13-F229 HydrophobicContact CD1-CD2 3.82Å; L13-F229 HydrophobicContact CD1-CE2 3.9Å; L13-L232 HydrophobicContact CD2-CD2 4.06Å
14I83.6Confident75.2Confident7 Ų732.4 Ų32.44%0.03620%0.196CC..Hα-helixtrans-57.3-49.2175.3-74.5166.7000111.1V2 K10 S11 T12 S16 L17 F18 L22 Y23 I58V2-I14 HydrophobicContact CB-CD1 4.31Å; V2-I14 HydrophobicContact CG1-CD1 3.79Å; V2-I14 HydrophobicContact CG1-CG1 3.87Å; V2-I14 HydrophobicContact CG2-CD1 3.53Å; V2-I14 HydrophobicContact CG2-CG1 4.48Å; K10-I14 WeakPolarHBondContact O-CG1 3.49Å; K10-I14 PolarHBondContact O-N 3.21Å; S11-I14 PolarHBondContact O-N 2.85Å; T12-I14 VanDerWaalsContact C-N 3.28Å; T12-I14 PolarHBondContact O-N 3.4Å; I14-S16 VanDerWaalsContact C-N 3.3Å; I14-S16 PolarHBondContact O-N 2.83Å; I14-L17 PolarHBondContact O-N 2.75Å; I14-F18 HydrophobicContact CG2-CD2 4.18Å; I14-F18 HydrophobicContact CG2-CE2 4.37Å; I14-F18 VanDerWaalsContact O-CD2 3.26Å; I14-F18 WeakPolarHBondContact O-CD2 3.31Å; I14-F18 PolarHBondContact O-N 3.32Å; I14-L22 HydrophobicContact CG2-CD1 3.76Å; I14-Y23 HydrophobicContact CG2-CE2 4.32Å; I14-I58 HydrophobicContact CD1-CG2 3.63Å; I14-I58 HydrophobicContact CG1-CG2 4Å; I14-I58 HydrophobicContact CG2-CD1 4.02Å; I14-I58 HydrophobicContact CG2-CG2 4Å
15N80.4Confident72.8Confident4 Ų437.7 Ų37.72%0.02123%0.231CC..Hα-helixtrans-62.9-37.7176.9-76.1-5.4000112.3S11 T12 L13 L19 L22 Y23 N199 R210S11-N15 PolarHBondContact O-N 3.42Å; T12-N15 PolarHBondContact O-N 3.39Å; L13-N15 PolarHBondContact O-N 3.23Å; N15-L19 PolarHBondContact O-N 2.91Å; N15-L22 PolarHBondContact OD1-N 3.34Å; N15-Y23 VanDerWaalsContact OD1-CD2 3.24Å; N15-Y23 WeakPolarHBondContact OD1-CD2 3.37Å; N15-N199 WeakPolarHBondContact CB-OD1 3.45Å; N15-R210 PolarHBondContact O-NH1 3.49Å; N15-R210 VanDerWaalsContact O-NH1 3.1Å
16S78.8Confident70.5Confident0 Ų042.8 Ų42.80%025%0.254CS..Hα-helixtrans-64.2-44.8174.8-58.30000111.7T12 L13 I14 S198T12-S16 PolarHBondContact O-N 3.33Å; T12-S16 PolarHBondContact O-OG 2.9Å; T12-S16 VanDerWaalsContact O-OG 3.12Å; L13-S16 WeakPolarHBondContact O-CB 3.43Å; L13-S16 PolarHBondContact O-N 2.99Å; I14-S16 VanDerWaalsContact C-N 3.3Å; I14-S16 PolarHBondContact O-N 2.83Å; S16-S198 PolarHBondContact OG-N 3.03Å; S16-S198 PolarHBondContact OG-O 3.1Å
17L76.9Confident68.6Low5 Ų548.1 Ų48.13%0.02627%0.271CS..Hα-helixtrans-69.6-36.4-170.5-156137.2000113.4L13 I14 F229 L232 L236 I237L13-L17 WeakPolarHBondContact O-CB 3.48Å; L13-L17 PolarHBondContact O-N 3.38Å; I14-L17 PolarHBondContact O-N 2.75Å; L17-F229 HydrophobicContact CB-CE2 4.33Å; L17-F229 HydrophobicContact CB-CZ 4.47Å; L17-L232 HydrophobicContact CD1-CD2 3.91Å; L17-L232 HydrophobicContact CD1-CG 4.02Å; L17-L236 HydrophobicContact CD1-CD1 3.86Å; L17-L236 HydrophobicContact CD2-CD1 4.24Å; L17-I237 HydrophobicContact CD2-CD1 4.03Å; L17-I237 HydrophobicContact CD2-CG1 4.43Å
18F70.4Confident66.7Low33 Ų3348.5 Ų48.515%0.14526%0.264CS..THydrogen-bonded Turntrans-100.75.8-177.9-56.6-58.8000114.1I14 T20 L22 I47 L56 I58 I237I14-F18 HydrophobicContact CG2-CD2 4.18Å; I14-F18 HydrophobicContact CG2-CE2 4.37Å; I14-F18 VanDerWaalsContact O-CD2 3.26Å; I14-F18 WeakPolarHBondContact O-CD2 3.31Å; I14-F18 PolarHBondContact O-N 3.32Å; F18-T20 PolarHBondContact O-N 2.83Å; F18-T20 PolarHBondContact O-OG1 2.86Å; F18-L22 HydrophobicContact CD2-CD1 4.34Å; F18-I47 HydrophobicContact CB-CD1 4.33Å; F18-I47 HydrophobicContact CD1-CD1 3.38Å; F18-I47 HydrophobicContact CE1-CD1 4.07Å; F18-I47 HydrophobicContact CG-CD1 4.13Å; F18-L56 HydrophobicContact CD1-CD2 3.53Å; F18-L56 HydrophobicContact CD2-CD2 4.24Å; F18-L56 HydrophobicContact CE1-CD2 2.93Å; F18-L56 HydrophobicContact CE1-CG 4.39Å; F18-L56 HydrophobicContact CE2-CD2 3.75Å; F18-L56 HydrophobicContact CG-CD2 4.14Å; F18-L56 HydrophobicContact CZ-CD2 3.07Å; F18-L56 HydrophobicContact CZ-CG 4.43Å; F18-I58 HydrophobicContact CD2-CD1 3.32Å; F18-I58 HydrophobicContact CD2-CG1 4.18Å; F18-I58 HydrophobicContact CE2-CD1 3.33Å; F18-I58 HydrophobicContact CE2-CG1 3.67Å; F18-I58 HydrophobicContact CG-CD1 4.21Å; F18-I58 HydrophobicContact CZ-CD1 4.24Å; F18-I58 HydrophobicContact CZ-CG1 4.26Å; F18-I237 HydrophobicContact CD1-CD1 4.37Å; F18-I237 HydrophobicContact CE1-CD1 4.25Å
19L65.8Low64.4Low72 Ų7249.2 Ų49.238%0.37728%0.276SS..SBendtrans49.720-177.3-58.2177.6000114.2N15 R210N15-L19 PolarHBondContact O-N 2.91Å; L19-R210 PolarHBondContact O-NH2 3.29Å
20T57.5Low62.4Low56 Ų5654.3 Ų54.334%0.34430%0.304SS..SBendtrans-120.6133.4-172.4-520000108.2F18 L22 V45F18-T20 PolarHBondContact O-N 2.83Å; F18-T20 PolarHBondContact O-OG1 2.86Å; T20-L22 HydrophobicContact CG2-CD2 3.69Å; T20-L22 HydrophobicContact CG2-CG 4.17Å; T20-L22 PolarHBondContact O-N 2.9Å; T20-V45 HydrophobicContact CG2-CG1 4.5Å
21D53.8Low60.2Low96 Ų9658.8 Ų58.851%0.51334%0.337SS..  trans-77.377.7173.8-64.1-37.8000109.2Y23D21-Y23 VanDerWaalsContact C-N 3.27Å; D21-Y23 PolarHBondContact O-N 3.3Å
22L50.4Low58.4Low45 Ų4564.6 Ų64.624%0.23636%0.362CS..  trans-71.6-26.1-178.8-63.4173.2000112.5I14 N15 F18 T20 V45 I58I14-L22 HydrophobicContact CG2-CD1 3.76Å; N15-L22 PolarHBondContact OD1-N 3.34Å; F18-L22 HydrophobicContact CD2-CD1 4.34Å; T20-L22 HydrophobicContact CG2-CD2 3.69Å; T20-L22 HydrophobicContact CG2-CG 4.17Å; T20-L22 PolarHBondContact O-N 2.9Å; L22-V45 HydrophobicContact CD1-CG2 3.66Å; L22-V45 HydrophobicContact CD2-CB 4.28Å; L22-V45 HydrophobicContact CD2-CG1 4.05Å; L22-V45 HydrophobicContact CD2-CG2 3.26Å; L22-V45 HydrophobicContact CG-CG2 4.09Å; L22-I58 HydrophobicContact CD1-CD1 3.41Å; L22-I58 VanDerWaalsContact CD1-CD1 3.41Å
23Y52.6Low56.8Low53 Ų5373.7 Ų73.721%0.20839%0.392CS..SBendtrans-107.9109.4171.5-55.5-79.7000107.2I14 N15 D21I14-Y23 HydrophobicContact CG2-CE2 4.32Å; N15-Y23 VanDerWaalsContact OD1-CD2 3.24Å; N15-Y23 WeakPolarHBondContact OD1-CD2 3.37Å; D21-Y23 VanDerWaalsContact C-N 3.27Å; D21-Y23 PolarHBondContact O-N 3.3Å
24S42.2Very low55.6Low76 Ų7677 Ų7753%0.53141%0.41SS..  trans20.6127.8177.1-165.60000118.3E26S24-E26 PolarHBondContact O-N 2.97Å
25P41.5Very low54.3Low111 Ų11185.8 Ų85.872%0.72145%0.447SS*.SBendtrans-65.1-9.2177.228.8-35.6000114.5Y27P25-Y27 PolarHBondContact O-N 3.3Å
26E41Very low53.5Low151 Ų15192.4 Ų92.471%0.70648%0.476SS*.  trans-76.194.9173.5-74.8173.8166.800109.9S24 P28S24-E26 PolarHBondContact O-N 2.97Å; E26-P28 WeakPolarHBondContact O-CD 3.36Å; E26-P28 VanDerWaalsContact O-N 3.07Å
27Y47.3Very low52.6Low140 Ų14093.7 Ų93.755%0.54948%0.484SS..  trans-61102.5165.1-165.7-83.1000108.1P25 G29 N199 T200P25-Y27 PolarHBondContact O-N 3.3Å; Y27-G29 PolarHBondContact O-N 3.5Å; Y27-N199 HydrophobicContact CE2-CB 4.23Å; Y27-T200 PolarHBondContact OH-OG1 3.34Å
28P43.4Very low52Low59 Ų5999.2 Ų99.238%0.38352%0.517SS..  trans-94.849.4-164.541.8-32000107.9E26 H32E26-P28 WeakPolarHBondContact O-CD 3.36Å; E26-P28 VanDerWaalsContact O-N 3.07Å; P28-H32 HydrophobicContact CB-CB 3.26Å; P28-H32 HydrophobicContact CG-CB 3.29Å; P28-H32 VanDerWaalsContact O-CB 3.28Å; P28-H32 WeakPolarHBondContact O-CB 3.25Å; P28-H32 PolarHBondContact O-N 2.87Å
29G39.9Very low52.2Low31 Ų31104.5 Ų104.532%0.3254%0.543SS..THydrogen-bonded Turntrans52.3-172.3-176.600000114.9Y27 S31Y27-G29 PolarHBondContact O-N 3.5Å; G29-S31 PolarHBondContact O-N 3.43Å
30P45.6Very low53Low131 Ų131103 Ų10385%0.85154%0.536SS*.THydrogen-bonded Turntrans-66.5-13.4172.6-17.130.7000113.4
31S41Very low54.1Low108 Ų108105.1 Ų105.176%0.75554%0.542SS*.THydrogen-bonded Turntrans-95.7-30.8-166.7-49.80000114.1G29G29-S31 PolarHBondContact O-N 3.43Å
32H43.4Very low55.6Low139 Ų139104.7 Ų104.764%0.64454%0.537SS*.SBendtrans-89.9114.2168.2-89.252.4000109.3P28P28-H32 HydrophobicContact CB-CB 3.26Å; P28-H32 HydrophobicContact CG-CB 3.29Å; P28-H32 VanDerWaalsContact O-CB 3.28Å; P28-H32 WeakPolarHBondContact O-CB 3.25Å; P28-H32 PolarHBondContact O-N 2.87Å
33R52.5Low57.1Low227 Ų227104.1 Ų104.186%0.85754%0.537SS*.PPolyproline II helixtrans-78.2138.8170.7-65178.6176.9-171.8-1.5108.6K35R33-K35 PolarHBondContact O-N 2.87Å
34I59.4Low58.6Low74 Ų74107.6 Ų107.638%0.37955%0.553SS.*PPolyproline II helixtrans-50.5129163.7-61.3164.5000107K36I34-K36 PolarHBondContact O-N 2.89Å
35K57.2Low60.5Low191 Ų191104.4 Ų104.483%0.8353%0.531SS*.PPolyproline II helixtrans-55.4137.8-178.6-71.2-178.6-179.8176.50108.9R33 T37R33-K35 PolarHBondContact O-N 2.87Å; K35-T37 PolarHBondContact O-N 3.06Å
36K63.1Low62.4Low142 Ų142104.5 Ų104.562%0.61752%0.524SS*.PPolyproline II helixtrans-60.7129.1175.7-72.8-170.5171.2-163.80109.1I34 V38 D66I34-K36 PolarHBondContact O-N 2.89Å; K36-V38 WeakPolarHBondContact O-CG2 3.45Å; K36-V38 PolarHBondContact O-N 3.04Å; K36-D66 IonicContact NZ-OD2 2.82Å; K36-D66 PolarHBondContact NZ-OD2 2.88Å
37T60.3Low64.1Low28 Ų2898.5 Ų98.517%0.17250%0.497CS..  trans-66.3115.2173.3-45.30000109K35 Q39 D60 P62K35-T37 PolarHBondContact O-N 3.06Å; T37-Q39 WeakPolarHBondContact CG2-O 2.99Å; T37-D60 HydrophobicContact CG2-CB 4.44Å; T37-D60 PolarHBondContact OG1-OD2 2.85Å; T37-P62 WeakPolarHBondContact O-CA 3.4Å; T37-P62 VanDerWaalsContact O-CB 3.3Å; T37-P62 WeakPolarHBondContact O-CB 3.35Å
38V64.3Low65.5Low120 Ų12099 Ų9973%0.72750%0.502SS*.  trans-98.2-22.9-177.9-172.80000111.7K36K36-V38 WeakPolarHBondContact O-CG2 3.45Å; K36-V38 PolarHBondContact O-N 3.04Å
39Q73.6Confident66.7Low145 Ų14598.7 Ų98.768%0.67850%0.495SS*.SBendtrans-136.6164.1-178.5-65.6-174.3-7.600110.8T37 E41T37-Q39 WeakPolarHBondContact CG2-O 2.99Å; Q39-E41 PolarHBondContact O-N 3.35Å
40V82.3Confident68Low40 Ų40101.6 Ų101.624%0.24253%0.526CS..  trans-71.1113176.9-1780000109.2V59 D60 T61 Y80V40-V59 HydrophobicContact CG1-CG1 3.37Å; V40-D60 WeakPolarHBondContact CA-O 3.36Å; V40-T61 HydrophobicContact CG1-CG2 4.46Å; V40-T61 HydrophobicContact CG2-CG2 4.44Å; V40-Y80 HydrophobicContact CB-CD2 4.37Å; V40-Y80 HydrophobicContact CG1-CD2 3.65Å; V40-Y80 HydrophobicContact CG1-CE2 3.86Å; V40-Y80 HydrophobicContact CG1-CG 4.04Å
41E81.1Confident69.3Low101 Ų10198.3 Ų98.347%0.47252%0.515SS..EExtended strand (participates in β ladder)trans-108141.3-178.5-71.6-174.4-179.900111Q39 V59 D60Q39-E41 PolarHBondContact O-N 3.35Å; E41-V59 CarbonylContact O-C 3.57Å; E41-V59 WeakPolarHBondContact O-CA 3.41Å; E41-D60 PolarHBondContact N-O 3.29Å; E41-D60 PolarHBondContact O-N 3.01Å
42Q84.8Confident71.1Confident87 Ų8797.4 Ų97.441%0.40751%0.505SS..EExtended strand (participates in β ladder)trans-112.7125.3177.6-65.6177.245.400110.3I58 V59 Y80Q42-I58 CarbonylContact C-O 3.46Å; Q42-I58 WeakPolarHBondContact CA-O 3.47Å; Q42-V59 HydrophobicContact CG-CG2 4.28Å; Q42-Y80 HydrophobicContact CG-CE2 4.24Å; Q42-Y80 VanDerWaalsContact CG-OH 3.25Å; Q42-Y80 WeakPolarHBondContact CG-OH 3.2Å; Q42-Y80 PolarHBondContact NE2-OH 3.31Å; Q42-Y80 PolarHBondContact OE1-OH 3.25Å
43S82.8Confident72.8Confident32 Ų3297 Ų9722%0.22450%0.503CS..EExtended strand (participates in β ladder)trans-116.3130173.4-67.80000109.9I58S43-I58 PolarHBondContact N-O 3.17Å; S43-I58 PolarHBondContact O-N 2.53Å
44K84.1Confident74.1Confident126 Ų12688.2 Ų88.255%0.54847%0.473SS..EExtended strand (participates in β ladder)trans-105.9129.8177.6-67.7-175.6177.7-176.50110L55 L56 T57K44-L55 HydrophobicContact CB-CD1 4.28Å; K44-L56 CarbonylContact C-O 3.59Å; K44-L56 WeakPolarHBondContact CA-O 3.44Å; K44-T57 HydrophobicContact CG-CG2 4.2Å
45V81.5Confident75.4Confident10 Ų1090.1 Ų90.16%0.06148%0.484CS..EExtended strand (participates in β ladder)trans-129.7127.2-175.1-167.80000108.4T20 L22 I47 L56 I58T20-V45 HydrophobicContact CG2-CG1 4.5Å; L22-V45 HydrophobicContact CD1-CG2 3.66Å; L22-V45 HydrophobicContact CD2-CB 4.28Å; L22-V45 HydrophobicContact CD2-CG1 4.05Å; L22-V45 HydrophobicContact CD2-CG2 3.26Å; L22-V45 HydrophobicContact CG-CG2 4.09Å; V45-I47 HydrophobicContact CG1-CG1 4.01Å; V45-L56 PolarHBondContact N-O 3.29Å; V45-L56 PolarHBondContact O-N 2.88Å; V45-I58 HydrophobicContact CG2-CD1 3.7Å
46L81.8Confident76.7Confident113 Ų11383.5 Ų83.559%0.59246%0.457SS*.EExtended strand (participates in β ladder)trans-91.7112.3172.7-170.170.6000108.6Q53 L55L46-Q53 HydrophobicContact CD1-CB 4.3Å; L46-L55 HydrophobicContact CD1-CB 4.36Å; L46-L55 HydrophobicContact CD1-CD1 4.47Å
47I77.8Confident77.9Confident24 Ų2478.7 Ų78.712%0.12344%0.44CS..EExtended strand (participates in β ladder)trans-104.7136.8178.9-58.9173.5000108.1F18 V45 E49 L54 L56F18-I47 HydrophobicContact CB-CD1 4.33Å; F18-I47 HydrophobicContact CD1-CD1 3.38Å; F18-I47 HydrophobicContact CE1-CD1 4.07Å; F18-I47 HydrophobicContact CG-CD1 4.13Å; V45-I47 HydrophobicContact CG1-CG1 4.01Å; I47-E49 HydrophobicContact CG2-CG 4.02Å; I47-L54 PolarHBondContact N-O 3.07Å; I47-L54 PolarHBondContact O-N 3.1Å; I47-L56 HydrophobicContact CD1-CB 4.2Å; I47-L56 HydrophobicContact CD1-CD2 3.96Å
48K76.9Confident79.2Confident152 Ų15277.9 Ų77.966%0.66143%0.434SS*.EExtended strand (participates in β ladder)trans-115.8105.7174-169.3-179.9179.6-176.50109V52 Q53K48-V52 WeakPolarHBondContact CA-O 3.46Å; K48-Q53 HydrophobicContact CG-CG 4.38Å
49E68Low80.4Confident51 Ų5172.4 Ų72.424%0.23840%0.401CS..EExtended strand (participates in β ladder)trans-122.7133174-76.1-161169.500109.8I47 G51 V52 R233 I237 R238I47-E49 HydrophobicContact CG2-CG 4.02Å; E49-G51 PolarHBondContact O-N 3.08Å; E49-V52 PolarHBondContact N-O 2.8Å; E49-V52 VanDerWaalsContact N-O 3.15Å; E49-V52 PolarHBondContact O-N 2.66Å; E49-R233 IonicContact OE1-NH2 3.77Å; E49-I237 VanDerWaalsContact OE2-CG2 3.25Å; E49-I237 WeakPolarHBondContact OE2-CG2 3.07Å; E49-R238 IonicContact OE2-NE 2.78Å
50G66.1Low81Confident93 Ų9365.6 Ų65.696%0.95937%0.369SS*.THydrogen-bonded Turntrans61.119.1174.400000115.9
51G72.6Confident81.2Confident62 Ų6263.7 Ų63.764%0.63936%0.358SS*.THydrogen-bonded Turntrans90.3-7.5-175.600000114.7E49E49-G51 PolarHBondContact O-N 3.08Å
52V78.8Confident81.3Confident89 Ų8960.4 Ų60.454%0.53935%0.345SS..EExtended strand (participates in β ladder)trans-92.8134.9175-177.10000109.7K48 E49 L54K48-V52 WeakPolarHBondContact CA-O 3.46Å; E49-V52 PolarHBondContact N-O 2.8Å; E49-V52 VanDerWaalsContact N-O 3.15Å; E49-V52 PolarHBondContact O-N 2.66Å; V52-L54 HydrophobicContact CG1-CD2 4.23Å; V52-L54 HydrophobicContact CG1-CG 4.26Å
53Q80.8Confident81Confident129 Ų12957.4 Ų57.460%0.60334%0.338SS*.EExtended strand (participates in β ladder)trans-94.7119.2172.2-67.2-177-2.900109.5L46 K48L46-Q53 HydrophobicContact CD1-CB 4.3Å; K48-Q53 HydrophobicContact CG-CG 4.38Å
54L79.8Confident81Confident43 Ų4356.5 Ų56.523%0.22533%0.33CS..EExtended strand (participates in β ladder)trans-110.9117.8179.1-67.2167.6000108.8I47 V52 L56 M241I47-L54 PolarHBondContact N-O 3.07Å; I47-L54 PolarHBondContact O-N 3.1Å; V52-L54 HydrophobicContact CG1-CD2 4.23Å; V52-L54 HydrophobicContact CG1-CG 4.26Å; L54-L56 PolarHBondContact O-N 2.89Å; L54-M241 HydrophobicContact CD1-CE 4.31Å; L54-M241 HydrophobicContact CD2-CE 3.86Å; L54-M241 HydrophobicContact CD2-SD 4.25Å
55L85.5Confident80.7Confident114 Ų11451.7 Ų51.760%0.59732%0.316SS*.EExtended strand (participates in β ladder)trans-84.6103.8168.8-178.167000108.5K44 L46K44-L55 HydrophobicContact CB-CD1 4.28Å; L46-L55 HydrophobicContact CD1-CB 4.36Å; L46-L55 HydrophobicContact CD1-CD1 4.47Å
56L84.5Confident80.6Confident53 Ų5355.6 Ų55.628%0.27734%0.336SS..EExtended strand (participates in β ladder)trans-94.3131.3177.4-172.472.4000110.7F18 K44 V45 I47 L54 I58F18-L56 HydrophobicContact CD1-CD2 3.53Å; F18-L56 HydrophobicContact CD2-CD2 4.24Å; F18-L56 HydrophobicContact CE1-CD2 2.93Å; F18-L56 HydrophobicContact CE1-CG 4.39Å; F18-L56 HydrophobicContact CE2-CD2 3.75Å; F18-L56 HydrophobicContact CG-CD2 4.14Å; F18-L56 HydrophobicContact CZ-CD2 3.07Å; F18-L56 HydrophobicContact CZ-CG 4.43Å; K44-L56 CarbonylContact C-O 3.59Å; K44-L56 WeakPolarHBondContact CA-O 3.44Å; V45-L56 PolarHBondContact N-O 3.29Å; V45-L56 PolarHBondContact O-N 2.88Å; I47-L56 HydrophobicContact CD1-CB 4.2Å; I47-L56 HydrophobicContact CD1-CD2 3.96Å; L54-L56 PolarHBondContact O-N 2.89Å; L56-I58 HydrophobicContact CD2-CD1 4.17Å; L56-I58 HydrophobicContact CD2-CG1 3.89Å; L56-I58 HydrophobicContact CG-CG1 4.18Å
57T88.6Confident80.5Confident41 Ų4152.9 Ų52.925%0.25233%0.33SS..EExtended strand (participates in β ladder)trans-107117.3171.1-55.60000109.1K44K44-T57 HydrophobicContact CG-CG2 4.2Å
58I87.7Confident80.5Confident10 Ų1059.5 Ų59.55%0.05137%0.371CS..EExtended strand (participates in β ladder)trans-101.1130.5177.8-57.9155.8000107.2I14 F18 L22 Q42 S43 V45 L56I14-I58 HydrophobicContact CD1-CG2 3.63Å; I14-I58 HydrophobicContact CG1-CG2 4Å; I14-I58 HydrophobicContact CG2-CD1 4.02Å; I14-I58 HydrophobicContact CG2-CG2 4Å; F18-I58 HydrophobicContact CD2-CD1 3.32Å; F18-I58 HydrophobicContact CD2-CG1 4.18Å; F18-I58 HydrophobicContact CE2-CD1 3.33Å; F18-I58 HydrophobicContact CE2-CG1 3.67Å; F18-I58 HydrophobicContact CG-CD1 4.21Å; F18-I58 HydrophobicContact CZ-CD1 4.24Å; F18-I58 HydrophobicContact CZ-CG1 4.26Å; L22-I58 HydrophobicContact CD1-CD1 3.41Å; L22-I58 VanDerWaalsContact CD1-CD1 3.41Å; Q42-I58 CarbonylContact C-O 3.46Å; Q42-I58 WeakPolarHBondContact CA-O 3.47Å; S43-I58 PolarHBondContact N-O 3.17Å; S43-I58 PolarHBondContact O-N 2.53Å; V45-I58 HydrophobicContact CG2-CD1 3.7Å; L56-I58 HydrophobicContact CD2-CD1 4.17Å; L56-I58 HydrophobicContact CD2-CG1 3.89Å; L56-I58 HydrophobicContact CG-CG1 4.18Å
59V89.4Confident80.7Confident6 Ų657.6 Ų57.64%0.03637%0.368CS..EExtended strand (participates in β ladder)trans-113.3110.9177.5-173.20000107.1M1 V2 V40 E41 Q42 Y80M1-V59 WeakPolarHBondContact CA-O 3.47Å; M1-V59 HydrophobicContact CB-CB 4.09Å; M1-V59 HydrophobicContact CE-CB 4.28Å; M1-V59 HydrophobicContact CE-CG1 3.79Å; M1-V59 HydrophobicContact CG-CB 4.15Å; M1-V59 HydrophobicContact CG-CG1 4.33Å; V2-V59 PolarHBondContact N-O 2.97Å; V40-V59 HydrophobicContact CG1-CG1 3.37Å; E41-V59 CarbonylContact O-C 3.57Å; E41-V59 WeakPolarHBondContact O-CA 3.41Å; Q42-V59 HydrophobicContact CG-CG2 4.28Å; V59-Y80 HydrophobicContact CB-CE1 4.47Å; V59-Y80 HydrophobicContact CG1-CD1 4.36Å; V59-Y80 HydrophobicContact CG1-CE1 3.79Å; V59-Y80 HydrophobicContact CG1-CE2 4.34Å; V59-Y80 HydrophobicContact CG2-CE1 3.98Å; V59-Y80 WeakPolarHBondContact CG2-OH 3.33Å
60D87.1Confident81.3Confident1 Ų156.9 Ų56.91%0.00537%0.366CS..EExtended strand (participates in β ladder)trans-89.5134.9171.3-164.718.6000109.1V2 S11 T37 V40 E41V2-D60 HydrophobicContact CG2-CB 4.39Å; V2-D60 VanDerWaalsContact CG2-OD1 3.24Å; V2-D60 WeakPolarHBondContact CG2-OD1 3.49Å; S11-D60 PolarHBondContact OG-OD2 3.18Å; T37-D60 HydrophobicContact CG2-CB 4.44Å; T37-D60 PolarHBondContact OG1-OD2 2.85Å; V40-D60 WeakPolarHBondContact CA-O 3.36Å; E41-D60 PolarHBondContact N-O 3.29Å; E41-D60 PolarHBondContact O-N 3.01Å
61T85.5Confident82.1Confident0 Ų056 Ų560%035%0.345CS..  trans-113.7146.1-178.864.20000109.7M1 V2 V3 V40 G63 V77M1-T61 HydrophobicContact CE-CG2 4.37Å; M1-T61 HydrophobicContact CG-CG2 3.92Å; M1-T61 HydrophobicContact SD-CG2 4.2Å; V2-T61 WeakPolarHBondContact O-CB 3.47Å; V2-T61 WeakPolarHBondContact O-CG2 3.45Å; V2-T61 PolarHBondContact O-OG1 2.68Å; V3-T61 HydrophobicContact CG2-CG2 4.09Å; V40-T61 HydrophobicContact CG1-CG2 4.46Å; V40-T61 HydrophobicContact CG2-CG2 4.44Å; T61-G63 PolarHBondContact O-N 3.43Å; T61-V77 HydrophobicContact CG2-CG2 3.94Å
62P82.8Confident82.5Confident33 Ų3358.3 Ų58.321%0.21434%0.343CS..PPolyproline II helixtrans-58.2142.8175.525.2-33000110.1T37 F64T37-P62 WeakPolarHBondContact O-CA 3.4Å; T37-P62 VanDerWaalsContact O-CB 3.3Å; T37-P62 WeakPolarHBondContact O-CB 3.35Å; P62-F64 PolarHBondContact O-N 2.88Å
63G79.4Confident82.9Confident24 Ų2455.5 Ų55.525%0.24733%0.327CS..PPolyproline II helixtrans-64.6130.4174.300000110.6T61T61-G63 PolarHBondContact O-N 3.43Å
64F82.6Confident83.2Confident12 Ų1250 Ų505%0.05330%0.301CS..BIsolated β-bridgetrans-89.2168168.359.4-97.9000110.7V3 E5 S6 P62 C73 Y110 L122 F126V3-F64 HydrophobicContact CG1-CD1 4.46Å; V3-F64 HydrophobicContact CG1-CE1 3.79Å; E5-F64 WeakPolarHBondContact CA-O 3.44Å; E5-F64 HydrophobicContact CB-CE2 4.45Å; E5-F64 WeakPolarHBondContact CG-O 3.44Å; S6-F64 PolarHBondContact N-O 3.36Å; P62-F64 PolarHBondContact O-N 2.88Å; F64-C73 HydrophobicContact CB-CB 3.68Å; F64-Y110 HydrophobicContact CZ-CE2 4.42Å; F64-Y110 AromaticContact CZ-CZ 3.97Å; F64-Y110 VanDerWaalsContact CZ-OH 3.23Å; F64-Y110 WeakPolarHBondContact CZ-OH 3.36Å; F64-L122 HydrophobicContact CD2-CD2 3.71Å; F64-L122 HydrophobicContact CD2-CG 4.26Å; F64-L122 HydrophobicContact CE2-CD2 4.11Å; F64-L122 HydrophobicContact CE2-CG 4.37Å; F64-F126 AromaticContact CD1-CD2 3.95Å; F64-F126 HydrophobicContact CD1-CD2 3.95Å; F64-F126 AromaticContact CD1-CE2 3.55Å; F64-F126 HydrophobicContact CD1-CE2 3.55Å; F64-F126 HydrophobicContact CD1-CZ 4.34Å; F64-F126 AromaticContact CE1-CD2 3.87Å; F64-F126 HydrophobicContact CE1-CD2 3.87Å; F64-F126 AromaticContact CE1-CE2 3.77Å; F64-F126 HydrophobicContact CE1-CE2 3.77Å; F64-F126 HydrophobicContact CE1-CZ 4.38Å; F64-F126 HydrophobicContact CG-CD2 4.32Å; F64-F126 HydrophobicContact CG-CE2 4.16Å; F64-F126 HydrophobicContact CZ-CD2 4.22Å
65G77.7Confident83.7Confident25 Ų2551.4 Ų51.426%0.25831%0.306SS..SBendtrans90.5-4.5176.400000115.7N70G65-N70 VanDerWaalsContact CA-OD1 3.28Å; G65-N70 WeakPolarHBondContact CA-OD1 3.37Å; G65-N70 PolarHBondContact N-OD1 2.97Å; G65-N70 VanDerWaalsContact N-OD1 3.09Å
66D79.9Confident83.9Confident92 Ų9249 Ų4949%0.49230%0.298SS..  trans-80.7-21.5177.6-82.2-5.1000112.7S6 K36S6-D66 WeakPolarHBondContact CB-OD1 3.5Å; S6-D66 WeakPolarHBondContact CB-OD2 3.41Å; S6-D66 PolarHBondContact OG-OD1 3.31Å; S6-D66 PolarHBondContact OG-OD2 3.15Å; K36-D66 IonicContact NZ-OD2 2.82Å; K36-D66 PolarHBondContact NZ-OD2 2.88Å
67A78.7Confident84.2Confident56 Ų5646.7 Ų46.746%0.46329%0.286SS..SBendtrans-88.6157.5-176.600000112D69 N70A67-D69 VanDerWaalsContact C-N 3.34Å; A67-D69 VanDerWaalsContact CB-O 3.31Å; A67-D69 WeakPolarHBondContact CB-O 3.11Å; A67-N70 PolarHBondContact O-ND2 2.91Å
68V78Confident84.4Confident163 Ų16345.4 Ų45.499%0.98828%0.277SS*.SBendtrans-67.2-39.5172.3179.30000110.5
69D81Confident84.6Confident112 Ų11248.8 Ų48.860%0.59930%0.295SS*.  trans-106.1118.5172.3-1786.5000109.9A67 S71A67-D69 VanDerWaalsContact C-N 3.34Å; A67-D69 VanDerWaalsContact CB-O 3.31Å; A67-D69 WeakPolarHBondContact CB-O 3.11Å; D69-S71 VanDerWaalsContact OD1-CB 3.26Å; D69-S71 WeakPolarHBondContact OD1-CB 3.31Å; D69-S71 PolarHBondContact OD1-N 2.93Å; D69-S71 PolarHBondContact OD1-OG 3.48Å
70N81.2Confident84.8Confident36 Ų3649.9 Ų49.919%0.19330%0.299CS..  trans-114.814.7177-63.4-78.4000112.4G65 A67 N72 C73 L122G65-N70 VanDerWaalsContact CA-OD1 3.28Å; G65-N70 WeakPolarHBondContact CA-OD1 3.37Å; G65-N70 PolarHBondContact N-OD1 2.97Å; G65-N70 VanDerWaalsContact N-OD1 3.09Å; A67-N70 PolarHBondContact O-ND2 2.91Å; N70-N72 PolarHBondContact O-N 3.4Å; N70-C73 HydrophobicContact CB-CB 4.42Å; N70-C73 PolarHBondContact O-N 2.84Å; N70-C73 PolarHBondContact O-SG 3.34Å; N70-C73 VanDerWaalsContact O-SG 3.37Å; N70-L122 HydrophobicContact CB-CD1 4.07Å; N70-L122 HydrophobicContact CB-CD2 4.24Å
71S82.2Confident85.1Confident74 Ų7449.9 Ų49.952%0.51730%0.299SS..THydrogen-bonded Turntrans-61.8-14.8-173-72.80000115.3D69 W74D69-S71 VanDerWaalsContact OD1-CB 3.26Å; D69-S71 WeakPolarHBondContact OD1-CB 3.31Å; D69-S71 PolarHBondContact OD1-N 2.93Å; D69-S71 PolarHBondContact OD1-OG 3.48Å; S71-W74 WeakPolarHBondContact O-CH2 3.25Å; S71-W74 WeakPolarHBondContact O-CZ2 3.42Å
72N82.6Confident85.4Confident111 Ų11151.4 Ų51.459%0.59431%0.307SS*.THydrogen-bonded Turntrans-13021.9178.3-68.1-50.8000113.4N70 W74 Q75N70-N72 PolarHBondContact O-N 3.4Å; N72-W74 PolarHBondContact O-N 3.41Å; N72-Q75 WeakPolarHBondContact O-CB 3.48Å; N72-Q75 PolarHBondContact O-N 2.88Å; N72-Q75 VanDerWaalsContact O-N 3.11Å
73C85.4Confident85.9Confident30 Ų3052.3 Ų52.320%0.20331%0.314CS..THydrogen-bonded Turntrans-66.6-20.4-172.868.10000114.5F64 N70F64-C73 HydrophobicContact CB-CB 3.68Å; N70-C73 HydrophobicContact CB-CB 4.42Å; N70-C73 PolarHBondContact O-N 2.84Å; N70-C73 PolarHBondContact O-SG 3.34Å; N70-C73 VanDerWaalsContact O-SG 3.37Å
74W88.4Confident86.5Confident13 Ų1352.7 Ų52.75%0.04931%0.309CS..THydrogen-bonded Turntrans-81.3-19.1175.849.171.6000113.6S71 N72 V77 I78 L122 E125 F126 R129S71-W74 WeakPolarHBondContact O-CH2 3.25Å; S71-W74 WeakPolarHBondContact O-CZ2 3.42Å; N72-W74 PolarHBondContact O-N 3.41Å; W74-V77 PolarHBondContact O-N 3.3Å; W74-V77 VanDerWaalsContact O-N 3.09Å; W74-I78 HydrophobicContact CB-CD1 4.16Å; W74-I78 HydrophobicContact CG-CD1 4.19Å; W74-I78 WeakPolarHBondContact O-CG1 3.44Å; W74-I78 PolarHBondContact O-N 3.45Å; W74-L122 HydrophobicContact CZ3-CD1 4.19Å; W74-E125 HydrophobicContact CH2-CG 3.79Å; W74-E125 HydrophobicContact CZ2-CG 4.47Å; W74-E125 HydrophobicContact CZ3-CB 4.41Å; W74-E125 HydrophobicContact CZ3-CG 3.84Å; W74-F126 VanDerWaalsContact CA-CE2 3.48Å; W74-F126 HydrophobicContact CB-CD1 4.27Å; W74-F126 HydrophobicContact CB-CD2 3.79Å; W74-F126 HydrophobicContact CB-CE1 4.08Å; W74-F126 HydrophobicContact CB-CE2 3.6Å; W74-F126 HydrophobicContact CB-CG 4.11Å; W74-F126 HydrophobicContact CB-CZ 3.74Å; W74-F126 HydrophobicContact CE3-CD2 4.37Å; W74-R129 VanDerWaalsContact CZ2-NH1 3.28Å
75Q89.8Confident87Confident73 Ų7352.1 Ų52.134%0.34131%0.307SS..Hα-helixtrans-58.3-46-171.4-165.364.247.100112.5N72 V77 I78 D79N72-Q75 WeakPolarHBondContact O-CB 3.48Å; N72-Q75 PolarHBondContact O-N 2.88Å; N72-Q75 VanDerWaalsContact O-N 3.11Å; Q75-V77 PolarHBondContact O-N 2.84Å; Q75-I78 PolarHBondContact O-N 2.74Å; Q75-D79 PolarHBondContact NE2-OD1 3Å; Q75-D79 WeakPolarHBondContact O-CB 3.24Å; Q75-D79 PolarHBondContact O-N 3.28Å
76P89.5Confident87.7Confident65 Ų6553.1 Ų53.142%0.42231%0.305SS..Hα-helixtrans-61.5-31.7178.4-2334.9000113.7Y80P76-Y80 VanDerWaalsContact O-CB 3.29Å; P76-Y80 WeakPolarHBondContact O-CB 3.48Å; P76-Y80 PolarHBondContact O-N 3Å; P76-Y80 VanDerWaalsContact O-N 3.14Å
77V91.2Very high88.2Confident4 Ų452.6 Ų52.62%0.02430%0.302CS..Hα-helixtrans-75.8-43179.1179.30000110.5M1 V3 T61 W74 Q75 Y80 I81 F126 L130M1-V77 HydrophobicContact CE-CG1 4.33Å; M1-V77 HydrophobicContact SD-CG1 3.71Å; V3-V77 HydrophobicContact CG2-CG1 3.94Å; T61-V77 HydrophobicContact CG2-CG2 3.94Å; W74-V77 PolarHBondContact O-N 3.3Å; W74-V77 VanDerWaalsContact O-N 3.09Å; Q75-V77 PolarHBondContact O-N 2.84Å; V77-Y80 PolarHBondContact O-N 3.03Å; V77-I81 HydrophobicContact CG1-CD1 4.25Å; V77-I81 WeakPolarHBondContact O-CG1 3.38Å; V77-I81 PolarHBondContact O-N 3.24Å; V77-I81 VanDerWaalsContact O-N 3.1Å; V77-F126 HydrophobicContact CB-CZ 4.13Å; V77-F126 HydrophobicContact CG1-CE1 4.47Å; V77-F126 HydrophobicContact CG1-CZ 4.43Å; V77-F126 HydrophobicContact CG2-CZ 4.01Å; V77-L130 HydrophobicContact CG1-CD1 4.46Å
78I92.1Very high88.7Confident14 Ų1453.4 Ų53.47%0.07229%0.293CS..Hα-helixtrans-63.9-48.4176.5-66.5174.7000110.4W74 Q75 Y80 I81 D82 R129 K133W74-I78 HydrophobicContact CB-CD1 4.16Å; W74-I78 HydrophobicContact CG-CD1 4.19Å; W74-I78 WeakPolarHBondContact O-CG1 3.44Å; W74-I78 PolarHBondContact O-N 3.45Å; Q75-I78 PolarHBondContact O-N 2.74Å; I78-Y80 PolarHBondContact O-N 3.17Å; I78-I81 PolarHBondContact O-N 3.42Å; I78-I81 VanDerWaalsContact O-N 3.09Å; I78-D82 PolarHBondContact O-N 2.72Å; I78-R129 HydrophobicContact CD1-CB 3.78Å; I78-K133 HydrophobicContact CG2-CD 3.92Å
79D92Very high89.3Confident81 Ų8146.1 Ų46.143%0.43325%0.249SC..Hα-helixtrans-59.2-38.7178.9-69.7-16.1000111.4Q75 S83Q75-D79 PolarHBondContact NE2-OD1 3Å; Q75-D79 WeakPolarHBondContact O-CB 3.24Å; Q75-D79 PolarHBondContact O-N 3.28Å; D79-S83 WeakPolarHBondContact O-CB 3.5Å; D79-S83 PolarHBondContact O-N 2.69Å
80Y93Very high89.6Confident29 Ų2944.4 Ų44.411%0.11424%0.24CC..Hα-helixtrans-62.7-47.2175179.6-84.7000111.9M1 V40 Q42 V59 P76 V77 I78 S83 K84 V105M1-Y80 HydrophobicContact CE-CD1 3.28Å; M1-Y80 HydrophobicContact CE-CE1 3.64Å; M1-Y80 HydrophobicContact CE-CG 4.23Å; V40-Y80 HydrophobicContact CB-CD2 4.37Å; V40-Y80 HydrophobicContact CG1-CD2 3.65Å; V40-Y80 HydrophobicContact CG1-CE2 3.86Å; V40-Y80 HydrophobicContact CG1-CG 4.04Å; Q42-Y80 HydrophobicContact CG-CE2 4.24Å; Q42-Y80 VanDerWaalsContact CG-OH 3.25Å; Q42-Y80 WeakPolarHBondContact CG-OH 3.2Å; Q42-Y80 PolarHBondContact NE2-OH 3.31Å; Q42-Y80 PolarHBondContact OE1-OH 3.25Å; V59-Y80 HydrophobicContact CB-CE1 4.47Å; V59-Y80 HydrophobicContact CG1-CD1 4.36Å; V59-Y80 HydrophobicContact CG1-CE1 3.79Å; V59-Y80 HydrophobicContact CG1-CE2 4.34Å; V59-Y80 HydrophobicContact CG2-CE1 3.98Å; V59-Y80 WeakPolarHBondContact CG2-OH 3.33Å; P76-Y80 VanDerWaalsContact O-CB 3.29Å; P76-Y80 WeakPolarHBondContact O-CB 3.48Å; P76-Y80 PolarHBondContact O-N 3Å; P76-Y80 VanDerWaalsContact O-N 3.14Å; V77-Y80 PolarHBondContact O-N 3.03Å; I78-Y80 PolarHBondContact O-N 3.17Å; Y80-S83 PolarHBondContact O-N 3.1Å; Y80-K84 HydrophobicContact CD1-CG 4.43Å; Y80-K84 HydrophobicContact CE1-CG 3.99Å; Y80-K84 WeakPolarHBondContact O-CG 3.41Å; Y80-K84 PolarHBondContact O-N 2.85Å; Y80-K84 VanDerWaalsContact O-N 3.15Å; Y80-V105 HydrophobicContact CD1-CG2 4.25Å; Y80-V105 HydrophobicContact CE1-CG2 3.83Å
81I93.3Very high89.8Confident1 Ų143.6 Ų43.61%0.00524%0.238CC..Hα-helixtrans-63.7-47.1179.5-66166000110.3M1 V77 I78 S83 K84 F85 V105 L130 K133 V134M1-I81 HydrophobicContact CE-CD1 4.43Å; M1-I81 HydrophobicContact CE-CG1 3.94Å; M1-I81 HydrophobicContact SD-CD1 4.12Å; M1-I81 HydrophobicContact SD-CG1 4.27Å; V77-I81 HydrophobicContact CG1-CD1 4.25Å; V77-I81 WeakPolarHBondContact O-CG1 3.38Å; V77-I81 PolarHBondContact O-N 3.24Å; V77-I81 VanDerWaalsContact O-N 3.1Å; I78-I81 PolarHBondContact O-N 3.42Å; I78-I81 VanDerWaalsContact O-N 3.09Å; I81-S83 VanDerWaalsContact C-N 3.34Å; I81-S83 PolarHBondContact O-N 2.97Å; I81-K84 PolarHBondContact O-N 2.98Å; I81-K84 VanDerWaalsContact O-N 3.1Å; I81-F85 HydrophobicContact CG2-CD2 4Å; I81-F85 HydrophobicContact CG2-CE2 3.55Å; I81-F85 HydrophobicContact CG2-CZ 4.06Å; I81-F85 PolarHBondContact O-N 3.29Å; I81-V105 HydrophobicContact CG1-CB 4.48Å; I81-V105 HydrophobicContact CG1-CG2 4.13Å; I81-L130 HydrophobicContact CD1-CD1 3.42Å; I81-L130 VanDerWaalsContact CD1-CD1 3.42Å; I81-K133 HydrophobicContact CG2-CB 4.17Å; I81-V134 HydrophobicContact CD1-CB 4.39Å; I81-V134 HydrophobicContact CD1-CG1 4.04Å
82D93.3Very high89.9Confident31 Ų3143 Ų4317%0.16623%0.227CC..Hα-helixtrans-63.5-40.1179.3-75.1-17.5000111.6I78 K84 F85 E86 K133 Y256I78-D82 PolarHBondContact O-N 2.72Å; D82-K84 VanDerWaalsContact C-N 3.27Å; D82-K84 PolarHBondContact O-N 3.26Å; D82-F85 PolarHBondContact O-N 3.07Å; D82-E86 WeakPolarHBondContact O-CB 3.38Å; D82-E86 PolarHBondContact O-N 3.19Å; D82-K133 IonicContact OD1-NZ 3.19Å; D82-K133 PolarHBondContact OD1-NZ 2.91Å; D82-K133 IonicContact OD2-NZ 3.66Å; D82-K133 PolarHBondContact OD2-NZ 3.32Å; D82-Y256 HydrophobicContact CB-CE2 4.18Å
83S92.9Very high89.8Confident53 Ų5341.6 Ų41.637%0.37123%0.226SC..Hα-helixtrans-58.3-38.8173170.50000111.9D79 Y80 I81 E86 D87D79-S83 WeakPolarHBondContact O-CB 3.5Å; D79-S83 PolarHBondContact O-N 2.69Å; Y80-S83 PolarHBondContact O-N 3.1Å; I81-S83 VanDerWaalsContact C-N 3.34Å; I81-S83 PolarHBondContact O-N 2.97Å; S83-E86 PolarHBondContact O-N 3.12Å; S83-D87 WeakPolarHBondContact O-CB 3.43Å; S83-D87 PolarHBondContact O-N 3.4Å
84K92.3Very high89.6Confident31 Ų3147.5 Ų47.514%0.13524%0.244CC..Hα-helixtrans-71.5-34.1176.7-62.2-61161-147.10113.2Y80 I81 D82 D87 Y88 N103Y80-K84 HydrophobicContact CD1-CG 4.43Å; Y80-K84 HydrophobicContact CE1-CG 3.99Å; Y80-K84 WeakPolarHBondContact O-CG 3.41Å; Y80-K84 PolarHBondContact O-N 2.85Å; Y80-K84 VanDerWaalsContact O-N 3.15Å; I81-K84 PolarHBondContact O-N 2.98Å; I81-K84 VanDerWaalsContact O-N 3.1Å; D82-K84 VanDerWaalsContact C-N 3.27Å; D82-K84 PolarHBondContact O-N 3.26Å; K84-D87 IonicContact NZ-OD2 2.72Å; K84-D87 PolarHBondContact NZ-OD2 3.1Å; K84-Y88 WeakPolarHBondContact O-CB 3.21Å; K84-Y88 PolarHBondContact O-N 2.94Å; K84-N103 HydrophobicContact CD-CB 4.16Å
85F93.1Very high89.1Confident1 Ų153.7 Ų53.70%0.00428%0.283CS..Hα-helixtrans-68.9-39.2171.3-68.3-34.9000112.2I81 D82 Y88 L89 R104 K133 T248 H252 Y253 Y256I81-F85 HydrophobicContact CG2-CD2 4Å; I81-F85 HydrophobicContact CG2-CE2 3.55Å; I81-F85 HydrophobicContact CG2-CZ 4.06Å; I81-F85 PolarHBondContact O-N 3.29Å; D82-F85 PolarHBondContact O-N 3.07Å; F85-Y88 PolarHBondContact O-N 3.47Å; F85-L89 WeakPolarHBondContact O-CB 3.35Å; F85-L89 PolarHBondContact O-N 3.43Å; F85-R104 HydrophobicContact CD1-CB 4.29Å; F85-R104 HydrophobicContact CD1-CG 3.83Å; F85-R104 HydrophobicContact CE1-CB 4.09Å; F85-R104 HydrophobicContact CE1-CG 4.1Å; F85-K133 WeakPolarHBondContact CE2-O 3.11Å; F85-K133 VanDerWaalsContact CZ-O 3.29Å; F85-K133 WeakPolarHBondContact CZ-O 3.37Å; F85-T248 HydrophobicContact CE1-CG2 4.23Å; F85-H252 HydrophobicContact CZ-CB 4.12Å; F85-Y253 HydrophobicContact CB-CD2 4.37Å; F85-Y253 AromaticContact CD1-CD2 3.89Å; F85-Y253 HydrophobicContact CD1-CD2 3.89Å; F85-Y253 HydrophobicContact CG-CD2 4.36Å; F85-Y256 HydrophobicContact CB-CD1 3.57Å; F85-Y256 HydrophobicContact CB-CD2 4.27Å; F85-Y256 HydrophobicContact CB-CE1 3.74Å; F85-Y256 HydrophobicContact CB-CE2 4.41Å; F85-Y256 HydrophobicContact CB-CG 3.86Å; F85-Y256 HydrophobicContact CD2-CD2 4.08Å; F85-Y256 AromaticContact CD2-CG 4Å; F85-Y256 HydrophobicContact CD2-CG 4Å; F85-Y256 HydrophobicContact CG-CD1 4.38Å; F85-Y256 HydrophobicContact CG-CG 4.25Å
86E91.3Very high88.3Confident46 Ų4656.9 Ų56.922%0.21530%0.302CS..Hα-helixtrans-63.5-46.1175.9-167.370.2-165.200111.7D82 S83 Y88 L89 N90 Y256 K260D82-E86 WeakPolarHBondContact O-CB 3.38Å; D82-E86 PolarHBondContact O-N 3.19Å; S83-E86 PolarHBondContact O-N 3.12Å; E86-Y88 VanDerWaalsContact C-N 3.26Å; E86-Y88 PolarHBondContact O-N 3.1Å; E86-L89 PolarHBondContact O-N 3.21Å; E86-N90 VanDerWaalsContact O-CB 3.29Å; E86-N90 WeakPolarHBondContact O-CB 3.49Å; E86-N90 VanDerWaalsContact O-CG 3.28Å; E86-N90 PolarHBondContact O-N 2.85Å; E86-N90 PolarHBondContact O-ND2 3.28Å; E86-N90 VanDerWaalsContact O-ND2 3.15Å; E86-Y256 PolarHBondContact OE2-OH 3.41Å; E86-K260 VanDerWaalsContact CD-NZ 3.34Å; E86-K260 IonicContact OE1-NZ 3.39Å; E86-K260 PolarHBondContact OE1-NZ 3.09Å; E86-K260 VanDerWaalsContact OE2-CE 3.32Å; E86-K260 WeakPolarHBondContact OE2-CE 3.47Å; E86-K260 IonicContact OE2-NZ 2.98Å; E86-K260 PolarHBondContact OE2-NZ 3.28Å
87D90.4Very high87.6Confident80 Ų8063.4 Ų63.443%0.42832%0.318SS..Hα-helixtrans-55.6-43.6175.5-74.1-20.2000111.1S83 K84 A91S83-D87 WeakPolarHBondContact O-CB 3.43Å; S83-D87 PolarHBondContact O-N 3.4Å; K84-D87 IonicContact NZ-OD2 2.72Å; K84-D87 PolarHBondContact NZ-OD2 3.1Å; D87-A91 WeakPolarHBondContact O-CB 3.22Å; D87-A91 PolarHBondContact O-N 3.5Å
88Y90Very high86.7Confident74 Ų7473.8 Ų73.829%0.2936%0.357SS..Hα-helixtrans-70.4-43.7179.7-169-85.5000112.1K84 F85 E86 N90 A91 E92 R104 Y253K84-Y88 WeakPolarHBondContact O-CB 3.21Å; K84-Y88 PolarHBondContact O-N 2.94Å; F85-Y88 PolarHBondContact O-N 3.47Å; E86-Y88 VanDerWaalsContact C-N 3.26Å; E86-Y88 PolarHBondContact O-N 3.1Å; Y88-N90 VanDerWaalsContact C-N 3.35Å; Y88-N90 PolarHBondContact O-N 3.19Å; Y88-A91 WeakPolarHBondContact O-CB 3.46Å; Y88-A91 PolarHBondContact O-N 2.91Å; Y88-A91 VanDerWaalsContact O-N 3.17Å; Y88-E92 PolarHBondContact O-N 3.45Å; Y88-R104 HydrophobicContact CD2-CG 4.3Å; Y88-R104 HydrophobicContact CG-CG 4.29Å; Y88-Y253 HydrophobicContact CD1-CD2 4.24Å; Y88-Y253 AromaticContact CD1-CE1 3.94Å; Y88-Y253 HydrophobicContact CD1-CE1 3.94Å; Y88-Y253 AromaticContact CD1-CE2 3.56Å; Y88-Y253 HydrophobicContact CD1-CE2 3.56Å; Y88-Y253 AromaticContact CD1-CZ 3.39Å; Y88-Y253 WeakPolarHBondContact CD1-OH 3.32Å; Y88-Y253 HydrophobicContact CE1-CD1 4.46Å; Y88-Y253 AromaticContact CE1-CE1 3.85Å; Y88-Y253 HydrophobicContact CE1-CE1 3.85Å; Y88-Y253 HydrophobicContact CE1-CE2 4.31Å; Y88-Y253 AromaticContact CE1-CZ 3.78Å; Y88-Y253 HydrophobicContact CG-CE2 4.38Å
89L89.6Confident85.4Confident9 Ų982.9 Ų82.95%0.04740%0.399CS..Hα-helixtrans-61.8-43.7176.5-179.862.4000111.5F85 E86 A91 E92 S93 Y253 Y256 R257 K260F85-L89 WeakPolarHBondContact O-CB 3.35Å; F85-L89 PolarHBondContact O-N 3.43Å; E86-L89 PolarHBondContact O-N 3.21Å; L89-A91 VanDerWaalsContact C-N 3.28Å; L89-A91 PolarHBondContact O-N 2.92Å; L89-E92 PolarHBondContact O-N 2.87Å; L89-S93 WeakPolarHBondContact O-CB 3.29Å; L89-S93 PolarHBondContact O-N 3.37Å; L89-S93 PolarHBondContact O-OG 2.73Å; L89-Y253 WeakPolarHBondContact CA-OH 3.33Å; L89-Y253 HydrophobicContact CB-CE2 4.32Å; L89-Y256 HydrophobicContact CD2-CE1 4.41Å; L89-R257 HydrophobicContact CD1-CB 4.46Å; L89-R257 HydrophobicContact CD1-CG 3.82Å; L89-K260 HydrophobicContact CD2-CB 4.09Å; L89-K260 HydrophobicContact CD2-CG 3.91Å
90N87.6Confident84.3Confident77 Ų7783.9 Ų83.941%0.41240%0.403SS..Hα-helixtrans-62.3-36.7175.6-77.5-35.1000111.9E86 Y88 R94E86-N90 VanDerWaalsContact O-CB 3.29Å; E86-N90 WeakPolarHBondContact O-CB 3.49Å; E86-N90 VanDerWaalsContact O-CG 3.28Å; E86-N90 PolarHBondContact O-N 2.85Å; E86-N90 PolarHBondContact O-ND2 3.28Å; E86-N90 VanDerWaalsContact O-ND2 3.15Å; Y88-N90 VanDerWaalsContact C-N 3.35Å; Y88-N90 PolarHBondContact O-N 3.19Å; N90-R94 WeakPolarHBondContact O-CG 3.46Å; N90-R94 PolarHBondContact O-N 3.01Å
91A85.6Confident83.3Confident18 Ų1886.8 Ų86.815%0.14943%0.425CS..Hα-helixtrans-68.3-42.5174.200000112.3D87 Y88 L89 S93 R94 M100D87-A91 WeakPolarHBondContact O-CB 3.22Å; D87-A91 PolarHBondContact O-N 3.5Å; Y88-A91 WeakPolarHBondContact O-CB 3.46Å; Y88-A91 PolarHBondContact O-N 2.91Å; Y88-A91 VanDerWaalsContact O-N 3.17Å; L89-A91 VanDerWaalsContact C-N 3.28Å; L89-A91 PolarHBondContact O-N 2.92Å; A91-S93 VanDerWaalsContact C-N 3.27Å; A91-S93 PolarHBondContact O-N 3.48Å; A91-R94 PolarHBondContact O-N 3.35Å; A91-M100 HydrophobicContact CB-CG 4.39Å; A91-M100 HydrophobicContact CB-SD 3.55Å; A91-M100 VanDerWaalsContact CB-SD 3.55Å
92E83.9Confident82.8Confident61 Ų6189.6 Ų89.629%0.28544%0.44SS..Hα-helixtrans-62.1-36.3177-170.3-168.7142.600111.9Y88 L89 R94 Y253 R257Y88-E92 PolarHBondContact O-N 3.45Å; L89-E92 PolarHBondContact O-N 2.87Å; E92-R94 VanDerWaalsContact C-N 3.32Å; E92-R94 PolarHBondContact O-N 3.29Å; E92-Y253 PolarHBondContact OE2-OH 3.34Å; E92-R257 IonicContact OE1-CZ 3.44Å; E92-R257 IonicContact OE1-NE 3.49Å; E92-R257 PolarHBondContact OE1-NE 3.07Å; E92-R257 VanDerWaalsContact OE1-NE 3.09Å; E92-R257 IonicContact OE1-NH2 3.91Å; E92-R257 PolarHBondContact OE1-NH2 3.21Å; E92-R257 IonicContact OE2-NE 3.09Å
93S81.8Confident82.5Confident83 Ų8390.9 Ų90.958%0.5845%0.447SS*.THydrogen-bonded Turntrans-79.1-11.7-175.9-55.50000113.5L89 A91L89-S93 WeakPolarHBondContact O-CB 3.29Å; L89-S93 PolarHBondContact O-N 3.37Å; L89-S93 PolarHBondContact O-OG 2.73Å; A91-S93 VanDerWaalsContact C-N 3.27Å; A91-S93 PolarHBondContact O-N 3.48Å
94R81.4Confident82.5Confident154 Ų15489 Ų8958%0.58143%0.431SS*.SBendtrans-67.6139.1177.2-76.4167.5-170.1-159.21.5111N90 A91 E92 N96 R97N90-R94 WeakPolarHBondContact O-CG 3.46Å; N90-R94 PolarHBondContact O-N 3.01Å; A91-R94 PolarHBondContact O-N 3.35Å; E92-R94 VanDerWaalsContact C-N 3.32Å; E92-R94 PolarHBondContact O-N 3.29Å; R94-N96 VanDerWaalsContact C-N 3.32Å; R94-N96 PolarHBondContact O-N 2.85Å; R94-R97 WeakPolarHBondContact O-CG 3.49Å
95V76.3Confident82.6Confident143 Ų14387.9 Ų87.987%0.86743%0.427SS*.SBendtrans-59.3-43175.8-179.40000111.3R97V95-R97 PolarHBondContact O-N 3.42Å
96N74.9Confident82.6Confident139 Ų13990.3 Ų90.374%0.74344%0.439SS*.SBendtrans-93.891.5173.7-77-16.5000110.4R94 R98R94-N96 VanDerWaalsContact C-N 3.32Å; R94-N96 PolarHBondContact O-N 2.85Å; N96-R98 PolarHBondContact O-N 3.33Å; N96-R98 VanDerWaalsContact O-N 3.11Å
97R74.3Confident82.6Confident203 Ų20388.8 Ų88.877%0.76643%0.433SS*.  trans-75.394.4178-60179-176.8167.62110.3R94 V95R94-R97 WeakPolarHBondContact O-CG 3.49Å; V95-R97 PolarHBondContact O-N 3.42Å
98R72.2Confident82.8Confident222 Ų22285 Ų8584%0.83841%0.412SS*.  trans-85.3146.2164.2-70.5-174.7179-179.30.2109.2N96 M100N96-R98 PolarHBondContact O-N 3.33Å; N96-R98 VanDerWaalsContact O-N 3.11Å; R98-M100 PolarHBondContact O-N 2.88Å
99Q64.4Low83.1Confident204 Ų20482.2 Ų82.295%0.95340%0.403SS*.  trans-65105.9174.8-158.8173.618.600108.7
100M68Low83.3Confident103 Ų10381.8 Ų81.851%0.50740%0.4SS..  trans-95.2146.6178.6-74.4-158.965.800111A91 R98 D102A91-M100 HydrophobicContact CB-CG 4.39Å; A91-M100 HydrophobicContact CB-SD 3.55Å; A91-M100 VanDerWaalsContact CB-SD 3.55Å; R98-M100 PolarHBondContact O-N 2.88Å; M100-D102 PolarHBondContact O-N 2.82Å
101P73Confident83.7Confident89 Ų8978.2 Ų78.258%0.57838%0.381SS*.  trans-65.7130.4174.326.6-32.6000110.4N103P101-N103 PolarHBondContact O-N 3.44Å; P101-N103 PolarHBondContact O-ND2 3.31Å
102D83.3Confident84.1Confident60 Ų6077.4 Ų77.432%0.32137%0.374SS..  trans-72.4108.3177.3-172.3-0.1000110.3M100 R104M100-D102 PolarHBondContact O-N 2.82Å; D102-R104 VanDerWaalsContact OD1-CB 3.23Å; D102-R104 WeakPolarHBondContact OD1-CB 3.47Å; D102-R104 VanDerWaalsContact OD1-CG 3.25Å; D102-R104 WeakPolarHBondContact OD1-CG 3.24Å; D102-R104 IonicContact OD1-CZ 2.68Å; D102-R104 PolarHBondContact OD1-N 3.27Å; D102-R104 IonicContact OD1-NE 3.59Å; D102-R104 PolarHBondContact OD1-NE 3.25Å; D102-R104 IonicContact OD1-NH2 2.68Å; D102-R104 IonicContact OD2-CZ 2.71Å; D102-R104 IonicContact OD2-NE 3.86Å; D102-R104 PolarHBondContact OD2-NE 3.26Å; D102-R104 IonicContact OD2-NH2 2.7Å; D102-R104 PolarHBondContact OD2-NH2 2.83Å
103N86.8Confident84.5Confident58 Ų5875 Ų7531%0.3137%0.365SS..  trans-103.410.1178.1-60.2-50.9000112.5K84 P101K84-N103 HydrophobicContact CD-CB 4.16Å; P101-N103 PolarHBondContact O-N 3.44Å; P101-N103 PolarHBondContact O-ND2 3.31Å
104R92.8Very high85Confident13 Ų1372.6 Ų72.65%0.04935%0.348CS..SBendtrans-65.6154.6177.1-62.6174.5-65.1176.85.3110F85 Y88 D102 Q106 N249F85-R104 HydrophobicContact CD1-CB 4.29Å; F85-R104 HydrophobicContact CD1-CG 3.83Å; F85-R104 HydrophobicContact CE1-CB 4.09Å; F85-R104 HydrophobicContact CE1-CG 4.1Å; Y88-R104 HydrophobicContact CD2-CG 4.3Å; Y88-R104 HydrophobicContact CG-CG 4.29Å; D102-R104 VanDerWaalsContact OD1-CB 3.23Å; D102-R104 WeakPolarHBondContact OD1-CB 3.47Å; D102-R104 VanDerWaalsContact OD1-CG 3.25Å; D102-R104 WeakPolarHBondContact OD1-CG 3.24Å; D102-R104 IonicContact OD1-CZ 2.68Å; D102-R104 PolarHBondContact OD1-N 3.27Å; D102-R104 IonicContact OD1-NE 3.59Å; D102-R104 PolarHBondContact OD1-NE 3.25Å; D102-R104 IonicContact OD1-NH2 2.68Å; D102-R104 IonicContact OD2-CZ 2.71Å; D102-R104 IonicContact OD2-NE 3.86Å; D102-R104 PolarHBondContact OD2-NE 3.26Å; D102-R104 IonicContact OD2-NH2 2.7Å; D102-R104 PolarHBondContact OD2-NH2 2.83Å; R104-Q106 PolarHBondContact O-N 3.33Å; R104-Q106 PolarHBondContact O-NE2 3.32Å; R104-Q106 PolarHBondContact O-OE1 3.28Å; R104-N249 PolarHBondContact NH1-OD1 3.01Å; R104-N249 PolarHBondContact NH2-OD1 3.19Å
105V93.8Very high85.3Confident8 Ų867.5 Ų67.55%0.04834%0.336CS..  trans-83.9111.5177.8-176.40000108.7M1 Y80 I81 V134M1-V105 HydrophobicContact CB-CG1 3.56Å; M1-V105 HydrophobicContact CE-CG1 4.46Å; M1-V105 HydrophobicContact CE-CG2 3.85Å; M1-V105 HydrophobicContact SD-CG1 4.32Å; Y80-V105 HydrophobicContact CD1-CG2 4.25Å; Y80-V105 HydrophobicContact CE1-CG2 3.83Å; I81-V105 HydrophobicContact CG1-CB 4.48Å; I81-V105 HydrophobicContact CG1-CG2 4.13Å; V105-V134 HydrophobicContact CB-CG2 4.39Å; V105-V134 HydrophobicContact CG1-CG2 3.84Å
106Q92.4Very high85.5Confident53 Ų5362.4 Ų62.425%0.24831%0.312CS..  trans-78.3-32.2-178.5-61.77718.300113.1R104 N135 K245 T248R104-Q106 PolarHBondContact O-N 3.33Å; R104-Q106 PolarHBondContact O-NE2 3.32Å; R104-Q106 PolarHBondContact O-OE1 3.28Å; Q106-N135 PolarHBondContact O-ND2 3.49Å; Q106-K245 HydrophobicContact CG-CG 3.68Å; Q106-T248 WeakPolarHBondContact CA-OG1 3.37Å; Q106-T248 PolarHBondContact O-OG1 3.01Å; Q106-T248 VanDerWaalsContact O-OG1 3.12Å
107C93Very high86Confident13 Ų1363.4 Ų63.49%0.08831%0.312CS..  trans-151.3140.8-175.11780000111.2M1 I137 L244M1-C107 PolarHBondContact N-O 3.33Å; C107-I137 WeakPolarHBondContact SG-CD1 3.13Å; C107-L244 HydrophobicContact CB-CD1 4.15Å; C107-L244 HydrophobicContact CB-CD2 4.19Å
108C94.7Very high86.7Confident0 Ų054.1 Ų54.10%028%0.28CS..EExtended strand (participates in β ladder)trans-112.7116.5170.7-175.70000110.6M1 V3 Y110 L130 V134 N135 I137M1-C108 WeakPolarHBondContact O-CA 3.45Å; V3-C108 WeakPolarHBondContact CG2-SG 3.46Å; C108-Y110 PolarHBondContact O-N 3.27Å; C108-L130 HydrophobicContact CB-CD2 4.23Å; C108-V134 HydrophobicContact CB-CG1 3.72Å; C108-V134 HydrophobicContact CB-CG2 3.94Å; C108-N135 PolarHBondContact N-O 3.43Å; C108-I137 PolarHBondContact O-N 3.47Å
109L94.8Very high87.7Confident16 Ų1644.1 Ų44.18%0.08424%0.243CC..EExtended strand (participates in β ladder)trans-83.3111.1169.8-57.6-174.8000108.6M1 V2 V3 F111 I137 L139 L232 L236M1-L109 PolarHBondContact O-N 2.88Å; V2-L109 HydrophobicContact CG1-CB 4.27Å; V2-L109 HydrophobicContact CG1-CD1 4.27Å; V3-L109 PolarHBondContact N-O 3.2Å; L109-F111 HydrophobicContact CB-CE2 4.14Å; L109-I137 HydrophobicContact CD2-CB 3.96Å; L109-I137 HydrophobicContact CD2-CD1 4.1Å; L109-I137 HydrophobicContact CD2-CG1 4.5Å; L109-I137 HydrophobicContact CD2-CG2 4.34Å; L109-L139 HydrophobicContact CB-CD1 3.84Å; L109-L139 HydrophobicContact CD1-CD1 4.21Å; L109-L139 HydrophobicContact CD2-CD1 4.25Å; L109-L139 HydrophobicContact CG-CD1 4.32Å; L109-L232 HydrophobicContact CD2-CD1 4.08Å; L109-L236 HydrophobicContact CD1-CD1 3.99Å; L109-L236 HydrophobicContact CD2-CD1 4.09Å; L109-L236 HydrophobicContact CD2-CD2 4.26Å
110Y95.2Very high89Confident0 Ų038 Ų380%021%0.213CC..EExtended strand (participates in β ladder)trans-99112.8-177.4-165.7-83.9000110.5V3 F64 C108 I112 D123 F126 M127 L130 I137 L139V3-Y110 HydrophobicContact CB-CD2 4.3Å; V3-Y110 HydrophobicContact CG1-CD2 3.93Å; V3-Y110 HydrophobicContact CG1-CE2 3.87Å; V3-Y110 CarbonylContact O-C 3.55Å; V3-Y110 WeakPolarHBondContact O-CA 3.42Å; F64-Y110 HydrophobicContact CZ-CE2 4.42Å; F64-Y110 AromaticContact CZ-CZ 3.97Å; F64-Y110 VanDerWaalsContact CZ-OH 3.23Å; F64-Y110 WeakPolarHBondContact CZ-OH 3.36Å; C108-Y110 PolarHBondContact O-N 3.27Å; Y110-I112 HydrophobicContact CD1-CG1 3.91Å; Y110-I112 HydrophobicContact CE1-CG1 4.2Å; Y110-D123 HydrophobicContact CE1-CB 4.02Å; Y110-D123 VanDerWaalsContact OH-CA 3.24Å; Y110-D123 WeakPolarHBondContact OH-CA 3.42Å; Y110-D123 WeakPolarHBondContact OH-CB 3.28Å; Y110-D123 PolarHBondContact OH-OD1 3.49Å; Y110-F126 HydrophobicContact CE2-CB 4.2Å; Y110-F126 AromaticContact CE2-CD1 3.78Å; Y110-F126 HydrophobicContact CE2-CD1 3.78Å; Y110-F126 HydrophobicContact CE2-CE1 4.44Å; Y110-F126 HydrophobicContact CE2-CG 4.04Å; Y110-M127 HydrophobicContact CD1-CG 4.05Å; Y110-M127 HydrophobicContact CD1-SD 3.91Å; Y110-M127 HydrophobicContact CD2-CG 3.99Å; Y110-M127 HydrophobicContact CE1-CG 3.94Å; Y110-M127 HydrophobicContact CE1-SD 3.95Å; Y110-M127 HydrophobicContact CE2-CG 3.84Å; Y110-M127 HydrophobicContact CG-CG 4.09Å; Y110-M127 HydrophobicContact CG-SD 4.39Å; Y110-L130 HydrophobicContact CD2-CD2 4.48Å; Y110-I137 PolarHBondContact N-O 2.68Å; Y110-L139 PolarHBondContact O-N 2.83Å
111F94.9Very high90.1Very high2 Ų238.3 Ų38.31%0.00922%0.222CC..EExtended strand (participates in β ladder)trans-88.1117.1-177.9-71-115.5000110V2 V3 L8 K10 L13 L109 L139 A141V2-F111 HydrophobicContact CB-CE2 3.89Å; V2-F111 HydrophobicContact CG1-CE2 3.95Å; V2-F111 HydrophobicContact CG1-CZ 4.49Å; V3-F111 WeakPolarHBondContact O-CD2 3.26Å; V3-F111 PolarHBondContact O-N 3.31Å; L8-F111 HydrophobicContact CB-CB 4.26Å; L8-F111 HydrophobicContact CB-CD1 4.44Å; L8-F111 HydrophobicContact CD1-CB 3.78Å; L8-F111 WeakPolarHBondContact CD1-O 3.34Å; K10-F111 HydrophobicContact CB-CE2 4.46Å; K10-F111 HydrophobicContact CB-CZ 4.34Å; K10-F111 HydrophobicContact CG-CD1 4.26Å; K10-F111 HydrophobicContact CG-CD2 4Å; K10-F111 HydrophobicContact CG-CE1 4.35Å; K10-F111 HydrophobicContact CG-CE2 4.11Å; K10-F111 HydrophobicContact CG-CG 4.08Å; K10-F111 HydrophobicContact CG-CZ 4.26Å; L13-F111 HydrophobicContact CB-CE1 4Å; L13-F111 HydrophobicContact CB-CZ 3.88Å; L13-F111 HydrophobicContact CD2-CE1 3.63Å; L13-F111 HydrophobicContact CD2-CE2 4.33Å; L13-F111 HydrophobicContact CD2-CZ 3.31Å; L13-F111 HydrophobicContact CG-CE1 4.42Å; L13-F111 HydrophobicContact CG-CZ 4.21Å; L109-F111 HydrophobicContact CB-CE2 4.14Å; F111-L139 WeakPolarHBondContact CA-O 3.35Å; F111-L139 HydrophobicContact CE2-CD1 4.34Å; F111-L139 HydrophobicContact CZ-CD1 4.45Å; F111-A141 HydrophobicContact CB-CB 4.32Å; F111-A141 HydrophobicContact CD1-CB 3.86Å
112I94.3Very high90.9Very high1 Ų136.2 Ų36.21%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-95.9132.5175.1-57.5165.4000107.9Y110 L119 P138 L139 A141 F154 I158Y110-I112 HydrophobicContact CD1-CG1 3.91Å; Y110-I112 HydrophobicContact CE1-CG1 4.2Å; I112-L119 HydrophobicContact CD1-CD2 3.68Å; I112-L119 HydrophobicContact CG1-CD2 3.99Å; I112-L119 HydrophobicContact CG2-CD2 3.91Å; I112-P138 HydrophobicContact CD1-CB 3.88Å; I112-L139 PolarHBondContact N-O 3.19Å; I112-A141 WeakPolarHBondContact O-CB 3.32Å; I112-A141 PolarHBondContact O-N 3.44Å; I112-F154 HydrophobicContact CG2-CE1 4.42Å; I112-F154 HydrophobicContact CG2-CZ 4.05Å; I112-I158 HydrophobicContact CD1-CD1 4.14Å; I112-I158 HydrophobicContact CD1-CG2 4Å; I112-I158 HydrophobicContact CG2-CD1 4.15Å
113A92.7Very high91.4Very high11 Ų1133.5 Ų33.59%0.09119%0.192CC..PPolyproline II helixtrans-65.9138.8175.800000110.9L8 S115 F154L8-A113 HydrophobicContact CD1-CB 4.4Å; L8-A113 HydrophobicContact CD2-CB 3.88Å; A113-S115 PolarHBondContact O-N 3.01Å; A113-F154 WeakPolarHBondContact O-CZ 3.44Å
114P91.2Very high91.7Very high33 Ų3331.6 Ų31.621%0.21418%0.181CC..  trans-76.373.717833.1-35.7000110.3I140 A141 K142 T145 L146P114-I140 HydrophobicContact CB-CG2 4.33Å; P114-A141 WeakPolarHBondContact CB-O 3.44Å; P114-A141 WeakPolarHBondContact CD-O 3.35Å; P114-A141 VanDerWaalsContact CG-O 3.29Å; P114-A141 WeakPolarHBondContact CG-O 3.43Å; P114-K142 HydrophobicContact CG-CB 4.33Å; P114-T145 WeakPolarHBondContact CB-OG1 3.3Å; P114-T145 VanDerWaalsContact CG-OG1 3.31Å; P114-T145 WeakPolarHBondContact CG-OG1 3.45Å; P114-L146 HydrophobicContact CB-CD1 3.88Å; P114-L146 HydrophobicContact CB-CD2 4.38Å; P114-L146 HydrophobicContact CB-CG 4.02Å
115S87.7Confident91.6Very high47 Ų4734.1 Ų34.133%0.32919%0.194SC..  trans-83.5-19.6-179.371.80000113.2A113 H117 G118A113-S115 PolarHBondContact O-N 3.01Å; S115-H117 PolarHBondContact O-N 3.48Å; S115-H117 PolarHBondContact O-ND1 3.37Å; S115-H117 PolarHBondContact OG-N 3.4Å; S115-G118 PolarHBondContact OG-O 3.1Å
116G82.1Confident91.6Very high36 Ų3633.8 Ų33.837%0.37119%0.192SC..SBendtrans73.6-6.5-17500000115.1
117H85.6Confident91.6Very high159 Ų15931.3 Ų31.374%0.73618%0.18SC*.SBendtrans-100.6-79.2-177.7-6475.4000110.5S115 Q157S115-H117 PolarHBondContact O-N 3.48Å; S115-H117 PolarHBondContact O-ND1 3.37Å; S115-H117 PolarHBondContact OG-N 3.4Å; H117-Q157 WeakPolarHBondContact O-CG 3.48Å
118G88.9Confident91.6Very high9 Ų934.1 Ų34.19%0.09319%0.191CC..  trans-160.6-164.8-178.800000111.8S115S115-G118 PolarHBondContact OG-O 3.1Å
119L92.3Very high91.5Very high12 Ų1238.9 Ų38.96%0.06321%0.209CC..  trans-72.7138.7173.2-65.9173.5000110.2I112 I124 I158 E161 I162I112-L119 HydrophobicContact CD1-CD2 3.68Å; I112-L119 HydrophobicContact CG1-CD2 3.99Å; I112-L119 HydrophobicContact CG2-CD2 3.91Å; L119-I124 HydrophobicContact CB-CD1 4.14Å; L119-I124 HydrophobicContact CB-CG1 3.78Å; L119-I124 HydrophobicContact CD1-CG1 4.19Å; L119-I158 HydrophobicContact CD1-CG2 4.33Å; L119-I158 HydrophobicContact CD2-CG1 4.17Å; L119-I158 HydrophobicContact CD2-CG2 4Å; L119-I158 HydrophobicContact CG-CG1 4.3Å; L119-I158 HydrophobicContact CG-CG2 4.18Å; L119-E161 WeakPolarHBondContact CA-OE2 3.35Å; L119-E161 WeakPolarHBondContact CB-OE2 3.47Å; L119-E161 HydrophobicContact CD1-CB 4.15Å; L119-E161 PolarHBondContact N-OE2 2.96Å; L119-I162 HydrophobicContact CD1-CG1 3.84Å
120K91.7Very high91.4Very high75 Ų7538.1 Ų38.133%0.32621%0.205SC..  trans-68.4147.3171.6-63.7178.8175.7179.20108.8E5 L122 D123 I124E5-K120 VanDerWaalsContact CD-NZ 3.3Å; E5-K120 IonicContact OE1-NZ 3.73Å; E5-K120 PolarHBondContact OE1-NZ 3.44Å; E5-K120 VanDerWaalsContact OE1-NZ 3.15Å; E5-K120 IonicContact OE2-NZ 2.77Å; E5-K120 PolarHBondContact OE2-NZ 3.07Å; K120-L122 PolarHBondContact O-N 3.18Å; K120-L122 VanDerWaalsContact O-N 3.12Å; K120-D123 HydrophobicContact CB-CB 4.49Å; K120-D123 WeakPolarHBondContact CB-OD2 3.25Å; K120-D123 WeakPolarHBondContact O-CA 3.41Å; K120-D123 WeakPolarHBondContact O-CB 3.46Å; K120-D123 PolarHBondContact O-N 2.77Å; K120-I124 PolarHBondContact O-N 3.18Å
121P90.9Very high91.3Very high109 Ų10939.3 Ų39.371%0.70821%0.21SC*.Hα-helixtrans-54-34.5173.6-27.635.1000113.2I124 E125P121-I124 PolarHBondContact O-N 3.24Å; P121-E125 PolarHBondContact O-N 3.11Å; P121-E125 VanDerWaalsContact O-N 3.1Å
122L90.5Very high91.1Very high45 Ų4543.9 Ų43.924%0.23623%0.232CC..Hα-helixtrans-61.9-41.9174.1-174.463.3000112.1F64 N70 W74 K120 E125 F126F64-L122 HydrophobicContact CD2-CD2 3.71Å; F64-L122 HydrophobicContact CD2-CG 4.26Å; F64-L122 HydrophobicContact CE2-CD2 4.11Å; F64-L122 HydrophobicContact CE2-CG 4.37Å; N70-L122 HydrophobicContact CB-CD1 4.07Å; N70-L122 HydrophobicContact CB-CD2 4.24Å; W74-L122 HydrophobicContact CZ3-CD1 4.19Å; K120-L122 PolarHBondContact O-N 3.18Å; K120-L122 VanDerWaalsContact O-N 3.12Å; L122-E125 PolarHBondContact O-N 3.38Å; L122-F126 WeakPolarHBondContact O-CB 3.46Å; L122-F126 PolarHBondContact O-N 2.83Å
123D92.8Very high91Very high3 Ų345.4 Ų45.42%0.01624%0.238CC..Hα-helixtrans-68.1-40.3179.1-67.6-45.5000111.8Y110 K120 E125 F126 M127Y110-D123 HydrophobicContact CE1-CB 4.02Å; Y110-D123 VanDerWaalsContact OH-CA 3.24Å; Y110-D123 WeakPolarHBondContact OH-CA 3.42Å; Y110-D123 WeakPolarHBondContact OH-CB 3.28Å; Y110-D123 PolarHBondContact OH-OD1 3.49Å; K120-D123 HydrophobicContact CB-CB 4.49Å; K120-D123 WeakPolarHBondContact CB-OD2 3.25Å; K120-D123 WeakPolarHBondContact O-CA 3.41Å; K120-D123 WeakPolarHBondContact O-CB 3.46Å; K120-D123 PolarHBondContact O-N 2.77Å; D123-E125 PolarHBondContact O-N 3.26Å; D123-F126 PolarHBondContact O-N 3.44Å; D123-M127 WeakPolarHBondContact O-CB 3.44Å; D123-M127 VanDerWaalsContact O-CG 3.29Å; D123-M127 WeakPolarHBondContact O-CG 3.3Å; D123-M127 PolarHBondContact O-N 3.23Å
124I92.9Very high91.1Very high19 Ų1945 Ų4510%0.09723%0.234CC..Hα-helixtrans-58.7-49.4176.5-65.6169.7000110.1L119 K120 P121 K128 H165 I167L119-I124 HydrophobicContact CB-CD1 4.14Å; L119-I124 HydrophobicContact CB-CG1 3.78Å; L119-I124 HydrophobicContact CD1-CG1 4.19Å; K120-I124 PolarHBondContact O-N 3.18Å; P121-I124 PolarHBondContact O-N 3.24Å; I124-K128 HydrophobicContact CG2-CD 4.24Å; I124-K128 WeakPolarHBondContact O-CB 3.45Å; I124-K128 VanDerWaalsContact O-CG 3.26Å; I124-K128 WeakPolarHBondContact O-CG 3.4Å; I124-K128 PolarHBondContact O-N 3.28Å; I124-H165 HydrophobicContact CG2-CB 4.12Å; I124-H165 VanDerWaalsContact CG2-CD2 3.44Å; I124-H165 WeakPolarHBondContact CG2-CD2 3.38Å; I124-I167 HydrophobicContact CG2-CD1 4.28Å
125E91.4Very high91.2Very high66 Ų6643.7 Ų43.731%0.30823%0.226SC..Hα-helixtrans-65.6-39.4179.6-173.860.2-161.800111.9W74 P121 L122 D123 K128 R129W74-E125 HydrophobicContact CH2-CG 3.79Å; W74-E125 HydrophobicContact CZ2-CG 4.47Å; W74-E125 HydrophobicContact CZ3-CB 4.41Å; W74-E125 HydrophobicContact CZ3-CG 3.84Å; P121-E125 PolarHBondContact O-N 3.11Å; P121-E125 VanDerWaalsContact O-N 3.1Å; L122-E125 PolarHBondContact O-N 3.38Å; D123-E125 PolarHBondContact O-N 3.26Å; E125-K128 PolarHBondContact O-N 2.82Å; E125-R129 WeakPolarHBondContact O-CG 3.49Å; E125-R129 PolarHBondContact O-N 3.28Å; E125-R129 IonicContact OE1-CZ 3.39Å; E125-R129 VanDerWaalsContact OE1-CZ 3.25Å; E125-R129 IonicContact OE1-NE 2.75Å; E125-R129 PolarHBondContact OE1-NE 2.92Å; E125-R129 IonicContact OE1-NH2 3.15Å; E125-R129 PolarHBondContact OE1-NH2 2.99Å
126F92.6Very high91.6Very high1 Ų141.5 Ų41.50%0.00421%0.21CC..Hα-helixtrans-63-50.8176.9-156.1-59.3000111.2V3 F64 W74 V77 Y110 L122 D123 K128 R129 L130V3-F126 HydrophobicContact CG1-CD1 4.23Å; V3-F126 HydrophobicContact CG1-CE1 3.55Å; V3-F126 HydrophobicContact CG1-CE2 4.3Å; V3-F126 HydrophobicContact CG1-CZ 3.59Å; F64-F126 AromaticContact CD1-CD2 3.95Å; F64-F126 HydrophobicContact CD1-CD2 3.95Å; F64-F126 AromaticContact CD1-CE2 3.55Å; F64-F126 HydrophobicContact CD1-CE2 3.55Å; F64-F126 HydrophobicContact CD1-CZ 4.34Å; F64-F126 AromaticContact CE1-CD2 3.87Å; F64-F126 HydrophobicContact CE1-CD2 3.87Å; F64-F126 AromaticContact CE1-CE2 3.77Å; F64-F126 HydrophobicContact CE1-CE2 3.77Å; F64-F126 HydrophobicContact CE1-CZ 4.38Å; F64-F126 HydrophobicContact CG-CD2 4.32Å; F64-F126 HydrophobicContact CG-CE2 4.16Å; F64-F126 HydrophobicContact CZ-CD2 4.22Å; W74-F126 VanDerWaalsContact CA-CE2 3.48Å; W74-F126 HydrophobicContact CB-CD1 4.27Å; W74-F126 HydrophobicContact CB-CD2 3.79Å; W74-F126 HydrophobicContact CB-CE1 4.08Å; W74-F126 HydrophobicContact CB-CE2 3.6Å; W74-F126 HydrophobicContact CB-CG 4.11Å; W74-F126 HydrophobicContact CB-CZ 3.74Å; W74-F126 HydrophobicContact CE3-CD2 4.37Å; V77-F126 HydrophobicContact CB-CZ 4.13Å; V77-F126 HydrophobicContact CG1-CE1 4.47Å; V77-F126 HydrophobicContact CG1-CZ 4.43Å; V77-F126 HydrophobicContact CG2-CZ 4.01Å; Y110-F126 HydrophobicContact CE2-CB 4.2Å; Y110-F126 AromaticContact CE2-CD1 3.78Å; Y110-F126 HydrophobicContact CE2-CD1 3.78Å; Y110-F126 HydrophobicContact CE2-CE1 4.44Å; Y110-F126 HydrophobicContact CE2-CG 4.04Å; L122-F126 WeakPolarHBondContact O-CB 3.46Å; L122-F126 PolarHBondContact O-N 2.83Å; D123-F126 PolarHBondContact O-N 3.44Å; F126-K128 VanDerWaalsContact C-N 3.31Å; F126-K128 PolarHBondContact O-N 2.84Å; F126-R129 PolarHBondContact O-N 3.38Å; F126-L130 HydrophobicContact CD1-CB 4.45Å; F126-L130 HydrophobicContact CD1-CD2 4.32Å; F126-L130 HydrophobicContact CE1-CD2 4.14Å; F126-L130 WeakPolarHBondContact O-CB 3.19Å; F126-L130 PolarHBondContact O-N 2.97Å; F126-L130 VanDerWaalsContact O-N 3.08Å
127M93.6Very high92.1Very high0 Ų039.9 Ų39.90%019%0.193CC..Hα-helixtrans-64.3-35.7-179.9-69.6177.475.200111.9Y110 D123 R129 L130 H131 I136 P138 I162 I167 I169Y110-M127 HydrophobicContact CD1-CG 4.05Å; Y110-M127 HydrophobicContact CD1-SD 3.91Å; Y110-M127 HydrophobicContact CD2-CG 3.99Å; Y110-M127 HydrophobicContact CE1-CG 3.94Å; Y110-M127 HydrophobicContact CE1-SD 3.95Å; Y110-M127 HydrophobicContact CE2-CG 3.84Å; Y110-M127 HydrophobicContact CG-CG 4.09Å; Y110-M127 HydrophobicContact CG-SD 4.39Å; D123-M127 WeakPolarHBondContact O-CB 3.44Å; D123-M127 VanDerWaalsContact O-CG 3.29Å; D123-M127 WeakPolarHBondContact O-CG 3.3Å; D123-M127 PolarHBondContact O-N 3.23Å; M127-R129 VanDerWaalsContact C-N 3.34Å; M127-R129 PolarHBondContact O-N 3.05Å; M127-L130 PolarHBondContact O-N 3.48Å; M127-H131 WeakPolarHBondContact O-CB 3.05Å; M127-H131 PolarHBondContact O-CD2 3.32Å; M127-H131 VanDerWaalsContact O-CD2 3.31Å; M127-H131 PolarHBondContact O-N 2.86Å; M127-I136 HydrophobicContact CB-CD1 4.43Å; M127-I136 HydrophobicContact CE-CG2 4.02Å; M127-P138 HydrophobicContact CE-CB 4.44Å; M127-I162 HydrophobicContact CE-CD1 4.16Å; M127-I162 HydrophobicContact CE-CG1 4.41Å; M127-I167 HydrophobicContact CB-CD1 4.04Å; M127-I167 HydrophobicContact CB-CG2 3.94Å; M127-I167 HydrophobicContact CE-CG2 4.11Å; M127-I169 HydrophobicContact CE-CG2 4.18Å
128K93.5Very high92.6Very high73 Ų7332.4 Ų32.432%0.31716%0.159SC..Hα-helixtrans-56.7-44.4172.9-83.4179.6179.7-178.80112.9I124 E125 F126 L130 H131 I167I124-K128 HydrophobicContact CG2-CD 4.24Å; I124-K128 WeakPolarHBondContact O-CB 3.45Å; I124-K128 VanDerWaalsContact O-CG 3.26Å; I124-K128 WeakPolarHBondContact O-CG 3.4Å; I124-K128 PolarHBondContact O-N 3.28Å; E125-K128 PolarHBondContact O-N 2.82Å; F126-K128 VanDerWaalsContact C-N 3.31Å; F126-K128 PolarHBondContact O-N 2.84Å; K128-L130 VanDerWaalsContact C-N 3.35Å; K128-H131 WeakPolarHBondContact CA-CD2 3.37Å; K128-H131 PolarHBondContact O-CD2 3.15Å; K128-H131 PolarHBondContact O-NE2 2.79Å; K128-H131 VanDerWaalsContact O-NE2 3.07Å; K128-I167 HydrophobicContact CG-CD1 4.2Å; K128-I167 HydrophobicContact CG-CG1 3.81Å
129R91.5Very high92.8Very high99 Ų9932 Ų3237%0.37415%0.154SC..Hα-helixtrans-75.7-28.3-179.9-64.5179.8-174.7-142.65.2112.7W74 I78 E125 F126 M127W74-R129 VanDerWaalsContact CZ2-NH1 3.28Å; I78-R129 HydrophobicContact CD1-CB 3.78Å; E125-R129 WeakPolarHBondContact O-CG 3.49Å; E125-R129 PolarHBondContact O-N 3.28Å; E125-R129 IonicContact OE1-CZ 3.39Å; E125-R129 VanDerWaalsContact OE1-CZ 3.25Å; E125-R129 IonicContact OE1-NE 2.75Å; E125-R129 PolarHBondContact OE1-NE 2.92Å; E125-R129 IonicContact OE1-NH2 3.15Å; E125-R129 PolarHBondContact OE1-NH2 2.99Å; F126-R129 PolarHBondContact O-N 3.38Å; M127-R129 VanDerWaalsContact C-N 3.34Å; M127-R129 PolarHBondContact O-N 3.05Å
130L93Very high92.9Very high1 Ų131.4 Ų31.41%0.00515%0.151CC..Hα-helixtrans-85.9-31.6-173.8-169.665.4000113.1V77 I81 C108 Y110 F126 M127 K128 E132 K133 V134 I136V77-L130 HydrophobicContact CG1-CD1 4.46Å; I81-L130 HydrophobicContact CD1-CD1 3.42Å; I81-L130 VanDerWaalsContact CD1-CD1 3.42Å; C108-L130 HydrophobicContact CB-CD2 4.23Å; Y110-L130 HydrophobicContact CD2-CD2 4.48Å; F126-L130 HydrophobicContact CD1-CB 4.45Å; F126-L130 HydrophobicContact CD1-CD2 4.32Å; F126-L130 HydrophobicContact CE1-CD2 4.14Å; F126-L130 WeakPolarHBondContact O-CB 3.19Å; F126-L130 PolarHBondContact O-N 2.97Å; F126-L130 VanDerWaalsContact O-N 3.08Å; M127-L130 PolarHBondContact O-N 3.48Å; K128-L130 VanDerWaalsContact C-N 3.35Å; L130-E132 PolarHBondContact O-N 2.95Å; L130-E132 VanDerWaalsContact O-N 3.13Å; L130-K133 PolarHBondContact O-N 3.18Å; L130-V134 HydrophobicContact CD1-CG1 3.49Å; L130-V134 VanDerWaalsContact CD1-CG1 3.49Å; L130-V134 HydrophobicContact CD2-CG1 4.13Å; L130-V134 HydrophobicContact CG-CG1 3.49Å; L130-V134 VanDerWaalsContact CG-CG1 3.49Å; L130-V134 PolarHBondContact O-N 2.92Å; L130-I136 HydrophobicContact CB-CD1 3.81Å; L130-I136 HydrophobicContact CD2-CD1 4.02Å; L130-I136 HydrophobicContact CD2-CG1 4.17Å; L130-I136 HydrophobicContact CG-CD1 3.93Å; L130-I136 HydrophobicContact CG-CG1 4.19Å
131H93.3Very high93Very high25 Ų2527.9 Ų27.912%0.11614%0.136CC..THydrogen-bonded Turntrans-64.7-22.6-169.767.659.4000114.8M127 K128 K133 I136 I167 K168 H252M127-H131 WeakPolarHBondContact O-CB 3.05Å; M127-H131 PolarHBondContact O-CD2 3.32Å; M127-H131 VanDerWaalsContact O-CD2 3.31Å; M127-H131 PolarHBondContact O-N 2.86Å; K128-H131 WeakPolarHBondContact CA-CD2 3.37Å; K128-H131 PolarHBondContact O-CD2 3.15Å; K128-H131 PolarHBondContact O-NE2 2.79Å; K128-H131 VanDerWaalsContact O-NE2 3.07Å; H131-K133 VanDerWaalsContact C-N 3.33Å; H131-I136 HydrophobicContact CB-CD1 3.87Å; H131-I167 HydrophobicContact CB-CG2 4.34Å; H131-K168 HydrophobicContact CB-CB 4.29Å; H131-K168 WeakPolarHBondContact CB-O 3.45Å; H131-H252 PolarHBondContact O-CE1 3.39Å
132E90.5Very high93Very high97 Ų9726.6 Ų26.645%0.45312%0.119SC..THydrogen-bonded Turntrans-79.4-19.9176.7-61.8-164.8168.600112.9L130 H252 R259L130-E132 PolarHBondContact O-N 2.95Å; L130-E132 VanDerWaalsContact O-N 3.13Å; E132-H252 PolarHBondContact O-ND1 2.89Å; E132-R259 IonicContact OE2-CZ 3.18Å; E132-R259 IonicContact OE2-NH1 3.57Å; E132-R259 PolarHBondContact OE2-NH1 2.9Å
133K91.5Very high93Very high34 Ų3424.9 Ų24.915%0.14811%0.112CC..THydrogen-bonded Turntrans-106.4-25.4-168.3-66176.6-179.7-86.50113.2I78 I81 D82 F85 L130 H131 H252I78-K133 HydrophobicContact CG2-CD 3.92Å; I81-K133 HydrophobicContact CG2-CB 4.17Å; D82-K133 IonicContact OD1-NZ 3.19Å; D82-K133 PolarHBondContact OD1-NZ 2.91Å; D82-K133 IonicContact OD2-NZ 3.66Å; D82-K133 PolarHBondContact OD2-NZ 3.32Å; F85-K133 WeakPolarHBondContact CE2-O 3.11Å; F85-K133 VanDerWaalsContact CZ-O 3.29Å; F85-K133 WeakPolarHBondContact CZ-O 3.37Å; L130-K133 PolarHBondContact O-N 3.18Å; H131-K133 VanDerWaalsContact C-N 3.33Å; K133-H252 WeakPolarHBondContact O-CB 3.28Å
134V94.6Very high92.9Very high1 Ų126.8 Ų26.81%0.00612%0.122CC..SBendtrans-151.8152.7-176.764.20000111.4I81 V105 C108 L130 I136I81-V134 HydrophobicContact CD1-CB 4.39Å; I81-V134 HydrophobicContact CD1-CG1 4.04Å; V105-V134 HydrophobicContact CB-CG2 4.39Å; V105-V134 HydrophobicContact CG1-CG2 3.84Å; C108-V134 HydrophobicContact CB-CG1 3.72Å; C108-V134 HydrophobicContact CB-CG2 3.94Å; L130-V134 HydrophobicContact CD1-CG1 3.49Å; L130-V134 VanDerWaalsContact CD1-CG1 3.49Å; L130-V134 HydrophobicContact CD2-CG1 4.13Å; L130-V134 HydrophobicContact CG-CG1 3.49Å; L130-V134 VanDerWaalsContact CG-CG1 3.49Å; L130-V134 PolarHBondContact O-N 2.92Å; V134-I136 HydrophobicContact CG1-CG1 4.44Å; V134-I136 PolarHBondContact O-N 3.2Å
135N94.4Very high92.8Very high6 Ų629.8 Ų29.83%0.03214%0.141CC..  trans-64.5113171-64-55.5000110.7Q106 C108 Y170 L244 V247 T248 H252Q106-N135 PolarHBondContact O-ND2 3.49Å; C108-N135 PolarHBondContact N-O 3.43Å; N135-Y170 HydrophobicContact CB-CD2 4.04Å; N135-Y170 HydrophobicContact CB-CG 4.49Å; N135-L244 HydrophobicContact CB-CD2 3.77Å; N135-L244 PolarHBondContact ND2-O 2.72Å; N135-L244 VanDerWaalsContact ND2-O 3.11Å; N135-V247 WeakPolarHBondContact OD1-CG1 3.39Å; N135-T248 PolarHBondContact ND2-OG1 3.13Å; N135-T248 VanDerWaalsContact ND2-OG1 3.09Å; N135-H252 PolarHBondContact N-NE2 3.4Å; N135-H252 PolarHBondContact OD1-NE2 2.88Å
136I94.9Very high92.8Very high1 Ų128 Ų281%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-94.4125.1179.2-58.6179.2000110.2M127 L130 H131 V134 Y170M127-I136 HydrophobicContact CB-CD1 4.43Å; M127-I136 HydrophobicContact CE-CG2 4.02Å; L130-I136 HydrophobicContact CB-CD1 3.81Å; L130-I136 HydrophobicContact CD2-CD1 4.02Å; L130-I136 HydrophobicContact CD2-CG1 4.17Å; L130-I136 HydrophobicContact CG-CD1 3.93Å; L130-I136 HydrophobicContact CG-CG1 4.19Å; H131-I136 HydrophobicContact CB-CD1 3.87Å; V134-I136 HydrophobicContact CG1-CG1 4.44Å; V134-I136 PolarHBondContact O-N 3.2Å; I136-Y170 PolarHBondContact O-N 2.79Å
137I94.3Very high92.7Very high3 Ų330.7 Ų30.72%0.01515%0.151CC..EExtended strand (participates in β ladder)trans-109.8109.8168.1-58.3178.8000108.2C107 C108 L109 Y110 L139 L232 M235 L236C107-I137 WeakPolarHBondContact SG-CD1 3.13Å; C108-I137 PolarHBondContact O-N 3.47Å; L109-I137 HydrophobicContact CD2-CB 3.96Å; L109-I137 HydrophobicContact CD2-CD1 4.1Å; L109-I137 HydrophobicContact CD2-CG1 4.5Å; L109-I137 HydrophobicContact CD2-CG2 4.34Å; Y110-I137 PolarHBondContact N-O 2.68Å; I137-L139 HydrophobicContact CG2-CD2 3.95Å; I137-L232 HydrophobicContact CG2-CD1 4.47Å; I137-M235 HydrophobicContact CD1-CE 3.49Å; I137-M235 VanDerWaalsContact CD1-CE 3.49Å; I137-M235 HydrophobicContact CD1-SD 4.04Å; I137-M235 HydrophobicContact CG1-CE 4.2Å; I137-L236 HydrophobicContact CD1-CD2 3.94Å
138P94.5Very high92.6Very high1 Ų135.6 Ų35.61%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-76128.9178.130.6-33.6000111I112 M127 I162 I169 P192 L193I112-P138 HydrophobicContact CD1-CB 3.88Å; M127-P138 HydrophobicContact CE-CB 4.44Å; P138-I162 HydrophobicContact CG-CD1 4.46Å; P138-I169 HydrophobicContact CG-CD1 4.4Å; P138-I169 HydrophobicContact CG-CG2 4.34Å; P138-P192 HydrophobicContact CB-CB 3.95Å; P138-P192 HydrophobicContact CG-CB 3.99Å; P138-P192 WeakPolarHBondContact O-CB 3.47Å; P138-L193 PolarHBondContact O-N 3.15Å
139L94.3Very high92.5Very high0 Ų037.7 Ų37.70%019%0.193CC..EExtended strand (participates in β ladder)trans-123.4130.3180-57.6-177.4000110.1L13 L109 Y110 F111 I112 I137 A141 L193 V195 L232L13-L139 HydrophobicContact CD2-CD1 3.94Å; L109-L139 HydrophobicContact CB-CD1 3.84Å; L109-L139 HydrophobicContact CD1-CD1 4.21Å; L109-L139 HydrophobicContact CD2-CD1 4.25Å; L109-L139 HydrophobicContact CG-CD1 4.32Å; Y110-L139 PolarHBondContact O-N 2.83Å; F111-L139 WeakPolarHBondContact CA-O 3.35Å; F111-L139 HydrophobicContact CE2-CD1 4.34Å; F111-L139 HydrophobicContact CZ-CD1 4.45Å; I112-L139 PolarHBondContact N-O 3.19Å; I137-L139 HydrophobicContact CG2-CD2 3.95Å; L139-A141 PolarHBondContact O-N 3.27Å; L139-L193 CarbonylContact C-O 3.58Å; L139-L193 WeakPolarHBondContact CA-O 3.4Å; L139-L193 HydrophobicContact CD2-CB 3.77Å; L139-L193 HydrophobicContact CD2-CD1 4.2Å; L139-L193 HydrophobicContact CD2-CG 4.37Å; L139-V195 HydrophobicContact CB-CG2 4.23Å; L139-V195 HydrophobicContact CD1-CG2 4.45Å; L139-V195 HydrophobicContact CD2-CG1 4.39Å; L139-L232 HydrophobicContact CD1-CD2 3.74Å; L139-L232 HydrophobicContact CD2-CD1 3.95Å; L139-L232 HydrophobicContact CD2-CD2 3.97Å
140I94.9Very high92.6Very high0 Ų037.3 Ų37.30%020%0.196CC..EExtended strand (participates in β ladder)trans-81.9115.8167.6-60.8163.6000107.5P114 L146 F154 K155 I158 P192 L193 V195P114-I140 HydrophobicContact CB-CG2 4.33Å; I140-L146 HydrophobicContact CG2-CD1 4.31Å; I140-F154 HydrophobicContact CD1-CD1 3.79Å; I140-F154 HydrophobicContact CD1-CE1 4.21Å; I140-F154 HydrophobicContact CG1-CD1 4.15Å; I140-F154 HydrophobicContact CG1-CE1 4.05Å; I140-F154 HydrophobicContact CG2-CD1 4.25Å; I140-F154 HydrophobicContact CG2-CE1 4.02Å; I140-K155 HydrophobicContact CD1-CG 3.66Å; I140-I158 HydrophobicContact CD1-CD1 4.08Å; I140-I158 HydrophobicContact CG1-CD1 3.95Å; I140-P192 HydrophobicContact CD1-CG 3.89Å; I140-P192 HydrophobicContact CG1-CB 4.37Å; I140-P192 HydrophobicContact CG1-CG 4.12Å; I140-L193 PolarHBondContact N-O 3.46Å; I140-V195 WeakPolarHBondContact O-CG2 3.33Å; I140-V195 PolarHBondContact O-N 3.33Å
141A93Very high92.5Very high1 Ų138 Ų381%0.00820%0.201CC..THydrogen-bonded Turntrans-77.4149.2179.700000111.4L8 F111 I112 P114 L139 A143L8-A141 HydrophobicContact CB-CB 3.82Å; L8-A141 HydrophobicContact CD1-CB 4.3Å; L8-A141 HydrophobicContact CD2-CB 4.19Å; L8-A141 HydrophobicContact CG-CB 4.33Å; F111-A141 HydrophobicContact CB-CB 4.32Å; F111-A141 HydrophobicContact CD1-CB 3.86Å; I112-A141 WeakPolarHBondContact O-CB 3.32Å; I112-A141 PolarHBondContact O-N 3.44Å; P114-A141 WeakPolarHBondContact CB-O 3.44Å; P114-A141 WeakPolarHBondContact CD-O 3.35Å; P114-A141 VanDerWaalsContact CG-O 3.29Å; P114-A141 WeakPolarHBondContact CG-O 3.43Å; L139-A141 PolarHBondContact O-N 3.27Å; A141-A143 VanDerWaalsContact C-N 3.26Å; A141-A143 PolarHBondContact O-N 2.99Å
142K90.6Very high92.4Very high82 Ų8242.5 Ų42.536%0.35722%0.222SC..THydrogen-bonded Turntrans47.750176.9-58.6-179.1-176.8173.30112G7 P114 D144 T145 V195G7-K142 WeakPolarHBondContact O-CE 3.44Å; G7-K142 PolarHBondContact O-NZ 3.48Å; P114-K142 HydrophobicContact CG-CB 4.33Å; K142-D144 WeakPolarHBondContact CA-OD1 3.26Å; K142-D144 PolarHBondContact O-N 3.22Å; K142-T145 HydrophobicContact CB-CG2 4.14Å; K142-T145 WeakPolarHBondContact O-CB 3.32Å; K142-T145 WeakPolarHBondContact O-CG2 3.15Å; K142-T145 PolarHBondContact O-N 3.47Å; K142-T145 PolarHBondContact O-OG1 2.87Å; K142-V195 PolarHBondContact N-O 3.47Å
143A91.5Very high92.5Very high10 Ų1044.4 Ų44.48%0.08323%0.23CC..G310 helixtrans-58.7-19.7-177.200000113.6A141 T145 L146 A194 V195 V196A141-A143 VanDerWaalsContact C-N 3.26Å; A141-A143 PolarHBondContact O-N 2.99Å; A143-T145 PolarHBondContact O-N 3.27Å; A143-T145 VanDerWaalsContact O-N 3.1Å; A143-L146 PolarHBondContact O-N 2.8Å; A143-A194 HydrophobicContact CB-CB 3.68Å; A143-V195 PolarHBondContact N-O 2.86Å; A143-V196 HydrophobicContact CB-CG2 4.12Å
144D90.6Very high92.6Very high43 Ų4342.8 Ų42.823%0.2322%0.223CC..G310 helixtrans-66.6-1.917357.7-36000114.6K142 V196 R212 Y214K142-D144 WeakPolarHBondContact CA-OD1 3.26Å; K142-D144 PolarHBondContact O-N 3.22Å; D144-V196 HydrophobicContact CB-CG1 4.33Å; D144-V196 HydrophobicContact CB-CG2 3.84Å; D144-R212 IonicContact OD1-NH1 3.19Å; D144-R212 PolarHBondContact OD1-NH1 3.05Å; D144-R212 WeakPolarHBondContact OD2-CD 3.49Å; D144-R212 IonicContact OD2-CZ 3.34Å; D144-R212 IonicContact OD2-NE 3.58Å; D144-R212 IonicContact OD2-NH1 2.72Å; D144-R212 PolarHBondContact OD2-NH1 3.45Å; D144-Y214 PolarHBondContact OD2-OH 3.32Å
145T90.5Very high92.6Very high81 Ų8144.3 Ų44.350%0.49723%0.23SC..G310 helixtrans-91.6-10.917358.40000114P114 K142 A143P114-T145 WeakPolarHBondContact CB-OG1 3.3Å; P114-T145 VanDerWaalsContact CG-OG1 3.31Å; P114-T145 WeakPolarHBondContact CG-OG1 3.45Å; K142-T145 HydrophobicContact CB-CG2 4.14Å; K142-T145 WeakPolarHBondContact O-CB 3.32Å; K142-T145 WeakPolarHBondContact O-CG2 3.15Å; K142-T145 PolarHBondContact O-N 3.47Å; K142-T145 PolarHBondContact O-OG1 2.87Å; A143-T145 PolarHBondContact O-N 3.27Å; A143-T145 VanDerWaalsContact O-N 3.1Å
146L90.8Very high92.5Very high28 Ų2850.6 Ų50.615%0.14726%0.257CS..SBendtrans-113.5146.3-177.9-59.9174.2000109.9P114 I140 A143 E150 C151 F154P114-L146 HydrophobicContact CB-CD1 3.88Å; P114-L146 HydrophobicContact CB-CD2 4.38Å; P114-L146 HydrophobicContact CB-CG 4.02Å; I140-L146 HydrophobicContact CG2-CD1 4.31Å; A143-L146 PolarHBondContact O-N 2.8Å; L146-E150 HydrophobicContact CB-CB 4.32Å; L146-C151 HydrophobicContact CB-CB 4.31Å; L146-F154 HydrophobicContact CD1-CD1 3.92Å; L146-F154 HydrophobicContact CD1-CE1 4.49Å
147T91.6Very high92.4Very high59 Ų5953.8 Ų53.836%0.36227%0.272SS..  trans-70.9161.3168.584.10000110.7E149 E150 C151T147-E149 WeakPolarHBondContact CB-OE2 3.48Å; T147-E149 PolarHBondContact O-N 2.96Å; T147-E149 PolarHBondContact OG1-N 2.89Å; T147-E149 PolarHBondContact OG1-OE2 2.9Å; T147-E150 PolarHBondContact N-OE2 2.79Å; T147-E150 PolarHBondContact O-N 3.39Å; T147-E150 PolarHBondContact OG1-N 3.26Å; T147-C151 VanDerWaalsContact O-CB 3.25Å; T147-C151 WeakPolarHBondContact O-CB 3.37Å; T147-C151 PolarHBondContact O-N 2.77Å
148P90.1Very high92.4Very high103 Ų10353.7 Ų53.767%0.66927%0.271SS*.Hα-helixtrans-55.1-37.8176.1-2736.5000113.4Q152P148-Q152 WeakPolarHBondContact O-CB 3.37Å; P148-Q152 PolarHBondContact O-N 3.37Å
149E92.1Very high92.4Very high117 Ų11755.6 Ų55.655%0.54728%0.281SS..Hα-helixtrans-69.2-47.2178.7-5872.7-156.500111.5T147 C151 Q152 Q153T147-E149 WeakPolarHBondContact CB-OE2 3.48Å; T147-E149 PolarHBondContact O-N 2.96Å; T147-E149 PolarHBondContact OG1-N 2.89Å; T147-E149 PolarHBondContact OG1-OE2 2.9Å; E149-C151 VanDerWaalsContact C-N 3.33Å; E149-C151 PolarHBondContact O-N 2.82Å; E149-Q152 PolarHBondContact O-N 2.96Å; E149-Q153 WeakPolarHBondContact O-CG 3.37Å; E149-Q153 PolarHBondContact O-N 3.44Å
150E93Very high92.3Very high91 Ų9160.6 Ų60.643%0.42530%0.303SS..Hα-helixtrans-61.3-43.3176-70.1175.5156.200111L146 T147 Q152 Q153 F154L146-E150 HydrophobicContact CB-CB 4.32Å; T147-E150 PolarHBondContact N-OE2 2.79Å; T147-E150 PolarHBondContact O-N 3.39Å; T147-E150 PolarHBondContact OG1-N 3.26Å; E150-Q152 VanDerWaalsContact C-N 3.33Å; E150-Q152 PolarHBondContact O-N 3.25Å; E150-Q153 PolarHBondContact O-N 2.86Å; E150-F154 WeakPolarHBondContact O-CB 3.13Å; E150-F154 PolarHBondContact O-N 2.8Å
151C91.4Very high92.3Very high16 Ų1661.9 Ų61.911%0.10831%0.308CS..Hα-helixtrans-60.4-43.6176.6-174.90000111.1L146 T147 E149 F154 K155L146-C151 HydrophobicContact CB-CB 4.31Å; T147-C151 VanDerWaalsContact O-CB 3.25Å; T147-C151 WeakPolarHBondContact O-CB 3.37Å; T147-C151 PolarHBondContact O-N 2.77Å; E149-C151 VanDerWaalsContact C-N 3.33Å; E149-C151 PolarHBondContact O-N 2.82Å; C151-F154 PolarHBondContact O-N 3.17Å; C151-K155 WeakPolarHBondContact O-CB 3.42Å; C151-K155 VanDerWaalsContact O-CG 3.26Å; C151-K155 WeakPolarHBondContact O-CG 3.24Å; C151-K155 PolarHBondContact O-N 2.83Å
152Q91.2Very high92.4Very high119 Ų11962 Ų6256%0.55631%0.309SS*.Hα-helixtrans-65.5-41.2178.3-166.6-17725.700112.4P148 E149 E150 K156P148-Q152 WeakPolarHBondContact O-CB 3.37Å; P148-Q152 PolarHBondContact O-N 3.37Å; E149-Q152 PolarHBondContact O-N 2.96Å; E150-Q152 VanDerWaalsContact C-N 3.33Å; E150-Q152 PolarHBondContact O-N 3.25Å; Q152-K156 WeakPolarHBondContact O-CG 3.38Å; Q152-K156 PolarHBondContact O-N 2.71Å
153Q93.1Very high92.5Very high136 Ų13664.8 Ų64.864%0.63632%0.323SS*.Hα-helixtrans-65-44.9175.4-69.6177.27.900111.2E149 E150 K155 K156 Q157E149-Q153 WeakPolarHBondContact O-CG 3.37Å; E149-Q153 PolarHBondContact O-N 3.44Å; E150-Q153 PolarHBondContact O-N 2.86Å; Q153-K155 PolarHBondContact O-N 3.23Å; Q153-K156 PolarHBondContact O-N 2.87Å; Q153-Q157 PolarHBondContact O-N 3.37Å
154F94.2Very high92.7Very high1 Ų169.8 Ų69.80%0.00435%0.345CS..Hα-helixtrans-63.3-41.9179.6-172.4-132.3000112.1I112 A113 I140 L146 E150 C151 K156 Q157 I158I112-F154 HydrophobicContact CG2-CE1 4.42Å; I112-F154 HydrophobicContact CG2-CZ 4.05Å; A113-F154 WeakPolarHBondContact O-CZ 3.44Å; I140-F154 HydrophobicContact CD1-CD1 3.79Å; I140-F154 HydrophobicContact CD1-CE1 4.21Å; I140-F154 HydrophobicContact CG1-CD1 4.15Å; I140-F154 HydrophobicContact CG1-CE1 4.05Å; I140-F154 HydrophobicContact CG2-CD1 4.25Å; I140-F154 HydrophobicContact CG2-CE1 4.02Å; L146-F154 HydrophobicContact CD1-CD1 3.92Å; L146-F154 HydrophobicContact CD1-CE1 4.49Å; E150-F154 WeakPolarHBondContact O-CB 3.13Å; E150-F154 PolarHBondContact O-N 2.8Å; C151-F154 PolarHBondContact O-N 3.17Å; F154-K156 PolarHBondContact O-N 3.39Å; F154-Q157 PolarHBondContact O-N 3.03Å; F154-I158 HydrophobicContact CD1-CD1 3.75Å; F154-I158 HydrophobicContact CD2-CD1 4.12Å; F154-I158 HydrophobicContact CD2-CG1 4.26Å; F154-I158 HydrophobicContact CE1-CD1 3.51Å; F154-I158 HydrophobicContact CE2-CD1 3.89Å; F154-I158 HydrophobicContact CE2-CG1 4.03Å; F154-I158 HydrophobicContact CG-CD1 4.05Å; F154-I158 HydrophobicContact CZ-CD1 3.59Å; F154-I158 HydrophobicContact CZ-CG1 4.17Å; F154-I158 WeakPolarHBondContact O-CG1 3.24Å; F154-I158 PolarHBondContact O-N 3.25Å
155K93Very high92.8Very high32 Ų3270.9 Ų70.914%0.13935%0.349CS..Hα-helixtrans-56.6-47173-76.7-177-179-155.10112I140 C151 Q153 Q157 I158 M159 R190 P192 D228I140-K155 HydrophobicContact CD1-CG 3.66Å; C151-K155 WeakPolarHBondContact O-CB 3.42Å; C151-K155 VanDerWaalsContact O-CG 3.26Å; C151-K155 WeakPolarHBondContact O-CG 3.24Å; C151-K155 PolarHBondContact O-N 2.83Å; Q153-K155 PolarHBondContact O-N 3.23Å; K155-Q157 VanDerWaalsContact C-N 3.35Å; K155-Q157 PolarHBondContact O-N 3.42Å; K155-I158 PolarHBondContact O-N 3.16Å; K155-M159 WeakPolarHBondContact O-CG 3.4Å; K155-M159 PolarHBondContact O-N 3.4Å; K155-R190 PolarHBondContact NZ-O 3.41Å; K155-P192 HydrophobicContact CB-CG 4.4Å; K155-P192 WeakPolarHBondContact CE-O 3.44Å; K155-P192 HydrophobicContact CG-CG 4.08Å; K155-P192 PolarHBondContact NZ-O 3.15Å; K155-D228 IonicContact NZ-OD2 3.93Å; K155-D228 PolarHBondContact NZ-OD2 3.03Å
156K92.7Very high93Very high138 Ų13875.4 Ų75.460%0.636%0.361SS*.Hα-helixtrans-62-43.3178.1-72.4176-178.7176.20111.7Q152 Q153 F154 M159 K160Q152-K156 WeakPolarHBondContact O-CG 3.38Å; Q152-K156 PolarHBondContact O-N 2.71Å; Q153-K156 PolarHBondContact O-N 2.87Å; F154-K156 PolarHBondContact O-N 3.39Å; K156-M159 PolarHBondContact O-N 2.81Å; K156-K160 WeakPolarHBondContact O-CB 3.38Å; K156-K160 PolarHBondContact O-N 2.92Å
157Q93.9Very high93.2Very high69 Ų6974.5 Ų74.532%0.32236%0.357SS..Hα-helixtrans-66.8-43.9-179.5-173.258.125.200111.9H117 Q153 F154 K155 M159 K160 E161H117-Q157 WeakPolarHBondContact O-CG 3.48Å; Q153-Q157 PolarHBondContact O-N 3.37Å; F154-Q157 PolarHBondContact O-N 3.03Å; K155-Q157 VanDerWaalsContact C-N 3.35Å; K155-Q157 PolarHBondContact O-N 3.42Å; Q157-M159 PolarHBondContact O-N 3.12Å; Q157-K160 PolarHBondContact O-N 3.36Å; Q157-E161 PolarHBondContact NE2-OE1 3.14Å; Q157-E161 WeakPolarHBondContact O-CG 3.49Å; Q157-E161 PolarHBondContact O-N 3.09Å
158I94.3Very high93.1Very high0 Ų078.9 Ų78.90%037%0.37CS..Hα-helixtrans-58.3-48.3174-70.1164.1000110.9I112 L119 I140 F154 K155 K160 E161 I162 P192I112-I158 HydrophobicContact CD1-CD1 4.14Å; I112-I158 HydrophobicContact CD1-CG2 4Å; I112-I158 HydrophobicContact CG2-CD1 4.15Å; L119-I158 HydrophobicContact CD1-CG2 4.33Å; L119-I158 HydrophobicContact CD2-CG1 4.17Å; L119-I158 HydrophobicContact CD2-CG2 4Å; L119-I158 HydrophobicContact CG-CG1 4.3Å; L119-I158 HydrophobicContact CG-CG2 4.18Å; I140-I158 HydrophobicContact CD1-CD1 4.08Å; I140-I158 HydrophobicContact CG1-CD1 3.95Å; F154-I158 HydrophobicContact CD1-CD1 3.75Å; F154-I158 HydrophobicContact CD2-CD1 4.12Å; F154-I158 HydrophobicContact CD2-CG1 4.26Å; F154-I158 HydrophobicContact CE1-CD1 3.51Å; F154-I158 HydrophobicContact CE2-CD1 3.89Å; F154-I158 HydrophobicContact CE2-CG1 4.03Å; F154-I158 HydrophobicContact CG-CD1 4.05Å; F154-I158 HydrophobicContact CZ-CD1 3.59Å; F154-I158 HydrophobicContact CZ-CG1 4.17Å; F154-I158 WeakPolarHBondContact O-CG1 3.24Å; F154-I158 PolarHBondContact O-N 3.25Å; K155-I158 PolarHBondContact O-N 3.16Å; I158-K160 VanDerWaalsContact C-N 3.31Å; I158-K160 PolarHBondContact O-N 2.78Å; I158-E161 PolarHBondContact O-N 3.42Å; I158-I162 HydrophobicContact CG2-CD1 3.63Å; I158-I162 HydrophobicContact CG2-CG1 4.23Å; I158-I162 VanDerWaalsContact O-CG1 3.29Å; I158-I162 WeakPolarHBondContact O-CG1 3.4Å; I158-I162 PolarHBondContact O-N 3.39Å; I158-P192 HydrophobicContact CB-CG 4.13Å; I158-P192 HydrophobicContact CD1-CG 3.95Å; I158-P192 HydrophobicContact CG2-CG 3.92Å
159M93Very high93.3Very high42 Ų4275.2 Ų75.221%0.20735%0.345CS..Hα-helixtrans-63.3-38.3-179-71.4-58.4-68.600112.3K155 K156 Q157 I162 Q163 I169 L191K155-M159 WeakPolarHBondContact O-CG 3.4Å; K155-M159 PolarHBondContact O-N 3.4Å; K156-M159 PolarHBondContact O-N 2.81Å; Q157-M159 PolarHBondContact O-N 3.12Å; M159-I162 HydrophobicContact SD-CD1 4.35Å; M159-Q163 VanDerWaalsContact O-CG 3.31Å; M159-Q163 WeakPolarHBondContact O-CG 3.5Å; M159-Q163 PolarHBondContact O-N 2.91Å; M159-Q163 VanDerWaalsContact O-N 3.14Å; M159-I169 HydrophobicContact CE-CD1 4.09Å; M159-I169 HydrophobicContact SD-CD1 4.34Å; M159-L191 HydrophobicContact SD-CB 4.46Å
160K93.8Very high93.2Very high105 Ų10570.1 Ų70.146%0.45732%0.321SS..Hα-helixtrans-61.3-48173.9179.8179.3169.2-176.40111.2K156 Q157 I158 I162 Q163 E164K156-K160 WeakPolarHBondContact O-CB 3.38Å; K156-K160 PolarHBondContact O-N 2.92Å; Q157-K160 PolarHBondContact O-N 3.36Å; I158-K160 VanDerWaalsContact C-N 3.31Å; I158-K160 PolarHBondContact O-N 2.78Å; K160-I162 PolarHBondContact O-N 2.8Å; K160-Q163 PolarHBondContact O-N 3.28Å; K160-E164 WeakPolarHBondContact CE-OE1 3.47Å; K160-E164 HydrophobicContact CG-CG 4.46Å; K160-E164 IonicContact NZ-OE1 3.93Å; K160-E164 WeakPolarHBondContact O-CG 3.36Å; K160-E164 PolarHBondContact O-N 3.08Å
161E94.4Very high92.8Very high26 Ų2672.5 Ų72.512%0.12133%0.332CS..Hα-helixtrans-66.1-38.1179.8-72.7175.2-159.400112.7L119 Q157 I158 Q163 E164 H165L119-E161 WeakPolarHBondContact CA-OE2 3.35Å; L119-E161 WeakPolarHBondContact CB-OE2 3.47Å; L119-E161 HydrophobicContact CD1-CB 4.15Å; L119-E161 PolarHBondContact N-OE2 2.96Å; Q157-E161 PolarHBondContact NE2-OE1 3.14Å; Q157-E161 WeakPolarHBondContact O-CG 3.49Å; Q157-E161 PolarHBondContact O-N 3.09Å; I158-E161 PolarHBondContact O-N 3.42Å; E161-Q163 VanDerWaalsContact C-N 3.3Å; E161-Q163 PolarHBondContact O-N 3.49Å; E161-E164 PolarHBondContact O-N 3.22Å; E161-H165 WeakPolarHBondContact O-CB 3.49Å; E161-H165 PolarHBondContact O-N 3.01Å; E161-H165 PolarHBondContact O-ND1 2.88Å
162I93.9Very high92.3Very high4 Ų472.5 Ų72.52%0.02133%0.33CS..Hα-helixtrans-58.2-44.1173.7-72.8172.4000110.6L119 M127 P138 I158 M159 K160 K166 I167 I169L119-I162 HydrophobicContact CD1-CG1 3.84Å; M127-I162 HydrophobicContact CE-CD1 4.16Å; M127-I162 HydrophobicContact CE-CG1 4.41Å; P138-I162 HydrophobicContact CG-CD1 4.46Å; I158-I162 HydrophobicContact CG2-CD1 3.63Å; I158-I162 HydrophobicContact CG2-CG1 4.23Å; I158-I162 VanDerWaalsContact O-CG1 3.29Å; I158-I162 WeakPolarHBondContact O-CG1 3.4Å; I158-I162 PolarHBondContact O-N 3.39Å; M159-I162 HydrophobicContact SD-CD1 4.35Å; K160-I162 PolarHBondContact O-N 2.8Å; I162-K166 PolarHBondContact O-N 2.95Å; I162-K166 VanDerWaalsContact O-N 3.17Å; I162-I167 HydrophobicContact CG2-CB 4.11Å; I162-I167 HydrophobicContact CG2-CG2 4.46Å; I162-I167 WeakPolarHBondContact CG2-O 3.49Å; I162-I167 PolarHBondContact O-N 2.68Å; I162-I169 HydrophobicContact CD1-CG2 4.24Å; I162-I169 HydrophobicContact CG2-CG2 4.01Å
163Q93.2Very high91.7Very high140 Ų14069.1 Ų69.165%0.65432%0.318SS*.Hα-helixtrans-68.5-45.8178.5-70.8173.99.500112.2M159 K160 E161 H165 K166M159-Q163 VanDerWaalsContact O-CG 3.31Å; M159-Q163 WeakPolarHBondContact O-CG 3.5Å; M159-Q163 PolarHBondContact O-N 2.91Å; M159-Q163 VanDerWaalsContact O-N 3.14Å; K160-Q163 PolarHBondContact O-N 3.28Å; E161-Q163 VanDerWaalsContact C-N 3.3Å; E161-Q163 PolarHBondContact O-N 3.49Å; Q163-H165 VanDerWaalsContact C-N 3.28Å; Q163-H165 PolarHBondContact O-N 3.47Å; Q163-K166 PolarHBondContact O-N 3.43Å
164E95.2Very high90.9Very high116 Ų11671.4 Ų71.454%0.54233%0.329SS..Hα-helixtrans-58.9-40.3177.8-75.6176.2176.700112K160 E161 K166K160-E164 WeakPolarHBondContact CE-OE1 3.47Å; K160-E164 HydrophobicContact CG-CG 4.46Å; K160-E164 IonicContact NZ-OE1 3.93Å; K160-E164 WeakPolarHBondContact O-CG 3.36Å; K160-E164 PolarHBondContact O-N 3.08Å; E161-E164 PolarHBondContact O-N 3.22Å; E164-K166 VanDerWaalsContact C-N 3.28Å; E164-K166 PolarHBondContact O-N 2.9Å
165H94.1Very high89.9Confident66 Ų6673.1 Ų73.131%0.30634%0.34SS..THydrogen-bonded Turntrans-84.91.6179.1-66.888.6000113.8I124 E161 Q163 I167I124-H165 HydrophobicContact CG2-CB 4.12Å; I124-H165 VanDerWaalsContact CG2-CD2 3.44Å; I124-H165 WeakPolarHBondContact CG2-CD2 3.38Å; E161-H165 WeakPolarHBondContact O-CB 3.49Å; E161-H165 PolarHBondContact O-N 3.01Å; E161-H165 PolarHBondContact O-ND1 2.88Å; Q163-H165 VanDerWaalsContact C-N 3.28Å; Q163-H165 PolarHBondContact O-N 3.47Å; H165-I167 HydrophobicContact CB-CD1 3.89Å; H165-I167 HydrophobicContact CB-CG1 4.03Å; H165-I167 PolarHBondContact O-N 3.33Å
166K94.4Very high89.2Confident176 Ų17680.1 Ų80.177%0.76538%0.379SS*.THydrogen-bonded Turntrans55.235.9179.9-57.4-179.3-179.6178.40113.7I162 Q163 E164I162-K166 PolarHBondContact O-N 2.95Å; I162-K166 VanDerWaalsContact O-N 3.17Å; Q163-K166 PolarHBondContact O-N 3.43Å; E164-K166 VanDerWaalsContact C-N 3.28Å; E164-K166 PolarHBondContact O-N 2.9Å
167I94.1Very high88.7Confident9 Ų977.6 Ų77.65%0.04637%0.372CS..  trans-79.9123178.6-65.1165.7000108.6I124 M127 K128 H131 I162 H165 I169I124-I167 HydrophobicContact CG2-CD1 4.28Å; M127-I167 HydrophobicContact CB-CD1 4.04Å; M127-I167 HydrophobicContact CB-CG2 3.94Å; M127-I167 HydrophobicContact CE-CG2 4.11Å; K128-I167 HydrophobicContact CG-CD1 4.2Å; K128-I167 HydrophobicContact CG-CG1 3.81Å; H131-I167 HydrophobicContact CB-CG2 4.34Å; I162-I167 HydrophobicContact CG2-CB 4.11Å; I162-I167 HydrophobicContact CG2-CG2 4.46Å; I162-I167 WeakPolarHBondContact CG2-O 3.49Å; I162-I167 PolarHBondContact O-N 2.68Å; H165-I167 HydrophobicContact CB-CD1 3.89Å; H165-I167 HydrophobicContact CB-CG1 4.03Å; H165-I167 PolarHBondContact O-N 3.33Å; I167-I169 HydrophobicContact CG2-CG2 4.44Å; I167-I169 PolarHBondContact O-N 2.92Å
168K91.2Very high88.2Confident150 Ų15081 Ų8165%0.65239%0.387SS*.  trans-82.3108.6176.6-62.4-176.7-177.9-178.10110H131H131-K168 HydrophobicContact CB-CB 4.29Å; H131-K168 WeakPolarHBondContact CB-O 3.45Å
169I92.6Very high87.6Confident26 Ų2688.2 Ų88.213%0.13342%0.421CS..PPolyproline II helixtrans-89.8169.3168.860.9173.1000109.7M127 P138 M159 I162 I167 E171M127-I169 HydrophobicContact CE-CG2 4.18Å; P138-I169 HydrophobicContact CG-CD1 4.4Å; P138-I169 HydrophobicContact CG-CG2 4.34Å; M159-I169 HydrophobicContact CE-CD1 4.09Å; M159-I169 HydrophobicContact SD-CD1 4.34Å; I162-I169 HydrophobicContact CD1-CG2 4.24Å; I162-I169 HydrophobicContact CG2-CG2 4.01Å; I167-I169 HydrophobicContact CG2-CG2 4.44Å; I167-I169 PolarHBondContact O-N 2.92Å; I169-E171 PolarHBondContact O-N 2.94Å
170Y90.6Very high87Confident10 Ų1090.4 Ų90.44%0.03943%0.431CS..PPolyproline II helixtrans-58.9122.1173.6174.3-102.6000110.3N135 I136 F172 M235 D243 L244N135-Y170 HydrophobicContact CB-CD2 4.04Å; N135-Y170 HydrophobicContact CB-CG 4.49Å; I136-Y170 PolarHBondContact O-N 2.79Å; Y170-F172 HydrophobicContact CD1-CE1 4.42Å; Y170-F172 AromaticContact CE1-CD1 3.68Å; Y170-F172 HydrophobicContact CE1-CD1 3.68Å; Y170-F172 AromaticContact CE1-CE1 3.79Å; Y170-F172 HydrophobicContact CE1-CE1 3.79Å; Y170-F172 HydrophobicContact CE1-CG 4.15Å; Y170-F172 HydrophobicContact CE1-CZ 4.33Å; Y170-M235 HydrophobicContact CD1-CE 3.43Å; Y170-M235 VanDerWaalsContact CD1-CE 3.43Å; Y170-M235 HydrophobicContact CE1-CE 3.31Å; Y170-D243 VanDerWaalsContact CE2-OD2 3.28Å; Y170-D243 WeakPolarHBondContact CE2-OD2 3.44Å; Y170-D243 VanDerWaalsContact CZ-OD2 3.24Å; Y170-D243 PolarHBondContact OH-OD2 3.08Å; Y170-L244 HydrophobicContact CD1-CD2 4.38Å; Y170-L244 HydrophobicContact CD2-CD2 3.5Å; Y170-L244 VanDerWaalsContact CD2-CD2 3.5Å; Y170-L244 HydrophobicContact CE1-CD2 4.32Å; Y170-L244 HydrophobicContact CE2-CD2 3.43Å; Y170-L244 VanDerWaalsContact CE2-CD2 3.43Å; Y170-L244 HydrophobicContact CE2-CG 4.07Å; Y170-L244 HydrophobicContact CG-CD2 3.97Å
171E83.9Confident86.4Confident142 Ų14287.9 Ų87.966%0.66442%0.423SS*.PPolyproline II helixtrans-102.1131.4174.1-69-177.4177.600108.4I169I169-E171 PolarHBondContact O-N 2.94Å
172F81.8Confident86Confident16 Ų1692.2 Ų92.27%0.0744%0.441CS..PPolyproline II helixtrans-69.6133.7175.7-61.2-86.6000109.5Y170 V184 I187 K188 L191 M235 H240Y170-F172 HydrophobicContact CD1-CE1 4.42Å; Y170-F172 AromaticContact CE1-CD1 3.68Å; Y170-F172 HydrophobicContact CE1-CD1 3.68Å; Y170-F172 AromaticContact CE1-CE1 3.79Å; Y170-F172 HydrophobicContact CE1-CE1 3.79Å; Y170-F172 HydrophobicContact CE1-CG 4.15Å; Y170-F172 HydrophobicContact CE1-CZ 4.33Å; F172-V184 HydrophobicContact CB-CB 4.48Å; F172-V184 HydrophobicContact CB-CG1 3.23Å; F172-V184 HydrophobicContact CD1-CG1 4.32Å; F172-V184 HydrophobicContact CD2-CG1 4.19Å; F172-V184 HydrophobicContact CG-CG1 3.69Å; F172-I187 HydrophobicContact CE1-CG2 4.03Å; F172-I187 HydrophobicContact CE2-CG2 3.99Å; F172-I187 HydrophobicContact CZ-CB 4.2Å; F172-I187 HydrophobicContact CZ-CG2 3.38Å; F172-K188 HydrophobicContact CD2-CB 4.35Å; F172-K188 HydrophobicContact CE2-CB 4.45Å; F172-L191 HydrophobicContact CE2-CD1 3.8Å; F172-M235 HydrophobicContact CD1-CE 4.4Å; F172-M235 HydrophobicContact CE1-CE 3.4Å; F172-M235 VanDerWaalsContact CE1-CE 3.4Å; F172-M235 HydrophobicContact CE1-CG 4.19Å; F172-M235 HydrophobicContact CE1-SD 3.84Å; F172-M235 HydrophobicContact CZ-CE 3.56Å; F172-M235 HydrophobicContact CZ-SD 3.81Å; F172-H240 AromaticContact CD1-CD2 3.49Å; F172-H240 VanDerWaalsContact CD1-CD2 3.49Å; F172-H240 WeakPolarHBondContact CD1-CD2 3.31Å; F172-H240 AromaticContact CD1-NE2 3.4Å; F172-H240 WeakPolarHBondContact CD1-NE2 3.34Å; F172-H240 AromaticContact CE1-CD2 3.96Å; F172-H240 AromaticContact CE1-NE2 3.86Å
173P79Confident85.4Confident47 Ų4796.4 Ų96.431%0.30546%0.463SS..PPolyproline II helixtrans-62.8143.9175.830.1-38.1000110D243P173-D243 WeakPolarHBondContact CD-OD2 3.38Å; P173-D243 HydrophobicContact CG-CB 4.3Å; P173-D243 WeakPolarHBondContact CG-OD1 3.29Å
174E75.4Confident84.9Confident184 Ų18490.5 Ų90.586%0.8644%0.437SS*.PPolyproline II helixtrans-79.3126.8168.6-64.3-176171.100108.2
175T74.3Confident84.5Confident38 Ų3891.5 Ų91.523%0.23344%0.439CS..PPolyproline II helixtrans-102.7157.2178530000110.2D177 E180 N181T175-D177 PolarHBondContact O-N 3.29Å; T175-D177 PolarHBondContact OG1-O 3.46Å; T175-E180 HydrophobicContact CG2-CG 4.44Å; T175-N181 PolarHBondContact N-OD1 3.4Å; T175-N181 PolarHBondContact O-ND2 3.3Å; T175-N181 PolarHBondContact O-OD1 2.6Å; T175-N181 PolarHBondContact OG1-OD1 3.43Å
176D77.4Confident84Confident179 Ų17995.2 Ų95.296%0.95745%0.454SS*.SBendtrans-69.9-13.7175-65.3-34.6000112.6
177D82.6Confident83.6Confident85 Ų8587.7 Ų87.746%0.45542%0.422SS..  trans-82.1115.9176.3-168.8-28.9000111.5T175 E179 E180 N181T175-D177 PolarHBondContact O-N 3.29Å; T175-D177 PolarHBondContact OG1-O 3.46Å; D177-E179 VanDerWaalsContact C-N 3.32Å; D177-E179 PolarHBondContact O-N 2.91Å; D177-E179 WeakPolarHBondContact OD1-CB 3.45Å; D177-E179 PolarHBondContact OD1-N 2.75Å; D177-E180 HydrophobicContact CB-CB 3.93Å; D177-E180 PolarHBondContact O-N 3.09Å; D177-E180 PolarHBondContact OD1-N 2.75Å; D177-N181 WeakPolarHBondContact O-CB 3.44Å; D177-N181 PolarHBondContact O-N 2.97Å; D177-N181 PolarHBondContact O-ND2 3.46Å
178E83.3Confident83.2Confident139 Ų13992.8 Ų92.865%0.6544%0.444SS*.Hα-helixtrans-64.2-31.5177-75.4-159.1177.800113.9K182E178-K182 VanDerWaalsContact O-CG 3.28Å; E178-K182 WeakPolarHBondContact O-CG 3.28Å; E178-K182 PolarHBondContact O-N 3.04Å; E178-K182 VanDerWaalsContact O-N 3.07Å; E178-K182 IonicContact OE2-NZ 3.93Å
179E82.4Confident83Confident152 Ų15291.3 Ų91.371%0.7144%0.443SS*.Hα-helixtrans-73.3-40.6179.4-63.8-148.3136.400111.1D177 K182 L183D177-E179 VanDerWaalsContact C-N 3.32Å; D177-E179 PolarHBondContact O-N 2.91Å; D177-E179 WeakPolarHBondContact OD1-CB 3.45Å; D177-E179 PolarHBondContact OD1-N 2.75Å; E179-K182 WeakPolarHBondContact O-CB 3.31Å; E179-K182 PolarHBondContact O-N 3.48Å; E179-L183 PolarHBondContact O-N 3.49Å; E179-L183 VanDerWaalsContact O-N 3.1Å
180E79Confident82.7Confident88 Ų8895.2 Ų95.241%0.41146%0.456SS..Hα-helixtrans-64-44174.3-170.3166.6-159.900110.9T175 D177 K182 L183 V184T175-E180 HydrophobicContact CG2-CG 4.44Å; D177-E180 HydrophobicContact CB-CB 3.93Å; D177-E180 PolarHBondContact O-N 3.09Å; D177-E180 PolarHBondContact OD1-N 2.75Å; E180-K182 VanDerWaalsContact C-N 3.3Å; E180-K182 PolarHBondContact O-N 2.8Å; E180-L183 WeakPolarHBondContact O-CA 3.43Å; E180-L183 WeakPolarHBondContact O-CB 3.21Å; E180-L183 PolarHBondContact O-N 3Å; E180-V184 WeakPolarHBondContact O-CG2 3.44Å; E180-V184 PolarHBondContact O-N 3.27Å
181N82.4Confident82.7Confident52 Ų5295.5 Ų95.528%0.27846%0.458SS..Hα-helixtrans-59.8-37.6174-79.3-26.7000113T175 D177 L183 V184 K185T175-N181 PolarHBondContact N-OD1 3.4Å; T175-N181 PolarHBondContact O-ND2 3.3Å; T175-N181 PolarHBondContact O-OD1 2.6Å; T175-N181 PolarHBondContact OG1-OD1 3.43Å; D177-N181 WeakPolarHBondContact O-CB 3.44Å; D177-N181 PolarHBondContact O-N 2.97Å; D177-N181 PolarHBondContact O-ND2 3.46Å; N181-L183 VanDerWaalsContact C-N 3.32Å; N181-V184 PolarHBondContact O-N 2.97Å; N181-K185 VanDerWaalsContact O-CB 3.3Å; N181-K185 WeakPolarHBondContact O-CB 3.46Å; N181-K185 PolarHBondContact O-N 2.99Å
182K84.4Confident83Confident117 Ų11788.7 Ų88.751%0.50943%0.427SS..Hα-helixtrans-64.4-38.2174.2-77.1166.3-171157.20111.5E178 E179 E180 K186E178-K182 VanDerWaalsContact O-CG 3.28Å; E178-K182 WeakPolarHBondContact O-CG 3.28Å; E178-K182 PolarHBondContact O-N 3.04Å; E178-K182 VanDerWaalsContact O-N 3.07Å; E178-K182 IonicContact OE2-NZ 3.93Å; E179-K182 WeakPolarHBondContact O-CB 3.31Å; E179-K182 PolarHBondContact O-N 3.48Å; E180-K182 VanDerWaalsContact C-N 3.3Å; E180-K182 PolarHBondContact O-N 2.8Å; K182-K186 WeakPolarHBondContact O-CG 3.24Å; K182-K186 PolarHBondContact O-N 2.87Å
183L80.9Confident83.6Confident93 Ų9388 Ų8849%0.48742%0.423SS..Hα-helixtrans-68.1-46.9176.1-176.465.5000111.2E179 E180 N181 K185 K186 I187E179-L183 PolarHBondContact O-N 3.49Å; E179-L183 VanDerWaalsContact O-N 3.1Å; E180-L183 WeakPolarHBondContact O-CA 3.43Å; E180-L183 WeakPolarHBondContact O-CB 3.21Å; E180-L183 PolarHBondContact O-N 3Å; N181-L183 VanDerWaalsContact C-N 3.32Å; L183-K185 VanDerWaalsContact C-N 3.31Å; L183-K185 PolarHBondContact O-N 2.62Å; L183-K186 WeakPolarHBondContact O-CB 3.23Å; L183-K186 PolarHBondContact O-N 2.9Å; L183-K186 VanDerWaalsContact O-N 3.16Å; L183-I187 HydrophobicContact CG-CD1 4.46Å; L183-I187 WeakPolarHBondContact O-CG1 3.45Å; L183-I187 PolarHBondContact O-N 2.91Å; L183-I187 VanDerWaalsContact O-N 3.12Å
184V84.3Confident84.3Confident16 Ų1686 Ų8610%0.09741%0.411CS..Hα-helixtrans-56.7-45.2176.1166.10000111.1F172 E180 N181 K186 I187 K188F172-V184 HydrophobicContact CB-CB 4.48Å; F172-V184 HydrophobicContact CB-CG1 3.23Å; F172-V184 HydrophobicContact CD1-CG1 4.32Å; F172-V184 HydrophobicContact CD2-CG1 4.19Å; F172-V184 HydrophobicContact CG-CG1 3.69Å; E180-V184 WeakPolarHBondContact O-CG2 3.44Å; E180-V184 PolarHBondContact O-N 3.27Å; N181-V184 PolarHBondContact O-N 2.97Å; V184-K186 VanDerWaalsContact C-N 3.34Å; V184-K186 PolarHBondContact O-N 2.92Å; V184-I187 PolarHBondContact O-N 3.48Å; V184-I187 VanDerWaalsContact O-N 3.09Å; V184-K188 WeakPolarHBondContact O-CB 3.42Å; V184-K188 PolarHBondContact O-N 2.83Å
185K85.4Confident85.1Confident136 Ų13677.3 Ų77.359%0.59137%0.371SS*.Hα-helixtrans-59.6-42.7177.1-170.5173.8-178.1175.90112.2N181 L183 I187 K188 D189N181-K185 VanDerWaalsContact O-CB 3.3Å; N181-K185 WeakPolarHBondContact O-CB 3.46Å; N181-K185 PolarHBondContact O-N 2.99Å; L183-K185 VanDerWaalsContact C-N 3.31Å; L183-K185 PolarHBondContact O-N 2.62Å; K185-I187 VanDerWaalsContact C-N 3.28Å; K185-I187 PolarHBondContact O-N 2.91Å; K185-K188 PolarHBondContact O-N 3.22Å; K185-D189 VanDerWaalsContact O-CG 3.23Å; K185-D189 PolarHBondContact O-N 2.86Å
186K84.6Confident85.9Confident145 Ų14575.7 Ų75.763%0.6336%0.361SS*.Hα-helixtrans-61.1-36.3175.1-72.3174.4-178.3177.30112.5K182 L183 V184K182-K186 WeakPolarHBondContact O-CG 3.24Å; K182-K186 PolarHBondContact O-N 2.87Å; L183-K186 WeakPolarHBondContact O-CB 3.23Å; L183-K186 PolarHBondContact O-N 2.9Å; L183-K186 VanDerWaalsContact O-N 3.16Å; V184-K186 VanDerWaalsContact C-N 3.34Å; V184-K186 PolarHBondContact O-N 2.92Å
187I85.2Confident86.3Confident18 Ų1868 Ų689%0.09232%0.324CS..Hα-helixtrans-70.8-44.7176.5-60.6169.7000109.9F172 L183 V184 K185 D189 R190 L191 I231F172-I187 HydrophobicContact CE1-CG2 4.03Å; F172-I187 HydrophobicContact CE2-CG2 3.99Å; F172-I187 HydrophobicContact CZ-CB 4.2Å; F172-I187 HydrophobicContact CZ-CG2 3.38Å; L183-I187 HydrophobicContact CG-CD1 4.46Å; L183-I187 WeakPolarHBondContact O-CG1 3.45Å; L183-I187 PolarHBondContact O-N 2.91Å; L183-I187 VanDerWaalsContact O-N 3.12Å; V184-I187 PolarHBondContact O-N 3.48Å; V184-I187 VanDerWaalsContact O-N 3.09Å; K185-I187 VanDerWaalsContact C-N 3.28Å; K185-I187 PolarHBondContact O-N 2.91Å; I187-D189 VanDerWaalsContact C-N 3.31Å; I187-D189 PolarHBondContact O-N 3.01Å; I187-R190 PolarHBondContact O-N 3.48Å; I187-L191 PolarHBondContact O-N 3.23Å; I187-I231 HydrophobicContact CB-CG2 4.49Å; I187-I231 HydrophobicContact CG1-CG2 4.07Å; I187-I231 HydrophobicContact CG2-CG2 3.88Å
188K86.3Confident86.4Confident115 Ų11564.2 Ų64.250%0.530%0.304SS..Hα-helixtrans-58.8-41.3178.1-169.2174.2-176.8171.20112F172 V184 K185 R190 L191F172-K188 HydrophobicContact CD2-CB 4.35Å; F172-K188 HydrophobicContact CE2-CB 4.45Å; V184-K188 WeakPolarHBondContact O-CB 3.42Å; V184-K188 PolarHBondContact O-N 2.83Å; K185-K188 PolarHBondContact O-N 3.22Å; K188-R190 PolarHBondContact O-N 3.4Å; K188-L191 WeakPolarHBondContact O-CB 3.34Å; K188-L191 PolarHBondContact O-N 2.89Å
189D86.7Confident86.2Confident119 Ų11960 Ų6064%0.63629%0.286SS*.THydrogen-bonded Turntrans-66.5-19.6177.5-68.9-18000113.1K185 I187K185-D189 VanDerWaalsContact O-CG 3.23Å; K185-D189 PolarHBondContact O-N 2.86Å; I187-D189 VanDerWaalsContact C-N 3.31Å; I187-D189 PolarHBondContact O-N 3.01Å
190R86.9Confident86.1Confident109 Ų10955 Ų5541%0.41127%0.266SS..THydrogen-bonded Turntrans-92.2-8.1176.6-71.4-155.2-175.8-155.70.7114.2K155 I187 K188 P192 L193 D228 I231K155-R190 PolarHBondContact NZ-O 3.41Å; I187-R190 PolarHBondContact O-N 3.48Å; K188-R190 PolarHBondContact O-N 3.4Å; R190-P192 CarbonylContact O-C 3.57Å; R190-L193 HydrophobicContact CB-CD2 4.22Å; R190-D228 VanDerWaalsContact CD-OD1 3.28Å; R190-D228 WeakPolarHBondContact CD-OD1 3.46Å; R190-D228 IonicContact CZ-OD1 3.4Å; R190-D228 IonicContact NE-OD1 2.75Å; R190-D228 IonicContact NH1-OD1 3.82Å; R190-D228 PolarHBondContact NH1-OD1 3Å; R190-I231 VanDerWaalsContact CD-CD1 3.45Å
191L89.6Confident86.3Confident15 Ų1554.7 Ų54.78%0.07927%0.266CS..PPolyproline II helixtrans-68.9142.5176.2-72.8174.7000111.4M159 F172 I187 K188 L193M159-L191 HydrophobicContact SD-CB 4.46Å; F172-L191 HydrophobicContact CE2-CD1 3.8Å; I187-L191 PolarHBondContact O-N 3.23Å; K188-L191 WeakPolarHBondContact O-CB 3.34Å; K188-L191 PolarHBondContact O-N 2.89Å; L191-L193 HydrophobicContact CD2-CD2 4.25Å; L191-L193 HydrophobicContact CD2-CG 3.93Å
192P91.9Very high86.4Confident0 Ų053.4 Ų53.40%026%0.259CS..SBendcis-69.2144.4-8.929-35.7000112.6P138 I140 K155 I158 R190 A194P138-P192 HydrophobicContact CB-CB 3.95Å; P138-P192 HydrophobicContact CG-CB 3.99Å; P138-P192 WeakPolarHBondContact O-CB 3.47Å; I140-P192 HydrophobicContact CD1-CG 3.89Å; I140-P192 HydrophobicContact CG1-CB 4.37Å; I140-P192 HydrophobicContact CG1-CG 4.12Å; K155-P192 HydrophobicContact CB-CG 4.4Å; K155-P192 WeakPolarHBondContact CE-O 3.44Å; K155-P192 HydrophobicContact CG-CG 4.08Å; K155-P192 PolarHBondContact NZ-O 3.15Å; I158-P192 HydrophobicContact CB-CG 4.13Å; I158-P192 HydrophobicContact CD1-CG 3.95Å; I158-P192 HydrophobicContact CG2-CG 3.92Å; R190-P192 CarbonylContact O-C 3.57Å; P192-A194 PolarHBondContact O-N 2.98Å
193L93.1Very high86.4Confident0 Ų054.7 Ų54.70%027%0.267CS..EExtended strand (participates in β ladder)trans-73130.4-174.5-58.2176.9000110.6P138 L139 I140 R190 L191 V195 D228 I231 L232P138-L193 PolarHBondContact O-N 3.15Å; L139-L193 CarbonylContact C-O 3.58Å; L139-L193 WeakPolarHBondContact CA-O 3.4Å; L139-L193 HydrophobicContact CD2-CB 3.77Å; L139-L193 HydrophobicContact CD2-CD1 4.2Å; L139-L193 HydrophobicContact CD2-CG 4.37Å; I140-L193 PolarHBondContact N-O 3.46Å; R190-L193 HydrophobicContact CB-CD2 4.22Å; L191-L193 HydrophobicContact CD2-CD2 4.25Å; L191-L193 HydrophobicContact CD2-CG 3.93Å; L193-V195 HydrophobicContact CB-CG1 4.36Å; L193-D228 HydrophobicContact CB-CB 4.09Å; L193-D228 HydrophobicContact CD2-CB 4.1Å; L193-I231 HydrophobicContact CD2-CG2 4.11Å; L193-L232 HydrophobicContact CD1-CB 3.77Å; L193-L232 HydrophobicContact CD1-CD1 3.99Å; L193-L232 HydrophobicContact CD1-CG 4.46Å
194A93.6Very high86.5Confident5 Ų551.5 Ų51.54%0.04125%0.251CS..EExtended strand (participates in β ladder)trans-93110.8179.300000109.8A143 P192 C227 D228A143-A194 HydrophobicContact CB-CB 3.68Å; P192-A194 PolarHBondContact O-N 2.98Å; A194-C227 WeakPolarHBondContact O-CB 3.3Å; A194-D228 PolarHBondContact N-OD2 3.41Å; A194-D228 VanDerWaalsContact N-OD2 3.1Å; A194-D228 PolarHBondContact O-N 3Å
195V92.9Very high86.4Confident3 Ų358.2 Ų58.22%0.01829%0.286CS..  trans-118.5144.5-170-61.40000113L13 L139 I140 K142 A143 L193 L232L13-V195 HydrophobicContact CD1-CB 4.17Å; L13-V195 HydrophobicContact CD1-CG2 4.14Å; L13-V195 HydrophobicContact CD2-CG2 4.04Å; L139-V195 HydrophobicContact CB-CG2 4.23Å; L139-V195 HydrophobicContact CD1-CG2 4.45Å; L139-V195 HydrophobicContact CD2-CG1 4.39Å; I140-V195 WeakPolarHBondContact O-CG2 3.33Å; I140-V195 PolarHBondContact O-N 3.33Å; K142-V195 PolarHBondContact N-O 3.47Å; A143-V195 PolarHBondContact N-O 2.86Å; L193-V195 HydrophobicContact CB-CG1 4.36Å; V195-L232 HydrophobicContact CG1-CD2 3.94Å
196V90.9Very high86.2Confident4 Ų454.5 Ų54.52%0.02429%0.287CS..  trans-121.9128.5172.8-177.10000107.5A143 D144 R212 V221 C227A143-V196 HydrophobicContact CB-CG2 4.12Å; D144-V196 HydrophobicContact CB-CG1 4.33Å; D144-V196 HydrophobicContact CB-CG2 3.84Å; V196-R212 HydrophobicContact CG1-CG 4.31Å; V196-V221 HydrophobicContact CG1-CG2 4.31Å; V196-V221 VanDerWaalsContact O-CG1 3.24Å; V196-V221 WeakPolarHBondContact O-CG1 3.4Å; V196-C227 HydrophobicContact CB-CB 4.28Å; V196-C227 HydrophobicContact CG2-CB 3.89Å
197G86.4Confident86.2Confident18 Ų1855 Ų5519%0.18629%0.289CS..  trans-105.2141.2175.100000110.9
198S84.4Confident86.1Confident5 Ų563.3 Ų63.34%0.03532%0.319CS..  trans-144.8141.1170.9-170.70000111.8S16 T200 G211S16-S198 PolarHBondContact OG-N 3.03Å; S16-S198 PolarHBondContact OG-O 3.1Å; S198-T200 PolarHBondContact OG-N 3.32Å; S198-T200 VanDerWaalsContact OG-N 3.08Å; S198-G211 WeakPolarHBondContact CB-O 3.46Å; S198-G211 PolarHBondContact OG-O 3.03Å
199N78.9Confident86Confident49 Ų4959 Ų5926%0.26230%0.302SS..  trans-96.9-6.9169.8-64.3-11.2000111.8N15 Y27N15-N199 WeakPolarHBondContact CB-OD1 3.45Å; Y27-N199 HydrophobicContact CE2-CB 4.23Å
200T80.3Confident85.9Confident47 Ų4755.3 Ų55.329%0.28828%0.28SS..  trans-95.8132.8-174.2-42.70000110.1Y27 S198 I202 R210 G211Y27-T200 PolarHBondContact OH-OG1 3.34Å; S198-T200 PolarHBondContact OG-N 3.32Å; S198-T200 VanDerWaalsContact OG-N 3.08Å; T200-I202 HydrophobicContact CG2-CG1 4.15Å; T200-R210 WeakPolarHBondContact O-CA 3.36Å; T200-G211 PolarHBondContact O-N 3.27Å; T200-G211 VanDerWaalsContact O-N 3.1Å
201I82.3Confident85.8Confident83 Ų8350.1 Ų50.143%0.42626%0.26SS..EExtended strand (participates in β ladder)trans-97.3123.3171.2-59.1171.5000107.6R208 R210I201-R208 HydrophobicContact CG2-CB 3.86Å; I201-R210 HydrophobicContact CG1-CG 4.06Å
202I85.4Confident85.7Confident25 Ų2553.1 Ų53.113%0.12827%0.27CS..EExtended strand (participates in β ladder)trans-118.7147.2-179.5-54.4166.6000107.6T200 V204 V209 G211 Q213 V218T200-I202 HydrophobicContact CG2-CG1 4.15Å; I202-V204 HydrophobicContact CG2-CG2 4.2Å; I202-V209 PolarHBondContact N-O 2.96Å; I202-V209 PolarHBondContact O-N 3.44Å; I202-G211 VanDerWaalsContact CD1-O 3.31Å; I202-G211 WeakPolarHBondContact CD1-O 3.4Å; I202-Q213 HydrophobicContact CD1-CB 3.83Å; I202-V218 HydrophobicContact CD1-CG1 3.9Å
203E85.4Confident85.5Confident144 Ų14458.7 Ų58.767%0.67330%0.296SS*.EExtended strand (participates in β ladder)trans-92116.3172.6-166.7173.616900109.8K207E203-K207 WeakPolarHBondContact CA-O 3.38Å
204V81.8Confident85.3Confident25 Ų2560.9 Ų60.915%0.15231%0.305CS..EExtended strand (participates in β ladder)trans-124.2123.6177.2-176.10000107.4I202 G206 K207 V209 V218I202-V204 HydrophobicContact CG2-CG2 4.2Å; V204-G206 PolarHBondContact O-N 2.81Å; V204-K207 PolarHBondContact N-O 3.07Å; V204-K207 PolarHBondContact O-N 3.47Å; V204-V209 HydrophobicContact CB-CG2 3.95Å; V204-V209 HydrophobicContact CG2-CG2 3.72Å; V204-V218 HydrophobicContact CG2-CB 4.31Å; V204-V218 HydrophobicContact CG2-CG1 3.96Å; V204-V218 HydrophobicContact CG2-CG2 4.38Å
205N81.6Confident85.1Confident157 Ų15766.7 Ų66.784%0.8434%0.342SS*.THydrogen-bonded Turntrans52.739.1-179.8-58.7-36.5000113.8K207N205-K207 PolarHBondContact O-N 3.41Å
206G81.9Confident84.9Confident59 Ų5976.4 Ų76.461%0.60838%0.379SS*.THydrogen-bonded Turntrans72.76.8-178.800000115V204V204-G206 PolarHBondContact O-N 2.81Å
207K84.3Confident84.7Confident155 Ų15577.6 Ų77.667%0.67439%0.392SS*.EExtended strand (participates in β ladder)trans-110133.9174.6-67.8-178.4-179.3176.10110.2E203 V204 N205 V209E203-K207 WeakPolarHBondContact CA-O 3.38Å; V204-K207 PolarHBondContact N-O 3.07Å; V204-K207 PolarHBondContact O-N 3.47Å; N205-K207 PolarHBondContact O-N 3.41Å; K207-V209 HydrophobicContact CB-CG1 4.26Å; K207-V209 PolarHBondContact O-N 3.29Å
208R83.4Confident84.8Confident193 Ų19378.6 Ų78.673%0.72839%0.394SS*.EExtended strand (participates in β ladder)trans-80108173-66-17869.5-163.11.4109I201I201-R208 HydrophobicContact CG2-CB 3.86Å
209V84.3Confident85.1Confident23 Ų2379.1 Ų79.114%0.13940%0.399CS..EExtended strand (participates in β ladder)trans-121.8148.8-178.1-64.50000110.2I202 V204 K207 E220I202-V209 PolarHBondContact N-O 2.96Å; I202-V209 PolarHBondContact O-N 3.44Å; V204-V209 HydrophobicContact CB-CG2 3.95Å; V204-V209 HydrophobicContact CG2-CG2 3.72Å; K207-V209 HydrophobicContact CB-CG1 4.26Å; K207-V209 PolarHBondContact O-N 3.29Å; V209-E220 HydrophobicContact CG2-CG 4.03Å
210R84Confident85.5Confident42 Ų4278.9 Ų78.916%0.15840%0.396CS..EExtended strand (participates in β ladder)trans-78.9128171.8-71.4-178.6-178.3-160.5-2.2109N15 L19 T200 I201 V221N15-R210 PolarHBondContact O-NH1 3.49Å; N15-R210 VanDerWaalsContact O-NH1 3.1Å; L19-R210 PolarHBondContact O-NH2 3.29Å; T200-R210 WeakPolarHBondContact O-CA 3.36Å; I201-R210 HydrophobicContact CG1-CG 4.06Å; R210-V221 WeakPolarHBondContact O-CB 3.44Å; R210-V221 PolarHBondContact O-N 3.37Å
211G86.1Confident85.9Confident0 Ų076.7 Ų76.70%038%0.383CS..EExtended strand (participates in β ladder)trans-163.1168.2-17500000113.7S198 T200 I202 A219S198-G211 WeakPolarHBondContact CB-O 3.46Å; S198-G211 PolarHBondContact OG-O 3.03Å; T200-G211 PolarHBondContact O-N 3.27Å; T200-G211 VanDerWaalsContact O-N 3.1Å; I202-G211 VanDerWaalsContact CD1-O 3.31Å; I202-G211 WeakPolarHBondContact CD1-O 3.4Å; G211-A219 CarbonylContact C-O 3.32Å; G211-A219 WeakPolarHBondContact CA-O 3.44Å
212R87.3Confident86Confident79 Ų7976.7 Ų76.730%0.29838%0.381SS..EExtended strand (participates in β ladder)trans-106.2124.6172-60-178.672.2-173.90.8108.8D144 V196 Y214 A219D144-R212 IonicContact OD1-NH1 3.19Å; D144-R212 PolarHBondContact OD1-NH1 3.05Å; D144-R212 WeakPolarHBondContact OD2-CD 3.49Å; D144-R212 IonicContact OD2-CZ 3.34Å; D144-R212 IonicContact OD2-NE 3.58Å; D144-R212 IonicContact OD2-NH1 2.72Å; D144-R212 PolarHBondContact OD2-NH1 3.45Å; V196-R212 HydrophobicContact CG1-CG 4.31Å; R212-Y214 HydrophobicContact CB-CE2 3.9Å; R212-Y214 PolarHBondContact NE-OH 2.97Å; R212-Y214 PolarHBondContact NH1-OH 3.44Å; R212-Y214 PolarHBondContact NH2-OH 2.89Å; R212-A219 HydrophobicContact CB-CB 4.37Å; R212-A219 PolarHBondContact N-O 3.44Å; R212-A219 PolarHBondContact O-N 3.19Å
213Q87.3Confident86.1Confident117 Ų11777.3 Ų77.355%0.54739%0.385SS..EExtended strand (participates in β ladder)trans-86.2126.8176.8-172.470.147.100109.7I202I202-Q213 HydrophobicContact CD1-CB 3.83Å
214Y88.9Confident86.1Confident46 Ų4672.1 Ų72.118%0.1837%0.369CS..EExtended strand (participates in β ladder)trans-117.9161.9169.5-64.7-71.7000110.3D144 R212 W216 G217 A219D144-Y214 PolarHBondContact OD2-OH 3.32Å; R212-Y214 HydrophobicContact CB-CE2 3.9Å; R212-Y214 PolarHBondContact NE-OH 2.97Å; R212-Y214 PolarHBondContact NH1-OH 3.44Å; R212-Y214 PolarHBondContact NH2-OH 2.89Å; Y214-W216 AromaticContact CD1-CH2 3.98Å; Y214-W216 HydrophobicContact CD1-CH2 3.98Å; Y214-W216 AromaticContact CD1-CZ2 3.6Å; Y214-W216 HydrophobicContact CD1-CZ2 3.6Å; Y214-W216 HydrophobicContact CD2-CZ2 4.45Å; Y214-W216 HydrophobicContact CE1-CZ2 4.3Å; Y214-W216 AromaticContact CG-CE2 3.8Å; Y214-W216 HydrophobicContact CG-CH2 4.4Å; Y214-W216 AromaticContact CG-CZ2 3.7Å; Y214-W216 HydrophobicContact CG-CZ2 3.7Å; Y214-W216 AromaticContact CG-NE1 3.96Å; Y214-W216 PolarHBondContact O-N 2.94Å; Y214-G217 WeakPolarHBondContact CA-O 3.25Å; Y214-G217 WeakPolarHBondContact CB-O 3.4Å; Y214-G217 PolarHBondContact N-O 3.36Å; Y214-G217 PolarHBondContact O-N 3.49Å; Y214-G217 VanDerWaalsContact O-O 3.07Å; Y214-A219 HydrophobicContact CE2-CB 4.14Å
215P89.1Confident86.3Confident127 Ų12779.3 Ų79.383%0.82540%0.402SS*.THydrogen-bonded Turntrans-58.3-28.2173.1-25.435000113.5
216W88Confident86.6Confident206 Ų20676.2 Ų76.278%0.7838%0.382SS*.THydrogen-bonded Turntrans-98.6-4-177.354.283.7000114.6Y214Y214-W216 AromaticContact CD1-CH2 3.98Å; Y214-W216 HydrophobicContact CD1-CH2 3.98Å; Y214-W216 AromaticContact CD1-CZ2 3.6Å; Y214-W216 HydrophobicContact CD1-CZ2 3.6Å; Y214-W216 HydrophobicContact CD2-CZ2 4.45Å; Y214-W216 HydrophobicContact CE1-CZ2 4.3Å; Y214-W216 AromaticContact CG-CE2 3.8Å; Y214-W216 HydrophobicContact CG-CH2 4.4Å; Y214-W216 AromaticContact CG-CZ2 3.7Å; Y214-W216 HydrophobicContact CG-CZ2 3.7Å; Y214-W216 AromaticContact CG-NE1 3.96Å; Y214-W216 PolarHBondContact O-N 2.94Å
217G88.3Confident87Confident29 Ų2973.7 Ų73.730%0.29936%0.355SS..EExtended strand (participates in β ladder)trans160.2-173.7-178.800000114.4Y214Y214-G217 WeakPolarHBondContact CA-O 3.25Å; Y214-G217 WeakPolarHBondContact CB-O 3.4Å; Y214-G217 PolarHBondContact N-O 3.36Å; Y214-G217 PolarHBondContact O-N 3.49Å; Y214-G217 VanDerWaalsContact O-O 3.07Å
218V88.6Confident87.4Confident40 Ų4066.8 Ų66.824%0.24233%0.325CS..EExtended strand (participates in β ladder)trans-120.1121.9-178.9-171.60000110.1I202 V204 E220I202-V218 HydrophobicContact CD1-CG1 3.9Å; V204-V218 HydrophobicContact CG2-CB 4.31Å; V204-V218 HydrophobicContact CG2-CG1 3.96Å; V204-V218 HydrophobicContact CG2-CG2 4.38Å; V218-E220 HydrophobicContact CG1-CG 4.5Å; V218-E220 PolarHBondContact O-N 2.92Å
219A89Confident87.7Confident16 Ų1657.7 Ų57.713%0.13229%0.291CS..EExtended strand (participates in β ladder)trans-88.295.717100000109.6G211 R212 Y214G211-A219 CarbonylContact C-O 3.32Å; G211-A219 WeakPolarHBondContact CA-O 3.44Å; R212-A219 HydrophobicContact CB-CB 4.37Å; R212-A219 PolarHBondContact N-O 3.44Å; R212-A219 PolarHBondContact O-N 3.19Å; Y214-A219 HydrophobicContact CE2-CB 4.14Å
220E89Confident87.9Confident43 Ų4358.5 Ų58.520%0.20130%0.296CS..EExtended strand (participates in β ladder)trans-69.1127.5172.7-63179.7-138.800112V209 V218 N223 H226V209-E220 HydrophobicContact CG2-CG 4.03Å; V218-E220 HydrophobicContact CG1-CG 4.5Å; V218-E220 PolarHBondContact O-N 2.92Å; E220-N223 HydrophobicContact CB-CB 3.68Å; E220-H226 PolarHBondContact N-ND1 3.23Å; E220-H226 VanDerWaalsContact N-ND1 3.17Å; E220-H226 WeakPolarHBondContact O-CB 3.35Å
221V88.1Confident88.2Confident1 Ų158.1 Ų58.11%0.00630%0.297CS..SBendtrans-77.3-32.5-177.61720000112.2V196 R210 N223 C227 F229V196-V221 HydrophobicContact CG1-CG2 4.31Å; V196-V221 VanDerWaalsContact O-CG1 3.24Å; V196-V221 WeakPolarHBondContact O-CG1 3.4Å; R210-V221 WeakPolarHBondContact O-CB 3.44Å; R210-V221 PolarHBondContact O-N 3.37Å; V221-N223 VanDerWaalsContact C-N 3.33Å; V221-C227 PolarHBondContact O-SG 3.17Å; V221-F229 HydrophobicContact CG1-CB 4.09Å; V221-F229 HydrophobicContact CG1-CD1 3.5Å; V221-F229 VanDerWaalsContact CG1-CD1 3.5Å; V221-F229 HydrophobicContact CG1-CD2 3.96Å; V221-F229 HydrophobicContact CG1-CE1 3.82Å; V221-F229 HydrophobicContact CG1-CE2 4.26Å; V221-F229 HydrophobicContact CG1-CG 3.57Å; V221-F229 HydrophobicContact CG1-CZ 4.18Å; V221-F229 WeakPolarHBondContact O-CB 3.39Å
222E84.9Confident88.4Confident83 Ų8358.1 Ų58.139%0.38830%0.297SS..SBendtrans-90.51.7-179.4-63.7-170.5143.500113.1F229 T230 R233E222-F229 HydrophobicContact CG-CE1 4.42Å; E222-T230 HydrophobicContact CB-CG2 4.32Å; E222-T230 WeakPolarHBondContact O-CG2 3.5Å; E222-R233 IonicContact OE1-NH1 3.19Å; E222-R233 PolarHBondContact OE1-NH1 2.9Å
223N87.1Confident88.4Confident39 Ų3956.2 Ų56.221%0.20929%0.29CS..  trans-86.5119177.4-172-18.2000110.7E220 V221 E225 H226 C227E220-N223 HydrophobicContact CB-CB 3.68Å; V221-N223 VanDerWaalsContact C-N 3.33Å; N223-E225 PolarHBondContact O-N 3.41Å; N223-E225 WeakPolarHBondContact OD1-CB 3.49Å; N223-E225 PolarHBondContact OD1-N 2.95Å; N223-H226 HydrophobicContact CB-CB 4.28Å; N223-H226 PolarHBondContact O-N 3.02Å; N223-H226 VanDerWaalsContact O-N 3.09Å; N223-C227 PolarHBondContact O-N 3.3Å; N223-C227 VanDerWaalsContact O-N 3.07Å
224G85.8Confident88.4Confident34 Ų3453.6 Ų53.635%0.35128%0.279SS..THydrogen-bonded Turntrans-70.3-11.3-178.900000115.3
225E86.3Confident88.2Confident177 Ų17751.5 Ų51.583%0.82727%0.271SS*.THydrogen-bonded Turntrans-83.2-27.2170.1-62.5-174.3163.800111.9N223N223-E225 PolarHBondContact O-N 3.41Å; N223-E225 WeakPolarHBondContact OD1-CB 3.49Å; N223-E225 PolarHBondContact OD1-N 2.95Å
226H86.5Confident88.1Confident91 Ų9146.8 Ų46.842%0.42124%0.239SC..THydrogen-bonded Turntrans-90.5-39.7-179.1-66.6177.4000112.7E220 N223E220-H226 PolarHBondContact N-ND1 3.23Å; E220-H226 VanDerWaalsContact N-ND1 3.17Å; E220-H226 WeakPolarHBondContact O-CB 3.35Å; N223-H226 HydrophobicContact CB-CB 4.28Å; N223-H226 PolarHBondContact O-N 3.02Å; N223-H226 VanDerWaalsContact O-N 3.09Å
227C90.6Very high87.8Confident7 Ų738 Ų385%0.04721%0.207CC..  trans-156.9163.6178.471.40000113.6A194 V196 V221 N223 F229A194-C227 WeakPolarHBondContact O-CB 3.3Å; V196-C227 HydrophobicContact CB-CB 4.28Å; V196-C227 HydrophobicContact CG2-CB 3.89Å; V221-C227 PolarHBondContact O-SG 3.17Å; N223-C227 PolarHBondContact O-N 3.3Å; N223-C227 VanDerWaalsContact O-N 3.07Å; C227-F229 PolarHBondContact O-N 2.89Å; C227-F229 VanDerWaalsContact SG-CB 3.54Å
228D92.2Very high87.3Confident9 Ų944 Ų445%0.04822%0.221CC..SBendtrans-86.217.9-179.4-61-47.6000113K155 R190 L193 A194 T230 I231 L232K155-D228 IonicContact NZ-OD2 3.93Å; K155-D228 PolarHBondContact NZ-OD2 3.03Å; R190-D228 VanDerWaalsContact CD-OD1 3.28Å; R190-D228 WeakPolarHBondContact CD-OD1 3.46Å; R190-D228 IonicContact CZ-OD1 3.4Å; R190-D228 IonicContact NE-OD1 2.75Å; R190-D228 IonicContact NH1-OD1 3.82Å; R190-D228 PolarHBondContact NH1-OD1 3Å; L193-D228 HydrophobicContact CB-CB 4.09Å; L193-D228 HydrophobicContact CD2-CB 4.1Å; A194-D228 PolarHBondContact N-OD2 3.41Å; A194-D228 VanDerWaalsContact N-OD2 3.1Å; A194-D228 PolarHBondContact O-N 3Å; D228-T230 VanDerWaalsContact C-N 3.35Å; D228-T230 PolarHBondContact O-N 3.37Å; D228-I231 HydrophobicContact CB-CD1 4.36Å; D228-I231 WeakPolarHBondContact O-CB 3.28Å; D228-I231 PolarHBondContact O-N 3.24Å; D228-L232 PolarHBondContact O-N 2.88Å; D228-L232 VanDerWaalsContact O-N 3.11Å
229F90.8Very high87Confident2 Ų245.5 Ų45.51%0.00923%0.23CC..Hα-helixtrans-61.6-39.8-175.6173.4-96.3000113L13 L17 V221 E222 C227 I231 L232 R233L13-F229 HydrophobicContact CD1-CD2 3.82Å; L13-F229 HydrophobicContact CD1-CE2 3.9Å; L17-F229 HydrophobicContact CB-CE2 4.33Å; L17-F229 HydrophobicContact CB-CZ 4.47Å; V221-F229 HydrophobicContact CG1-CB 4.09Å; V221-F229 HydrophobicContact CG1-CD1 3.5Å; V221-F229 VanDerWaalsContact CG1-CD1 3.5Å; V221-F229 HydrophobicContact CG1-CD2 3.96Å; V221-F229 HydrophobicContact CG1-CE1 3.82Å; V221-F229 HydrophobicContact CG1-CE2 4.26Å; V221-F229 HydrophobicContact CG1-CG 3.57Å; V221-F229 HydrophobicContact CG1-CZ 4.18Å; V221-F229 WeakPolarHBondContact O-CB 3.39Å; E222-F229 HydrophobicContact CG-CE1 4.42Å; C227-F229 PolarHBondContact O-N 2.89Å; C227-F229 VanDerWaalsContact SG-CB 3.54Å; F229-I231 VanDerWaalsContact C-N 3.26Å; F229-I231 PolarHBondContact O-N 3.43Å; F229-L232 PolarHBondContact O-N 3.49Å; F229-R233 WeakPolarHBondContact O-CB 3.28Å; F229-R233 PolarHBondContact O-N 3.31Å
230T88.2Confident86.8Confident41 Ų4145.2 Ų45.225%0.25223%0.226SC..Hα-helixtrans-63.2-35.5177.851.60000111.9E222 D228 N234E222-T230 HydrophobicContact CB-CG2 4.32Å; E222-T230 WeakPolarHBondContact O-CG2 3.5Å; D228-T230 VanDerWaalsContact C-N 3.35Å; D228-T230 PolarHBondContact O-N 3.37Å; T230-N234 VanDerWaalsContact O-CB 3.32Å; T230-N234 WeakPolarHBondContact O-CB 3.49Å; T230-N234 PolarHBondContact O-N 3.12Å; T230-N234 PolarHBondContact O-ND2 3.1Å
231I90.3Very high86.7Confident33 Ų3345.8 Ų45.817%0.16923%0.229CC..Hα-helixtrans-66.4-48.6176.4-58.6177.1000109.7I187 R190 L193 D228 F229 R233 N234 M235I187-I231 HydrophobicContact CB-CG2 4.49Å; I187-I231 HydrophobicContact CG1-CG2 4.07Å; I187-I231 HydrophobicContact CG2-CG2 3.88Å; R190-I231 VanDerWaalsContact CD-CD1 3.45Å; L193-I231 HydrophobicContact CD2-CG2 4.11Å; D228-I231 HydrophobicContact CB-CD1 4.36Å; D228-I231 WeakPolarHBondContact O-CB 3.28Å; D228-I231 PolarHBondContact O-N 3.24Å; F229-I231 VanDerWaalsContact C-N 3.26Å; F229-I231 PolarHBondContact O-N 3.43Å; I231-R233 PolarHBondContact O-N 3.48Å; I231-N234 PolarHBondContact O-N 3.07Å; I231-M235 VanDerWaalsContact O-CB 3.24Å; I231-M235 WeakPolarHBondContact O-CB 3.49Å; I231-M235 PolarHBondContact O-N 3.11Å
232L90.6Very high86.7Confident0 Ų050.7 Ų50.70%025%0.252CS..Hα-helixtrans-57-48.5175.9177.561.7000111.7L13 L17 L109 I137 L139 L193 V195 D228 F229 M235 L236L13-L232 HydrophobicContact CD2-CD2 4.06Å; L17-L232 HydrophobicContact CD1-CD2 3.91Å; L17-L232 HydrophobicContact CD1-CG 4.02Å; L109-L232 HydrophobicContact CD2-CD1 4.08Å; I137-L232 HydrophobicContact CG2-CD1 4.47Å; L139-L232 HydrophobicContact CD1-CD2 3.74Å; L139-L232 HydrophobicContact CD2-CD1 3.95Å; L139-L232 HydrophobicContact CD2-CD2 3.97Å; L193-L232 HydrophobicContact CD1-CB 3.77Å; L193-L232 HydrophobicContact CD1-CD1 3.99Å; L193-L232 HydrophobicContact CD1-CG 4.46Å; V195-L232 HydrophobicContact CG1-CD2 3.94Å; D228-L232 PolarHBondContact O-N 2.88Å; D228-L232 VanDerWaalsContact O-N 3.11Å; F229-L232 PolarHBondContact O-N 3.49Å; L232-M235 PolarHBondContact O-N 3.18Å; L232-L236 HydrophobicContact CD1-CD1 3.65Å; L232-L236 HydrophobicContact CD1-CG 4Å; L232-L236 HydrophobicContact CG-CD1 3.96Å; L232-L236 WeakPolarHBondContact O-CG 3.39Å; L232-L236 PolarHBondContact O-N 2.86Å
233R87.4Confident87Confident40 Ų4048.4 Ų48.415%0.15124%0.242CC..Hα-helixtrans-62.3-48.1-178.8-178.5-179.6170-171.9-2.8111.8E49 E222 F229 I231 M235 L236 I237E49-R233 IonicContact OE1-NH2 3.77Å; E222-R233 IonicContact OE1-NH1 3.19Å; E222-R233 PolarHBondContact OE1-NH1 2.9Å; F229-R233 WeakPolarHBondContact O-CB 3.28Å; F229-R233 PolarHBondContact O-N 3.31Å; I231-R233 PolarHBondContact O-N 3.48Å; R233-M235 VanDerWaalsContact C-N 3.33Å; R233-M235 PolarHBondContact O-N 3.49Å; R233-L236 PolarHBondContact O-N 3.24Å; R233-I237 HydrophobicContact CG-CD1 3.93Å; R233-I237 PolarHBondContact O-N 3.14Å; R233-I237 VanDerWaalsContact O-N 3.08Å
234N86Confident87.2Confident61 Ų6146.8 Ų46.833%0.32623%0.234SC..Hα-helixtrans-64-40.6179.6-72.9-23.8000111.5T230 I231 R238 T239T230-N234 VanDerWaalsContact O-CB 3.32Å; T230-N234 WeakPolarHBondContact O-CB 3.49Å; T230-N234 PolarHBondContact O-N 3.12Å; T230-N234 PolarHBondContact O-ND2 3.1Å; I231-N234 PolarHBondContact O-N 3.07Å; N234-R238 WeakPolarHBondContact O-CA 3.46Å; N234-R238 WeakPolarHBondContact O-CB 3.46Å; N234-R238 PolarHBondContact O-N 2.97Å; N234-T239 PolarHBondContact O-N 3.39Å; N234-T239 VanDerWaalsContact O-N 3.14Å; N234-T239 PolarHBondContact O-OG1 3.23Å
235M86Confident87.5Confident2 Ų248.6 Ų48.61%0.0123%0.232CC..Iπ-helixtrans-59.1-50.3176.2179.8-171.7173.500111.8I137 Y170 F172 I231 L232 R233 T239 H240I137-M235 HydrophobicContact CD1-CE 3.49Å; I137-M235 VanDerWaalsContact CD1-CE 3.49Å; I137-M235 HydrophobicContact CD1-SD 4.04Å; I137-M235 HydrophobicContact CG1-CE 4.2Å; Y170-M235 HydrophobicContact CD1-CE 3.43Å; Y170-M235 VanDerWaalsContact CD1-CE 3.43Å; Y170-M235 HydrophobicContact CE1-CE 3.31Å; F172-M235 HydrophobicContact CD1-CE 4.4Å; F172-M235 HydrophobicContact CE1-CE 3.4Å; F172-M235 VanDerWaalsContact CE1-CE 3.4Å; F172-M235 HydrophobicContact CE1-CG 4.19Å; F172-M235 HydrophobicContact CE1-SD 3.84Å; F172-M235 HydrophobicContact CZ-CE 3.56Å; F172-M235 HydrophobicContact CZ-SD 3.81Å; I231-M235 VanDerWaalsContact O-CB 3.24Å; I231-M235 WeakPolarHBondContact O-CB 3.49Å; I231-M235 PolarHBondContact O-N 3.11Å; L232-M235 PolarHBondContact O-N 3.18Å; R233-M235 VanDerWaalsContact C-N 3.33Å; R233-M235 PolarHBondContact O-N 3.49Å; M235-T239 WeakPolarHBondContact CA-OG1 3.4Å; M235-H240 HydrophobicContact CG-CB 4.1Å; M235-H240 WeakPolarHBondContact O-CB 3.44Å; M235-H240 PolarHBondContact O-N 3.42Å
236L85.6Confident87.7Confident28 Ų2843.3 Ų43.315%0.14721%0.209CC..Iπ-helixtrans-73-35.6-174.1-71.1174.6000114.2L17 L109 I137 L232 R233 M241 L244L17-L236 HydrophobicContact CD1-CD1 3.86Å; L17-L236 HydrophobicContact CD2-CD1 4.24Å; L109-L236 HydrophobicContact CD1-CD1 3.99Å; L109-L236 HydrophobicContact CD2-CD1 4.09Å; L109-L236 HydrophobicContact CD2-CD2 4.26Å; I137-L236 HydrophobicContact CD1-CD2 3.94Å; L232-L236 HydrophobicContact CD1-CD1 3.65Å; L232-L236 HydrophobicContact CD1-CG 4Å; L232-L236 HydrophobicContact CG-CD1 3.96Å; L232-L236 WeakPolarHBondContact O-CG 3.39Å; L232-L236 PolarHBondContact O-N 2.86Å; R233-L236 PolarHBondContact O-N 3.24Å; L236-M241 WeakPolarHBondContact O-CB 3.26Å; L236-L244 HydrophobicContact CD2-CD1 4.15Å
237I81.7Confident88Confident21 Ų2140.6 Ų40.611%0.10820%0.199CC..Iπ-helixtrans-101.6-37.1-170.1-56.5178.4000111.8L17 F18 E49 R233L17-I237 HydrophobicContact CD2-CD1 4.03Å; L17-I237 HydrophobicContact CD2-CG1 4.43Å; F18-I237 HydrophobicContact CD1-CD1 4.37Å; F18-I237 HydrophobicContact CE1-CD1 4.25Å; E49-I237 VanDerWaalsContact OE2-CG2 3.25Å; E49-I237 WeakPolarHBondContact OE2-CG2 3.07Å; R233-I237 HydrophobicContact CG-CD1 3.93Å; R233-I237 PolarHBondContact O-N 3.14Å; R233-I237 VanDerWaalsContact O-N 3.08Å
238R79Confident88.1Confident156 Ų15640.3 Ų40.359%0.58920%0.197SC*.Iπ-helixtrans-104.7-50.2-166.8-61.7-177.8174.5-178.1-2113.7E49 N234E49-R238 IonicContact OE2-NE 2.78Å; N234-R238 WeakPolarHBondContact O-CA 3.46Å; N234-R238 WeakPolarHBondContact O-CB 3.46Å; N234-R238 PolarHBondContact O-N 2.97Å
239T81.6Confident88.1Confident72 Ų7242.1 Ų42.144%0.44221%0.207SC..Iπ-helixtrans-102-50.6-165.5470000113.4N234 M235N234-T239 PolarHBondContact O-N 3.39Å; N234-T239 VanDerWaalsContact O-N 3.14Å; N234-T239 PolarHBondContact O-OG1 3.23Å; M235-T239 WeakPolarHBondContact CA-OG1 3.4Å
240H85.9Confident88.1Confident10 Ų1047 Ų475%0.04623%0.233CC..SBendtrans-107.69.9-166.6-60.379.6000113.9F172 M235 Q242 D243 L244F172-H240 AromaticContact CD1-CD2 3.49Å; F172-H240 VanDerWaalsContact CD1-CD2 3.49Å; F172-H240 WeakPolarHBondContact CD1-CD2 3.31Å; F172-H240 AromaticContact CD1-NE2 3.4Å; F172-H240 WeakPolarHBondContact CD1-NE2 3.34Å; F172-H240 AromaticContact CE1-CD2 3.96Å; F172-H240 AromaticContact CE1-NE2 3.86Å; M235-H240 HydrophobicContact CG-CB 4.1Å; M235-H240 WeakPolarHBondContact O-CB 3.44Å; M235-H240 PolarHBondContact O-N 3.42Å; H240-Q242 VanDerWaalsContact C-N 3.33Å; H240-Q242 PolarHBondContact O-N 2.91Å; H240-D243 PolarHBondContact O-N 3.4Å; H240-L244 WeakPolarHBondContact O-CB 3.42Å; H240-L244 VanDerWaalsContact O-CG 3.28Å; H240-L244 WeakPolarHBondContact O-CG 3.47Å; H240-L244 PolarHBondContact O-N 3.21Å
241M86.6Confident88.3Confident54 Ų5448.1 Ų48.127%0.26624%0.24SC..Hα-helixtrans-60.8-42.2-179.3-177.4-176.653.400112.3L54 L236 K245L54-M241 HydrophobicContact CD1-CE 4.31Å; L54-M241 HydrophobicContact CD2-CE 3.86Å; L54-M241 HydrophobicContact CD2-SD 4.25Å; L236-M241 WeakPolarHBondContact O-CB 3.26Å; M241-K245 WeakPolarHBondContact O-CG 2.87Å; M241-K245 PolarHBondContact O-N 3.1Å
242Q88.6Confident88.4Confident105 Ų10547.3 Ų47.349%0.49124%0.235SC..Hα-helixtrans-70.1-44.6-178.4-174.555.843.200110.7H240 L244 K245 D246H240-Q242 VanDerWaalsContact C-N 3.33Å; H240-Q242 PolarHBondContact O-N 2.91Å; Q242-L244 PolarHBondContact O-N 3.23Å; Q242-K245 WeakPolarHBondContact O-CA 3.37Å; Q242-K245 VanDerWaalsContact O-CB 3.29Å; Q242-K245 WeakPolarHBondContact O-CB 3.31Å; Q242-K245 PolarHBondContact O-N 3.31Å; Q242-D246 PolarHBondContact NE2-OD1 3.14Å; Q242-D246 VanDerWaalsContact O-CG 3.32Å; Q242-D246 PolarHBondContact O-N 3.09Å
243D90.2Very high88.6Confident34 Ų3447.3 Ų47.318%0.18224%0.235CC..Hα-helixtrans-60.9-43176.7179.870.9000112.5Y170 P173 H240 K245 D246 V247Y170-D243 VanDerWaalsContact CE2-OD2 3.28Å; Y170-D243 WeakPolarHBondContact CE2-OD2 3.44Å; Y170-D243 VanDerWaalsContact CZ-OD2 3.24Å; Y170-D243 PolarHBondContact OH-OD2 3.08Å; P173-D243 WeakPolarHBondContact CD-OD2 3.38Å; P173-D243 HydrophobicContact CG-CB 4.3Å; P173-D243 WeakPolarHBondContact CG-OD1 3.29Å; H240-D243 PolarHBondContact O-N 3.4Å; D243-K245 PolarHBondContact O-N 3.42Å; D243-D246 PolarHBondContact O-N 2.98Å; D243-V247 WeakPolarHBondContact O-CG2 3.42Å; D243-V247 PolarHBondContact O-N 3.22Å
244L91.8Very high88.7Confident6 Ų648.2 Ų48.23%0.03124%0.241CC..Hα-helixtrans-55.6-36.7173.4-75.5166.8000112.3C107 N135 Y170 L236 H240 Q242 T248C107-L244 HydrophobicContact CB-CD1 4.15Å; C107-L244 HydrophobicContact CB-CD2 4.19Å; N135-L244 HydrophobicContact CB-CD2 3.77Å; N135-L244 PolarHBondContact ND2-O 2.72Å; N135-L244 VanDerWaalsContact ND2-O 3.11Å; Y170-L244 HydrophobicContact CD1-CD2 4.38Å; Y170-L244 HydrophobicContact CD2-CD2 3.5Å; Y170-L244 VanDerWaalsContact CD2-CD2 3.5Å; Y170-L244 HydrophobicContact CE1-CD2 4.32Å; Y170-L244 HydrophobicContact CE2-CD2 3.43Å; Y170-L244 VanDerWaalsContact CE2-CD2 3.43Å; Y170-L244 HydrophobicContact CE2-CG 4.07Å; Y170-L244 HydrophobicContact CG-CD2 3.97Å; L236-L244 HydrophobicContact CD2-CD1 4.15Å; H240-L244 WeakPolarHBondContact O-CB 3.42Å; H240-L244 VanDerWaalsContact O-CG 3.28Å; H240-L244 WeakPolarHBondContact O-CG 3.47Å; H240-L244 PolarHBondContact O-N 3.21Å; Q242-L244 PolarHBondContact O-N 3.23Å; L244-T248 WeakPolarHBondContact O-CB 3.29Å; L244-T248 PolarHBondContact O-N 3.09Å; L244-T248 VanDerWaalsContact O-N 3.13Å; L244-T248 PolarHBondContact O-OG1 3.15Å
245K91.4Very high89Confident72 Ų7249.1 Ų49.131%0.31325%0.246SC..Hα-helixtrans-69.6-43.4174-72170.9177.4179.60111.6Q106 M241 Q242 D243 T248 N249Q106-K245 HydrophobicContact CG-CG 3.68Å; M241-K245 WeakPolarHBondContact O-CG 2.87Å; M241-K245 PolarHBondContact O-N 3.1Å; Q242-K245 WeakPolarHBondContact O-CA 3.37Å; Q242-K245 VanDerWaalsContact O-CB 3.29Å; Q242-K245 WeakPolarHBondContact O-CB 3.31Å; Q242-K245 PolarHBondContact O-N 3.31Å; D243-K245 PolarHBondContact O-N 3.42Å; K245-T248 WeakPolarHBondContact O-CB 3.33Å; K245-T248 PolarHBondContact O-N 3.18Å; K245-N249 WeakPolarHBondContact O-CB 3.29Å; K245-N249 PolarHBondContact O-N 3.45Å
246D91.8Very high89.3Confident65 Ų6550.2 Ų50.235%0.34825%0.25SS..Hα-helixtrans-66-44.1-177.4-64.4-21.2000111.2Q242 D243 T248 N249 N250Q242-D246 PolarHBondContact NE2-OD1 3.14Å; Q242-D246 VanDerWaalsContact O-CG 3.32Å; Q242-D246 PolarHBondContact O-N 3.09Å; D243-D246 PolarHBondContact O-N 2.98Å; D246-T248 VanDerWaalsContact C-N 3.34Å; D246-T248 PolarHBondContact O-N 3.49Å; D246-N249 PolarHBondContact O-N 3.12Å; D246-N250 WeakPolarHBondContact O-CB 3.44Å; D246-N250 VanDerWaalsContact O-CG 3.28Å; D246-N250 PolarHBondContact O-N 2.93Å; D246-N250 PolarHBondContact O-ND2 3.23Å
247V91.9Very high89.6Confident34 Ų3452.1 Ų52.121%0.20626%0.256CS..Hα-helixtrans-62.8-41.9173179.70000111N135 D243 N249 V251 H252N135-V247 WeakPolarHBondContact OD1-CG1 3.39Å; D243-V247 WeakPolarHBondContact O-CG2 3.42Å; D243-V247 PolarHBondContact O-N 3.22Å; V247-N249 VanDerWaalsContact C-N 3.27Å; V247-N249 PolarHBondContact O-N 2.95Å; V247-V251 HydrophobicContact CG1-CB 4.24Å; V247-V251 HydrophobicContact CG1-CG2 4.13Å; V247-V251 WeakPolarHBondContact O-CA 3.4Å; V247-V251 VanDerWaalsContact O-CB 3.3Å; V247-V251 WeakPolarHBondContact O-CB 3.15Å; V247-V251 PolarHBondContact O-N 2.83Å; V247-H252 PolarHBondContact O-N 3.11Å
248T92.8Very high90Very high2 Ų254.3 Ų54.31%0.01227%0.273CS..Iπ-helixtrans-59.2-40.8175.3-59.80000111.7F85 Q106 N135 L244 K245 D246 Y253F85-T248 HydrophobicContact CE1-CG2 4.23Å; Q106-T248 WeakPolarHBondContact CA-OG1 3.37Å; Q106-T248 PolarHBondContact O-OG1 3.01Å; Q106-T248 VanDerWaalsContact O-OG1 3.12Å; N135-T248 PolarHBondContact ND2-OG1 3.13Å; N135-T248 VanDerWaalsContact ND2-OG1 3.09Å; L244-T248 WeakPolarHBondContact O-CB 3.29Å; L244-T248 PolarHBondContact O-N 3.09Å; L244-T248 VanDerWaalsContact O-N 3.13Å; L244-T248 PolarHBondContact O-OG1 3.15Å; K245-T248 WeakPolarHBondContact O-CB 3.33Å; K245-T248 PolarHBondContact O-N 3.18Å; D246-T248 VanDerWaalsContact C-N 3.34Å; D246-T248 PolarHBondContact O-N 3.49Å; T248-Y253 VanDerWaalsContact O-CB 3.26Å; T248-Y253 WeakPolarHBondContact O-CB 3.4Å; T248-Y253 PolarHBondContact O-N 3.09Å
249N91.8Very high90.5Very high46 Ų4652.3 Ų52.325%0.24627%0.265CS..Iπ-helixtrans-73.7-53.6-179.8-168.870.6000112.1R104 K245 D246 V247 Y253 E254R104-N249 PolarHBondContact NH1-OD1 3.01Å; R104-N249 PolarHBondContact NH2-OD1 3.19Å; K245-N249 WeakPolarHBondContact O-CB 3.29Å; K245-N249 PolarHBondContact O-N 3.45Å; D246-N249 PolarHBondContact O-N 3.12Å; V247-N249 VanDerWaalsContact C-N 3.27Å; V247-N249 PolarHBondContact O-N 2.95Å; N249-Y253 WeakPolarHBondContact O-CB 3.38Å; N249-E254 PolarHBondContact O-N 2.89Å
250N91.5Very high90.8Very high104 Ų10452.6 Ų52.656%0.55626%0.26SS*.Iπ-helixtrans-82.6-23.8-167.2-60.4-24.4000113.2D246D246-N250 WeakPolarHBondContact O-CB 3.44Å; D246-N250 VanDerWaalsContact O-CG 3.28Å; D246-N250 PolarHBondContact O-N 2.93Å; D246-N250 PolarHBondContact O-ND2 3.23Å
251V91.8Very high90.8Very high66 Ų6655.8 Ų55.840%0.428%0.277SS..Iπ-helixtrans-109.1-66.6-179.1-174.70000109.9V247 N255V247-V251 HydrophobicContact CG1-CB 4.24Å; V247-V251 HydrophobicContact CG1-CG2 4.13Å; V247-V251 WeakPolarHBondContact O-CA 3.4Å; V247-V251 VanDerWaalsContact O-CB 3.3Å; V247-V251 WeakPolarHBondContact O-CB 3.15Å; V247-V251 PolarHBondContact O-N 2.83Å; V251-N255 WeakPolarHBondContact O-CB 3.43Å; V251-N255 PolarHBondContact O-N 3.21Å; V251-N255 PolarHBondContact O-ND2 3.18Å
252H93.1Very high90.7Very high15 Ų1555.2 Ų55.27%0.06928%0.281CS..Iπ-helixtrans-68.9-48.8-169.6-64.1-58.5000112.9F85 H131 E132 K133 N135 V247 Y256F85-H252 HydrophobicContact CZ-CB 4.12Å; H131-H252 PolarHBondContact O-CE1 3.39Å; E132-H252 PolarHBondContact O-ND1 2.89Å; K133-H252 WeakPolarHBondContact O-CB 3.28Å; N135-H252 PolarHBondContact N-NE2 3.4Å; N135-H252 PolarHBondContact OD1-NE2 2.88Å; V247-H252 PolarHBondContact O-N 3.11Å; H252-Y256 PolarHBondContact O-N 3.02Å
253Y93.3Very high90.3Very high1 Ų152.3 Ų52.30%0.00428%0.275CS..Iπ-helixtrans-69.6-45.8179.7173.4-105.7000112F85 Y88 L89 E92 T248 N249 N255 Y256 R257F85-Y253 HydrophobicContact CB-CD2 4.37Å; F85-Y253 AromaticContact CD1-CD2 3.89Å; F85-Y253 HydrophobicContact CD1-CD2 3.89Å; F85-Y253 HydrophobicContact CG-CD2 4.36Å; Y88-Y253 HydrophobicContact CD1-CD2 4.24Å; Y88-Y253 AromaticContact CD1-CE1 3.94Å; Y88-Y253 HydrophobicContact CD1-CE1 3.94Å; Y88-Y253 AromaticContact CD1-CE2 3.56Å; Y88-Y253 HydrophobicContact CD1-CE2 3.56Å; Y88-Y253 AromaticContact CD1-CZ 3.39Å; Y88-Y253 WeakPolarHBondContact CD1-OH 3.32Å; Y88-Y253 HydrophobicContact CE1-CD1 4.46Å; Y88-Y253 AromaticContact CE1-CE1 3.85Å; Y88-Y253 HydrophobicContact CE1-CE1 3.85Å; Y88-Y253 HydrophobicContact CE1-CE2 4.31Å; Y88-Y253 AromaticContact CE1-CZ 3.78Å; Y88-Y253 HydrophobicContact CG-CE2 4.38Å; L89-Y253 WeakPolarHBondContact CA-OH 3.33Å; L89-Y253 HydrophobicContact CB-CE2 4.32Å; E92-Y253 PolarHBondContact OE2-OH 3.34Å; T248-Y253 VanDerWaalsContact O-CB 3.26Å; T248-Y253 WeakPolarHBondContact O-CB 3.4Å; T248-Y253 PolarHBondContact O-N 3.09Å; N249-Y253 WeakPolarHBondContact O-CB 3.38Å; Y253-N255 VanDerWaalsContact C-N 3.31Å; Y253-N255 PolarHBondContact O-N 2.65Å; Y253-Y256 CarbonylContact O-C 3.59Å; Y253-Y256 WeakPolarHBondContact O-CA 3.32Å; Y253-Y256 WeakPolarHBondContact O-CB 3.39Å; Y253-Y256 PolarHBondContact O-N 3.31Å; Y253-Y256 VanDerWaalsContact O-N 3.09Å; Y253-R257 VanDerWaalsContact O-CB 3.31Å; Y253-R257 WeakPolarHBondContact O-CB 3.45Å; Y253-R257 PolarHBondContact O-N 2.85Å
254E91.3Very high89.5Confident58 Ų5855.3 Ų55.327%0.27129%0.294SS..Hα-helixtrans-63.2-35.5176.9-76.3-54.6135.800112.8N249 R257 S258N249-E254 PolarHBondContact O-N 2.89Å; E254-R257 PolarHBondContact O-N 2.99Å; E254-R257 IonicContact OE2-NH1 2.73Å; E254-R257 PolarHBondContact OE2-NH1 2.98Å; E254-S258 WeakPolarHBondContact O-CB 3.47Å; E254-S258 PolarHBondContact O-N 3.49Å; E254-S258 PolarHBondContact O-OG 3.41Å
255N91.5Very high88.3Confident81 Ų8159.4 Ų59.443%0.43332%0.32SS..Hα-helixtrans-65.2-40.2172.2-75.3-28.9000111.6V251 Y253 R259V251-N255 WeakPolarHBondContact O-CB 3.43Å; V251-N255 PolarHBondContact O-N 3.21Å; V251-N255 PolarHBondContact O-ND2 3.18Å; Y253-N255 VanDerWaalsContact C-N 3.31Å; Y253-N255 PolarHBondContact O-N 2.65Å; N255-R259 WeakPolarHBondContact O-CB 3.48Å; N255-R259 VanDerWaalsContact O-CG 3.29Å; N255-R259 WeakPolarHBondContact O-CG 3.43Å; N255-R259 PolarHBondContact O-N 3.37Å; N255-R259 VanDerWaalsContact O-N 3.11Å; N255-R259 PolarHBondContact O-NE 2.78Å
256Y92Very high86.7Confident25 Ų2563.8 Ų63.810%0.09834%0.335CS..Hα-helixtrans-63.2-50.4174179.9-91.6000111.2D82 F85 E86 L89 H252 Y253 S258 R259 K260D82-Y256 HydrophobicContact CB-CE2 4.18Å; F85-Y256 HydrophobicContact CB-CD1 3.57Å; F85-Y256 HydrophobicContact CB-CD2 4.27Å; F85-Y256 HydrophobicContact CB-CE1 3.74Å; F85-Y256 HydrophobicContact CB-CE2 4.41Å; F85-Y256 HydrophobicContact CB-CG 3.86Å; F85-Y256 HydrophobicContact CD2-CD2 4.08Å; F85-Y256 AromaticContact CD2-CG 4Å; F85-Y256 HydrophobicContact CD2-CG 4Å; F85-Y256 HydrophobicContact CG-CD1 4.38Å; F85-Y256 HydrophobicContact CG-CG 4.25Å; E86-Y256 PolarHBondContact OE2-OH 3.41Å; L89-Y256 HydrophobicContact CD2-CE1 4.41Å; H252-Y256 PolarHBondContact O-N 3.02Å; Y253-Y256 CarbonylContact O-C 3.59Å; Y253-Y256 WeakPolarHBondContact O-CA 3.32Å; Y253-Y256 WeakPolarHBondContact O-CB 3.39Å; Y253-Y256 PolarHBondContact O-N 3.31Å; Y253-Y256 VanDerWaalsContact O-N 3.09Å; Y256-S258 PolarHBondContact O-N 3.13Å; Y256-R259 PolarHBondContact O-N 2.7Å; Y256-K260 HydrophobicContact CE1-CB 4.46Å; Y256-K260 WeakPolarHBondContact O-CB 3.22Å; Y256-K260 PolarHBondContact O-N 3.44Å
257R92.1Very high84.7Confident68 Ų6866.7 Ų66.726%0.25735%0.351SS..Hα-helixtrans-58.2-48.2179179170.5180-87.50.8111.6L89 E92 Y253 E254 R259 K260 L261L89-R257 HydrophobicContact CD1-CB 4.46Å; L89-R257 HydrophobicContact CD1-CG 3.82Å; E92-R257 IonicContact OE1-CZ 3.44Å; E92-R257 IonicContact OE1-NE 3.49Å; E92-R257 PolarHBondContact OE1-NE 3.07Å; E92-R257 VanDerWaalsContact OE1-NE 3.09Å; E92-R257 IonicContact OE1-NH2 3.91Å; E92-R257 PolarHBondContact OE1-NH2 3.21Å; E92-R257 IonicContact OE2-NE 3.09Å; Y253-R257 VanDerWaalsContact O-CB 3.31Å; Y253-R257 WeakPolarHBondContact O-CB 3.45Å; Y253-R257 PolarHBondContact O-N 2.85Å; E254-R257 PolarHBondContact O-N 2.99Å; E254-R257 IonicContact OE2-NH1 2.73Å; E254-R257 PolarHBondContact OE2-NH1 2.98Å; R257-R259 PolarHBondContact O-N 3.47Å; R257-K260 PolarHBondContact O-N 2.91Å; R257-L261 HydrophobicContact CG-CD1 3.83Å; R257-L261 HydrophobicContact CG-CG 4.4Å; R257-L261 WeakPolarHBondContact O-CB 3.49Å; R257-L261 VanDerWaalsContact O-CG 3.28Å; R257-L261 WeakPolarHBondContact O-CG 3.29Å; R257-L261 PolarHBondContact O-N 2.49Å
258S89.9Confident82.5Confident67 Ų6767.9 Ų67.947%0.46937%0.37SS..Hα-helixtrans-60-46.2177.1-62.20000111.6E254 Y256 A262E254-S258 WeakPolarHBondContact O-CB 3.47Å; E254-S258 PolarHBondContact O-N 3.49Å; E254-S258 PolarHBondContact O-OG 3.41Å; Y256-S258 PolarHBondContact O-N 3.13Å; S258-A262 WeakPolarHBondContact O-CB 3.43Å; S258-A262 PolarHBondContact O-N 3.35Å
259R89.5Confident80.3Confident114 Ų11472 Ų7243%0.4340%0.395SS..Hα-helixtrans-62.1-43.3176-76.4-174.8-74.6-1570.5112.1E132 N255 Y256 R257 A263E132-R259 IonicContact OE2-CZ 3.18Å; E132-R259 IonicContact OE2-NH1 3.57Å; E132-R259 PolarHBondContact OE2-NH1 2.9Å; N255-R259 WeakPolarHBondContact O-CB 3.48Å; N255-R259 VanDerWaalsContact O-CG 3.29Å; N255-R259 WeakPolarHBondContact O-CG 3.43Å; N255-R259 PolarHBondContact O-N 3.37Å; N255-R259 VanDerWaalsContact O-N 3.11Å; N255-R259 PolarHBondContact O-NE 2.78Å; Y256-R259 PolarHBondContact O-N 2.7Å; R257-R259 PolarHBondContact O-N 3.47Å; R259-A263 WeakPolarHBondContact O-CB 2.81Å; R259-A263 PolarHBondContact O-N 3.01Å
260K88.1Confident77.9Confident77 Ų7775.7 Ų75.734%0.33542%0.415SS..Hα-helixtrans-67.1-47-179-162.879.3-178.1-141.90111.7E86 L89 Y256 R257 A263 V264E86-K260 VanDerWaalsContact CD-NZ 3.34Å; E86-K260 IonicContact OE1-NZ 3.39Å; E86-K260 PolarHBondContact OE1-NZ 3.09Å; E86-K260 VanDerWaalsContact OE2-CE 3.32Å; E86-K260 WeakPolarHBondContact OE2-CE 3.47Å; E86-K260 IonicContact OE2-NZ 2.98Å; E86-K260 PolarHBondContact OE2-NZ 3.28Å; L89-K260 HydrophobicContact CD2-CB 4.09Å; L89-K260 HydrophobicContact CD2-CG 3.91Å; Y256-K260 HydrophobicContact CE1-CB 4.46Å; Y256-K260 WeakPolarHBondContact O-CB 3.22Å; Y256-K260 PolarHBondContact O-N 3.44Å; R257-K260 PolarHBondContact O-N 2.91Å; K260-A263 PolarHBondContact O-N 2.93Å; K260-V264 WeakPolarHBondContact O-CG2 3.44Å; K260-V264 PolarHBondContact O-N 2.89Å; K260-V264 VanDerWaalsContact O-N 3.07Å
261L85.1Confident75.6Confident78 Ų7878.2 Ų78.241%0.40843%0.428SS..Hα-helixtrans-66.2-38.7178.1-67.9175.8000111.8R257 V264 T265R257-L261 HydrophobicContact CG-CD1 3.83Å; R257-L261 HydrophobicContact CG-CG 4.4Å; R257-L261 WeakPolarHBondContact O-CB 3.49Å; R257-L261 VanDerWaalsContact O-CG 3.28Å; R257-L261 WeakPolarHBondContact O-CG 3.29Å; R257-L261 PolarHBondContact O-N 2.49Å; L261-V264 PolarHBondContact O-N 3.48Å; L261-T265 PolarHBondContact O-N 3.24Å; L261-T265 PolarHBondContact O-OG1 3.43Å
262A85.9Confident73.3Confident41 Ų4180.9 Ų80.934%0.33944%0.44SS..Hα-helixtrans-63.4-40.7173.200000112S258 V264 T265 Y266S258-A262 WeakPolarHBondContact O-CB 3.43Å; S258-A262 PolarHBondContact O-N 3.35Å; A262-V264 VanDerWaalsContact C-N 3.3Å; A262-V264 PolarHBondContact O-N 3.37Å; A262-T265 WeakPolarHBondContact CA-OG1 3.42Å; A262-T265 PolarHBondContact O-N 2.95Å; A262-T265 PolarHBondContact O-OG1 3.41Å; A262-Y266 WeakPolarHBondContact O-CB 3.47Å; A262-Y266 WeakPolarHBondContact O-CD2 3.26Å; A262-Y266 PolarHBondContact O-N 3.49Å
263A80.5Confident70.9Confident44 Ų4489.4 Ų89.436%0.36448%0.477SS..Hα-helixtrans-63.4-37.6175.900000112.1R259 K260 N267R259-A263 WeakPolarHBondContact O-CB 2.81Å; R259-A263 PolarHBondContact O-N 3.01Å; K260-A263 PolarHBondContact O-N 2.93Å; A263-N267 VanDerWaalsContact O-CB 3.26Å; A263-N267 WeakPolarHBondContact O-CB 3.05Å; A263-N267 VanDerWaalsContact O-CG 3.28Å; A263-N267 PolarHBondContact O-N 3.39Å
264V72.8Confident68.6Low98 Ų9895.7 Ų95.759%0.59451%0.511SS*.Hα-helixtrans-65.4-40.8174.9173.90000111.2K260 L261 A262K260-V264 WeakPolarHBondContact O-CG2 3.44Å; K260-V264 PolarHBondContact O-N 2.89Å; K260-V264 VanDerWaalsContact O-N 3.07Å; L261-V264 PolarHBondContact O-N 3.48Å; A262-V264 VanDerWaalsContact C-N 3.3Å; A262-V264 PolarHBondContact O-N 3.37Å
265T65.7Low66.2Low91 Ų91102.8 Ų102.856%0.55854%0.541SS*.Hα-helixtrans-70.1-40.9177.452.80000112.5L261 A262 G268 V269L261-T265 PolarHBondContact O-N 3.24Å; L261-T265 PolarHBondContact O-OG1 3.43Å; A262-T265 WeakPolarHBondContact CA-OG1 3.42Å; A262-T265 PolarHBondContact O-N 2.95Å; A262-T265 PolarHBondContact O-OG1 3.41Å; T265-G268 PolarHBondContact O-N 3.4Å; T265-V269 VanDerWaalsContact O-CG2 3.28Å; T265-V269 WeakPolarHBondContact O-CG2 3.37Å
266Y57.5Low63.7Low164 Ų164102.6 Ų102.664%0.64356%0.558SS**Hα-helixtrans-75-39.4-178.9-89.1-87.3000114.2A262 G268 V269A262-Y266 WeakPolarHBondContact O-CB 3.47Å; A262-Y266 WeakPolarHBondContact O-CD2 3.26Å; A262-Y266 PolarHBondContact O-N 3.49Å; Y266-G268 PolarHBondContact O-N 2.75Å; Y266-G268 VanDerWaalsContact O-N 3.11Å; Y266-V269 PolarHBondContact O-N 3.36Å
267N49.8Very low61Low126 Ų126110.7 Ų110.767%0.67460%0.597SS**Hα-helixtrans-65.2-14.3175-72.9-9.8000112.6A263A263-N267 VanDerWaalsContact O-CB 3.26Å; A263-N267 WeakPolarHBondContact O-CB 3.05Å; A263-N267 VanDerWaalsContact O-CG 3.28Å; A263-N267 PolarHBondContact O-N 3.39Å
268G46.4Very low58.9Low59 Ų59115.1 Ų115.161%0.60862%0.624SS**THydrogen-bonded Turntrans-81.7-11168.600000115.1T265 Y266T265-G268 PolarHBondContact O-N 3.4Å; Y266-G268 PolarHBondContact O-N 2.75Å; Y266-G268 VanDerWaalsContact O-N 3.11Å
269V45.9Very low57Low88 Ų88118.6 Ų118.653%0.53364%0.643SS.*THydrogen-bonded Turntrans-102.9-26-174.3-165.10000112.9T265 Y266 N271 N272T265-V269 VanDerWaalsContact O-CG2 3.28Å; T265-V269 WeakPolarHBondContact O-CG2 3.37Å; Y266-V269 PolarHBondContact O-N 3.36Å; V269-N271 VanDerWaalsContact C-N 3.25Å; V269-N271 PolarHBondContact O-N 2.95Å; V269-N272 PolarHBondContact O-N 2.93Å; V269-N272 VanDerWaalsContact O-N 3.13Å
270D43.1Very low54.8Low124 Ų124121.3 Ų121.366%0.66366%0.658SS**THydrogen-bonded Turntrans-73.2-11.5-175.4-80.5-44.6000115
271N43.2Very low52.9Low157 Ų157121.4 Ų121.484%0.8467%0.668SS**THydrogen-bonded Turntrans-91.40.8171.1-90-18.5000114.5V269V269-N271 VanDerWaalsContact C-N 3.25Å; V269-N271 PolarHBondContact O-N 2.95Å
272N43Very low51.4Low123 Ų123122.4 Ų122.466%0.65868%0.68SS**  trans-14163.8-175.3-126.4-1.4000113.3V269 N274V269-N272 PolarHBondContact O-N 2.93Å; V269-N272 VanDerWaalsContact O-N 3.13Å; N272-N274 PolarHBondContact O-N 2.9Å
273K42.1Very low49.8Very low193 Ų193127 Ų12784%0.83970%0.697SS**  trans-71.966154.5-76.2-175.3179.5172.10109.9
274N45.8Very low49Very low134 Ų134126.9 Ų126.972%0.71770%0.697SS**SBendtrans-166.8126.9151.8-101.1-20.3000111.3N272N272-N274 PolarHBondContact O-N 2.9Å
275K39.8Very low48.2Very low207 Ų207128 Ų12890%0.970%0.696SS**  trans80107.5173.9-63.4-178.7172.8178.40116.2
276G40Very low47.9Very low76 Ų76129.7 Ų129.778%0.78470%0.698SS**  trans-64.1138.9159.300000111.7
277Q35.6Very low48.2Very low196 Ų196128.2 Ų128.292%0.91670%0.698SS**  -174.5136.5127.1-116.1172.9-2.600108.4
278L48.1Very low49Very low161 Ų161127.6 Ų127.684%0.84369%0.691SS**  trans-57.9155.3168.1-74.2112.6000110.9
279T48.4Very low50Low139 Ų139131.1 Ų131.185%0.85369%0.691SS**  trans88.890.2172.676.20000116.2
280K44.5Very low51.1Low171 Ų171134.8 Ų134.874%0.74370%0.695SS**  trans-129.9132.6148.2-79.3-171.1177.5-179.10109.3
281S48.1Very low52.7Low80 Ų80138.6 Ų138.656%0.55970%0.7SS**  trans-66.2142.5-177.9178.60000111.1L283 A284S281-L283 PolarHBondContact O-N 3.3Å; S281-A284 PolarHBondContact O-N 2.97Å
282P52.8Low54.2Low99 Ų99137.5 Ų137.564%0.64369%0.69SS**Hα-helixtrans-52.6-22.8-179.8-27.734.6000115.2A284 Q285 M286P282-A284 VanDerWaalsContact C-N 3.35Å; P282-Q285 PolarHBondContact O-N 3.34Å; P282-M286 PolarHBondContact O-N 3.29Å
283L53.7Low55.6Low136 Ų136137.4 Ų137.471%0.71269%0.686SS**Hα-helixtrans-68.4-33177.8-145.579.1000112.7S281 E287S281-L283 PolarHBondContact O-N 3.3Å; L283-E287 PolarHBondContact O-N 3.41Å
284A62Low57.3Low42 Ų42132.4 Ų132.435%0.34767%0.671SS.*Hα-helixtrans-73.5-33.4179.300000111.9S281 P282 E287 E288S281-A284 PolarHBondContact O-N 2.97Å; P282-A284 VanDerWaalsContact C-N 3.35Å; A284-E287 PolarHBondContact O-N 2.78Å; A284-E288 WeakPolarHBondContact O-CB 3.36Å; A284-E288 PolarHBondContact O-N 2.82Å; A284-E288 VanDerWaalsContact O-N 3.07Å
285Q57.8Low59Low123 Ų123128.8 Ų128.858%0.57566%0.66SS**Hα-helixtrans-66.1-41.7174.6-81177.3-29.600111.7P282 E287 E288 E289P282-Q285 PolarHBondContact O-N 3.34Å; Q285-E287 VanDerWaalsContact C-N 3.3Å; Q285-E287 PolarHBondContact O-N 3Å; Q285-E288 PolarHBondContact O-N 3.25Å; Q285-E289 WeakPolarHBondContact O-CG 3.36Å; Q285-E289 PolarHBondContact O-N 2.78Å
286M58.5Low61Low125 Ų125126.7 Ų126.762%0.61665%0.651SS**Hα-helixtrans-69.3-29.8179.4-152.8-178.9-169.700112.6P282 R290P282-M286 PolarHBondContact O-N 3.29Å; M286-R290 VanDerWaalsContact O-CB 3.31Å; M286-R290 WeakPolarHBondContact O-CB 3.38Å; M286-R290 PolarHBondContact O-N 3.45Å; M286-R290 VanDerWaalsContact O-N 3.13Å
287E64.9Low62.6Low134 Ų134128 Ų12863%0.62664%0.638SS**Hα-helixtrans-72-38.3173.3-124.2-179.6173.800112.1L283 A284 Q285 R291L283-E287 PolarHBondContact O-N 3.41Å; A284-E287 PolarHBondContact O-N 2.78Å; Q285-E287 VanDerWaalsContact C-N 3.3Å; Q285-E287 PolarHBondContact O-N 3Å; E287-R291 WeakPolarHBondContact O-CB 3.19Å; E287-R291 PolarHBondContact O-N 3.46Å
288E66.4Low64.8Low113 Ų113125.1 Ų125.153%0.52862%0.622SS.*Hα-helixtrans-70-45178.1-162.6157.6-154.200111.3A284 Q285 R290 R291 E292A284-E288 WeakPolarHBondContact O-CB 3.36Å; A284-E288 PolarHBondContact O-N 2.82Å; A284-E288 VanDerWaalsContact O-N 3.07Å; Q285-E288 PolarHBondContact O-N 3.25Å; E288-R290 PolarHBondContact O-N 3.24Å; E288-R291 WeakPolarHBondContact O-CB 3.39Å; E288-R291 PolarHBondContact O-N 2.95Å; E288-R291 VanDerWaalsContact O-N 3.08Å; E288-E292 PolarHBondContact O-N 3.17Å
289E66.9Low66.7Low133 Ų133123.8 Ų123.862%0.62161%0.61SS**Hα-helixtrans-61.9-40.4173.2-75.3-175.8169.900112.5Q285 R291 E292 H293Q285-E289 WeakPolarHBondContact O-CG 3.36Å; Q285-E289 PolarHBondContact O-N 2.78Å; E289-R291 VanDerWaalsContact C-N 3.29Å; E289-R291 PolarHBondContact O-N 3.42Å; E289-E292 PolarHBondContact O-N 3.06Å; E289-H293 WeakPolarHBondContact O-CB 3.17Å; E289-H293 PolarHBondContact O-N 3.36Å
290R69.4Low68.2Low164 Ų164122.6 Ų122.662%0.61960%0.596SS**Hα-helixtrans-62.1-40.6173.8-174-173-68163.4-0.8110.5M286 E288 H293 V294M286-R290 VanDerWaalsContact O-CB 3.31Å; M286-R290 WeakPolarHBondContact O-CB 3.38Å; M286-R290 PolarHBondContact O-N 3.45Å; M286-R290 VanDerWaalsContact O-N 3.13Å; E288-R290 PolarHBondContact O-N 3.24Å; R290-H293 PolarHBondContact O-N 2.98Å; R290-V294 WeakPolarHBondContact O-CB 3.44Å; R290-V294 WeakPolarHBondContact O-CG2 3.35Å; R290-V294 PolarHBondContact O-N 2.84Å
291R75.7Confident69.7Low204 Ų204120.7 Ų120.777%0.7759%0.59SS**Hα-helixtrans-68.1-40.3179.9-155.9176.1-165.8179.74.1111.7E287 E288 E289 V294 A295E287-R291 WeakPolarHBondContact O-CB 3.19Å; E287-R291 PolarHBondContact O-N 3.46Å; E288-R291 WeakPolarHBondContact O-CB 3.39Å; E288-R291 PolarHBondContact O-N 2.95Å; E288-R291 VanDerWaalsContact O-N 3.08Å; E289-R291 VanDerWaalsContact C-N 3.29Å; E289-R291 PolarHBondContact O-N 3.42Å; R291-V294 PolarHBondContact O-N 3.27Å; R291-A295 WeakPolarHBondContact O-CB 3.29Å; R291-A295 PolarHBondContact O-N 3.45Å
292E75.1Confident71.4Confident134 Ų134122 Ų12263%0.62659%0.588SS**Hα-helixtrans-66.8-42.5174.2-73.6-169.8164.100112.2E288 E289 V294 A295 K296E288-E292 PolarHBondContact O-N 3.17Å; E289-E292 PolarHBondContact O-N 3.06Å; E292-V294 VanDerWaalsContact C-N 3.35Å; E292-V294 PolarHBondContact O-N 3.32Å; E292-A295 PolarHBondContact O-N 3.07Å; E292-K296 WeakPolarHBondContact O-CB 3.36Å; E292-K296 PolarHBondContact O-N 3.11Å
293H72.9Confident72.9Confident121 Ų121122 Ų12256%0.5658%0.58SS**Hα-helixtrans-63-42.7175.8-170.4-80.6000111.3E289 R290 K296 M297E289-H293 WeakPolarHBondContact O-CB 3.17Å; E289-H293 PolarHBondContact O-N 3.36Å; R290-H293 PolarHBondContact O-N 2.98Å; H293-K296 PolarHBondContact O-N 2.72Å; H293-M297 WeakPolarHBondContact O-CB 3.45Å; H293-M297 VanDerWaalsContact O-CG 3.25Å; H293-M297 WeakPolarHBondContact O-CG 3.5Å; H293-M297 PolarHBondContact O-N 3.39Å
294V76.5Confident74Confident88 Ų88121.9 Ų121.953%0.53358%0.577SS.*Hα-helixtrans-63-41.7174.71700000111.2R290 R291 E292 K296 M297 K298R290-V294 WeakPolarHBondContact O-CB 3.44Å; R290-V294 WeakPolarHBondContact O-CG2 3.35Å; R290-V294 PolarHBondContact O-N 2.84Å; R291-V294 PolarHBondContact O-N 3.27Å; E292-V294 VanDerWaalsContact C-N 3.35Å; E292-V294 PolarHBondContact O-N 3.32Å; V294-K296 VanDerWaalsContact C-N 3.35Å; V294-K296 PolarHBondContact O-N 3.31Å; V294-M297 PolarHBondContact O-N 2.88Å; V294-K298 WeakPolarHBondContact O-CB 3.45Å; V294-K298 PolarHBondContact O-N 3.23Å
295A82.3Confident75Confident59 Ų59126.1 Ų126.149%0.48859%0.59SS.*Hα-helixtrans-64.2-39.7176.100000112.1R291 E292 K298 K299R291-A295 WeakPolarHBondContact O-CB 3.29Å; R291-A295 PolarHBondContact O-N 3.45Å; E292-A295 PolarHBondContact O-N 3.07Å; A295-K298 PolarHBondContact O-N 2.98Å; A295-K299 WeakPolarHBondContact O-CB 3.25Å; A295-K299 PolarHBondContact O-N 3.13Å
296K81.9Confident76.3Confident162 Ų162126.2 Ų126.270%0.70459%0.59SS**Hα-helixtrans-68.8-41.9177.7-162.9175.6-176178.90112E292 H293 V294 K298 K299 M300E292-K296 WeakPolarHBondContact O-CB 3.36Å; E292-K296 PolarHBondContact O-N 3.11Å; H293-K296 PolarHBondContact O-N 2.72Å; V294-K296 VanDerWaalsContact C-N 3.35Å; V294-K296 PolarHBondContact O-N 3.31Å; K296-K298 VanDerWaalsContact C-N 3.34Å; K296-K299 PolarHBondContact O-N 2.94Å; K296-M300 WeakPolarHBondContact O-CB 3.23Å; K296-M300 PolarHBondContact O-N 3.49Å
297M73.1Confident77.5Confident103 Ų103123.8 Ų123.851%0.50758%0.582SS.*Hα-helixtrans-61.1-43.9173.2-73-61.8-67.300111.2H293 V294 K299 M300 E301H293-M297 WeakPolarHBondContact O-CB 3.45Å; H293-M297 VanDerWaalsContact O-CG 3.25Å; H293-M297 WeakPolarHBondContact O-CG 3.5Å; H293-M297 PolarHBondContact O-N 3.39Å; V294-M297 PolarHBondContact O-N 2.88Å; M297-K299 VanDerWaalsContact C-N 3.34Å; M297-K299 PolarHBondContact O-N 2.84Å; M297-M300 PolarHBondContact O-N 3.17Å; M297-E301 WeakPolarHBondContact O-CB 3.26Å; M297-E301 PolarHBondContact O-N 3.04Å
298K82.6Confident78.5Confident136 Ų136124 Ų12459%0.59158%0.581SS**Hα-helixtrans-65.2-37177.6-164.1173.3-174.9177.30112.5V294 A295 K296 M302V294-K298 WeakPolarHBondContact O-CB 3.45Å; V294-K298 PolarHBondContact O-N 3.23Å; A295-K298 PolarHBondContact O-N 2.98Å; K296-K298 VanDerWaalsContact C-N 3.34Å; K298-M302 WeakPolarHBondContact O-CG 3.44Å; K298-M302 PolarHBondContact O-N 3.1Å
299K87Confident79.4Confident133 Ų133123.5 Ų123.558%0.57858%0.579SS**Hα-helixtrans-65.8-44.2173.7-171.1-177.2178.1-168.60111.5A295 K296 M297 E301 M302 E303A295-K299 WeakPolarHBondContact O-CB 3.25Å; A295-K299 PolarHBondContact O-N 3.13Å; K296-K299 PolarHBondContact O-N 2.94Å; M297-K299 VanDerWaalsContact C-N 3.34Å; M297-K299 PolarHBondContact O-N 2.84Å; K299-E301 VanDerWaalsContact C-N 3.32Å; K299-E301 PolarHBondContact O-N 3.34Å; K299-M302 PolarHBondContact O-N 3.41Å; K299-E303 VanDerWaalsContact CE-OE1 3.25Å; K299-E303 WeakPolarHBondContact CE-OE1 3.47Å; K299-E303 IonicContact NZ-OE1 3.97Å; K299-E303 WeakPolarHBondContact O-CG 3.34Å; K299-E303 PolarHBondContact O-N 2.89Å
300M80.6Confident80.2Confident114 Ų114123.3 Ų123.356%0.56258%0.58SS**Hα-helixtrans-65.1-37177.6-165.7173.1-166.900111.8K296 M297 E303 M304K296-M300 WeakPolarHBondContact O-CB 3.23Å; K296-M300 PolarHBondContact O-N 3.49Å; M297-M300 PolarHBondContact O-N 3.17Å; M300-E303 PolarHBondContact O-N 3.46Å; M300-M304 WeakPolarHBondContact O-CB 3.38Å; M300-M304 WeakPolarHBondContact O-CG 3.49Å; M300-M304 PolarHBondContact O-N 3.33Å
301E75.7Confident81Confident132 Ų132121.8 Ų121.862%0.61758%0.577SS**Hα-helixtrans-63.1-46.6173.4-172174.9-159.300111.3M297 K299 E303 M304 E305M297-E301 WeakPolarHBondContact O-CB 3.26Å; M297-E301 PolarHBondContact O-N 3.04Å; K299-E301 VanDerWaalsContact C-N 3.32Å; K299-E301 PolarHBondContact O-N 3.34Å; E301-E303 PolarHBondContact O-N 2.81Å; E301-M304 PolarHBondContact O-N 3.34Å; E301-E305 WeakPolarHBondContact O-CB 3.39Å; E301-E305 PolarHBondContact O-N 3.06Å
302M83.8Confident81.7Confident107 Ų107115 Ų11553%0.52756%0.558SS.*Hα-helixtrans-60.9-41.8174.3-74.2179.164.900112.6K298 K299 E305 Q306K298-M302 WeakPolarHBondContact O-CG 3.44Å; K298-M302 PolarHBondContact O-N 3.1Å; K299-M302 PolarHBondContact O-N 3.41Å; M302-E305 PolarHBondContact O-N 3.3Å; M302-Q306 WeakPolarHBondContact O-CG 3.42Å; M302-Q306 PolarHBondContact O-N 2.89Å
303E84.2Confident82.3Confident99 Ų99114.9 Ų114.946%0.46356%0.556SS.*Hα-helixtrans-65.8-42.4176.6-74.8174.7-172.400111.4K299 M300 E301 Q306 V307K299-E303 VanDerWaalsContact CE-OE1 3.25Å; K299-E303 WeakPolarHBondContact CE-OE1 3.47Å; K299-E303 IonicContact NZ-OE1 3.97Å; K299-E303 WeakPolarHBondContact O-CG 3.34Å; K299-E303 PolarHBondContact O-N 2.89Å; M300-E303 PolarHBondContact O-N 3.46Å; E301-E303 PolarHBondContact O-N 2.81Å; E303-Q306 PolarHBondContact O-N 3.24Å; E303-V307 VanDerWaalsContact O-CG2 3.31Å; E303-V307 WeakPolarHBondContact O-CG2 3.44Å; E303-V307 PolarHBondContact O-N 3.36Å
304M76.7Confident83.1Confident133 Ų133113.9 Ų113.966%0.65555%0.552SS**Hα-helixtrans-64.7-39.9175-79.4-160.978.800112.3M300 E301 V307 F308M300-M304 WeakPolarHBondContact O-CB 3.38Å; M300-M304 WeakPolarHBondContact O-CG 3.49Å; M300-M304 PolarHBondContact O-N 3.33Å; E301-M304 PolarHBondContact O-N 3.34Å; M304-V307 PolarHBondContact O-N 3.21Å; M304-F308 VanDerWaalsContact O-CB 3.29Å; M304-F308 WeakPolarHBondContact O-CB 3.28Å; M304-F308 PolarHBondContact O-N 2.89Å
305E82.2Confident83.6Confident132 Ų132116.8 Ų116.862%0.61756%0.557SS**Hα-helixtrans-65.3-41.5178.1-167.3169.3-154.700111.2E301 M302 F308 E309E301-E305 WeakPolarHBondContact O-CB 3.39Å; E301-E305 PolarHBondContact O-N 3.06Å; M302-E305 PolarHBondContact O-N 3.3Å; E305-F308 PolarHBondContact O-N 2.89Å; E305-E309 WeakPolarHBondContact O-CB 3.34Å; E305-E309 PolarHBondContact O-N 2.96Å
306Q85.2Confident83.9Confident124 Ų124118.1 Ų118.158%0.57956%0.559SS**Hα-helixtrans-62.1-44.9172.9-75.8179.9-2.900112.6M302 E303 F308 E309 M310M302-Q306 WeakPolarHBondContact O-CG 3.42Å; M302-Q306 PolarHBondContact O-N 2.89Å; E303-Q306 PolarHBondContact O-N 3.24Å; Q306-F308 VanDerWaalsContact C-N 3.3Å; Q306-F308 PolarHBondContact O-N 3.48Å; Q306-E309 PolarHBondContact O-N 2.82Å; Q306-M310 WeakPolarHBondContact O-CB 3.4Å; Q306-M310 PolarHBondContact O-N 3.3Å
307V84.9Confident84.2Confident74 Ų74115 Ų11545%0.44855%0.547SS..Hα-helixtrans-64.5-38.61771720000110.9E303 M304 K311E303-V307 VanDerWaalsContact O-CG2 3.31Å; E303-V307 WeakPolarHBondContact O-CG2 3.44Å; E303-V307 PolarHBondContact O-N 3.36Å; M304-V307 PolarHBondContact O-N 3.21Å; V307-K311 WeakPolarHBondContact O-CB 3.4Å; V307-K311 WeakPolarHBondContact O-CG 3.32Å; V307-K311 PolarHBondContact O-N 3.01Å
308F84.9Confident85Confident140 Ų140115.9 Ų115.961%0.61455%0.548SS*.Hα-helixtrans-64.8-48176.1-175.7-99.1000111.1M304 E305 Q306 M310 K311 V312M304-F308 VanDerWaalsContact O-CB 3.29Å; M304-F308 WeakPolarHBondContact O-CB 3.28Å; M304-F308 PolarHBondContact O-N 2.89Å; E305-F308 PolarHBondContact O-N 2.89Å; Q306-F308 VanDerWaalsContact C-N 3.3Å; Q306-F308 PolarHBondContact O-N 3.48Å; F308-M310 VanDerWaalsContact C-N 3.31Å; F308-M310 PolarHBondContact O-N 3.26Å; F308-K311 PolarHBondContact O-N 3.05Å; F308-V312 HydrophobicContact CD1-CG2 3.94Å; F308-V312 HydrophobicContact CE1-CG2 3.59Å; F308-V312 HydrophobicContact CE2-CG2 4.28Å; F308-V312 HydrophobicContact CG-CG2 4.43Å; F308-V312 HydrophobicContact CZ-CG2 3.78Å; F308-V312 VanDerWaalsContact O-CG2 3.3Å; F308-V312 WeakPolarHBondContact O-CG2 3.43Å; F308-V312 PolarHBondContact O-N 2.91Å
309E85.6Confident85.1Confident101 Ų101115 Ų11547%0.47255%0.549SS..Hα-helixtrans-61.2-40.9178.5-157.4-166.7155.700111.5E305 Q306 V312 K313E305-E309 WeakPolarHBondContact O-CB 3.34Å; E305-E309 PolarHBondContact O-N 2.96Å; Q306-E309 PolarHBondContact O-N 2.82Å; E309-V312 PolarHBondContact O-N 3.47Å; E309-K313 WeakPolarHBondContact O-CG 3.4Å; E309-K313 PolarHBondContact O-N 3.46Å; E309-K313 WeakPolarHBondContact OE1-CE 3.5Å; E309-K313 IonicContact OE1-NZ 2.78Å; E309-K313 PolarHBondContact OE1-NZ 2.99Å
310M84.3Confident85.3Confident130 Ų130114.9 Ų114.964%0.6455%0.548SS*.Hα-helixtrans-64-44.1175.5-165.7171.769.300111.7Q306 F308 K313 E314Q306-M310 WeakPolarHBondContact O-CB 3.4Å; Q306-M310 PolarHBondContact O-N 3.3Å; F308-M310 VanDerWaalsContact C-N 3.31Å; F308-M310 PolarHBondContact O-N 3.26Å; M310-K313 PolarHBondContact O-N 3.35Å; M310-E314 PolarHBondContact O-N 3.01Å
311K85.1Confident85.7Confident132 Ų132113.9 Ų113.957%0.57455%0.545SS*.Hα-helixtrans-65.5-37.7175.5-81.7-172.5176.2-179.50112.9V307 F308 E314 K315V307-K311 WeakPolarHBondContact O-CB 3.4Å; V307-K311 WeakPolarHBondContact O-CG 3.32Å; V307-K311 PolarHBondContact O-N 3.01Å; F308-K311 PolarHBondContact O-N 3.05Å; K311-E314 PolarHBondContact O-N 3.41Å; K311-K315 WeakPolarHBondContact O-CB 3.14Å; K311-K315 PolarHBondContact O-N 2.97Å
312V90.8Very high86.2Confident61 Ų61110.9 Ų110.937%0.3754%0.539SS..Hα-helixtrans-64.6-47.4175.9169.90000109.8F308 E309 E314 K315 V316F308-V312 HydrophobicContact CD1-CG2 3.94Å; F308-V312 HydrophobicContact CE1-CG2 3.59Å; F308-V312 HydrophobicContact CE2-CG2 4.28Å; F308-V312 HydrophobicContact CG-CG2 4.43Å; F308-V312 HydrophobicContact CZ-CG2 3.78Å; F308-V312 VanDerWaalsContact O-CG2 3.3Å; F308-V312 WeakPolarHBondContact O-CG2 3.43Å; F308-V312 PolarHBondContact O-N 2.91Å; E309-V312 PolarHBondContact O-N 3.47Å; V312-E314 VanDerWaalsContact C-N 3.32Å; V312-E314 PolarHBondContact O-N 3.28Å; V312-K315 PolarHBondContact O-N 2.66Å; V312-V316 HydrophobicContact CG1-CG2 4.2Å; V312-V316 WeakPolarHBondContact O-CB 3.49Å; V312-V316 VanDerWaalsContact O-CG2 3.27Å; V312-V316 WeakPolarHBondContact O-CG2 3.29Å; V312-V316 PolarHBondContact O-N 3.41Å
313K88.4Confident86.4Confident131 Ų131112 Ų11257%0.5754%0.543SS*.Hα-helixtrans-57.2-44.7174.9-77.1175.2-175.4160.80111.8E309 M310 V316 Q317E309-K313 WeakPolarHBondContact O-CG 3.4Å; E309-K313 PolarHBondContact O-N 3.46Å; E309-K313 WeakPolarHBondContact OE1-CE 3.5Å; E309-K313 IonicContact OE1-NZ 2.78Å; E309-K313 PolarHBondContact OE1-NZ 2.99Å; M310-K313 PolarHBondContact O-N 3.35Å; K313-V316 PolarHBondContact O-N 3.42Å; K313-Q317 WeakPolarHBondContact O-CB 3.38Å; K313-Q317 PolarHBondContact O-N 2.96Å
314E89.3Confident86.6Confident101 Ų101109.2 Ų109.247%0.47254%0.537SS..Hα-helixtrans-62.7-44.2177-165.4-166.1153.600112.3M310 K311 V312 Q317 K318M310-E314 PolarHBondContact O-N 3.01Å; K311-E314 PolarHBondContact O-N 3.41Å; V312-E314 VanDerWaalsContact C-N 3.32Å; V312-E314 PolarHBondContact O-N 3.28Å; E314-Q317 PolarHBondContact O-N 3.36Å; E314-K318 WeakPolarHBondContact O-CG 3.37Å; E314-K318 PolarHBondContact O-N 3.3Å; E314-K318 VanDerWaalsContact OE1-CE 3.28Å; E314-K318 WeakPolarHBondContact OE1-CE 3.45Å; E314-K318 IonicContact OE1-NZ 3.93Å; E314-K318 PolarHBondContact OE1-NZ 3.37Å
315K86.7Confident87.3Confident149 Ų149107.5 Ų107.565%0.64853%0.527SS*.Hα-helixtrans-65.4-42.6177.8-96.3-80.3-174.61710112.5K311 V312 Q317 K318 L319K311-K315 WeakPolarHBondContact O-CB 3.14Å; K311-K315 PolarHBondContact O-N 2.97Å; V312-K315 PolarHBondContact O-N 2.66Å; K315-Q317 VanDerWaalsContact C-N 3.33Å; K315-K318 PolarHBondContact O-N 2.85Å; K315-L319 WeakPolarHBondContact O-CG 3.3Å; K315-L319 PolarHBondContact O-N 2.88Å
316V88.3Confident87.6Confident87 Ų87107.2 Ų107.253%0.52753%0.529SS..Hα-helixtrans-63.4-42.2176.71700000110.3V312 K313 L319 K320V312-V316 HydrophobicContact CG1-CG2 4.2Å; V312-V316 WeakPolarHBondContact O-CB 3.49Å; V312-V316 VanDerWaalsContact O-CG2 3.27Å; V312-V316 WeakPolarHBondContact O-CG2 3.29Å; V312-V316 PolarHBondContact O-N 3.41Å; K313-V316 PolarHBondContact O-N 3.42Å; V316-L319 PolarHBondContact O-N 2.7Å; V316-K320 PolarHBondContact O-N 2.94Å
317Q89.7Confident87.8Confident97 Ų97107.7 Ų107.745%0.45353%0.531SS..Hα-helixtrans-62.8-46.1176.1-170.759.543.200111.5K313 E314 K315 L319 K320 D321K313-Q317 WeakPolarHBondContact O-CB 3.38Å; K313-Q317 PolarHBondContact O-N 2.96Å; E314-Q317 PolarHBondContact O-N 3.36Å; K315-Q317 VanDerWaalsContact C-N 3.33Å; Q317-L319 VanDerWaalsContact C-N 3.3Å; Q317-L319 PolarHBondContact O-N 2.68Å; Q317-K320 WeakPolarHBondContact O-CB 3.31Å; Q317-K320 PolarHBondContact O-N 3.39Å; Q317-K320 VanDerWaalsContact O-N 3.17Å; Q317-D321 PolarHBondContact NE2-OD1 2.75Å; Q317-D321 VanDerWaalsContact O-CG 3.27Å; Q317-D321 PolarHBondContact O-N 2.58Å
318K88.3Confident88.1Confident121 Ų121113 Ų11353%0.52654%0.543SS..Hα-helixtrans-59.9-38.6175.5-75.8179.3-174.7169.30112.9E314 K315 S322E314-K318 WeakPolarHBondContact O-CG 3.37Å; E314-K318 PolarHBondContact O-N 3.3Å; E314-K318 VanDerWaalsContact OE1-CE 3.28Å; E314-K318 WeakPolarHBondContact OE1-CE 3.45Å; E314-K318 IonicContact OE1-NZ 3.93Å; E314-K318 PolarHBondContact OE1-NZ 3.37Å; K315-K318 PolarHBondContact O-N 2.85Å; K318-S322 WeakPolarHBondContact O-CB 3.49Å; K318-S322 PolarHBondContact O-N 3.04Å
319L85.6Confident88.2Confident117 Ų117113.8 Ų113.861%0.61354%0.542SS*.Hα-helixtrans-65.3-42.9175.9-76.7171.7000111.4K315 V316 Q317 S322 E323K315-L319 WeakPolarHBondContact O-CG 3.3Å; K315-L319 PolarHBondContact O-N 2.88Å; V316-L319 PolarHBondContact O-N 2.7Å; Q317-L319 VanDerWaalsContact C-N 3.3Å; Q317-L319 PolarHBondContact O-N 2.68Å; L319-S322 PolarHBondContact O-N 3.09Å; L319-E323 WeakPolarHBondContact O-CB 3.45Å; L319-E323 PolarHBondContact O-N 3.38Å
320K90.4Very high88.3Confident131 Ų131115.5 Ų115.557%0.5755%0.55SS*.Hα-helixtrans-62.7-42.2176.9-169.4177.2-178.7179.30112.2V316 Q317 E323 A324V316-K320 PolarHBondContact O-N 2.94Å; Q317-K320 WeakPolarHBondContact O-CB 3.31Å; Q317-K320 PolarHBondContact O-N 3.39Å; Q317-K320 VanDerWaalsContact O-N 3.17Å; K320-E323 PolarHBondContact O-N 2.99Å; K320-A324 WeakPolarHBondContact O-CB 3.34Å; K320-A324 PolarHBondContact O-N 2.84Å
321D88.9Confident88.6Confident92 Ų92114.7 Ų114.749%0.49255%0.545SS..Hα-helixtrans-66-40.4176.7-63.4-20.7000111Q317 A324 E325Q317-D321 PolarHBondContact NE2-OD1 2.75Å; Q317-D321 VanDerWaalsContact O-CG 3.27Å; Q317-D321 PolarHBondContact O-N 2.58Å; D321-A324 PolarHBondContact O-N 2.94Å; D321-E325 PolarHBondContact O-N 3.31Å
322S86.9Confident88.8Confident70 Ų70114.5 Ų114.549%0.4955%0.546SS..Hα-helixtrans-65.7-39.1175.5-175.80000112.8K318 L319 E325 L326K318-S322 WeakPolarHBondContact O-CB 3.49Å; K318-S322 PolarHBondContact O-N 3.04Å; L319-S322 PolarHBondContact O-N 3.09Å; S322-E325 PolarHBondContact O-N 3.15Å; S322-L326 WeakPolarHBondContact O-CB 3.36Å; S322-L326 PolarHBondContact O-N 2.87Å
323E87.3Confident88.7Confident129 Ų129117.5 Ų117.560%0.60356%0.557SS**Hα-helixtrans-64.2-45.3175.7-175.7178.2-161.300110.6L319 K320 E325 L326 Q327L319-E323 WeakPolarHBondContact O-CB 3.45Å; L319-E323 PolarHBondContact O-N 3.38Å; K320-E323 PolarHBondContact O-N 2.99Å; E323-E325 VanDerWaalsContact C-N 3.34Å; E323-E325 PolarHBondContact O-N 2.86Å; E323-L326 PolarHBondContact O-N 2.55Å; E323-Q327 WeakPolarHBondContact O-CB 3.35Å; E323-Q327 PolarHBondContact O-N 3.25Å
324A89.9Confident88.9Confident41 Ų41117 Ų11734%0.33956%0.555SS.*Hα-helixtrans-62-39.6176.500000112.5K320 D321 Q327 R328K320-A324 WeakPolarHBondContact O-CB 3.34Å; K320-A324 PolarHBondContact O-N 2.84Å; D321-A324 PolarHBondContact O-N 2.94Å; A324-Q327 PolarHBondContact O-N 3.46Å; A324-R328 WeakPolarHBondContact O-CG 3.47Å; A324-R328 PolarHBondContact O-N 3.25Å
325E90.3Very high89Confident98 Ų98118.3 Ų118.346%0.45856%0.559SS.*Hα-helixtrans-65.9-43.7175.3-166.5-174.1158.900111.7D321 S322 E323 Q327 R328 R329D321-E325 PolarHBondContact O-N 3.31Å; S322-E325 PolarHBondContact O-N 3.15Å; E323-E325 VanDerWaalsContact C-N 3.34Å; E323-E325 PolarHBondContact O-N 2.86Å; E325-Q327 VanDerWaalsContact C-N 3.29Å; E325-Q327 PolarHBondContact O-N 3.47Å; E325-R328 PolarHBondContact O-N 3.29Å; E325-R329 PolarHBondContact O-N 3.36Å; E325-R329 IonicContact OE1-CZ 3.22Å; E325-R329 IonicContact OE1-NE 3.13Å; E325-R329 PolarHBondContact OE1-NE 3.17Å; E325-R329 IonicContact OE1-NH2 2.68Å; E325-R329 PolarHBondContact OE1-NH2 2.74Å
326L88.9Confident89.1Confident125 Ų125115.8 Ų115.865%0.65455%0.553SS**Hα-helixtrans-61-41.3177.5-16476000111.1S322 E323 R329 H330S322-L326 WeakPolarHBondContact O-CB 3.36Å; S322-L326 PolarHBondContact O-N 2.87Å; E323-L326 PolarHBondContact O-N 2.55Å; L326-R329 PolarHBondContact O-N 3.41Å; L326-H330 WeakPolarHBondContact O-CB 3.47Å; L326-H330 PolarHBondContact O-N 2.95Å
327Q89.2Confident89.1Confident134 Ų134116.5 Ų116.563%0.62655%0.553SS**Hα-helixtrans-66.2-40.5179-155.31641300111.8E323 A324 E325 H330 E331E323-Q327 WeakPolarHBondContact O-CB 3.35Å; E323-Q327 PolarHBondContact O-N 3.25Å; A324-Q327 PolarHBondContact O-N 3.46Å; E325-Q327 VanDerWaalsContact C-N 3.29Å; E325-Q327 PolarHBondContact O-N 3.47Å; Q327-H330 PolarHBondContact O-N 3.11Å; Q327-E331 WeakPolarHBondContact O-CB 3.4Å; Q327-E331 PolarHBondContact O-N 3.43Å
328R91Very high89.1Confident186 Ų186116.7 Ų116.770%0.70255%0.554SS**Hα-helixtrans-61.6-44.2172.1-74.1177.2-174.6170.43.4112.2A324 E325 H330 E331 Q332A324-R328 WeakPolarHBondContact O-CG 3.47Å; A324-R328 PolarHBondContact O-N 3.25Å; E325-R328 PolarHBondContact O-N 3.29Å; R328-H330 VanDerWaalsContact C-N 3.33Å; R328-H330 PolarHBondContact O-N 2.9Å; R328-E331 PolarHBondContact O-N 3.41Å; R328-Q332 WeakPolarHBondContact O-CB 3.27Å; R328-Q332 PolarHBondContact O-N 2.93Å
329R87.3Confident89.2Confident157 Ų157113.7 Ų113.759%0.59255%0.552SS**Hα-helixtrans-62.6-42176.6-73.5-174-171.7-169.54.4111.6E325 L326 Q332 M333E325-R329 PolarHBondContact O-N 3.36Å; E325-R329 IonicContact OE1-CZ 3.22Å; E325-R329 IonicContact OE1-NE 3.13Å; E325-R329 PolarHBondContact OE1-NE 3.17Å; E325-R329 IonicContact OE1-NH2 2.68Å; E325-R329 PolarHBondContact OE1-NH2 2.74Å; L326-R329 PolarHBondContact O-N 3.41Å; R329-Q332 PolarHBondContact O-N 3.17Å; R329-M333 WeakPolarHBondContact O-CB 3.43Å; R329-M333 PolarHBondContact O-N 2.97Å
330H87.8Confident89.3Confident136 Ų136113.7 Ų113.763%0.6355%0.549SS*.Hα-helixtrans-63.5-43.2177.9-168.1-94.7000111.5L326 Q327 R328 M333 K334L326-H330 WeakPolarHBondContact O-CB 3.47Å; L326-H330 PolarHBondContact O-N 2.95Å; Q327-H330 PolarHBondContact O-N 3.11Å; R328-H330 VanDerWaalsContact C-N 3.33Å; R328-H330 PolarHBondContact O-N 2.9Å; H330-M333 PolarHBondContact O-N 3.41Å; H330-K334 WeakPolarHBondContact O-CB 3.47Å; H330-K334 PolarHBondContact O-N 2.95Å
331E90.4Very high89.2Confident113 Ų113112.6 Ų112.653%0.52855%0.546SS..Hα-helixtrans-65.9-38.5176.9-169.4166.5-172.200112.5Q327 R328 K334 K335Q327-E331 WeakPolarHBondContact O-CB 3.4Å; Q327-E331 PolarHBondContact O-N 3.43Å; R328-E331 PolarHBondContact O-N 3.41Å; E331-K334 PolarHBondContact O-N 3.04Å; E331-K335 WeakPolarHBondContact O-CG 3.44Å; E331-K335 PolarHBondContact O-N 3.46Å
332Q90.2Very high89.3Confident129 Ų129115.3 Ų115.360%0.60355%0.553SS**Hα-helixtrans-66.9-42.2175.3-167.8167.58.900112.1R328 R329 K334 K335 N336R328-Q332 WeakPolarHBondContact O-CB 3.27Å; R328-Q332 PolarHBondContact O-N 2.93Å; R329-Q332 PolarHBondContact O-N 3.17Å; Q332-K334 VanDerWaalsContact C-N 3.33Å; Q332-K334 PolarHBondContact O-N 2.98Å; Q332-K335 PolarHBondContact O-N 3.22Å; Q332-N336 PolarHBondContact O-N 2.91Å
333M88.8Confident89.5Confident124 Ų124116.9 Ų116.961%0.61155%0.552SS**Hα-helixtrans-62.6-40.9175.1-173.1178.5-74.800111.4R329 H330 N336 L337R329-M333 WeakPolarHBondContact O-CB 3.43Å; R329-M333 PolarHBondContact O-N 2.97Å; H330-M333 PolarHBondContact O-N 3.41Å; M333-N336 PolarHBondContact O-N 2.97Å; M333-L337 HydrophobicContact CG-CD1 4.4Å; M333-L337 PolarHBondContact O-N 3.43Å
334K91.2Very high89.5Confident120 Ų120116.4 Ų116.452%0.52255%0.554SS.*Hα-helixtrans-61.5-46.3175.6-172.1-179.2176.7-172.60112H330 E331 Q332 N336 L337 E338H330-K334 WeakPolarHBondContact O-CB 3.47Å; H330-K334 PolarHBondContact O-N 2.95Å; E331-K334 PolarHBondContact O-N 3.04Å; Q332-K334 VanDerWaalsContact C-N 3.33Å; Q332-K334 PolarHBondContact O-N 2.98Å; K334-N336 VanDerWaalsContact C-N 3.31Å; K334-N336 PolarHBondContact O-N 3.39Å; K334-L337 PolarHBondContact O-N 3.4Å; K334-E338 WeakPolarHBondContact CE-OE1 3.29Å; K334-E338 WeakPolarHBondContact O-CG 3.3Å; K334-E338 PolarHBondContact O-N 2.85Å
335K91.6Very high89.6Confident128 Ų128119.7 Ų119.756%0.55756%0.562SS**Hα-helixtrans-60.4-40175.7-75.3178.7-178173.70112.2E331 Q332 E338 A339E331-K335 WeakPolarHBondContact O-CG 3.44Å; E331-K335 PolarHBondContact O-N 3.46Å; Q332-K335 PolarHBondContact O-N 3.22Å; K335-E338 PolarHBondContact O-N 2.94Å; K335-A339 WeakPolarHBondContact O-CB 3.44Å; K335-A339 PolarHBondContact O-N 3.39Å
336N88.8Confident89.6Confident97 Ų97121 Ų12152%0.51957%0.568SS.*Hα-helixtrans-65.2-42.4176.3-74.5-3.9000112.1Q332 M333 K334 A339 Q340Q332-N336 PolarHBondContact O-N 2.91Å; M333-N336 PolarHBondContact O-N 2.97Å; K334-N336 VanDerWaalsContact C-N 3.31Å; K334-N336 PolarHBondContact O-N 3.39Å; N336-A339 PolarHBondContact O-N 2.82Å; N336-Q340 WeakPolarHBondContact O-CG 3.4Å; N336-Q340 PolarHBondContact O-N 3.47Å
337L88.8Confident89.7Confident102 Ų102120.3 Ų120.353%0.53456%0.56SS.*Hα-helixtrans-63.8-41.7175.8-79.3168.9000112.1M333 K334 A339 Q340 H341M333-L337 HydrophobicContact CG-CD1 4.4Å; M333-L337 PolarHBondContact O-N 3.43Å; K334-L337 PolarHBondContact O-N 3.4Å; L337-A339 VanDerWaalsContact C-N 3.33Å; L337-A339 PolarHBondContact O-N 3.19Å; L337-Q340 PolarHBondContact O-N 3.29Å; L337-H341 WeakPolarHBondContact O-CB 3.29Å; L337-H341 PolarHBondContact O-N 2.83Å
338E89.4Confident89.6Confident101 Ų101121.8 Ų121.847%0.47256%0.559SS.*Hα-helixtrans-63.5-38.4175-75.3174.6-174.100112.1K334 K335 H341 K342K334-E338 WeakPolarHBondContact CE-OE1 3.29Å; K334-E338 WeakPolarHBondContact O-CG 3.3Å; K334-E338 PolarHBondContact O-N 2.85Å; K335-E338 PolarHBondContact O-N 2.94Å; E338-H341 PolarHBondContact O-N 3.29Å; E338-K342 PolarHBondContact O-N 3.26Å
339A90.1Very high89.5Confident58 Ų58121.1 Ų121.148%0.47956%0.557SS.*Hα-helixtrans-65.8-44.9174.800000111.9K335 N336 L337 H341 K342 E343K335-A339 WeakPolarHBondContact O-CB 3.44Å; K335-A339 PolarHBondContact O-N 3.39Å; N336-A339 PolarHBondContact O-N 2.82Å; L337-A339 VanDerWaalsContact C-N 3.33Å; L337-A339 PolarHBondContact O-N 3.19Å; A339-H341 VanDerWaalsContact C-N 3.31Å; A339-H341 PolarHBondContact O-N 2.97Å; A339-K342 PolarHBondContact O-N 3.38Å; A339-E343 PolarHBondContact O-N 3.47Å
340Q87.6Confident89.6Confident116 Ų116118.9 Ų118.954%0.54255%0.553SS.*Hα-helixtrans-61.6-39.9175-75.7-176-1500112N336 L337 E343 L344N336-Q340 WeakPolarHBondContact O-CG 3.4Å; N336-Q340 PolarHBondContact O-N 3.47Å; L337-Q340 PolarHBondContact O-N 3.29Å; Q340-E343 PolarHBondContact O-N 3.26Å; Q340-L344 WeakPolarHBondContact O-CB 3.4Å; Q340-L344 WeakPolarHBondContact O-CG 3.28Å; Q340-L344 PolarHBondContact O-N 2.78Å
341H89.6Confident89.6Confident109 Ų109118.7 Ų118.751%0.50555%0.551SS.*Hα-helixtrans-61.8-46.1176.3-169.1-82000111.5L337 E338 A339 E343 L344 E345L337-H341 WeakPolarHBondContact O-CB 3.29Å; L337-H341 PolarHBondContact O-N 2.83Å; E338-H341 PolarHBondContact O-N 3.29Å; A339-H341 VanDerWaalsContact C-N 3.31Å; A339-H341 PolarHBondContact O-N 2.97Å; H341-E343 PolarHBondContact O-N 3.11Å; H341-L344 PolarHBondContact O-N 3.47Å; H341-E345 VanDerWaalsContact CE1-CD 3.43Å; H341-E345 IonicContact CE1-OE1 2.88Å; H341-E345 PolarHBondContact CE1-OE1 3.18Å; H341-E345 IonicContact CE1-OE2 2.89Å; H341-E345 IonicContact ND1-OE1 2.66Å; H341-E345 IonicContact ND1-OE2 3.3Å; H341-E345 WeakPolarHBondContact O-CG 3.37Å; H341-E345 PolarHBondContact O-N 2.82Å
342K90.6Very high89.4Confident149 Ų149117.7 Ų117.765%0.64855%0.546SS*.Hα-helixtrans-61.7-42.6175.8-78.5-176.6176.6-179.20112.5E338 A339 L344 E345 E346E338-K342 PolarHBondContact O-N 3.26Å; A339-K342 PolarHBondContact O-N 3.38Å; K342-L344 VanDerWaalsContact C-N 3.32Å; K342-L344 PolarHBondContact O-N 3.48Å; K342-E345 PolarHBondContact O-N 2.86Å; K342-E346 WeakPolarHBondContact O-CB 3.21Å; K342-E346 PolarHBondContact O-N 3.45Å
343E90.6Very high89.4Confident102 Ų102115.7 Ų115.748%0.47754%0.539SS..Hα-helixtrans-63.2-40.1177.6-166.6-170154.900111.4A339 Q340 H341 E346 K347A339-E343 PolarHBondContact O-N 3.47Å; Q340-E343 PolarHBondContact O-N 3.26Å; H341-E343 PolarHBondContact O-N 3.11Å; E343-E346 PolarHBondContact O-N 2.98Å; E343-K347 WeakPolarHBondContact O-CB 3.39Å; E343-K347 WeakPolarHBondContact O-CG 3.43Å; E343-K347 PolarHBondContact O-N 3.41Å; E343-K347 VanDerWaalsContact OE1-CE 3.3Å; E343-K347 WeakPolarHBondContact OE1-CE 3.43Å; E343-K347 IonicContact OE1-NZ 3.79Å; E343-K347 PolarHBondContact OE1-NZ 2.86Å
344L88.4Confident89.3Confident120 Ų120116.1 Ų116.163%0.62854%0.54SS*.Hα-helixtrans-66.9-40.2175.2-75.4172000112.3Q340 H341 K342 E346 R348Q340-L344 WeakPolarHBondContact O-CB 3.4Å; Q340-L344 WeakPolarHBondContact O-CG 3.28Å; Q340-L344 PolarHBondContact O-N 2.78Å; H341-L344 PolarHBondContact O-N 3.47Å; K342-L344 VanDerWaalsContact C-N 3.32Å; K342-L344 PolarHBondContact O-N 3.48Å; L344-E346 VanDerWaalsContact C-N 3.34Å; L344-R348 VanDerWaalsContact O-CB 3.31Å; L344-R348 WeakPolarHBondContact O-CB 3.31Å; L344-R348 PolarHBondContact O-N 3.39Å
345E90.4Very high89.1Confident110 Ų110115.7 Ų115.751%0.51454%0.538SS..Hα-helixtrans-63-41174.1-78.4-177.1147.300111.9H341 K342 R348 R349H341-E345 VanDerWaalsContact CE1-CD 3.43Å; H341-E345 IonicContact CE1-OE1 2.88Å; H341-E345 PolarHBondContact CE1-OE1 3.18Å; H341-E345 IonicContact CE1-OE2 2.89Å; H341-E345 IonicContact ND1-OE1 2.66Å; H341-E345 IonicContact ND1-OE2 3.3Å; H341-E345 WeakPolarHBondContact O-CG 3.37Å; H341-E345 PolarHBondContact O-N 2.82Å; K342-E345 PolarHBondContact O-N 2.86Å; E345-R348 PolarHBondContact O-N 2.79Å; E345-R349 WeakPolarHBondContact O-CB 3.33Å; E345-R349 PolarHBondContact O-N 2.83Å
346E90.8Very high88.9Confident126 Ų126112.1 Ų112.159%0.58953%0.533SS*.Hα-helixtrans-68.1-42.8178.6-164.6163.8-15600111.5K342 E343 L344 R348 R349 Q350K342-E346 WeakPolarHBondContact O-CB 3.21Å; K342-E346 PolarHBondContact O-N 3.45Å; E343-E346 PolarHBondContact O-N 2.98Å; L344-E346 VanDerWaalsContact C-N 3.34Å; E346-R348 VanDerWaalsContact C-N 3.34Å; E346-R348 PolarHBondContact O-N 3.09Å; E346-R349 PolarHBondContact O-N 3.02Å; E346-Q350 WeakPolarHBondContact O-CG 3.43Å; E346-Q350 PolarHBondContact O-N 3.36Å
347K90.3Very high88.8Confident109 Ų109112.7 Ų112.747%0.47454%0.536SS..Hα-helixtrans-61.2-40.8171.5-76.2178.2-174.2164.60112.2E343 R349 Q350 F351E343-K347 WeakPolarHBondContact O-CB 3.39Å; E343-K347 WeakPolarHBondContact O-CG 3.43Å; E343-K347 PolarHBondContact O-N 3.41Å; E343-K347 VanDerWaalsContact OE1-CE 3.3Å; E343-K347 WeakPolarHBondContact OE1-CE 3.43Å; E343-K347 IonicContact OE1-NZ 3.79Å; E343-K347 PolarHBondContact OE1-NZ 2.86Å; K347-R349 VanDerWaalsContact C-N 3.35Å; K347-Q350 PolarHBondContact O-N 2.96Å; K347-F351 WeakPolarHBondContact O-CB 3.43Å; K347-F351 PolarHBondContact O-N 2.99Å
348R87.6Confident88.5Confident165 Ų165115 Ų11562%0.62354%0.538SS*.Hα-helixtrans-62.4-43.9176.3-178.9179.4169.6-131.3-12.2111L344 E345 E346 F351 E352L344-R348 VanDerWaalsContact O-CB 3.31Å; L344-R348 WeakPolarHBondContact O-CB 3.31Å; L344-R348 PolarHBondContact O-N 3.39Å; E345-R348 PolarHBondContact O-N 2.79Å; E346-R348 VanDerWaalsContact C-N 3.34Å; E346-R348 PolarHBondContact O-N 3.09Å; R348-F351 PolarHBondContact O-N 2.83Å; R348-E352 IonicContact CZ-OE1 3.25Å; R348-E352 IonicContact NE-OE1 3.47Å; R348-E352 PolarHBondContact NE-OE1 3.45Å; R348-E352 VanDerWaalsContact NE-OE1 3.13Å; R348-E352 IonicContact NH2-OE1 2.82Å; R348-E352 PolarHBondContact NH2-OE1 2.95Å; R348-E352 WeakPolarHBondContact O-CG 3.44Å; R348-E352 PolarHBondContact O-N 3.29Å
349R89.9Confident88.2Confident173 Ų173113.9 Ų113.965%0.65353%0.532SS*.Hα-helixtrans-63.9-45.1177.1-177.8-179.3158.8-171.3-5.5111.8E345 E346 K347 F351 E352 D353E345-R349 WeakPolarHBondContact O-CB 3.33Å; E345-R349 PolarHBondContact O-N 2.83Å; E346-R349 PolarHBondContact O-N 3.02Å; K347-R349 VanDerWaalsContact C-N 3.35Å; R349-F351 VanDerWaalsContact C-N 3.29Å; R349-F351 PolarHBondContact O-N 3.44Å; R349-E352 PolarHBondContact O-N 2.87Å; R349-D353 PolarHBondContact O-N 3.41Å
350Q88.8Confident87.8Confident110 Ų110113.3 Ų113.351%0.51453%0.527SS..Hα-helixtrans-58.3-43.1174.6-72.8174.97.100111.5E346 K347 D353 E354E346-Q350 WeakPolarHBondContact O-CG 3.43Å; E346-Q350 PolarHBondContact O-N 3.36Å; K347-Q350 PolarHBondContact O-N 2.96Å; Q350-D353 PolarHBondContact O-N 3.45Å; Q350-E354 WeakPolarHBondContact O-CB 3.26Å; Q350-E354 WeakPolarHBondContact O-CG 3.43Å; Q350-E354 PolarHBondContact O-N 2.85Å
351F87.4Confident87.5Confident132 Ų132114 Ų11458%0.57953%0.531SS*.Hα-helixtrans-64.7-38.7176.4-175.8-99.1000112.6K347 R348 R349 K355K347-F351 WeakPolarHBondContact O-CB 3.43Å; K347-F351 PolarHBondContact O-N 2.99Å; R348-F351 PolarHBondContact O-N 2.83Å; R349-F351 VanDerWaalsContact C-N 3.29Å; R349-F351 PolarHBondContact O-N 3.44Å; F351-K355 VanDerWaalsContact O-CB 3.22Å; F351-K355 WeakPolarHBondContact O-CB 3.37Å; F351-K355 PolarHBondContact O-N 2.92Å
352E87.5Confident86.9Confident91 Ų91112.3 Ų112.343%0.42552%0.523SS..Hα-helixtrans-65.7-40.9174.4-76.6177.5-179.800111.9R348 R349 K355 A356R348-E352 IonicContact CZ-OE1 3.25Å; R348-E352 IonicContact NE-OE1 3.47Å; R348-E352 PolarHBondContact NE-OE1 3.45Å; R348-E352 VanDerWaalsContact NE-OE1 3.13Å; R348-E352 IonicContact NH2-OE1 2.82Å; R348-E352 PolarHBondContact NH2-OE1 2.95Å; R348-E352 WeakPolarHBondContact O-CG 3.44Å; R348-E352 PolarHBondContact O-N 3.29Å; R349-E352 PolarHBondContact O-N 2.87Å; E352-K355 PolarHBondContact O-N 2.95Å; E352-A356 WeakPolarHBondContact O-CB 3.25Å; E352-A356 PolarHBondContact O-N 3.45Å
353D88.6Confident86.2Confident87 Ų87113.1 Ų113.147%0.46552%0.522SS..Hα-helixtrans-65.5-43.3175.2-72.2-23.8000111.6R349 Q350 A356 N357R349-D353 PolarHBondContact O-N 3.41Å; Q350-D353 PolarHBondContact O-N 3.45Å; D353-A356 PolarHBondContact O-N 3.49Å; D353-N357 WeakPolarHBondContact O-CB 3.42Å; D353-N357 PolarHBondContact O-N 2.86Å
354E86.8Confident85.6Confident134 Ų134112.8 Ų112.863%0.62652%0.522SS*.Hα-helixtrans-62.4-43.9174-78.9-175.4175.100111.8Q350 N357 W358Q350-E354 WeakPolarHBondContact O-CB 3.26Å; Q350-E354 WeakPolarHBondContact O-CG 3.43Å; Q350-E354 PolarHBondContact O-N 2.85Å; E354-N357 PolarHBondContact O-N 3.26Å; E354-W358 WeakPolarHBondContact O-CB 3.39Å; E354-W358 PolarHBondContact O-N 3.32Å
355K87.8Confident84.8Confident111 Ų111111.2 Ų111.248%0.48351%0.514SS..Hα-helixtrans-61.7-45.2176.3-176.7-178.5173.7-172.90111.1F351 E352 N357 W358 E359F351-K355 VanDerWaalsContact O-CB 3.22Å; F351-K355 WeakPolarHBondContact O-CB 3.37Å; F351-K355 PolarHBondContact O-N 2.92Å; E352-K355 PolarHBondContact O-N 2.95Å; K355-N357 VanDerWaalsContact C-N 3.35Å; K355-N357 PolarHBondContact O-N 3.46Å; K355-W358 PolarHBondContact O-N 3.31Å; K355-E359 WeakPolarHBondContact CE-OE1 3.34Å; K355-E359 WeakPolarHBondContact O-CB 3.18Å; K355-E359 WeakPolarHBondContact O-CG 3.35Å; K355-E359 PolarHBondContact O-N 3.07Å
356A86.9Confident83.9Confident53 Ų53112 Ų11244%0.43852%0.517SS..Hα-helixtrans-62.2-41.817700000111.9E352 D353 E359 A360E352-A356 WeakPolarHBondContact O-CB 3.25Å; E352-A356 PolarHBondContact O-N 3.45Å; D353-A356 PolarHBondContact O-N 3.49Å; A356-E359 PolarHBondContact O-N 3.43Å; A356-A360 WeakPolarHBondContact O-CB 3.35Å; A356-A360 PolarHBondContact O-N 3.3Å
357N86.4Confident82.8Confident109 Ų109112.3 Ų112.358%0.58352%0.519SS*.Hα-helixtrans-64.2-42.3174.6-86.2-15000112.3D353 E354 K355 A360 Q361D353-N357 WeakPolarHBondContact O-CB 3.42Å; D353-N357 PolarHBondContact O-N 2.86Å; E354-N357 PolarHBondContact O-N 3.26Å; K355-N357 VanDerWaalsContact C-N 3.35Å; K355-N357 PolarHBondContact O-N 3.46Å; N357-A360 PolarHBondContact O-N 3.27Å; N357-Q361 WeakPolarHBondContact O-CG 3.25Å; N357-Q361 PolarHBondContact O-N 2.92Å
358W83.8Confident81.5Confident151 Ų151112.6 Ų112.657%0.57252%0.522SS*.Hα-helixtrans-64.4-43176.5-177.885.2000111.8E354 K355 A360 Q361 Q362E354-W358 WeakPolarHBondContact O-CB 3.39Å; E354-W358 PolarHBondContact O-N 3.32Å; K355-W358 PolarHBondContact O-N 3.31Å; W358-A360 VanDerWaalsContact C-N 3.34Å; W358-A360 PolarHBondContact O-N 2.97Å; W358-Q361 PolarHBondContact O-N 3.33Å; W358-Q362 HydrophobicContact CD2-CG 4.11Å; W358-Q362 HydrophobicContact CE3-CG 4.23Å; W358-Q362 HydrophobicContact CH2-CG 3.93Å; W358-Q362 HydrophobicContact CZ2-CG 3.78Å; W358-Q362 HydrophobicContact CZ3-CG 4.15Å; W358-Q362 WeakPolarHBondContact O-CG 3.38Å; W358-Q362 PolarHBondContact O-N 2.73Å
359E83.1Confident80.3Confident77 Ų77109.1 Ų109.136%0.3652%0.516SS..Hα-helixtrans-62.7-40174.6-74.8-179.4-173.600111.8K355 A356 Q362 R363K355-E359 WeakPolarHBondContact CE-OE1 3.34Å; K355-E359 WeakPolarHBondContact O-CB 3.18Å; K355-E359 WeakPolarHBondContact O-CG 3.35Å; K355-E359 PolarHBondContact O-N 3.07Å; A356-E359 PolarHBondContact O-N 3.43Å; E359-Q362 PolarHBondContact O-N 3.02Å; E359-R363 WeakPolarHBondContact O-CG 3.4Å; E359-R363 PolarHBondContact O-N 3.11Å
360A81.1Confident78.8Confident45 Ų45104 Ų10437%0.37251%0.506SS..Hα-helixtrans-64.3-43174.500000111.8A356 N357 W358 R363 I364A356-A360 WeakPolarHBondContact O-CB 3.35Å; A356-A360 PolarHBondContact O-N 3.3Å; N357-A360 PolarHBondContact O-N 3.27Å; W358-A360 VanDerWaalsContact C-N 3.34Å; W358-A360 PolarHBondContact O-N 2.97Å; A360-R363 PolarHBondContact O-N 3.47Å; A360-I364 WeakPolarHBondContact O-CG1 3.48Å; A360-I364 PolarHBondContact O-N 2.87Å
361Q80.3Confident77.4Confident132 Ų132102 Ų10262%0.61751%0.505SS*.Hα-helixtrans-62.8-42.2174.9-75.7179.52.700112N357 W358 I364 L365N357-Q361 WeakPolarHBondContact O-CG 3.25Å; N357-Q361 PolarHBondContact O-N 2.92Å; W358-Q361 PolarHBondContact O-N 3.33Å; Q361-I364 PolarHBondContact O-N 3.01Å; Q361-L365 WeakPolarHBondContact O-CB 3.36Å; Q361-L365 PolarHBondContact O-N 3.42Å
362Q77.9Confident76Confident72 Ų72104.3 Ų104.334%0.33651%0.51SS..Hα-helixtrans-61.5-43.8174.8-78.2-65.4-22.900111.9W358 E359 I364 L365 E366W358-Q362 HydrophobicContact CD2-CG 4.11Å; W358-Q362 HydrophobicContact CE3-CG 4.23Å; W358-Q362 HydrophobicContact CH2-CG 3.93Å; W358-Q362 HydrophobicContact CZ2-CG 3.78Å; W358-Q362 HydrophobicContact CZ3-CG 4.15Å; W358-Q362 WeakPolarHBondContact O-CG 3.38Å; W358-Q362 PolarHBondContact O-N 2.73Å; E359-Q362 PolarHBondContact O-N 3.02Å; Q362-I364 VanDerWaalsContact C-N 3.32Å; Q362-I364 PolarHBondContact O-N 3.32Å; Q362-L365 WeakPolarHBondContact O-CB 3.48Å; Q362-L365 PolarHBondContact O-N 2.93Å; Q362-L365 VanDerWaalsContact O-N 3.15Å; Q362-E366 PolarHBondContact O-N 3.49Å
363R76.3Confident74.6Confident166 Ų166103.7 Ų103.763%0.62651%0.512SS*.Hα-helixtrans-61.5-39.5175.4-74-176.9-163.9-176.47.7112.6E359 A360 E366 Q367E359-R363 WeakPolarHBondContact O-CG 3.4Å; E359-R363 PolarHBondContact O-N 3.11Å; A360-R363 PolarHBondContact O-N 3.47Å; R363-E366 PolarHBondContact O-N 2.84Å; R363-Q367 WeakPolarHBondContact O-CB 3.34Å; R363-Q367 WeakPolarHBondContact O-CG 3.37Å; R363-Q367 PolarHBondContact O-N 2.92Å
364I76.8Confident73.1Confident95 Ų95104.7 Ų104.749%0.48752%0.517SS..Hα-helixtrans-65.2-41.6175.3-68166.8000110.4A360 Q361 Q362 Q367 Q368A360-I364 WeakPolarHBondContact O-CG1 3.48Å; A360-I364 PolarHBondContact O-N 2.87Å; Q361-I364 PolarHBondContact O-N 3.01Å; Q362-I364 VanDerWaalsContact C-N 3.32Å; Q362-I364 PolarHBondContact O-N 3.32Å; I364-Q367 PolarHBondContact O-N 2.94Å; I364-Q368 WeakPolarHBondContact O-CG 3.38Å; I364-Q368 PolarHBondContact O-N 3.48Å
365L72.1Confident71.5Confident88 Ų88105.5 Ų105.546%0.46152%0.521SS..Hα-helixtrans-65-41.1177.8-15878.5000111.8Q361 Q362 Q368 N369Q361-L365 WeakPolarHBondContact O-CB 3.36Å; Q361-L365 PolarHBondContact O-N 3.42Å; Q362-L365 WeakPolarHBondContact O-CB 3.48Å; Q362-L365 PolarHBondContact O-N 2.93Å; Q362-L365 VanDerWaalsContact O-N 3.15Å; L365-Q368 PolarHBondContact O-N 2.87Å; L365-N369 WeakPolarHBondContact O-CB 3.28Å; L365-N369 PolarHBondContact O-N 3.48Å
366E71.1Confident70Confident125 Ų125108.1 Ų108.158%0.58453%0.532SS*.Hα-helixtrans-65.1-38.9173.6-77.4-176159.100112.4Q362 R363 N369 S370Q362-E366 PolarHBondContact O-N 3.49Å; R363-E366 PolarHBondContact O-N 2.84Å; E366-N369 PolarHBondContact O-N 2.91Å; E366-S370 WeakPolarHBondContact O-CB 3.18Å; E366-S370 PolarHBondContact O-N 3.26Å; E366-S370 PolarHBondContact O-OG 2.9Å; E366-S370 VanDerWaalsContact O-OG 3.06Å
367Q67.6Low68.5Low133 Ų133111 Ų11162%0.62154%0.54SS*.Hα-helixtrans-67-39.2173.6-79.6-178.6-2.600112.1R363 I364 S370 S371R363-Q367 WeakPolarHBondContact O-CB 3.34Å; R363-Q367 WeakPolarHBondContact O-CG 3.37Å; R363-Q367 PolarHBondContact O-N 2.92Å; I364-Q367 PolarHBondContact O-N 2.94Å; Q367-S370 PolarHBondContact O-N 3.24Å; Q367-S371 WeakPolarHBondContact O-CB 3.4Å; Q367-S371 PolarHBondContact O-N 3.49Å; Q367-S371 PolarHBondContact O-OG 3.44Å
368Q64.7Low67.2Low116 Ų116114.3 Ų114.354%0.54255%0.549SS..Hα-helixtrans-66.1-40.5173.6-77.6-172.4-3.200112I364 L365 S371 R372I364-Q368 WeakPolarHBondContact O-CG 3.38Å; I364-Q368 PolarHBondContact O-N 3.48Å; L365-Q368 PolarHBondContact O-N 2.87Å; Q368-S371 PolarHBondContact O-N 2.94Å; Q368-R372 PolarHBondContact O-N 3.08Å
369N60.6Low65.7Low91 Ų91116.5 Ų116.549%0.48756%0.563SS.*Hα-helixtrans-65.2-41.2174.4-86.9-18.4000112.1L365 E366 S371 R372 T373L365-N369 WeakPolarHBondContact O-CB 3.28Å; L365-N369 PolarHBondContact O-N 3.48Å; E366-N369 PolarHBondContact O-N 2.91Å; N369-S371 VanDerWaalsContact C-N 3.34Å; N369-S371 PolarHBondContact O-N 3.41Å; N369-R372 PolarHBondContact O-N 2.99Å; N369-T373 PolarHBondContact O-N 3.43Å; N369-T373 PolarHBondContact O-OG1 2.92Å
370S59.1Low64.4Low65 Ų65122 Ų12246%0.45559%0.586SS.*Hα-helixtrans-64.2-37.1173.9-690000112.6E366 Q367 T373 L374E366-S370 WeakPolarHBondContact O-CB 3.18Å; E366-S370 PolarHBondContact O-N 3.26Å; E366-S370 PolarHBondContact O-OG 2.9Å; E366-S370 VanDerWaalsContact O-OG 3.06Å; Q367-S370 PolarHBondContact O-N 3.24Å; S370-T373 VanDerWaalsContact CA-OG1 3.25Å; S370-T373 WeakPolarHBondContact CA-OG1 3.4Å; S370-T373 PolarHBondContact O-N 3.13Å; S370-T373 PolarHBondContact O-OG1 3.27Å; S370-L374 WeakPolarHBondContact O-CB 3.5Å; S370-L374 WeakPolarHBondContact O-CD1 3.35Å; S370-L374 WeakPolarHBondContact O-CG 3.31Å; S370-L374 PolarHBondContact O-N 3.42Å
371S59.1Low63Low69 Ų69122.9 Ų122.948%0.48360%0.599SS.*Hα-helixtrans-66.2-39.8175.4-56.10000111.5Q367 Q368 N369 L374 E375Q367-S371 WeakPolarHBondContact O-CB 3.4Å; Q367-S371 PolarHBondContact O-N 3.49Å; Q367-S371 PolarHBondContact O-OG 3.44Å; Q368-S371 PolarHBondContact O-N 2.94Å; N369-S371 VanDerWaalsContact C-N 3.34Å; N369-S371 PolarHBondContact O-N 3.41Å; S371-L374 PolarHBondContact O-N 2.86Å; S371-E375 PolarHBondContact O-N 3.46Å
372R58.5Low61.4Low180 Ų180126.1 Ų126.168%0.67961%0.611SS**Hα-helixtrans-65.5-34.8173.3-78.7179.5168.3-178.9-1.7113Q368 N369 K376Q368-R372 PolarHBondContact O-N 3.08Å; N369-R372 PolarHBondContact O-N 2.99Å; R372-K376 PolarHBondContact O-N 3.25Å
373T58.3Low59.8Low79 Ų79130 Ų13049%0.48563%0.633SS.*Hα-helixtrans-73.6-34.5172.224.60000112.6N369 S370 K376 N377N369-T373 PolarHBondContact O-N 3.43Å; N369-T373 PolarHBondContact O-OG1 2.92Å; S370-T373 VanDerWaalsContact CA-OG1 3.25Å; S370-T373 WeakPolarHBondContact CA-OG1 3.4Å; S370-T373 PolarHBondContact O-N 3.13Å; S370-T373 PolarHBondContact O-OG1 3.27Å; T373-K376 PolarHBondContact O-N 3.35Å; T373-N377 PolarHBondContact O-N 3.5Å; T373-N377 VanDerWaalsContact O-N 3.15Å
374L56.2Low58.1Low107 Ų107135.3 Ų135.356%0.5666%0.661SS**Hα-helixtrans-71.2-36.2175.9-83.9153.5000113.2S370 S371 K376 N377 K378S370-L374 WeakPolarHBondContact O-CB 3.5Å; S370-L374 WeakPolarHBondContact O-CD1 3.35Å; S370-L374 WeakPolarHBondContact O-CG 3.31Å; S370-L374 PolarHBondContact O-N 3.42Å; S371-L374 PolarHBondContact O-N 2.86Å; L374-K376 VanDerWaalsContact C-N 3.33Å; L374-N377 PolarHBondContact O-N 3.23Å; L374-K378 WeakPolarHBondContact O-CB 3.42Å; L374-K378 PolarHBondContact O-N 3.07Å
375E54.8Low57.1Low152 Ų152137.4 Ų137.471%0.7167%0.67SS**Hα-helixtrans-64.5-36.5170.9-82.7-160.8145.900112.4S371 N377S371-E375 PolarHBondContact O-N 3.46Å; E375-N377 VanDerWaalsContact C-N 3.27Å; E375-N377 PolarHBondContact O-N 3.13Å
376K54.6Low56.3Low166 Ų166139.9 Ų139.972%0.72268%0.681SS**Hα-helixtrans-64.2-32.4172.2-83.4-177175.6178.50112.5R372 T373 L374R372-K376 PolarHBondContact O-N 3.25Å; T373-K376 PolarHBondContact O-N 3.35Å; L374-K376 VanDerWaalsContact C-N 3.33Å
377N57Low55.5Low113 Ų113140.8 Ų140.860%0.60469%0.686SS**Hα-helixtrans-88.1-29.2-178.8-75.8-15.3000114T373 L374 E375 K379 K380T373-N377 PolarHBondContact O-N 3.5Å; T373-N377 VanDerWaalsContact O-N 3.15Å; L374-N377 PolarHBondContact O-N 3.23Å; E375-N377 VanDerWaalsContact C-N 3.27Å; E375-N377 PolarHBondContact O-N 3.13Å; N377-K379 VanDerWaalsContact C-N 3.34Å; N377-K379 PolarHBondContact O-N 2.97Å; N377-K380 PolarHBondContact O-N 2.96Å
378K57.2Low54.8Low178 Ų178141.2 Ų141.277%0.77469%0.69SS**Hα-helixtrans-71.9-20.6179.1-106-179.8178174.80114.7L374 K380L374-K378 WeakPolarHBondContact O-CB 3.42Å; L374-K378 PolarHBondContact O-N 3.07Å; K378-K380 PolarHBondContact O-N 2.9Å
379K52.9Low54.2Low198 Ų198142.8 Ų142.886%0.86170%0.699SS**THydrogen-bonded Turntrans-69.4-11.1170.7-83-172.8176.7179.90113.6N377N377-K379 VanDerWaalsContact C-N 3.34Å; N377-K379 PolarHBondContact O-N 2.97Å
380K55.5Low53.8Low192 Ų192146.3 Ų146.384%0.83571%0.713SS**THydrogen-bonded Turntrans-107.63.4-172.9-72.2-169.8174.2-174.90116N377 K378N377-K380 PolarHBondContact O-N 2.96Å; K378-K380 PolarHBondContact O-N 2.9Å
381G51.4Low53.4Low64 Ų64152.1 Ų152.166%0.6673%0.732SS**  trans-143.844.5-166.700000117.5
382K47.3Very low52.9Low199 Ų199158.5 Ų158.587%0.86575%0.751SS**  trans-135.6105.2160.6-96.1-173.6175.1-175.60107.9
383I44.6Very low52.5Low154 Ų154156.7 Ų156.779%0.7976%0.757SS**  trans-169.9117.7147.8-89.3151.5000105.6
384F40.1Very low52Low278 Ų278163.7 Ų163.7100%1.21978%0.782SS**  trans71.10177.4-65.7-71000119.7

Retrieved 384 of 384 residues in 383.6 ms (Link to these results)

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