A0A3Q0KD33_SCHMA Loading...

XPG_I_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KD33, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 748 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
1M24.2Very low38.6Very low217 Ų21777.7 Ų77.7100%1.06941%0.413SS*.  095.10-160.4178.6-159.900107.6I3M1-I3 HydrophobicContact CG-CG1 4.44Å; M1-I3 PolarHBondContact O-N 3.24Å; M1-I3 VanDerWaalsContact O-N 3.12Å
2T21.2Very low40.5Very low136 Ų13673.3 Ų73.383%0.83439%0.393SS*.  trans-8289.1-176.9-49.40000108.6M4T2-M4 PolarHBondContact O-N 3.19Å; T2-M4 VanDerWaalsContact O-N 3.1Å
3I24.2Very low42.6Very low107 Ų10770.8 Ų70.855%0.54938%0.377SS..  trans-75.892.8173.9-57.6171.2000107.3M1M1-I3 HydrophobicContact CG-CG1 4.44Å; M1-I3 PolarHBondContact O-N 3.24Å; M1-I3 VanDerWaalsContact O-N 3.12Å
4M30.8Very low44.7Very low123 Ų12366.6 Ų66.661%0.60635%0.353SS*.  trans-81.8106.6160.2-88-134.2165.600108.4T2 K44T2-M4 PolarHBondContact O-N 3.19Å; T2-M4 VanDerWaalsContact O-N 3.1Å; M4-K44 PolarHBondContact O-NZ 3.35Å
5I30.5Very low46.5Very low75 Ų7563.7 Ų63.739%0.38534%0.341SS..  73.492.481.1-60.9166.8000110.3N9I5-N9 WeakPolarHBondContact CG1-OD1 3.32Å; I5-N9 WeakPolarHBondContact CG2-OD1 3.49Å
6T34.5Very low48Very low28 Ų2868.1 Ų68.117%0.17236%0.356CS..  trans-61.2140.9140.942.40000106.7N8 N9 S147T6-N8 PolarHBondContact O-N 3.14Å; T6-N9 PolarHBondContact O-N 3.16Å; T6-S147 WeakPolarHBondContact CB-OG 3.49Å; T6-S147 WeakPolarHBondContact CG2-OG 3.31Å; T6-S147 PolarHBondContact OG1-OG 2.97Å
7Q37.6Very low49.8Very low104 Ų10466.5 Ų66.549%0.48635%0.352SS..THydrogen-bonded Turntrans-57.4-17.7-172.9-67.6177.69.400113.4Q92 S93Q7-Q92 PolarHBondContact NE2-O 2.8Å; Q7-Q92 PolarHBondContact OE1-O 3.47Å; Q7-S93 WeakPolarHBondContact CB-O 2.95Å; Q7-S93 WeakPolarHBondContact CG-O 3.2Å; Q7-S93 PolarHBondContact N-O 2.85Å; Q7-S93 VanDerWaalsContact OE1-CA 3.31Å
8N47.3Very low51.5Low20 Ų2073.8 Ų73.811%0.10738%0.375CS..THydrogen-bonded Turntrans-79.6-5.8173.7-74.2-18.5000115.5T6 L10 Y215 R222 C243T6-N8 PolarHBondContact O-N 3.14Å; N8-L10 WeakPolarHBondContact O-CG 3.33Å; N8-L10 PolarHBondContact O-N 3.28Å; N8-Y215 HydrophobicContact CB-CD1 4.36Å; N8-Y215 PolarHBondContact ND2-O 3.38Å; N8-R222 PolarHBondContact OD1-NH1 3.49Å; N8-C243 VanDerWaalsContact C-SG 3.53Å; N8-C243 PolarHBondContact O-SG 3.46Å
9N51Low53.2Low26 Ų2679.3 Ų79.314%0.13940%0.397CS..  trans50.81.8177.7-79.3-37.1000116.9I5 T6 S12 F13 C243I5-N9 WeakPolarHBondContact CG1-OD1 3.32Å; I5-N9 WeakPolarHBondContact CG2-OD1 3.49Å; T6-N9 PolarHBondContact O-N 3.16Å; N9-S12 PolarHBondContact O-OG 3.15Å; N9-F13 WeakPolarHBondContact O-CB 3.43Å; N9-F13 PolarHBondContact O-N 3.22Å; N9-F13 VanDerWaalsContact O-N 3.11Å; N9-C243 HydrophobicContact CB-CB 4.01Å
10L60.4Low54.8Low0 Ų075.8 Ų75.80%038%0.379CS..Hα-helixtrans-79.8-44-171.5-81176.8000111.1N8 S12 F13 F14 D149 Y215 L244 W247N8-L10 WeakPolarHBondContact O-CG 3.33Å; N8-L10 PolarHBondContact O-N 3.28Å; L10-S12 VanDerWaalsContact C-N 3.28Å; L10-S12 PolarHBondContact O-N 3.26Å; L10-F13 HydrophobicContact CD2-CD1 4.42Å; L10-F13 CarbonylContact O-C 3.57Å; L10-F13 WeakPolarHBondContact O-CA 3.42Å; L10-F13 WeakPolarHBondContact O-CB 3.4Å; L10-F13 PolarHBondContact O-N 3.06Å; L10-F14 HydrophobicContact CB-CD2 4.21Å; L10-F14 HydrophobicContact CB-CE2 3.9Å; L10-F14 HydrophobicContact CD2-CE2 3.89Å; L10-F14 HydrophobicContact CD2-CZ 4.26Å; L10-F14 HydrophobicContact CG-CE2 4.35Å; L10-F14 WeakPolarHBondContact O-CD2 3.21Å; L10-F14 PolarHBondContact O-N 3.29Å; L10-D149 WeakPolarHBondContact CD1-OD1 3.24Å; L10-D149 WeakPolarHBondContact CD1-OD2 3.45Å; L10-Y215 HydrophobicContact CD1-CD1 3.27Å; L10-Y215 HydrophobicContact CD1-CD2 4.34Å; L10-Y215 HydrophobicContact CD1-CE1 3.28Å; L10-Y215 HydrophobicContact CD1-CE2 4.34Å; L10-Y215 HydrophobicContact CD1-CG 3.84Å; L10-Y215 HydrophobicContact CG-CD1 4.34Å; L10-Y215 HydrophobicContact CG-CE1 4.05Å; L10-L244 HydrophobicContact CD2-CD2 4.29Å; L10-W247 HydrophobicContact CD1-CD2 4.37Å; L10-W247 HydrophobicContact CD1-CE3 3.55Å; L10-W247 HydrophobicContact CD1-CZ3 3.93Å; L10-W247 HydrophobicContact CD2-CB 3.91Å; L10-W247 HydrophobicContact CD2-CD2 3.43Å; L10-W247 VanDerWaalsContact CD2-CD2 3.43Å; L10-W247 HydrophobicContact CD2-CE3 3.47Å; L10-W247 VanDerWaalsContact CD2-CE3 3.47Å; L10-W247 HydrophobicContact CD2-CG 3.6Å; L10-W247 HydrophobicContact CD2-CZ3 4.37Å; L10-W247 HydrophobicContact CG-CE3 4.17Å
11G63.3Low56.3Low19 Ų1973.5 Ų73.520%0.19637%0.367CS..Hα-helixtrans-55.6-43.817500000112.6F13 S15G11-F13 VanDerWaalsContact C-N 3.33Å; G11-S15 VanDerWaalsContact O-CB 3.3Å; G11-S15 WeakPolarHBondContact O-CB 3.41Å; G11-S15 PolarHBondContact O-N 3.38Å; G11-S15 PolarHBondContact O-OG 3.38Å
12S61.5Low59.4Low25 Ų2568.2 Ų68.218%0.17534%0.34CS..Hα-helixtrans-71.3-25.9176.163.40000113.2N9 L10 S15 K16N9-S12 PolarHBondContact O-OG 3.15Å; L10-S12 VanDerWaalsContact C-N 3.28Å; L10-S12 PolarHBondContact O-N 3.26Å; S12-S15 WeakPolarHBondContact CA-OG 3.32Å; S12-S15 PolarHBondContact O-OG 3.49Å; S12-K16 WeakPolarHBondContact O-CG 3.38Å; S12-K16 PolarHBondContact O-N 3.49Å
13F67.4Low62.7Low41 Ų4166.1 Ų66.118%0.1833%0.327CS..Hα-helixtrans-76.5-44.9173.1164.4-100.7000112.8N9 L10 G11 S15 K16 L244 F248N9-F13 WeakPolarHBondContact O-CB 3.43Å; N9-F13 PolarHBondContact O-N 3.22Å; N9-F13 VanDerWaalsContact O-N 3.11Å; L10-F13 HydrophobicContact CD2-CD1 4.42Å; L10-F13 CarbonylContact O-C 3.57Å; L10-F13 WeakPolarHBondContact O-CA 3.42Å; L10-F13 WeakPolarHBondContact O-CB 3.4Å; L10-F13 PolarHBondContact O-N 3.06Å; G11-F13 VanDerWaalsContact C-N 3.33Å; F13-S15 VanDerWaalsContact C-N 3.27Å; F13-S15 PolarHBondContact O-N 3.34Å; F13-K16 WeakPolarHBondContact O-CB 3.46Å; F13-K16 PolarHBondContact O-N 3.12Å; F13-L244 HydrophobicContact CB-CD1 4.03Å; F13-L244 HydrophobicContact CB-CD2 3.21Å; F13-L244 HydrophobicContact CB-CG 4.22Å; F13-L244 HydrophobicContact CD1-CD2 3.98Å; F13-L244 HydrophobicContact CD2-CD1 3.69Å; F13-L244 HydrophobicContact CD2-CD2 3.64Å; F13-L244 HydrophobicContact CD2-CG 4.21Å; F13-L244 HydrophobicContact CE2-CD2 4.46Å; F13-L244 HydrophobicContact CG-CD1 4.18Å; F13-L244 HydrophobicContact CG-CD2 3.35Å; F13-L244 HydrophobicContact CG-CG 4.36Å; F13-F248 AromaticContact CE2-CZ 3.9Å; F13-F248 HydrophobicContact CE2-CZ 3.9Å; F13-F248 HydrophobicContact CZ-CE1 4.05Å; F13-F248 AromaticContact CZ-CZ 3.66Å; F13-F248 HydrophobicContact CZ-CZ 3.66Å
14F72.2Confident65.8Low11 Ų1162.9 Ų62.95%0.04831%0.314CS..Hα-helixtrans-63.7-38175-69.9-58.7000110.9L10 K16 S17 N20 F21 F193 F200 W247L10-F14 HydrophobicContact CB-CD2 4.21Å; L10-F14 HydrophobicContact CB-CE2 3.9Å; L10-F14 HydrophobicContact CD2-CE2 3.89Å; L10-F14 HydrophobicContact CD2-CZ 4.26Å; L10-F14 HydrophobicContact CG-CE2 4.35Å; L10-F14 WeakPolarHBondContact O-CD2 3.21Å; L10-F14 PolarHBondContact O-N 3.29Å; F14-K16 PolarHBondContact O-N 2.88Å; F14-S17 PolarHBondContact O-N 3.36Å; F14-N20 PolarHBondContact O-ND2 3.08Å; F14-F21 VanDerWaalsContact O-CE2 3.32Å; F14-F21 WeakPolarHBondContact O-CE2 3.03Å; F14-F193 HydrophobicContact CB-CE2 3.9Å; F14-F193 HydrophobicContact CD1-CE2 4.29Å; F14-F193 HydrophobicContact CD1-CZ 4.43Å; F14-F193 HydrophobicContact CG-CE2 4.12Å; F14-F193 HydrophobicContact CG-CZ 4.41Å; F14-F200 HydrophobicContact CD1-CE2 4.11Å; F14-F200 AromaticContact CD2-CE2 3.76Å; F14-F200 HydrophobicContact CD2-CE2 3.76Å; F14-F200 HydrophobicContact CD2-CZ 4.11Å; F14-F200 AromaticContact CE1-CD2 3.82Å; F14-F200 HydrophobicContact CE1-CD2 3.82Å; F14-F200 AromaticContact CE1-CE2 3.52Å; F14-F200 HydrophobicContact CE1-CE2 3.52Å; F14-F200 HydrophobicContact CE1-CZ 4.11Å; F14-F200 HydrophobicContact CE2-CD2 4.21Å; F14-F200 HydrophobicContact CE2-CE1 4.22Å; F14-F200 AromaticContact CE2-CE2 3.12Å; F14-F200 HydrophobicContact CE2-CE2 3.12Å; F14-F200 AromaticContact CE2-CZ 3.13Å; F14-F200 HydrophobicContact CE2-CZ 3.13Å; F14-F200 HydrophobicContact CG-CE2 4.25Å; F14-F200 AromaticContact CZ-CD2 3.68Å; F14-F200 HydrophobicContact CZ-CD2 3.68Å; F14-F200 AromaticContact CZ-CE1 3.91Å; F14-F200 HydrophobicContact CZ-CE1 3.91Å; F14-F200 AromaticContact CZ-CE2 2.99Å; F14-F200 HydrophobicContact CZ-CE2 2.99Å; F14-F200 HydrophobicContact CZ-CG 4.39Å; F14-F200 AromaticContact CZ-CZ 3.14Å; F14-F200 HydrophobicContact CZ-CZ 3.14Å; F14-W247 AromaticContact CZ-CE2 3.92Å; F14-W247 AromaticContact CZ-CZ2 3.86Å; F14-W247 HydrophobicContact CZ-CZ2 3.86Å
15S71Confident68.7Low24 Ų2461.5 Ų61.517%0.16831%0.308CS..Hα-helixtrans-64.8-22.417675.30000114.3G11 S12 F13 S17G11-S15 VanDerWaalsContact O-CB 3.3Å; G11-S15 WeakPolarHBondContact O-CB 3.41Å; G11-S15 PolarHBondContact O-N 3.38Å; G11-S15 PolarHBondContact O-OG 3.38Å; S12-S15 WeakPolarHBondContact CA-OG 3.32Å; S12-S15 PolarHBondContact O-OG 3.49Å; F13-S15 VanDerWaalsContact C-N 3.27Å; F13-S15 PolarHBondContact O-N 3.34Å; S15-S17 VanDerWaalsContact C-N 3.26Å; S15-S17 PolarHBondContact O-N 3.3Å
16K71.7Confident71.6Confident133 Ų13358.3 Ų58.358%0.57829%0.292SS*.THydrogen-bonded Turntrans-68.6-22.7175-77.2170.9-176.2-175.40113.4S12 F13 F14S12-K16 WeakPolarHBondContact O-CG 3.38Å; S12-K16 PolarHBondContact O-N 3.49Å; F13-K16 WeakPolarHBondContact O-CB 3.46Å; F13-K16 PolarHBondContact O-N 3.12Å; F14-K16 PolarHBondContact O-N 2.88Å
17S78.6Confident74.3Confident42 Ų4264.4 Ų64.429%0.29431%0.312SS..  trans-103.4100.9178.7176.70000110.2F14 S15 F19 N20F14-S17 PolarHBondContact O-N 3.36Å; S15-S17 VanDerWaalsContact C-N 3.26Å; S15-S17 PolarHBondContact O-N 3.3Å; S17-F19 PolarHBondContact O-N 3.39Å; S17-F19 VanDerWaalsContact O-N 3.1Å; S17-N20 WeakPolarHBondContact O-CB 3.39Å; S17-N20 PolarHBondContact O-N 3.24Å
18Y80.2Confident76.8Confident197 Ų19767.1 Ų67.177%0.77332%0.322SS*.G310 helixtrans-56-26.6176.1-62-77.1000113.2N20 F21Y18-N20 PolarHBondContact O-N 3.12Å; Y18-N20 VanDerWaalsContact O-N 3.15Å; Y18-F21 PolarHBondContact O-N 3.13Å
19F83.7Confident79Confident178 Ų17868.2 Ų68.278%0.78133%0.329SS*.G310 helixtrans-61.4-20.6175.6-64-71.8000113.9S17 F21 F197S17-F19 PolarHBondContact O-N 3.39Å; S17-F19 VanDerWaalsContact O-N 3.1Å; F19-F21 PolarHBondContact O-N 2.98Å; F19-F197 WeakPolarHBondContact O-CB 3.5Å
20N84Confident81Confident9 Ų968.9 Ų68.95%0.04833%0.334CS..G310 helixtrans-75.4-9.7177-61.6-20.2000112.7F14 S17 Y18 F193 H194 F197 S198F14-N20 PolarHBondContact O-ND2 3.08Å; S17-N20 WeakPolarHBondContact O-CB 3.39Å; S17-N20 PolarHBondContact O-N 3.24Å; Y18-N20 PolarHBondContact O-N 3.12Å; Y18-N20 VanDerWaalsContact O-N 3.15Å; N20-F193 HydrophobicContact CB-CD2 3.97Å; N20-F193 HydrophobicContact CB-CE2 3.78Å; N20-H194 PolarHBondContact O-N 3.25Å; N20-F197 PolarHBondContact OD1-O 3.3Å; N20-S198 WeakPolarHBondContact OD1-CA 3.46Å
21F87.3Confident82.7Confident29 Ų2969 Ų6913%0.12734%0.335CS..EExtended strand (participates in β ladder)trans-122.5144.3-170.2-58.4-88.2000112.9F14 Y18 F19 P173 L176 H191 V192 F193F14-F21 VanDerWaalsContact O-CE2 3.32Å; F14-F21 WeakPolarHBondContact O-CE2 3.03Å; Y18-F21 PolarHBondContact O-N 3.13Å; F19-F21 PolarHBondContact O-N 2.98Å; F21-P173 HydrophobicContact CE1-CG 3.8Å; F21-L176 HydrophobicContact CD1-CD1 3.95Å; F21-L176 HydrophobicContact CE1-CD1 3.66Å; F21-L176 HydrophobicContact CZ-CD1 4.01Å; F21-H191 HydrophobicContact CB-CB 4.2Å; F21-H191 HydrophobicContact CD1-CB 4.11Å; F21-H191 HydrophobicContact CG-CB 4.39Å; F21-V192 CarbonylContact C-O 3.57Å; F21-V192 WeakPolarHBondContact CA-O 3.32Å; F21-F193 HydrophobicContact CD1-CB 4.01Å; F21-F193 HydrophobicContact CD1-CD2 4.34Å; F21-F193 HydrophobicContact CE1-CB 3.76Å; F21-F193 AromaticContact CE1-CD2 3.73Å; F21-F193 HydrophobicContact CE1-CD2 3.73Å; F21-F193 HydrophobicContact CE1-CG 4.24Å; F21-F193 HydrophobicContact CE2-CD2 4.45Å; F21-F193 AromaticContact CZ-CD2 3.8Å; F21-F193 HydrophobicContact CZ-CD2 3.8Å
22E90Very high84.2Confident106 Ų10668 Ų6850%0.49533%0.325SS..EExtended strand (participates in β ladder)trans-107.4133.8166-178.9-178.7175.200109.1S24 H191 V192 H194E22-S24 PolarHBondContact O-N 2.65Å; E22-H191 CarbonylContact O-C 3.58Å; E22-H191 WeakPolarHBondContact O-CA 3.23Å; E22-V192 PolarHBondContact N-O 2.77Å; E22-V192 PolarHBondContact O-N 3.18Å; E22-H194 VanDerWaalsContact CB-NE2 3.35Å; E22-H194 WeakPolarHBondContact CB-NE2 3.44Å; E22-H194 IonicContact OE2-CD2 2.71Å; E22-H194 IonicContact OE2-CE1 2.78Å; E22-H194 PolarHBondContact OE2-CE1 3.29Å; E22-H194 IonicContact OE2-NE2 3.46Å; E22-H194 PolarHBondContact OE2-NE2 2.87Å
23V90Very high85.8Confident92 Ų9267 Ų6756%0.55832%0.318SS*.EExtended strand (participates in β ladder)trans-71.6128.3173.8-179.60000109.1L189V23-L189 HydrophobicContact CG1-CD1 3.51Å
24S89.9Confident87.1Confident39 Ų3965.1 Ų65.127%0.27331%0.309SS..EExtended strand (participates in β ladder)trans-133.1147.7179.1-177.60000111.2E22 S190E22-S24 PolarHBondContact O-N 2.65Å; S24-S190 WeakPolarHBondContact CB-OG 3.49Å; S24-S190 PolarHBondContact N-O 3.01Å; S24-S190 CarbonylContact O-C 3.38Å; S24-S190 WeakPolarHBondContact O-CA 3.41Å; S24-S190 PolarHBondContact O-N 3.43Å; S24-S190 PolarHBondContact O-OG 3.29Å
25L90.6Very high88.1Confident93 Ų9364.6 Ų64.649%0.48731%0.307SS..EExtended strand (participates in β ladder)trans-108.2105.9178.1-58.8178.3000109.1R27 I187 L189L25-R27 PolarHBondContact O-N 2.89Å; L25-I187 HydrophobicContact CD1-CD1 4.42Å; L25-I187 HydrophobicContact CD2-CD1 4.27Å; L25-L189 HydrophobicContact CD2-CB 4.5Å; L25-L189 HydrophobicContact CD2-CD1 3.67Å
26L91.2Very high89.1Confident8 Ų863.4 Ų63.44%0.04230%0.299CS..EExtended strand (participates in β ladder)trans-77122.7178.4-62.4175.7000109.9T29 I76 P142 I144 L177 I188 S190L26-T29 HydrophobicContact CD2-CG2 4.44Å; L26-I76 HydrophobicContact CB-CD1 3.8Å; L26-P142 HydrophobicContact CD2-CB 4.4Å; L26-P142 HydrophobicContact CD2-CG 3.92Å; L26-I144 HydrophobicContact CD1-CD1 4.4Å; L26-L177 HydrophobicContact CD1-CD2 3.85Å; L26-I188 HydrophobicContact CB-CB 4.27Å; L26-I188 PolarHBondContact N-O 3.07Å; L26-I188 PolarHBondContact O-N 2.8Å; L26-S190 WeakPolarHBondContact CG-OG 3.48Å
27R91.9Very high90Very high156 Ų15657.1 Ų57.159%0.58927%0.272SS*.  trans-162.5151.8172.363.4-178-171.8176.8-0.5109.5L25 T29 C74 I187L25-R27 PolarHBondContact O-N 2.89Å; R27-T29 VanDerWaalsContact C-N 3.27Å; R27-T29 PolarHBondContact O-N 3.5Å; R27-C74 CarbonylContact C-O 3.54Å; R27-C74 VanDerWaalsContact CA-O 3.32Å; R27-C74 WeakPolarHBondContact CA-O 3.21Å; R27-I187 HydrophobicContact CB-CG2 4.25Å; R27-I187 HydrophobicContact CG-CG2 4.49Å
28K90.1Very high90.7Very high161 Ų16155.1 Ų55.170%0.726%0.258SS*.SBendtrans49.845.5170.9-57.3-170.1173.2-172.70113.4C74 D75K28-C74 PolarHBondContact N-O 2.92Å; K28-D75 WeakPolarHBondContact CA-O 3.17Å; K28-D75 HydrophobicContact CG-CB 3.95Å; K28-D75 PolarHBondContact N-O 2.68Å
29T92.5Very high91.3Very high44 Ų4445.8 Ų45.827%0.2722%0.221SC..  trans-143152.8-174.3-173.40000110.8L26 R27 V31 D75 I76 Q77L26-T29 HydrophobicContact CD2-CG2 4.44Å; R27-T29 VanDerWaalsContact C-N 3.27Å; R27-T29 PolarHBondContact O-N 3.5Å; T29-V31 HydrophobicContact CG2-CG1 3.97Å; T29-D75 PolarHBondContact N-O 2.93Å; T29-I76 HydrophobicContact CG2-CG1 4.4Å; T29-I76 CarbonylContact O-C 3.54Å; T29-I76 VanDerWaalsContact O-CA 3.3Å; T29-I76 WeakPolarHBondContact O-CA 3.21Å; T29-Q77 PolarHBondContact O-N 3.13Å
30V94.3Very high91.6Very high40 Ų4038.3 Ų38.324%0.24219%0.189CC..EExtended strand (participates in β ladder)trans-74.4145.3162.7-176.50000108Q77 L79 L139 C141 P142V30-Q77 WeakPolarHBondContact CA-O 3.28Å; V30-Q77 HydrophobicContact CG2-CB 4.31Å; V30-L79 HydrophobicContact CG1-CD1 3.73Å; V30-L79 HydrophobicContact CG1-CG 4.09Å; V30-L139 HydrophobicContact CG1-CD1 4.29Å; V30-C141 HydrophobicContact CB-CB 4.31Å; V30-C141 WeakPolarHBondContact O-CB 3.47Å; V30-P142 WeakPolarHBondContact O-CD 3.49Å
31V95.1Very high91.9Very high1 Ų138.7 Ų38.71%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-136.8143.2168.8-61.50000109.3T29 I33 I76 Q77 P78 L79 P142 I144T29-V31 HydrophobicContact CG2-CG1 3.97Å; V31-I33 HydrophobicContact CG2-CD1 3.91Å; V31-I33 HydrophobicContact CG2-CG1 3.92Å; V31-I76 HydrophobicContact CB-CG2 4.3Å; V31-I76 HydrophobicContact CG1-CG2 3.87Å; V31-I76 HydrophobicContact CG2-CG2 3.46Å; V31-I76 VanDerWaalsContact CG2-CG2 3.46Å; V31-Q77 PolarHBondContact N-O 3.25Å; V31-P78 HydrophobicContact CG2-CB 4.08Å; V31-P78 CarbonylContact O-C 3.54Å; V31-P78 WeakPolarHBondContact O-CA 3.39Å; V31-L79 PolarHBondContact O-N 2.88Å; V31-P142 WeakPolarHBondContact CA-O 3.4Å; V31-P142 HydrophobicContact CG1-CB 4.14Å; V31-P142 HydrophobicContact CG1-CG 4.22Å; V31-I144 HydrophobicContact CB-CD1 4.02Å; V31-I144 HydrophobicContact CG1-CD1 4.27Å; V31-I144 HydrophobicContact CG2-CD1 4.07Å
32V95.2Very high92.1Very high0 Ų037.3 Ų37.30%018%0.183CC..EExtended strand (participates in β ladder)trans-100.4132.5170.2-174.60000108.4L79 I81 A132 L135 S136 P142 F143 I144V32-L79 CarbonylContact C-O 3.59Å; V32-L79 WeakPolarHBondContact CA-O 3.32Å; V32-L79 HydrophobicContact CG2-CD1 4.47Å; V32-I81 HydrophobicContact CG1-CD1 4.1Å; V32-I81 HydrophobicContact CG1-CG1 4.24Å; V32-A132 HydrophobicContact CG1-CB 3.72Å; V32-L135 HydrophobicContact CG1-CD2 4.21Å; V32-L135 HydrophobicContact CG2-CB 4.35Å; V32-L135 HydrophobicContact CG2-CD2 3.8Å; V32-L135 HydrophobicContact CG2-CG 3.94Å; V32-S136 WeakPolarHBondContact CB-OG 3.47Å; V32-S136 WeakPolarHBondContact CG2-OG 2.81Å; V32-P142 PolarHBondContact N-O 3.5Å; V32-F143 CarbonylContact O-C 3.58Å; V32-F143 WeakPolarHBondContact O-CA 3.46Å; V32-I144 PolarHBondContact O-N 3.37Å
33I95.5Very high92.1Very high4 Ų432.4 Ų32.42%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-124.4130.1-174.6-49.5-173.9000109.5V31 G35 F38 P78 L79 F80 I81 I144V31-I33 HydrophobicContact CG2-CD1 3.91Å; V31-I33 HydrophobicContact CG2-CG1 3.92Å; I33-G35 PolarHBondContact O-N 3.28Å; I33-F38 HydrophobicContact CG2-CB 4Å; I33-F38 HydrophobicContact CG2-CD2 3.81Å; I33-F38 HydrophobicContact CG2-CG 4.18Å; I33-P78 HydrophobicContact CD1-CB 3.72Å; I33-P78 HydrophobicContact CG1-CB 4.38Å; I33-L79 PolarHBondContact N-O 3.49Å; I33-F80 HydrophobicContact CB-CD1 3.78Å; I33-F80 HydrophobicContact CB-CE1 3.71Å; I33-F80 HydrophobicContact CB-CG 4.41Å; I33-F80 HydrophobicContact CB-CZ 4.26Å; I33-F80 HydrophobicContact CD1-CE1 4.01Å; I33-F80 HydrophobicContact CD1-CE2 4.23Å; I33-F80 HydrophobicContact CD1-CZ 3.71Å; I33-F80 HydrophobicContact CG1-CE1 4.39Å; I33-F80 HydrophobicContact CG1-CZ 4.47Å; I33-F80 HydrophobicContact CG2-CD1 3.9Å; I33-F80 HydrophobicContact CG2-CE1 3.52Å; I33-F80 HydrophobicContact CG2-CZ 4.29Å; I33-F80 WeakPolarHBondContact O-CA 3.48Å; I33-I81 PolarHBondContact O-N 3.45Å; I33-I144 HydrophobicContact CD1-CD1 4.22Å; I33-I144 HydrophobicContact CG1-CB 4.18Å; I33-I144 HydrophobicContact CG1-CD1 4.12Å; I33-I144 HydrophobicContact CG2-CB 4.3Å; I33-I144 HydrophobicContact CG2-CG2 4.23Å
34H93.2Very high91.9Very high0 Ų031 Ų310%015%0.147CC..EExtended strand (participates in β ladder)trans-69.8113.1168.9-169-55.7000109.7D36 D37 F38 D83 F143 I144 A145H34-D36 PolarHBondContact ND1-N 3.28Å; H34-D37 HydrophobicContact CB-CB 4.02Å; H34-D37 IonicContact CE1-OD1 3.89Å; H34-D37 PolarHBondContact ND1-N 2.99Å; H34-D37 IonicContact ND1-OD1 2.8Å; H34-D37 PolarHBondContact O-N 3.29Å; H34-F38 PolarHBondContact O-N 3.31Å; H34-D83 IonicContact CE1-OD2 3.04Å; H34-D83 PolarHBondContact CE1-OD2 2.59Å; H34-D83 IonicContact NE2-OD1 3.12Å; H34-D83 IonicContact NE2-OD2 2.69Å; H34-F143 HydrophobicContact CB-CE2 4.16Å; H34-F143 HydrophobicContact CB-CZ 4.37Å; H34-I144 PolarHBondContact N-O 3.02Å; H34-A145 HydrophobicContact CB-CB 3.86Å
35G95Very high91.7Very high0 Ų033.4 Ų33.40%016%0.157CC..Hα-helixtrans-66.8-44.2-169.800000114.2I33 F38 I39 I81 F82I33-G35 PolarHBondContact O-N 3.28Å; G35-F38 PolarHBondContact O-N 2.97Å; G35-I39 WeakPolarHBondContact O-CG1 3.23Å; G35-I39 PolarHBondContact O-N 3.32Å; G35-I81 PolarHBondContact N-O 3.37Å; G35-F82 VanDerWaalsContact CA-CE1 3.47Å
36D91.8Very high91.5Very high0 Ų031.1 Ų31.10%015%0.146CC..Hα-helixtrans-63.7-43178.3-69.6-71.2000112.6H34 F38 I39 H40 D83 W100 I103 K107H34-D36 PolarHBondContact ND1-N 3.28Å; D36-F38 VanDerWaalsContact C-N 3.31Å; D36-F38 PolarHBondContact O-N 3.25Å; D36-I39 WeakPolarHBondContact O-CB 3.22Å; D36-I39 PolarHBondContact O-N 3.49Å; D36-H40 PolarHBondContact O-N 3.35Å; D36-D83 WeakPolarHBondContact OD2-CB 3.3Å; D36-D83 PolarHBondContact OD2-N 3.26Å; D36-W100 HydrophobicContact CB-CH2 4.48Å; D36-W100 HydrophobicContact CB-CZ3 4.22Å; D36-I103 HydrophobicContact CB-CG2 4.01Å; D36-I103 WeakPolarHBondContact OD1-CG2 3.26Å; D36-K107 VanDerWaalsContact CG-NZ 3.33Å; D36-K107 WeakPolarHBondContact OD1-CE 3.45Å; D36-K107 IonicContact OD1-NZ 3.28Å; D36-K107 PolarHBondContact OD1-NZ 2.97Å; D36-K107 IonicContact OD2-NZ 3.48Å; D36-K107 PolarHBondContact OD2-NZ 3.13Å
37D89.6Confident91.3Very high0 Ų032.5 Ų32.50%015%0.154CC..Hα-helixtrans-61.6-37.2173.8-7822000112.7H34 H40 Y41 Y95 S146 Y148H34-D37 HydrophobicContact CB-CB 4.02Å; H34-D37 IonicContact CE1-OD1 3.89Å; H34-D37 PolarHBondContact ND1-N 2.99Å; H34-D37 IonicContact ND1-OD1 2.8Å; H34-D37 PolarHBondContact O-N 3.29Å; D37-H40 PolarHBondContact O-N 3.25Å; D37-Y41 WeakPolarHBondContact O-CB 3.47Å; D37-Y41 PolarHBondContact O-N 3.02Å; D37-Y95 PolarHBondContact OD1-OH 3.46Å; D37-S146 VanDerWaalsContact OD2-CB 3.26Å; D37-S146 WeakPolarHBondContact OD2-CB 3.33Å; D37-S146 PolarHBondContact OD2-N 3.04Å; D37-S146 PolarHBondContact OD2-OG 3.47Å; D37-Y148 PolarHBondContact OD1-OH 3.26Å; D37-Y148 WeakPolarHBondContact OD2-CE2 3.42Å
38F93.9Very high90.7Very high1 Ų127.1 Ų27.10%0.00415%0.147CC..Hα-helixtrans-66-42.3176.2-165.5-95.5000111.7I33 H34 G35 D36 H40 Y41 I42 L67 I68 F80 F110 I174 F179I33-F38 HydrophobicContact CG2-CB 4Å; I33-F38 HydrophobicContact CG2-CD2 3.81Å; I33-F38 HydrophobicContact CG2-CG 4.18Å; H34-F38 PolarHBondContact O-N 3.31Å; G35-F38 PolarHBondContact O-N 2.97Å; D36-F38 VanDerWaalsContact C-N 3.31Å; D36-F38 PolarHBondContact O-N 3.25Å; F38-H40 VanDerWaalsContact C-N 3.35Å; F38-Y41 PolarHBondContact O-N 2.93Å; F38-I42 HydrophobicContact CD1-CD1 3.59Å; F38-I42 HydrophobicContact CD1-CG1 4.35Å; F38-I42 HydrophobicContact CE1-CD1 3.45Å; F38-I42 VanDerWaalsContact CE1-CD1 3.45Å; F38-I42 HydrophobicContact CE1-CG1 4.22Å; F38-I42 HydrophobicContact CZ-CD1 4.38Å; F38-I42 WeakPolarHBondContact O-CG1 3.43Å; F38-I42 PolarHBondContact O-N 3.16Å; F38-L67 HydrophobicContact CZ-CB 4.34Å; F38-L67 HydrophobicContact CZ-CD1 4.37Å; F38-I68 HydrophobicContact CE1-CD1 4.46Å; F38-F80 HydrophobicContact CB-CE1 4Å; F38-F80 AromaticContact CD1-CE1 3.86Å; F38-F80 HydrophobicContact CD1-CE1 3.86Å; F38-F80 HydrophobicContact CD1-CZ 4.25Å; F38-F80 HydrophobicContact CD2-CE1 4.18Å; F38-F80 HydrophobicContact CE1-CE1 4.35Å; F38-F80 HydrophobicContact CE1-CZ 4.29Å; F38-F80 AromaticContact CG-CE1 3.76Å; F38-F80 HydrophobicContact CG-CE1 3.76Å; F38-F80 HydrophobicContact CG-CZ 4.4Å; F38-F110 AromaticContact CD1-CE1 3.99Å; F38-F110 HydrophobicContact CD1-CE1 3.99Å; F38-F110 AromaticContact CD1-CE2 3.85Å; F38-F110 HydrophobicContact CD1-CE2 3.85Å; F38-F110 AromaticContact CD1-CZ 3.33Å; F38-F110 HydrophobicContact CD1-CZ 3.33Å; F38-F110 AromaticContact CE1-CE2 3.87Å; F38-F110 HydrophobicContact CE1-CE2 3.87Å; F38-F110 AromaticContact CE1-CZ 3.67Å; F38-F110 HydrophobicContact CE1-CZ 3.67Å; F38-F110 HydrophobicContact CG-CZ 4.34Å; F38-I174 HydrophobicContact CB-CD1 4.06Å; F38-I174 HydrophobicContact CD2-CD1 3.5Å; F38-I174 VanDerWaalsContact CD2-CD1 3.5Å; F38-I174 HydrophobicContact CD2-CG1 4.45Å; F38-I174 HydrophobicContact CE2-CD1 4.34Å; F38-I174 HydrophobicContact CG-CD1 4.15Å; F38-F179 HydrophobicContact CE2-CZ 4.14Å
39I93.5Very high90Very high0 Ų020.8 Ų20.80%012%0.12CC..Hα-helixtrans-59.4-48.2172-65.4165.5000110G35 D36 Y41 I42 L43 F60 F82 I103 K107 F110G35-I39 WeakPolarHBondContact O-CG1 3.23Å; G35-I39 PolarHBondContact O-N 3.32Å; D36-I39 WeakPolarHBondContact O-CB 3.22Å; D36-I39 PolarHBondContact O-N 3.49Å; I39-Y41 VanDerWaalsContact C-N 3.35Å; I39-Y41 PolarHBondContact O-N 3.01Å; I39-I42 PolarHBondContact O-N 2.93Å; I39-L43 HydrophobicContact CG2-CD1 3.75Å; I39-L43 HydrophobicContact CG2-CG 4.36Å; I39-L43 VanDerWaalsContact O-CG 3.3Å; I39-L43 WeakPolarHBondContact O-CG 3.1Å; I39-L43 PolarHBondContact O-N 3.26Å; I39-F60 HydrophobicContact CB-CZ 4.41Å; I39-F60 HydrophobicContact CG1-CZ 4.15Å; I39-F60 HydrophobicContact CG2-CE2 3.99Å; I39-F60 HydrophobicContact CG2-CZ 3.99Å; I39-F82 HydrophobicContact CD1-CE1 3.88Å; I39-I103 HydrophobicContact CB-CG2 4.24Å; I39-I103 HydrophobicContact CD1-CG2 4.36Å; I39-I103 HydrophobicContact CG2-CB 4.44Å; I39-I103 HydrophobicContact CG2-CG1 4.43Å; I39-I103 HydrophobicContact CG2-CG2 4.07Å; I39-K107 HydrophobicContact CD1-CB 4.02Å; I39-K107 HydrophobicContact CD1-CG 4.04Å; I39-F110 HydrophobicContact CD1-CB 4.08Å; I39-F110 HydrophobicContact CD1-CD1 3.91Å; I39-F110 HydrophobicContact CD1-CG 4.32Å; I39-F110 HydrophobicContact CG1-CB 4.02Å; I39-F110 HydrophobicContact CG1-CD1 3.64Å; I39-F110 HydrophobicContact CG1-CE1 4.34Å; I39-F110 HydrophobicContact CG1-CG 3.92Å
40H89.2Confident88.4Confident22 Ų2227.6 Ų27.610%0.10215%0.148CC..Hα-helixtrans-58.8-45.4178.7-177.263.5000112.4D36 D37 F38 I42 L43 K44 Y95 I103D36-H40 PolarHBondContact O-N 3.35Å; D37-H40 PolarHBondContact O-N 3.25Å; F38-H40 VanDerWaalsContact C-N 3.35Å; H40-I42 PolarHBondContact O-N 3.41Å; H40-L43 PolarHBondContact O-N 3.22Å; H40-K44 WeakPolarHBondContact NE2-CD 3.28Å; H40-K44 WeakPolarHBondContact O-CB 3.35Å; H40-K44 PolarHBondContact O-N 2.89Å; H40-Y95 HydrophobicContact CB-CE1 3.89Å; H40-Y95 AromaticContact CD2-CE1 3.8Å; H40-Y95 AromaticContact CG-CE1 3.52Å; H40-Y95 AromaticContact ND1-CE1 3.73Å; H40-I103 HydrophobicContact CB-CD1 3.86Å; H40-I103 HydrophobicContact CB-CG1 4.37Å
41Y90.2Very high86.3Confident16 Ų1630.9 Ų30.96%0.06316%0.164CC..Hα-helixtrans-58.5-45.8176.6169.9-97.7000111.7D37 F38 I39 N45 V46 I174 F179D37-Y41 WeakPolarHBondContact O-CB 3.47Å; D37-Y41 PolarHBondContact O-N 3.02Å; F38-Y41 PolarHBondContact O-N 2.93Å; I39-Y41 VanDerWaalsContact C-N 3.35Å; I39-Y41 PolarHBondContact O-N 3.01Å; Y41-N45 HydrophobicContact CD2-CB 3.68Å; Y41-N45 HydrophobicContact CE2-CB 3.71Å; Y41-N45 HydrophobicContact CG-CB 4.38Å; Y41-N45 WeakPolarHBondContact O-CA 3.43Å; Y41-N45 VanDerWaalsContact O-CB 3.24Å; Y41-N45 WeakPolarHBondContact O-CB 3.31Å; Y41-N45 PolarHBondContact O-N 3.32Å; Y41-V46 HydrophobicContact CD1-CG2 4.15Å; Y41-V46 HydrophobicContact CE1-CG2 3.61Å; Y41-V46 PolarHBondContact O-N 3.08Å; Y41-I174 HydrophobicContact CD1-CD1 4.07Å; Y41-I174 HydrophobicContact CD1-CG1 4.21Å; Y41-I174 HydrophobicContact CD2-CG1 4.18Å; Y41-I174 HydrophobicContact CD2-CG2 4.04Å; Y41-I174 HydrophobicContact CG-CD1 3.81Å; Y41-I174 HydrophobicContact CG-CG1 3.92Å; Y41-I174 HydrophobicContact CG-CG2 4.26Å; Y41-F179 HydrophobicContact CE1-CD2 4.19Å; Y41-F179 AromaticContact CE1-CE2 3.79Å; Y41-F179 HydrophobicContact CE1-CE2 3.79Å
42I92Very high84.3Confident0 Ų033.5 Ų33.50%018%0.179CC..Iπ-helixtrans-58.9-53.2176.9-69.7164.8000110.6F38 I39 H40 K44 V46 I47 F60 T63 A64 L67 F110F38-I42 HydrophobicContact CD1-CD1 3.59Å; F38-I42 HydrophobicContact CD1-CG1 4.35Å; F38-I42 HydrophobicContact CE1-CD1 3.45Å; F38-I42 VanDerWaalsContact CE1-CD1 3.45Å; F38-I42 HydrophobicContact CE1-CG1 4.22Å; F38-I42 HydrophobicContact CZ-CD1 4.38Å; F38-I42 WeakPolarHBondContact O-CG1 3.43Å; F38-I42 PolarHBondContact O-N 3.16Å; I39-I42 PolarHBondContact O-N 2.93Å; H40-I42 PolarHBondContact O-N 3.41Å; I42-K44 VanDerWaalsContact C-N 3.35Å; I42-K44 PolarHBondContact O-N 3.43Å; I42-V46 WeakPolarHBondContact O-CB 3.33Å; I42-V46 PolarHBondContact O-N 3.3Å; I42-I47 HydrophobicContact CG2-CD1 3.7Å; I42-I47 HydrophobicContact CG2-CG1 4.08Å; I42-I47 PolarHBondContact O-N 3.1Å; I42-F60 HydrophobicContact CB-CD2 4.43Å; I42-F60 HydrophobicContact CB-CE2 3.92Å; I42-F60 HydrophobicContact CD1-CE2 4.2Å; I42-F60 HydrophobicContact CD1-CZ 4.33Å; I42-F60 HydrophobicContact CG2-CD2 3.69Å; I42-F60 HydrophobicContact CG2-CE2 3.66Å; I42-T63 HydrophobicContact CG2-CG2 3.9Å; I42-A64 HydrophobicContact CD1-CB 3.81Å; I42-L67 HydrophobicContact CD1-CD1 4.17Å; I42-L67 HydrophobicContact CG1-CD1 3.61Å; I42-F110 HydrophobicContact CD1-CE2 4.5Å
43L89.6Confident82.3Confident3 Ų336 Ų362%0.01619%0.192CC..Iπ-helixtrans-59.2-47.5-175.4-67.2168.6000111.1I39 H40 G48 F49 F60 V102 Y106I39-L43 HydrophobicContact CG2-CD1 3.75Å; I39-L43 HydrophobicContact CG2-CG 4.36Å; I39-L43 VanDerWaalsContact O-CG 3.3Å; I39-L43 WeakPolarHBondContact O-CG 3.1Å; I39-L43 PolarHBondContact O-N 3.26Å; H40-L43 PolarHBondContact O-N 3.22Å; L43-G48 PolarHBondContact O-N 3.32Å; L43-F49 HydrophobicContact CB-CD2 4.17Å; L43-F49 HydrophobicContact CD2-CD2 3.6Å; L43-F49 HydrophobicContact CD2-CE2 3.56Å; L43-F49 HydrophobicContact CG-CD2 4.48Å; L43-F49 WeakPolarHBondContact O-CB 3.46Å; L43-F49 PolarHBondContact O-N 2.92Å; L43-F60 HydrophobicContact CD2-CD2 3.54Å; L43-F60 HydrophobicContact CD2-CE2 4.05Å; L43-F60 HydrophobicContact CD2-CG 4.44Å; L43-F60 HydrophobicContact CG-CD2 4.05Å; L43-F60 HydrophobicContact CG-CE2 4.06Å; L43-V102 HydrophobicContact CD1-CG1 4.09Å; L43-Y106 HydrophobicContact CD1-CD2 3.82Å; L43-Y106 HydrophobicContact CD1-CE2 4.25Å; L43-Y106 HydrophobicContact CD1-CG 4.38Å; L43-Y106 HydrophobicContact CD2-CD1 4.33Å; L43-Y106 HydrophobicContact CD2-CD2 3.79Å; L43-Y106 HydrophobicContact CD2-CE1 4.16Å; L43-Y106 HydrophobicContact CD2-CE2 3.61Å; L43-Y106 HydrophobicContact CD2-CG 4.14Å; L43-Y106 HydrophobicContact CG-CD2 4.45Å
44K85Confident80.7Confident64 Ų6439 Ų3928%0.27821%0.205SC..Iπ-helixtrans-86.2-48.6-172.6-178.1175.1175.5177.70113.6M4 H40 I42 G48M4-K44 PolarHBondContact O-NZ 3.35Å; H40-K44 WeakPolarHBondContact NE2-CD 3.28Å; H40-K44 WeakPolarHBondContact O-CB 3.35Å; H40-K44 PolarHBondContact O-N 2.89Å; I42-K44 VanDerWaalsContact C-N 3.35Å; I42-K44 PolarHBondContact O-N 3.43Å; K44-G48 WeakPolarHBondContact O-CA 3.22Å
45N85.8Confident79.9Confident88 Ų8839 Ų3947%0.47121%0.206SC..Iπ-helixtrans-93.3-26.3-168.2-6678.4000113.4Y41Y41-N45 HydrophobicContact CD2-CB 3.68Å; Y41-N45 HydrophobicContact CE2-CB 3.71Å; Y41-N45 HydrophobicContact CG-CB 4.38Å; Y41-N45 WeakPolarHBondContact O-CA 3.43Å; Y41-N45 VanDerWaalsContact O-CB 3.24Å; Y41-N45 WeakPolarHBondContact O-CB 3.31Å; Y41-N45 PolarHBondContact O-N 3.32Å
46V87.8Confident79.5Confident45 Ų4540.1 Ų40.127%0.27321%0.211SC..Iπ-helixtrans-102.4-50.2-177.1-174.50000111Y41 I42 T63 L67 F180Y41-V46 HydrophobicContact CD1-CG2 4.15Å; Y41-V46 HydrophobicContact CE1-CG2 3.61Å; Y41-V46 PolarHBondContact O-N 3.08Å; I42-V46 WeakPolarHBondContact O-CB 3.33Å; I42-V46 PolarHBondContact O-N 3.3Å; V46-T63 HydrophobicContact CB-CG2 4.18Å; V46-T63 HydrophobicContact CG1-CG2 3.45Å; V46-T63 VanDerWaalsContact CG1-CG2 3.45Å; V46-L67 HydrophobicContact CG2-CD1 4.2Å; V46-F180 HydrophobicContact CG1-CZ 4.15Å
47I86.8Confident79.4Confident37 Ų3740.1 Ų40.119%0.1921%0.211CC..SBendtrans-82-29.7179.8-55.6173.5000111I42 F49 L59 F60 T63I42-I47 HydrophobicContact CG2-CD1 3.7Å; I42-I47 HydrophobicContact CG2-CG1 4.08Å; I42-I47 PolarHBondContact O-N 3.1Å; I47-F49 HydrophobicContact CB-CD1 4.32Å; I47-F49 HydrophobicContact CB-CE1 4.25Å; I47-F49 HydrophobicContact CG2-CD1 3.58Å; I47-F49 HydrophobicContact CG2-CE1 3.17Å; I47-F49 HydrophobicContact CG2-CE2 4.36Å; I47-F49 HydrophobicContact CG2-CG 4.35Å; I47-F49 HydrophobicContact CG2-CZ 3.61Å; I47-L59 HydrophobicContact CD1-CG 4.38Å; I47-L59 HydrophobicContact CG2-CD2 3.81Å; I47-L59 HydrophobicContact CG2-CG 4.19Å; I47-F60 HydrophobicContact CD1-CB 4.22Å; I47-F60 HydrophobicContact CD1-CD2 4.18Å; I47-T63 HydrophobicContact CD1-CG2 4.41Å; I47-T63 HydrophobicContact CG1-CG2 3.96Å
48G79.7Confident79.4Confident44 Ų4440.7 Ų40.745%0.45421%0.214SC..  trans81.932.1178.800000113.6L43 K44 E50L43-G48 PolarHBondContact O-N 3.32Å; K44-G48 WeakPolarHBondContact O-CA 3.22Å; G48-E50 PolarHBondContact O-N 2.9Å
49F73.6Confident79.2Confident28 Ų2842.3 Ų42.312%0.12322%0.222CC..  trans-68.899.9172.1-67.4-11.1000110.1L43 I47 H54 E56 Y106L43-F49 HydrophobicContact CB-CD2 4.17Å; L43-F49 HydrophobicContact CD2-CD2 3.6Å; L43-F49 HydrophobicContact CD2-CE2 3.56Å; L43-F49 HydrophobicContact CG-CD2 4.48Å; L43-F49 WeakPolarHBondContact O-CB 3.46Å; L43-F49 PolarHBondContact O-N 2.92Å; I47-F49 HydrophobicContact CB-CD1 4.32Å; I47-F49 HydrophobicContact CB-CE1 4.25Å; I47-F49 HydrophobicContact CG2-CD1 3.58Å; I47-F49 HydrophobicContact CG2-CE1 3.17Å; I47-F49 HydrophobicContact CG2-CE2 4.36Å; I47-F49 HydrophobicContact CG2-CG 4.35Å; I47-F49 HydrophobicContact CG2-CZ 3.61Å; F49-H54 HydrophobicContact CD1-CB 3.6Å; F49-H54 HydrophobicContact CD2-CB 4.31Å; F49-H54 HydrophobicContact CE1-CB 3.36Å; F49-H54 HydrophobicContact CE2-CB 4.16Å; F49-H54 WeakPolarHBondContact CE2-O 3.47Å; F49-H54 HydrophobicContact CG-CB 4.08Å; F49-H54 HydrophobicContact CZ-CB 3.69Å; F49-H54 VanDerWaalsContact CZ-O 3.32Å; F49-H54 WeakPolarHBondContact CZ-O 3.34Å; F49-E56 HydrophobicContact CZ-CB 4.22Å; F49-Y106 WeakPolarHBondContact CE2-OH 3.45Å
50E59.2Low79.1Confident186 Ų18642.3 Ų42.387%0.86922%0.222SC*.  trans-79.5-33.6170.3-62.9-169.816100111.2G48G48-E50 PolarHBondContact O-N 2.9Å
51D51.4Low79.3Confident109 Ų10941.2 Ų41.258%0.58322%0.217SC*.SBendtrans-124.8145.2-177.3-69.2-35.9000113.5N53 H54D51-N53 PolarHBondContact O-N 3.47Å; D51-H54 PolarHBondContact O-ND1 3.46Å
52N52.7Low79.2Confident57 Ų5741.1 Ų41.131%0.30522%0.217SC..THydrogen-bonded Turntrans-57.6-2.3-177.3-62.3-37000116Q98N52-Q98 PolarHBondContact ND2-OE1 3.19Å; N52-Q98 VanDerWaalsContact ND2-OE1 3.09Å
53N52.9Low79.2Confident53 Ų5342 Ų4228%0.28322%0.223SC..THydrogen-bonded Turntrans-85.1-7.1-170.4-68.3-12.3000114.1D51D51-N53 PolarHBondContact O-N 3.47Å
54H62.9Low79.4Confident65 Ų6541.9 Ų41.930%0.30122%0.222SC..  trans-102.984.3-175.8-53.784.6000109.8F49 D51 E56 Y106 H613F49-H54 HydrophobicContact CD1-CB 3.6Å; F49-H54 HydrophobicContact CD2-CB 4.31Å; F49-H54 HydrophobicContact CE1-CB 3.36Å; F49-H54 HydrophobicContact CE2-CB 4.16Å; F49-H54 WeakPolarHBondContact CE2-O 3.47Å; F49-H54 HydrophobicContact CG-CB 4.08Å; F49-H54 HydrophobicContact CZ-CB 3.69Å; F49-H54 VanDerWaalsContact CZ-O 3.32Å; F49-H54 WeakPolarHBondContact CZ-O 3.34Å; D51-H54 PolarHBondContact O-ND1 3.46Å; H54-E56 PolarHBondContact O-N 3.27Å; H54-Y106 PolarHBondContact O-OH 2.96Å; H54-H613 AromaticContact CD2-NE2 3.3Å; H54-H613 PolarHBondContact CD2-NE2 2.92Å; H54-H613 VanDerWaalsContact CD2-NE2 3.3Å; H54-H613 AromaticContact NE2-NE2 3.99Å
55N75.5Confident79.7Confident1 Ų138.8 Ų38.81%0.00521%0.209CC..  trans-94.872.7174.8-66-77.6000109.7F57 R105 Y106 L567 F612N55-F57 HydrophobicContact CB-CE2 3.94Å; N55-R105 PolarHBondContact OD1-NH2 3.5Å; N55-Y106 VanDerWaalsContact CA-OH 3.27Å; N55-Y106 WeakPolarHBondContact CA-OH 3.38Å; N55-L567 VanDerWaalsContact ND2-CD1 3.27Å; N55-L567 WeakPolarHBondContact ND2-CD1 3.23Å; N55-F612 HydrophobicContact CB-CB 4.11Å; N55-F612 HydrophobicContact CB-CD1 3.93Å; N55-F612 HydrophobicContact CB-CD2 3.36Å; N55-F612 HydrophobicContact CB-CE1 4.17Å; N55-F612 HydrophobicContact CB-CE2 3.58Å; N55-F612 HydrophobicContact CB-CG 3.53Å; N55-F612 HydrophobicContact CB-CZ 3.99Å; N55-F612 WeakPolarHBondContact O-CD1 3.45Å; N55-F612 PolarHBondContact O-N 2.78Å
56E86.9Confident80Confident24 Ų2439.1 Ų39.111%0.11221%0.211CC..  trans-105.979.4-175.7-62.3-62.813200110.3F49 H54 L58 L59 F60 Y106 S611 F612 H613F49-E56 HydrophobicContact CZ-CB 4.22Å; H54-E56 PolarHBondContact O-N 3.27Å; E56-L58 VanDerWaalsContact C-N 3.35Å; E56-L58 PolarHBondContact O-N 3.05Å; E56-L59 HydrophobicContact CB-CB 3.83Å; E56-L59 HydrophobicContact CB-CD2 4.18Å; E56-L59 PolarHBondContact O-N 3.3Å; E56-F60 WeakPolarHBondContact O-CB 3.42Å; E56-F60 PolarHBondContact O-N 2.89Å; E56-Y106 PolarHBondContact N-OH 3.07Å; E56-S611 PolarHBondContact OE1-OG 3.06Å; E56-S611 WeakPolarHBondContact OE2-CA 3.5Å; E56-S611 WeakPolarHBondContact OE2-CB 3.44Å; E56-S611 PolarHBondContact OE2-OG 3.32Å; E56-F612 PolarHBondContact OE1-N 2.8Å; E56-H613 IonicContact OE1-CD2 3.62Å; E56-H613 PolarHBondContact OE1-CD2 3.12Å; E56-H613 IonicContact OE1-CG 3.92Å; E56-H613 PolarHBondContact OE1-N 3.45Å; E56-H613 VanDerWaalsContact OE1-N 3.12Å
57F89.1Confident80.2Confident0 Ų037.2 Ų37.20%020%0.199CC..Hα-helixtrans-65.6-34.8-174-66.7-88.7000113.5N55 S61 R105 Y106 S109 Q574 W606 F609 P610 F612N55-F57 HydrophobicContact CB-CE2 3.94Å; F57-S61 VanDerWaalsContact O-CB 3.32Å; F57-S61 WeakPolarHBondContact O-CB 3.37Å; F57-S61 PolarHBondContact O-N 3.29Å; F57-S61 PolarHBondContact O-OG 3.28Å; F57-R105 HydrophobicContact CE1-CB 4.44Å; F57-R105 HydrophobicContact CZ-CB 4.41Å; F57-Y106 AromaticContact CD1-CD1 3.75Å; F57-Y106 HydrophobicContact CD1-CD1 3.75Å; F57-Y106 AromaticContact CD1-CE1 3.71Å; F57-Y106 HydrophobicContact CD1-CE1 3.71Å; F57-Y106 AromaticContact CE1-CD1 3.93Å; F57-Y106 HydrophobicContact CE1-CD1 3.93Å; F57-Y106 AromaticContact CE1-CE1 3.99Å; F57-Y106 HydrophobicContact CE1-CE1 3.99Å; F57-Y106 HydrophobicContact CE1-CG 4.34Å; F57-Y106 HydrophobicContact CG-CE1 4.14Å; F57-S109 WeakPolarHBondContact CD1-OG 3.48Å; F57-Q574 VanDerWaalsContact CZ-NE2 3.28Å; F57-W606 HydrophobicContact CB-CB 3.82Å; F57-W606 WeakPolarHBondContact O-CB 3.28Å; F57-F609 WeakPolarHBondContact CD2-O 3.41Å; F57-P610 PolarHBondContact N-O 2.89Å; F57-F612 HydrophobicContact CD2-CE1 4.16Å; F57-F612 HydrophobicContact CE2-CD1 4.26Å; F57-F612 AromaticContact CE2-CE1 3.63Å; F57-F612 HydrophobicContact CE2-CE1 3.63Å; F57-F612 AromaticContact CE2-CZ 3.97Å; F57-F612 HydrophobicContact CE2-CZ 3.97Å
58L89.8Confident80.5Confident11 Ų1135.5 Ų35.56%0.05819%0.19CC..Hα-helixtrans-65.4-49.8175.2179.163.2000110.6E56 F60 S61 M62 L526 Y530 W606 P610E56-L58 VanDerWaalsContact C-N 3.35Å; E56-L58 PolarHBondContact O-N 3.05Å; L58-F60 VanDerWaalsContact C-N 3.33Å; L58-F60 PolarHBondContact O-N 3.09Å; L58-S61 PolarHBondContact O-N 2.88Å; L58-M62 HydrophobicContact CD1-CG 4.19Å; L58-M62 HydrophobicContact CD1-SD 3.87Å; L58-M62 HydrophobicContact CD2-SD 4.42Å; L58-M62 HydrophobicContact CG-CG 4.5Å; L58-M62 HydrophobicContact CG-SD 3.78Å; L58-M62 WeakPolarHBondContact O-CB 3.38Å; L58-M62 VanDerWaalsContact O-CG 3.28Å; L58-M62 WeakPolarHBondContact O-CG 3.45Å; L58-M62 PolarHBondContact O-N 3.37Å; L58-L526 HydrophobicContact CD2-CD2 3.95Å; L58-L526 HydrophobicContact CD2-CG 3.95Å; L58-Y530 HydrophobicContact CD2-CD2 3.84Å; L58-Y530 HydrophobicContact CD2-CE2 3.8Å; L58-W606 HydrophobicContact CD1-CE3 4.07Å; L58-W606 HydrophobicContact CD1-CZ3 4.43Å; L58-P610 HydrophobicContact CB-CB 4.01Å; L58-P610 WeakPolarHBondContact CB-O 3.43Å; L58-P610 HydrophobicContact CD2-CB 4.3Å; L58-P610 PolarHBondContact N-O 2.89Å
59L89.1Confident81Confident35 Ų3536 Ų3618%0.18318%0.183CC..Hα-helixtrans-57.4-46.3176.3170.751.5000111.5I47 E56 M62 T63I47-L59 HydrophobicContact CD1-CG 4.38Å; I47-L59 HydrophobicContact CG2-CD2 3.81Å; I47-L59 HydrophobicContact CG2-CG 4.19Å; E56-L59 HydrophobicContact CB-CB 3.83Å; E56-L59 HydrophobicContact CB-CD2 4.18Å; E56-L59 PolarHBondContact O-N 3.3Å; L59-M62 PolarHBondContact O-N 3.15Å; L59-T63 VanDerWaalsContact O-CB 3.32Å; L59-T63 WeakPolarHBondContact O-CB 3.46Å; L59-T63 PolarHBondContact O-N 2.65Å; L59-T63 PolarHBondContact O-OG1 3.23Å
60F92Very high81.8Confident0 Ų037.3 Ų37.30%019%0.189CC..Hα-helixtrans-58.3-49.9175.6173.6-92000111.8I39 I42 L43 I47 E56 L58 M62 T63 A64 Y106 F110I39-F60 HydrophobicContact CB-CZ 4.41Å; I39-F60 HydrophobicContact CG1-CZ 4.15Å; I39-F60 HydrophobicContact CG2-CE2 3.99Å; I39-F60 HydrophobicContact CG2-CZ 3.99Å; I42-F60 HydrophobicContact CB-CD2 4.43Å; I42-F60 HydrophobicContact CB-CE2 3.92Å; I42-F60 HydrophobicContact CD1-CE2 4.2Å; I42-F60 HydrophobicContact CD1-CZ 4.33Å; I42-F60 HydrophobicContact CG2-CD2 3.69Å; I42-F60 HydrophobicContact CG2-CE2 3.66Å; L43-F60 HydrophobicContact CD2-CD2 3.54Å; L43-F60 HydrophobicContact CD2-CE2 4.05Å; L43-F60 HydrophobicContact CD2-CG 4.44Å; L43-F60 HydrophobicContact CG-CD2 4.05Å; L43-F60 HydrophobicContact CG-CE2 4.06Å; I47-F60 HydrophobicContact CD1-CB 4.22Å; I47-F60 HydrophobicContact CD1-CD2 4.18Å; E56-F60 WeakPolarHBondContact O-CB 3.42Å; E56-F60 PolarHBondContact O-N 2.89Å; L58-F60 VanDerWaalsContact C-N 3.33Å; L58-F60 PolarHBondContact O-N 3.09Å; F60-M62 VanDerWaalsContact C-N 3.35Å; F60-M62 PolarHBondContact O-N 3.09Å; F60-T63 PolarHBondContact O-N 3.39Å; F60-A64 HydrophobicContact CE1-CB 4.42Å; F60-A64 WeakPolarHBondContact O-CB 3.33Å; F60-A64 PolarHBondContact O-N 3.25Å; F60-Y106 HydrophobicContact CB-CD1 3.72Å; F60-Y106 HydrophobicContact CB-CE1 3.47Å; F60-Y106 VanDerWaalsContact CB-CE1 3.47Å; F60-Y106 AromaticContact CD1-CD1 3.54Å; F60-Y106 HydrophobicContact CD1-CD1 3.54Å; F60-Y106 HydrophobicContact CD1-CE1 4.22Å; F60-Y106 HydrophobicContact CD1-CG 4.39Å; F60-Y106 AromaticContact CD2-CD1 3.85Å; F60-Y106 HydrophobicContact CD2-CD1 3.85Å; F60-Y106 HydrophobicContact CD2-CE1 4.21Å; F60-Y106 HydrophobicContact CD2-CG 4.34Å; F60-Y106 HydrophobicContact CE1-CD1 4.12Å; F60-Y106 HydrophobicContact CE2-CD1 4.38Å; F60-Y106 AromaticContact CG-CD1 3.38Å; F60-Y106 HydrophobicContact CG-CD1 3.38Å; F60-Y106 AromaticContact CG-CE1 3.7Å; F60-Y106 HydrophobicContact CG-CE1 3.7Å; F60-Y106 HydrophobicContact CG-CG 4.27Å; F60-F110 HydrophobicContact CE1-CB 3.82Å; F60-F110 HydrophobicContact CE1-CD2 4.38Å; F60-F110 HydrophobicContact CE1-CG 4.46Å; F60-F110 HydrophobicContact CZ-CB 4.02Å; F60-F110 HydrophobicContact CZ-CD2 4.3Å; F60-F110 HydrophobicContact CZ-CG 4.34Å
61S92.3Very high83.3Confident0 Ų028.8 Ų28.80%015%0.15CC..Hα-helixtrans-65.6-38.9-176.3-55.90000111.8F57 L58 S65 W606F57-S61 VanDerWaalsContact O-CB 3.32Å; F57-S61 WeakPolarHBondContact O-CB 3.37Å; F57-S61 PolarHBondContact O-N 3.29Å; F57-S61 PolarHBondContact O-OG 3.28Å; L58-S61 PolarHBondContact O-N 2.88Å; S61-S65 VanDerWaalsContact O-CB 3.24Å; S61-S65 WeakPolarHBondContact O-CB 3.4Å; S61-S65 PolarHBondContact O-N 3.18Å; S61-S65 PolarHBondContact O-OG 2.89Å; S61-W606 VanDerWaalsContact OG-CB 3.26Å; S61-W606 WeakPolarHBondContact OG-CB 3.47Å; S61-W606 VanDerWaalsContact OG-CG 3.31Å
62M89.8Confident85.2Confident13 Ų1328.4 Ų28.46%0.06414%0.143CC..Hα-helixtrans-65.4-43.4173.8-70.1172.866.500111.9L58 L59 F60 S65 N66 M522 S523 Q527L58-M62 HydrophobicContact CD1-CG 4.19Å; L58-M62 HydrophobicContact CD1-SD 3.87Å; L58-M62 HydrophobicContact CD2-SD 4.42Å; L58-M62 HydrophobicContact CG-CG 4.5Å; L58-M62 HydrophobicContact CG-SD 3.78Å; L58-M62 WeakPolarHBondContact O-CB 3.38Å; L58-M62 VanDerWaalsContact O-CG 3.28Å; L58-M62 WeakPolarHBondContact O-CG 3.45Å; L58-M62 PolarHBondContact O-N 3.37Å; L59-M62 PolarHBondContact O-N 3.15Å; F60-M62 VanDerWaalsContact C-N 3.35Å; F60-M62 PolarHBondContact O-N 3.09Å; M62-S65 PolarHBondContact O-N 3.41Å; M62-N66 VanDerWaalsContact O-CG 3.27Å; M62-N66 PolarHBondContact O-N 2.84Å; M62-N66 PolarHBondContact O-ND2 3.45Å; M62-M522 HydrophobicContact CB-SD 4.43Å; M62-M522 HydrophobicContact CG-SD 4.05Å; M62-S523 WeakPolarHBondContact CE-O 3.2Å; M62-Q527 HydrophobicContact CE-CB 4.03Å; M62-Q527 HydrophobicContact SD-CB 4.01Å
63T91Very high86.9Confident19 Ų1931.6 Ų31.612%0.11716%0.157CC..Hα-helixtrans-63.9-48.6177.5-57.40000111.3I42 V46 I47 L59 F60 S65 N66 L67I42-T63 HydrophobicContact CG2-CG2 3.9Å; V46-T63 HydrophobicContact CB-CG2 4.18Å; V46-T63 HydrophobicContact CG1-CG2 3.45Å; V46-T63 VanDerWaalsContact CG1-CG2 3.45Å; I47-T63 HydrophobicContact CD1-CG2 4.41Å; I47-T63 HydrophobicContact CG1-CG2 3.96Å; L59-T63 VanDerWaalsContact O-CB 3.32Å; L59-T63 WeakPolarHBondContact O-CB 3.46Å; L59-T63 PolarHBondContact O-N 2.65Å; L59-T63 PolarHBondContact O-OG1 3.23Å; F60-T63 PolarHBondContact O-N 3.39Å; T63-S65 VanDerWaalsContact C-N 3.26Å; T63-S65 PolarHBondContact O-N 3.43Å; T63-N66 PolarHBondContact O-N 2.93Å; T63-L67 WeakPolarHBondContact O-CG 3.46Å; T63-L67 PolarHBondContact O-N 3.5Å; T63-L67 VanDerWaalsContact O-N 3.07Å
64A93.7Very high88.7Confident0 Ų029.3 Ų29.30%015%0.145CC..Hα-helixtrans-56.1-44.3175.800000110.9I42 F60 N66 L67 I68 F110 V113I42-A64 HydrophobicContact CD1-CB 3.81Å; F60-A64 HydrophobicContact CE1-CB 4.42Å; F60-A64 WeakPolarHBondContact O-CB 3.33Å; F60-A64 PolarHBondContact O-N 3.25Å; A64-N66 PolarHBondContact O-N 3.38Å; A64-L67 PolarHBondContact O-N 3.35Å; A64-I68 WeakPolarHBondContact O-CB 3.29Å; A64-I68 VanDerWaalsContact O-CG1 3.31Å; A64-I68 WeakPolarHBondContact O-CG1 3.3Å; A64-I68 PolarHBondContact O-N 3.47Å; A64-F110 HydrophobicContact CB-CD2 3.92Å; A64-F110 HydrophobicContact CB-CE2 4.07Å; A64-V113 HydrophobicContact CB-CG1 4.29Å
65S92.5Very high90.1Very high0 Ų031.2 Ų31.20%016%0.158CC..Hα-helixtrans-66.4-37.8179.8-61.30000113.2S61 M62 T63 I68 N69 V113 M522S61-S65 VanDerWaalsContact O-CB 3.24Å; S61-S65 WeakPolarHBondContact O-CB 3.4Å; S61-S65 PolarHBondContact O-N 3.18Å; S61-S65 PolarHBondContact O-OG 2.89Å; M62-S65 PolarHBondContact O-N 3.41Å; T63-S65 VanDerWaalsContact C-N 3.26Å; T63-S65 PolarHBondContact O-N 3.43Å; S65-I68 PolarHBondContact O-N 3.02Å; S65-N69 VanDerWaalsContact O-CB 3.31Å; S65-N69 WeakPolarHBondContact O-CB 3.12Å; S65-N69 VanDerWaalsContact O-CG 3.3Å; S65-N69 PolarHBondContact O-N 2.7Å; S65-N69 PolarHBondContact O-ND2 3.38Å; S65-V113 VanDerWaalsContact OG-CG1 3.25Å; S65-V113 WeakPolarHBondContact OG-CG1 3.33Å; S65-M522 WeakPolarHBondContact CB-SD 3.15Å; S65-M522 WeakPolarHBondContact OG-CE 3.4Å
66N90.4Very high90.9Very high95 Ų9531.6 Ų31.651%0.50816%0.16SC..Hα-helixtrans-62.1-44173.3-73.2-23000111.4M62 T63 A64 N69 Q70M62-N66 VanDerWaalsContact O-CG 3.27Å; M62-N66 PolarHBondContact O-N 2.84Å; M62-N66 PolarHBondContact O-ND2 3.45Å; T63-N66 PolarHBondContact O-N 2.93Å; A64-N66 PolarHBondContact O-N 3.38Å; N66-N69 WeakPolarHBondContact O-CB 3.31Å; N66-N69 PolarHBondContact O-N 2.92Å; N66-Q70 WeakPolarHBondContact O-CG 3.46Å; N66-Q70 PolarHBondContact O-N 2.95Å
67L92.4Very high91.3Very high4 Ų435 Ų352%0.02118%0.176CC..Hα-helixtrans-65.6-44.2176.6-64.1175.3000111.9F38 I42 V46 T63 A64 N69 Q70 V71 F179 F180F38-L67 HydrophobicContact CZ-CB 4.34Å; F38-L67 HydrophobicContact CZ-CD1 4.37Å; I42-L67 HydrophobicContact CD1-CD1 4.17Å; I42-L67 HydrophobicContact CG1-CD1 3.61Å; V46-L67 HydrophobicContact CG2-CD1 4.2Å; T63-L67 WeakPolarHBondContact O-CG 3.46Å; T63-L67 PolarHBondContact O-N 3.5Å; T63-L67 VanDerWaalsContact O-N 3.07Å; A64-L67 PolarHBondContact O-N 3.35Å; L67-N69 VanDerWaalsContact C-N 3.3Å; L67-N69 PolarHBondContact O-N 2.9Å; L67-Q70 WeakPolarHBondContact O-CB 3.35Å; L67-Q70 PolarHBondContact O-N 3.25Å; L67-Q70 VanDerWaalsContact O-N 3.12Å; L67-V71 WeakPolarHBondContact O-CG2 3.27Å; L67-V71 PolarHBondContact O-N 2.99Å; L67-F179 HydrophobicContact CD2-CB 3.84Å; L67-F179 HydrophobicContact CD2-CD1 4.09Å; L67-F179 HydrophobicContact CD2-CD2 4.1Å; L67-F179 HydrophobicContact CD2-CG 3.75Å; L67-F180 HydrophobicContact CD2-CE1 4.3Å; L67-F180 HydrophobicContact CD2-CZ 3.94Å
68I93.5Very high91.6Very high1 Ų135.3 Ų35.31%0.00518%0.178CC..Hα-helixtrans-60.7-40.7175.4-70.9-56.7000111.2F38 A64 S65 Q70 V71 K72 F80 V113 L114 F117 I119F38-I68 HydrophobicContact CE1-CD1 4.46Å; A64-I68 WeakPolarHBondContact O-CB 3.29Å; A64-I68 VanDerWaalsContact O-CG1 3.31Å; A64-I68 WeakPolarHBondContact O-CG1 3.3Å; A64-I68 PolarHBondContact O-N 3.47Å; S65-I68 PolarHBondContact O-N 3.02Å; I68-Q70 VanDerWaalsContact C-N 3.31Å; I68-Q70 PolarHBondContact O-N 3.24Å; I68-V71 WeakPolarHBondContact O-CB 3.39Å; I68-V71 PolarHBondContact O-N 2.88Å; I68-V71 VanDerWaalsContact O-N 3.16Å; I68-K72 HydrophobicContact CG2-CD 4.42Å; I68-K72 HydrophobicContact CG2-CG 4.5Å; I68-K72 WeakPolarHBondContact O-CG 3.29Å; I68-K72 PolarHBondContact O-N 2.98Å; I68-F80 HydrophobicContact CD1-CE2 3.95Å; I68-F80 HydrophobicContact CD1-CZ 3.84Å; I68-V113 HydrophobicContact CG1-CG1 4.46Å; I68-L114 HydrophobicContact CD1-CD2 4.14Å; I68-F117 HydrophobicContact CB-CD2 4.23Å; I68-F117 HydrophobicContact CB-CE2 4.45Å; I68-F117 HydrophobicContact CG2-CB 3.9Å; I68-F117 HydrophobicContact CG2-CD1 4.14Å; I68-F117 HydrophobicContact CG2-CD2 3.56Å; I68-F117 HydrophobicContact CG2-CE2 4.13Å; I68-F117 HydrophobicContact CG2-CG 3.58Å; I68-I119 HydrophobicContact CB-CD1 4.41Å; I68-I119 HydrophobicContact CD1-CD1 3.88Å; I68-I119 HydrophobicContact CG1-CD1 4.31Å; I68-I119 HydrophobicContact CG2-CD1 3.3Å
69N90.4Very high92Very high56 Ų5634.9 Ų34.930%0.29918%0.175SC..Hα-helixtrans-59.8-41.2173.9-83.2-32000112S65 N66 L67 K72 M73 F117S65-N69 VanDerWaalsContact O-CB 3.31Å; S65-N69 WeakPolarHBondContact O-CB 3.12Å; S65-N69 VanDerWaalsContact O-CG 3.3Å; S65-N69 PolarHBondContact O-N 2.7Å; S65-N69 PolarHBondContact O-ND2 3.38Å; N66-N69 WeakPolarHBondContact O-CB 3.31Å; N66-N69 PolarHBondContact O-N 2.92Å; L67-N69 VanDerWaalsContact C-N 3.3Å; L67-N69 PolarHBondContact O-N 2.9Å; N69-K72 PolarHBondContact O-N 3.43Å; N69-M73 WeakPolarHBondContact O-CG 3.33Å; N69-M73 PolarHBondContact O-N 3.26Å; N69-F117 WeakPolarHBondContact OD1-CE1 2.98Å; N69-F117 WeakPolarHBondContact OD1-CZ 3.28Å
70Q89.6Confident92.4Very high55 Ų5533.2 Ų33.226%0.25717%0.167SC..Hα-helixtrans-62.2-42.7173.9-65.7-56-38.300111.8N66 L67 I68 K72 M73 C74N66-Q70 WeakPolarHBondContact O-CG 3.46Å; N66-Q70 PolarHBondContact O-N 2.95Å; L67-Q70 WeakPolarHBondContact O-CB 3.35Å; L67-Q70 PolarHBondContact O-N 3.25Å; L67-Q70 VanDerWaalsContact O-N 3.12Å; I68-Q70 VanDerWaalsContact C-N 3.31Å; I68-Q70 PolarHBondContact O-N 3.24Å; Q70-K72 VanDerWaalsContact C-N 3.33Å; Q70-K72 PolarHBondContact O-N 3.44Å; Q70-M73 PolarHBondContact O-N 2.86Å; Q70-C74 PolarHBondContact O-N 3.3Å; Q70-C74 PolarHBondContact O-SG 3.41Å
71V91.9Very high92.5Very high7 Ų733.2 Ų33.24%0.04217%0.167CC..Hα-helixtrans-58.2-45.1174.3175.40000111L67 I68 C74 I76 P78 F179 I188L67-V71 WeakPolarHBondContact O-CG2 3.27Å; L67-V71 PolarHBondContact O-N 2.99Å; I68-V71 WeakPolarHBondContact O-CB 3.39Å; I68-V71 PolarHBondContact O-N 2.88Å; I68-V71 VanDerWaalsContact O-N 3.16Å; V71-C74 PolarHBondContact O-N 3.43Å; V71-I76 HydrophobicContact CG1-CB 3.64Å; V71-I76 HydrophobicContact CG1-CG2 3.67Å; V71-I76 WeakPolarHBondContact O-CB 3.39Å; V71-I76 PolarHBondContact O-N 3.14Å; V71-P78 HydrophobicContact CG1-CB 4.38Å; V71-P78 HydrophobicContact CG1-CG 3.99Å; V71-F179 HydrophobicContact CG2-CE1 3.82Å; V71-I188 HydrophobicContact CG2-CD1 3.92Å
72K90Very high92.6Very high100 Ų10033.2 Ų33.244%0.43517%0.167SC..Hα-helixtrans-67.1-38.1177.6-66.7-171.786.3163.90112.8I68 N69 Q70 C74 D75 F117I68-K72 HydrophobicContact CG2-CD 4.42Å; I68-K72 HydrophobicContact CG2-CG 4.5Å; I68-K72 WeakPolarHBondContact O-CG 3.29Å; I68-K72 PolarHBondContact O-N 2.98Å; N69-K72 PolarHBondContact O-N 3.43Å; Q70-K72 VanDerWaalsContact C-N 3.33Å; Q70-K72 PolarHBondContact O-N 3.44Å; K72-C74 PolarHBondContact O-N 3.49Å; K72-D75 PolarHBondContact O-N 2.92Å; K72-F117 HydrophobicContact CD-CB 4.4Å; K72-F117 HydrophobicContact CD-CD1 3.93Å; K72-F117 HydrophobicContact CD-CG 4.48Å; K72-F117 PolarHBondContact NZ-O 3.09Å
73M89.7Confident92.6Very high124 Ų12432.6 Ų32.661%0.61116%0.164SC*.Hα-helixtrans-60-30.3174.6-75.7-178.7175.800112.2N69 Q70 D75 A186N69-M73 WeakPolarHBondContact O-CG 3.33Å; N69-M73 PolarHBondContact O-N 3.26Å; Q70-M73 PolarHBondContact O-N 2.86Å; M73-D75 VanDerWaalsContact C-N 3.26Å; M73-D75 PolarHBondContact O-N 3.46Å; M73-A186 WeakPolarHBondContact O-CB 3.32Å
74C90.9Very high92.5Very high5 Ų531.9 Ų31.93%0.03416%0.16CC..THydrogen-bonded Turntrans-84.55.4176.3-56.30000113.6R27 K28 Q70 V71 K72 I76 A186 I187 I188R27-C74 CarbonylContact C-O 3.54Å; R27-C74 VanDerWaalsContact CA-O 3.32Å; R27-C74 WeakPolarHBondContact CA-O 3.21Å; K28-C74 PolarHBondContact N-O 2.92Å; Q70-C74 PolarHBondContact O-N 3.3Å; Q70-C74 PolarHBondContact O-SG 3.41Å; V71-C74 PolarHBondContact O-N 3.43Å; K72-C74 PolarHBondContact O-N 3.49Å; C74-I76 HydrophobicContact CB-CD1 3.67Å; C74-I76 HydrophobicContact CB-CG1 3.87Å; C74-I76 PolarHBondContact O-N 2.89Å; C74-A186 WeakPolarHBondContact CA-O 3.21Å; C74-I187 VanDerWaalsContact SG-C 3.59Å; C74-I187 PolarHBondContact SG-N 3.48Å; C74-I187 VanDerWaalsContact SG-N 3.39Å; C74-I188 HydrophobicContact CB-CG1 4.44Å
75D90.7Very high91.9Very high105 Ų10531.9 Ų31.956%0.56116%0.16SC*.THydrogen-bonded Turntrans54.535.6-175.3-165.832.1000112.1K28 T29 K72 M73K28-D75 WeakPolarHBondContact CA-O 3.17Å; K28-D75 HydrophobicContact CG-CB 3.95Å; K28-D75 PolarHBondContact N-O 2.68Å; T29-D75 PolarHBondContact N-O 2.93Å; K72-D75 PolarHBondContact O-N 2.92Å; M73-D75 VanDerWaalsContact C-N 3.26Å; M73-D75 PolarHBondContact O-N 3.46Å
76I93.2Very high90.7Very high10 Ų1032.3 Ų32.35%0.05116%0.163CC..  trans-90.1132175.6-63.5167.1000107.9L26 T29 V31 V71 C74 P78 I188L26-I76 HydrophobicContact CB-CD1 3.8Å; T29-I76 HydrophobicContact CG2-CG1 4.4Å; T29-I76 CarbonylContact O-C 3.54Å; T29-I76 VanDerWaalsContact O-CA 3.3Å; T29-I76 WeakPolarHBondContact O-CA 3.21Å; V31-I76 HydrophobicContact CB-CG2 4.3Å; V31-I76 HydrophobicContact CG1-CG2 3.87Å; V31-I76 HydrophobicContact CG2-CG2 3.46Å; V31-I76 VanDerWaalsContact CG2-CG2 3.46Å; V71-I76 HydrophobicContact CG1-CB 3.64Å; V71-I76 HydrophobicContact CG1-CG2 3.67Å; V71-I76 WeakPolarHBondContact O-CB 3.39Å; V71-I76 PolarHBondContact O-N 3.14Å; C74-I76 HydrophobicContact CB-CD1 3.67Å; C74-I76 HydrophobicContact CB-CG1 3.87Å; C74-I76 PolarHBondContact O-N 2.89Å; I76-P78 WeakPolarHBondContact O-CD 3.25Å; I76-I188 HydrophobicContact CD1-CD1 3.8Å; I76-I188 HydrophobicContact CD1-CG1 4.2Å
77Q95Very high89.1Confident94 Ų9429.6 Ų29.644%0.43915%0.147SC..EExtended strand (participates in β ladder)trans-99.297.5173.7-177.8-178.5-5.300109.5T29 V30 V31T29-Q77 PolarHBondContact O-N 3.13Å; V30-Q77 WeakPolarHBondContact CA-O 3.28Å; V30-Q77 HydrophobicContact CG2-CB 4.31Å; V31-Q77 PolarHBondContact N-O 3.25Å
78P96.3Very high86.8Confident8 Ų832.9 Ų32.95%0.05217%0.167CC..EExtended strand (participates in β ladder)trans-79.8139178.133.1-35.9000111.6V31 I33 V71 I76 F80 I119V31-P78 HydrophobicContact CG2-CB 4.08Å; V31-P78 CarbonylContact O-C 3.54Å; V31-P78 WeakPolarHBondContact O-CA 3.39Å; I33-P78 HydrophobicContact CD1-CB 3.72Å; I33-P78 HydrophobicContact CG1-CB 4.38Å; V71-P78 HydrophobicContact CG1-CB 4.38Å; V71-P78 HydrophobicContact CG1-CG 3.99Å; I76-P78 WeakPolarHBondContact O-CD 3.25Å; P78-F80 HydrophobicContact CB-CD2 4.18Å; P78-F80 HydrophobicContact CB-CE2 3.64Å; P78-F80 HydrophobicContact CB-CZ 4.35Å; P78-F80 HydrophobicContact CG-CE2 3.98Å; P78-I119 HydrophobicContact CG-CD1 3.86Å; P78-I119 HydrophobicContact CG-CG1 4.21Å; P78-I119 HydrophobicContact CG-CG2 3.87Å; P78-I119 WeakPolarHBondContact O-CG2 3.43Å
79L97.3Very high84.5Confident1 Ų133.5 Ų33.51%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-116.4115.1169.4-57.2175.3000108.2V30 V31 V32 I33 E120 L135 L139 L309V30-L79 HydrophobicContact CG1-CD1 3.73Å; V30-L79 HydrophobicContact CG1-CG 4.09Å; V31-L79 PolarHBondContact O-N 2.88Å; V32-L79 CarbonylContact C-O 3.59Å; V32-L79 WeakPolarHBondContact CA-O 3.32Å; V32-L79 HydrophobicContact CG2-CD1 4.47Å; I33-L79 PolarHBondContact N-O 3.49Å; L79-E120 HydrophobicContact CD2-CB 3.9Å; L79-L135 HydrophobicContact CB-CD2 4.5Å; L79-L135 HydrophobicContact CD1-CD2 3.98Å; L79-L139 HydrophobicContact CD1-CD1 3.71Å; L79-L309 HydrophobicContact CD1-CD1 3.6Å
80F97.5Very high82.4Confident0 Ų032.9 Ų32.90%017%0.168CC..EExtended strand (participates in β ladder)trans-95.8131.7-176.5-75.8-90.5000112.2I33 F38 I68 P78 F82 F110 L114 I119 E120 Y121 M122I33-F80 HydrophobicContact CB-CD1 3.78Å; I33-F80 HydrophobicContact CB-CE1 3.71Å; I33-F80 HydrophobicContact CB-CG 4.41Å; I33-F80 HydrophobicContact CB-CZ 4.26Å; I33-F80 HydrophobicContact CD1-CE1 4.01Å; I33-F80 HydrophobicContact CD1-CE2 4.23Å; I33-F80 HydrophobicContact CD1-CZ 3.71Å; I33-F80 HydrophobicContact CG1-CE1 4.39Å; I33-F80 HydrophobicContact CG1-CZ 4.47Å; I33-F80 HydrophobicContact CG2-CD1 3.9Å; I33-F80 HydrophobicContact CG2-CE1 3.52Å; I33-F80 HydrophobicContact CG2-CZ 4.29Å; I33-F80 WeakPolarHBondContact O-CA 3.48Å; F38-F80 HydrophobicContact CB-CE1 4Å; F38-F80 AromaticContact CD1-CE1 3.86Å; F38-F80 HydrophobicContact CD1-CE1 3.86Å; F38-F80 HydrophobicContact CD1-CZ 4.25Å; F38-F80 HydrophobicContact CD2-CE1 4.18Å; F38-F80 HydrophobicContact CE1-CE1 4.35Å; F38-F80 HydrophobicContact CE1-CZ 4.29Å; F38-F80 AromaticContact CG-CE1 3.76Å; F38-F80 HydrophobicContact CG-CE1 3.76Å; F38-F80 HydrophobicContact CG-CZ 4.4Å; I68-F80 HydrophobicContact CD1-CE2 3.95Å; I68-F80 HydrophobicContact CD1-CZ 3.84Å; P78-F80 HydrophobicContact CB-CD2 4.18Å; P78-F80 HydrophobicContact CB-CE2 3.64Å; P78-F80 HydrophobicContact CB-CZ 4.35Å; P78-F80 HydrophobicContact CG-CE2 3.98Å; F80-F82 HydrophobicContact CB-CE2 4.33Å; F80-F110 AromaticContact CD1-CE1 3.84Å; F80-F110 HydrophobicContact CD1-CE1 3.84Å; F80-F110 HydrophobicContact CD1-CZ 4.12Å; F80-F110 AromaticContact CE1-CE1 3.75Å; F80-F110 HydrophobicContact CE1-CE1 3.75Å; F80-F110 AromaticContact CE1-CZ 3.58Å; F80-F110 HydrophobicContact CE1-CZ 3.58Å; F80-F110 HydrophobicContact CE2-CZ 4.43Å; F80-F110 HydrophobicContact CG-CE1 4.47Å; F80-F110 HydrophobicContact CZ-CE1 4.33Å; F80-F110 AromaticContact CZ-CZ 3.76Å; F80-F110 HydrophobicContact CZ-CZ 3.76Å; F80-L114 HydrophobicContact CB-CD1 4Å; F80-L114 HydrophobicContact CD2-CD1 3.92Å; F80-L114 HydrophobicContact CD2-CD2 3.65Å; F80-L114 HydrophobicContact CD2-CG 4.45Å; F80-L114 HydrophobicContact CE2-CD2 3.5Å; F80-L114 HydrophobicContact CG-CD1 3.91Å; F80-L114 HydrophobicContact CG-CD2 4.35Å; F80-L114 HydrophobicContact CZ-CD2 4.11Å; F80-I119 HydrophobicContact CD2-CG2 3.61Å; F80-I119 HydrophobicContact CE2-CG2 3.87Å; F80-E120 PolarHBondContact N-O 3.4Å; F80-Y121 CarbonylContact O-C 3.57Å; F80-Y121 WeakPolarHBondContact O-CA 3.43Å; F80-M122 PolarHBondContact O-N 3.43Å
81I95.4Very high80.1Confident0 Ų030.8 Ų30.80%016%0.159CC..EExtended strand (participates in β ladder)trans-122.2122.9173-49-170.9000109.8V32 I33 G35 M122 A128 D131 A132 L135 I303 F307V32-I81 HydrophobicContact CG1-CD1 4.1Å; V32-I81 HydrophobicContact CG1-CG1 4.24Å; I33-I81 PolarHBondContact O-N 3.45Å; G35-I81 PolarHBondContact N-O 3.37Å; I81-M122 CarbonylContact C-O 3.59Å; I81-M122 VanDerWaalsContact CA-O 3.31Å; I81-M122 WeakPolarHBondContact CA-O 3.04Å; I81-M122 HydrophobicContact CD1-CE 4.24Å; I81-M122 HydrophobicContact CG1-CG 4.32Å; I81-M122 HydrophobicContact CG2-CE 4.01Å; I81-M122 HydrophobicContact CG2-CG 4.19Å; I81-A128 HydrophobicContact CB-CB 4.25Å; I81-A128 HydrophobicContact CG2-CB 3.75Å; I81-A128 WeakPolarHBondContact O-CB 3.49Å; I81-D131 HydrophobicContact CD1-CB 4.42Å; I81-D131 HydrophobicContact CG2-CB 4.27Å; I81-A132 HydrophobicContact CB-CB 4.29Å; I81-A132 HydrophobicContact CD1-CB 4Å; I81-A132 HydrophobicContact CG1-CB 4.42Å; I81-L135 HydrophobicContact CD1-CD2 3.96Å; I81-I303 HydrophobicContact CD1-CG2 4.17Å; I81-F307 HydrophobicContact CD1-CE2 4.44Å; I81-F307 HydrophobicContact CG1-CE2 4.44Å
82F94.4Very high77.6Confident0 Ų035 Ų350%018%0.178CC..EExtended strand (participates in β ladder)trans-100.7149.4179.8-63.8-79.5000111.9G35 I39 F80 K107 F110 V111 L114 Y121 M122 T123 S124 A128 V369G35-F82 VanDerWaalsContact CA-CE1 3.47Å; I39-F82 HydrophobicContact CD1-CE1 3.88Å; F80-F82 HydrophobicContact CB-CE2 4.33Å; F82-K107 HydrophobicContact CB-CD 4.27Å; F82-K107 HydrophobicContact CD1-CD 3.85Å; F82-K107 HydrophobicContact CD1-CG 3.83Å; F82-K107 HydrophobicContact CE1-CD 4.45Å; F82-K107 HydrophobicContact CE1-CG 3.91Å; F82-K107 HydrophobicContact CG-CD 4.11Å; F82-K107 HydrophobicContact CG-CG 4.41Å; F82-F110 AromaticContact CE1-CD1 3.82Å; F82-F110 HydrophobicContact CE1-CD1 3.82Å; F82-F110 HydrophobicContact CE1-CE1 4.2Å; F82-F110 AromaticContact CZ-CD1 3.62Å; F82-F110 HydrophobicContact CZ-CD1 3.62Å; F82-F110 AromaticContact CZ-CE1 3.91Å; F82-F110 HydrophobicContact CZ-CE1 3.91Å; F82-V111 HydrophobicContact CE2-CG2 4.02Å; F82-V111 HydrophobicContact CZ-CG2 4.18Å; F82-L114 HydrophobicContact CE2-CD1 4.13Å; F82-L114 HydrophobicContact CZ-CD1 3.95Å; F82-Y121 HydrophobicContact CD2-CD2 4.34Å; F82-Y121 AromaticContact CE2-CD2 3.93Å; F82-Y121 HydrophobicContact CE2-CD2 3.93Å; F82-Y121 HydrophobicContact CE2-CG 4.22Å; F82-M122 PolarHBondContact N-O 3.14Å; F82-T123 HydrophobicContact CB-CG2 4.39Å; F82-T123 CarbonylContact O-C 3.33Å; F82-T123 WeakPolarHBondContact O-CA 3.33Å; F82-S124 PolarHBondContact O-N 2.93Å; F82-A128 VanDerWaalsContact C-CB 3.47Å; F82-V369 HydrophobicContact CD2-CG2 3.92Å; F82-V369 HydrophobicContact CE2-CG2 4.36Å; F82-V369 HydrophobicContact CG-CG2 4.4Å
83D88.7Confident75.5Confident1 Ų130.9 Ų30.91%0.00516%0.162CC..  trans-65.4136.8174.1-76.3-46.1000110.8H34 D36 W100 K107 T123 S127 A128H34-D83 IonicContact CE1-OD2 3.04Å; H34-D83 PolarHBondContact CE1-OD2 2.59Å; H34-D83 IonicContact NE2-OD1 3.12Å; H34-D83 IonicContact NE2-OD2 2.69Å; D36-D83 WeakPolarHBondContact OD2-CB 3.3Å; D36-D83 PolarHBondContact OD2-N 3.26Å; D83-W100 HydrophobicContact CB-CH2 3.84Å; D83-W100 HydrophobicContact CB-CZ2 4.39Å; D83-W100 WeakPolarHBondContact OD2-CH2 3.45Å; D83-K107 PolarHBondContact O-NZ 3.02Å; D83-T123 WeakPolarHBondContact O-CG2 3.25Å; D83-S127 WeakPolarHBondContact OD1-CA 3.35Å; D83-S127 PolarHBondContact OD1-OG 3.38Å; D83-A128 PolarHBondContact OD1-N 3.32Å
84G88.3Confident73.6Confident3 Ų326 Ų263%0.03114%0.138CC..  trans-98.1-13016800000112.9T86 S124 Y126 Y366 P373G84-T86 PolarHBondContact O-N 2.89Å; G84-S124 WeakPolarHBondContact CA-O 3.21Å; G84-Y126 CarbonylContact C-O 3.56Å; G84-Y126 WeakPolarHBondContact CA-O 3.24Å; G84-Y126 PolarHBondContact N-O 3.15Å; G84-Y366 WeakPolarHBondContact CA-OH 3.28Å; G84-P373 VanDerWaalsContact O-CB 3.23Å; G84-P373 WeakPolarHBondContact O-CB 3.21Å
85C81.2Confident71.7Confident1 Ų126.3 Ų26.31%0.00714%0.138CC..  trans-72.8119-174.5-66.10000111.5L125 Y126 F354 Y366 I376 N377C85-L125 VanDerWaalsContact CB-O 3.24Å; C85-L125 WeakPolarHBondContact CB-O 3.36Å; C85-L125 PolarHBondContact N-O 3.35Å; C85-Y126 HydrophobicContact CB-CD1 3.9Å; C85-Y126 HydrophobicContact CB-CE1 4.23Å; C85-Y126 CarbonylContact O-C 3.51Å; C85-Y126 WeakPolarHBondContact O-CA 3.31Å; C85-Y126 WeakPolarHBondContact O-CD1 3.43Å; C85-F354 HydrophobicContact CB-CE1 4.25Å; C85-Y366 PolarHBondContact N-OH 3.36Å; C85-I376 VanDerWaalsContact SG-CB 3.6Å; C85-I376 WeakPolarHBondContact SG-CG2 3.3Å; C85-N377 VanDerWaalsContact CB-OD1 3.32Å; C85-N377 WeakPolarHBondContact CB-OD1 3.31Å
86T68.1Low70.3Confident9 Ų924.1 Ų24.16%0.05513%0.131CC..  trans-107.7124.2178.761.70000110.4G84 N91 N377G84-T86 PolarHBondContact O-N 2.89Å; T86-N91 HydrophobicContact CG2-CB 4.45Å; T86-N91 VanDerWaalsContact CG2-CG 3.41Å; T86-N91 WeakPolarHBondContact CG2-ND2 3.3Å; T86-N91 VanDerWaalsContact CG2-OD1 3.31Å; T86-N91 WeakPolarHBondContact CG2-OD1 3.47Å; T86-N377 PolarHBondContact N-ND2 3.4Å; T86-N377 PolarHBondContact O-ND2 2.83Å
87K55.9Low68.9Low38 Ų3827.9 Ų27.917%0.16515%0.151CC..  trans-67147.8170.2-68.1-174.4-175.2176.90110.5G89 Q90 D287K87-G89 PolarHBondContact O-N 3.3Å; K87-Q90 PolarHBondContact O-N 2.97Å; K87-D287 IonicContact NZ-OD1 3.85Å; K87-D287 PolarHBondContact NZ-OD1 3.21Å; K87-D287 IonicContact NZ-OD2 3.86Å; K87-D287 PolarHBondContact NZ-OD2 3.41Å
88V45.1Very low67.6Low73 Ų7327.4 Ų27.444%0.44215%0.149SC..THydrogen-bonded Turntrans-53.4122.9177.1-1780000109.6I383V88-I383 HydrophobicContact CG2-CB 4.12Å; V88-I383 HydrophobicContact CG2-CG1 4.08Å; V88-I383 HydrophobicContact CG2-CG2 3.33Å
89G46.1Very low66.6Low14 Ų1428.7 Ų28.714%0.14416%0.155CC..THydrogen-bonded Turntrans111.9-24.417800000115.1K87 G217K87-G89 PolarHBondContact O-N 3.3Å; G89-G217 CarbonylContact O-C 3.45Å
90Q45.8Very low65.6Low42 Ų4229.5 Ų29.520%0.19616%0.158CC..THydrogen-bonded Turntrans-75.4-49.3-179.9-72.6-179.5-22.100112K87 S93K87-Q90 PolarHBondContact O-N 2.97Å; Q90-S93 PolarHBondContact O-OG 3.39Å
91N40Very low64.5Low12 Ų1230.7 Ų30.76%0.06417%0.166CC..G310 helixtrans-89.3-17.2-176.5-72.732.6000115T86 S93 Q94 W100T86-N91 HydrophobicContact CG2-CB 4.45Å; T86-N91 VanDerWaalsContact CG2-CG 3.41Å; T86-N91 WeakPolarHBondContact CG2-ND2 3.3Å; T86-N91 VanDerWaalsContact CG2-OD1 3.31Å; T86-N91 WeakPolarHBondContact CG2-OD1 3.47Å; N91-S93 PolarHBondContact O-N 2.94Å; N91-S93 VanDerWaalsContact O-N 3.09Å; N91-Q94 PolarHBondContact O-N 3.4Å; N91-W100 VanDerWaalsContact ND2-CH2 3.27Å; N91-W100 WeakPolarHBondContact ND2-CH2 3.36Å; N91-W100 WeakPolarHBondContact ND2-CZ2 3.31Å
92Q41.2Very low63.8Low96 Ų9631.2 Ų31.245%0.44917%0.169SC..G310 helixtrans-61.9-18.8177-72.3-174.91.100112.3Q7Q7-Q92 PolarHBondContact NE2-O 2.8Å; Q7-Q92 PolarHBondContact OE1-O 3.47Å
93S45Very low63.4Low12 Ų1231.2 Ų31.28%0.08417%0.169CC..G310 helixtrans-81.1-22.2174.7710000114.5Q7 Q90 N91Q7-S93 WeakPolarHBondContact CB-O 2.95Å; Q7-S93 WeakPolarHBondContact CG-O 3.2Å; Q7-S93 PolarHBondContact N-O 2.85Å; Q7-S93 VanDerWaalsContact OE1-CA 3.31Å; Q90-S93 PolarHBondContact O-OG 3.39Å; N91-S93 PolarHBondContact O-N 2.94Å; N91-S93 VanDerWaalsContact O-N 3.09Å
94Q49.8Very low63.2Low22 Ų2233.8 Ų33.810%0.10318%0.183CC..THydrogen-bonded Turntrans-92.5-47.2-167.6-56.2-177.9-11.300112N91 Y148N91-Q94 PolarHBondContact O-N 3.4Å; Q94-Y148 HydrophobicContact CG-CE1 3.8Å; Q94-Y148 PolarHBondContact OE1-OH 3.05Å
95Y51.2Low63Low11 Ų1134.9 Ų34.94%0.04319%0.186CC..SBendtrans-130.6148.1-174.7-58.5-70.6000108.7D37 H40 N97 M99 W100 I103D37-Y95 PolarHBondContact OD1-OH 3.46Å; H40-Y95 HydrophobicContact CB-CE1 3.89Å; H40-Y95 AromaticContact CD2-CE1 3.8Å; H40-Y95 AromaticContact CG-CE1 3.52Å; H40-Y95 AromaticContact ND1-CE1 3.73Å; Y95-N97 PolarHBondContact O-N 2.89Å; Y95-M99 HydrophobicContact CD1-CG 3.74Å; Y95-M99 HydrophobicContact CG-CG 4.35Å; Y95-W100 HydrophobicContact CD2-CD2 4.43Å; Y95-W100 AromaticContact CD2-CE3 3.34Å; Y95-W100 HydrophobicContact CD2-CE3 3.34Å; Y95-W100 AromaticContact CD2-CZ3 3.76Å; Y95-W100 HydrophobicContact CD2-CZ3 3.76Å; Y95-W100 AromaticContact CE2-CE3 3.75Å; Y95-W100 HydrophobicContact CE2-CE3 3.75Å; Y95-W100 AromaticContact CE2-CZ3 3.68Å; Y95-W100 HydrophobicContact CE2-CZ3 3.68Å; Y95-W100 HydrophobicContact CG-CE3 4.17Å; Y95-I103 HydrophobicContact CD1-CD1 3.61Å; Y95-I103 HydrophobicContact CD2-CD1 4.19Å; Y95-I103 HydrophobicContact CE1-CD1 3.43Å; Y95-I103 VanDerWaalsContact CE1-CD1 3.43Å; Y95-I103 HydrophobicContact CE2-CD1 4.04Å; Y95-I103 HydrophobicContact CG-CD1 3.98Å
96S60.8Low63.4Low60 Ų6034.8 Ų34.842%0.4219%0.186SC..  trans-55.6146.616068.30000108.2Q98 M99 W100S96-Q98 CarbonylContact O-C 3.47Å; S96-Q98 PolarHBondContact O-N 3.45Å; S96-M99 PolarHBondContact O-N 2.89Å; S96-M99 WeakPolarHBondContact OG-CB 3.47Å; S96-M99 PolarHBondContact OG-N 3.08Å; S96-W100 PolarHBondContact O-N 2.89Å
97N63.8Low64.6Low89 Ų8934.6 Ų34.648%0.47618%0.184SC..Hα-helixtrans-50.3-31.7175.6-74.8-32.6000111.6Y95 S101Y95-N97 PolarHBondContact O-N 2.89Å; N97-S101 PolarHBondContact O-N 3.36Å
98Q67.7Low66.2Low84 Ų8433.5 Ų33.539%0.39318%0.181SC..Hα-helixtrans-67.2-53.3173.9-67.1175-13.700112.6N52 S96 W100 S101 V102N52-Q98 PolarHBondContact ND2-OE1 3.19Å; N52-Q98 VanDerWaalsContact ND2-OE1 3.09Å; S96-Q98 CarbonylContact O-C 3.47Å; S96-Q98 PolarHBondContact O-N 3.45Å; Q98-W100 VanDerWaalsContact C-N 3.28Å; Q98-W100 PolarHBondContact O-N 3.28Å; Q98-S101 WeakPolarHBondContact O-CA 3.31Å; Q98-S101 WeakPolarHBondContact O-CB 3.41Å; Q98-S101 PolarHBondContact O-N 2.91Å; Q98-S101 PolarHBondContact O-OG 3.11Å; Q98-V102 WeakPolarHBondContact O-CG2 3.25Å; Q98-V102 PolarHBondContact O-N 3.46Å; Q98-V102 VanDerWaalsContact O-N 3.08Å
99M75.5Confident68.4Low34 Ų3430 Ų3017%0.16716%0.16CC..Hα-helixtrans-60.4-38.2179178.761.772.700111.8Y95 S96 S101 V102 I103Y95-M99 HydrophobicContact CD1-CG 3.74Å; Y95-M99 HydrophobicContact CG-CG 4.35Å; S96-M99 PolarHBondContact O-N 2.89Å; S96-M99 WeakPolarHBondContact OG-CB 3.47Å; S96-M99 PolarHBondContact OG-N 3.08Å; M99-S101 VanDerWaalsContact C-N 3.3Å; M99-S101 PolarHBondContact O-N 2.84Å; M99-V102 WeakPolarHBondContact O-CB 3.36Å; M99-V102 PolarHBondContact O-N 3.09Å; M99-V102 VanDerWaalsContact O-N 3.13Å; M99-I103 HydrophobicContact CG-CD1 4.05Å; M99-I103 HydrophobicContact CG-CG1 4.49Å; M99-I103 WeakPolarHBondContact O-CG1 3.12Å; M99-I103 PolarHBondContact O-N 3.38Å; M99-I103 HydrophobicContact SD-CD1 4.47Å; M99-I103 HydrophobicContact SD-CG1 4.37Å
100W75.3Confident70.7Confident19 Ų1929.3 Ų29.37%0.07215%0.153CC..Hα-helixtrans-60.3-39.8173.4-173.6-106.3000112.5D36 D83 N91 Y95 S96 Q98 V102 N104D36-W100 HydrophobicContact CB-CH2 4.48Å; D36-W100 HydrophobicContact CB-CZ3 4.22Å; D83-W100 HydrophobicContact CB-CH2 3.84Å; D83-W100 HydrophobicContact CB-CZ2 4.39Å; D83-W100 WeakPolarHBondContact OD2-CH2 3.45Å; N91-W100 VanDerWaalsContact ND2-CH2 3.27Å; N91-W100 WeakPolarHBondContact ND2-CH2 3.36Å; N91-W100 WeakPolarHBondContact ND2-CZ2 3.31Å; Y95-W100 HydrophobicContact CD2-CD2 4.43Å; Y95-W100 AromaticContact CD2-CE3 3.34Å; Y95-W100 HydrophobicContact CD2-CE3 3.34Å; Y95-W100 AromaticContact CD2-CZ3 3.76Å; Y95-W100 HydrophobicContact CD2-CZ3 3.76Å; Y95-W100 AromaticContact CE2-CE3 3.75Å; Y95-W100 HydrophobicContact CE2-CE3 3.75Å; Y95-W100 AromaticContact CE2-CZ3 3.68Å; Y95-W100 HydrophobicContact CE2-CZ3 3.68Å; Y95-W100 HydrophobicContact CG-CE3 4.17Å; S96-W100 PolarHBondContact O-N 2.89Å; Q98-W100 VanDerWaalsContact C-N 3.28Å; Q98-W100 PolarHBondContact O-N 3.28Å; W100-V102 VanDerWaalsContact C-N 3.3Å; W100-V102 PolarHBondContact O-N 3.48Å; W100-N104 PolarHBondContact NE1-ND2 3.25Å; W100-N104 PolarHBondContact O-N 2.66Å; W100-N104 VanDerWaalsContact O-N 3.13Å; W100-N104 PolarHBondContact O-ND2 3.09Å
101S75.6Confident73Confident25 Ų2527.4 Ų27.418%0.17514%0.144CC..Hα-helixtrans-63.9-38.1175.779.80000111.8N97 Q98 M99 R105N97-S101 PolarHBondContact O-N 3.36Å; Q98-S101 WeakPolarHBondContact O-CA 3.31Å; Q98-S101 WeakPolarHBondContact O-CB 3.41Å; Q98-S101 PolarHBondContact O-N 2.91Å; Q98-S101 PolarHBondContact O-OG 3.11Å; M99-S101 VanDerWaalsContact C-N 3.3Å; M99-S101 PolarHBondContact O-N 2.84Å; S101-R105 WeakPolarHBondContact O-CG 3.24Å; S101-R105 PolarHBondContact O-N 3.16Å
102V80.9Confident75.5Confident11 Ų1128.1 Ų28.17%0.06715%0.148CC..Hα-helixtrans-65.3-51177.3177.70000110.4L43 Q98 M99 W100 N104 R105 Y106L43-V102 HydrophobicContact CD1-CG1 4.09Å; Q98-V102 WeakPolarHBondContact O-CG2 3.25Å; Q98-V102 PolarHBondContact O-N 3.46Å; Q98-V102 VanDerWaalsContact O-N 3.08Å; M99-V102 WeakPolarHBondContact O-CB 3.36Å; M99-V102 PolarHBondContact O-N 3.09Å; M99-V102 VanDerWaalsContact O-N 3.13Å; W100-V102 VanDerWaalsContact C-N 3.3Å; W100-V102 PolarHBondContact O-N 3.48Å; V102-N104 VanDerWaalsContact C-N 3.28Å; V102-N104 PolarHBondContact O-N 3.43Å; V102-R105 WeakPolarHBondContact O-CB 3.49Å; V102-R105 PolarHBondContact O-N 3.08Å; V102-Y106 HydrophobicContact CG1-CD2 3.73Å; V102-Y106 HydrophobicContact CG1-CE2 3.64Å; V102-Y106 WeakPolarHBondContact O-CD2 3.4Å; V102-Y106 PolarHBondContact O-N 3.22Å; V102-Y106 VanDerWaalsContact O-N 3.12Å
103I85.6Confident78Confident0 Ų023.7 Ų23.70%013%0.127CC..Hα-helixtrans-54.6-45.7178.5-68.1165.5000110.8D36 I39 H40 Y95 M99 R105 Y106 K107D36-I103 HydrophobicContact CB-CG2 4.01Å; D36-I103 WeakPolarHBondContact OD1-CG2 3.26Å; I39-I103 HydrophobicContact CB-CG2 4.24Å; I39-I103 HydrophobicContact CD1-CG2 4.36Å; I39-I103 HydrophobicContact CG2-CB 4.44Å; I39-I103 HydrophobicContact CG2-CG1 4.43Å; I39-I103 HydrophobicContact CG2-CG2 4.07Å; H40-I103 HydrophobicContact CB-CD1 3.86Å; H40-I103 HydrophobicContact CB-CG1 4.37Å; Y95-I103 HydrophobicContact CD1-CD1 3.61Å; Y95-I103 HydrophobicContact CD2-CD1 4.19Å; Y95-I103 HydrophobicContact CE1-CD1 3.43Å; Y95-I103 VanDerWaalsContact CE1-CD1 3.43Å; Y95-I103 HydrophobicContact CE2-CD1 4.04Å; Y95-I103 HydrophobicContact CG-CD1 3.98Å; M99-I103 HydrophobicContact CG-CD1 4.05Å; M99-I103 HydrophobicContact CG-CG1 4.49Å; M99-I103 WeakPolarHBondContact O-CG1 3.12Å; M99-I103 PolarHBondContact O-N 3.38Å; M99-I103 HydrophobicContact SD-CD1 4.47Å; M99-I103 HydrophobicContact SD-CG1 4.37Å; I103-R105 VanDerWaalsContact C-N 3.3Å; I103-R105 PolarHBondContact O-N 3.2Å; I103-Y106 PolarHBondContact O-N 3.35Å; I103-Y106 VanDerWaalsContact O-N 3.17Å; I103-K107 PolarHBondContact O-N 3.2Å
104N84.1Confident80.5Confident54 Ų5423.1 Ų23.129%0.28912%0.123SC..Hα-helixtrans-63.5-33.1178.4-75.6-59.9000113.4W100 V102 K107W100-N104 PolarHBondContact NE1-ND2 3.25Å; W100-N104 PolarHBondContact O-N 2.66Å; W100-N104 VanDerWaalsContact O-N 3.13Å; W100-N104 PolarHBondContact O-ND2 3.09Å; V102-N104 VanDerWaalsContact C-N 3.28Å; V102-N104 PolarHBondContact O-N 3.43Å; N104-K107 WeakPolarHBondContact O-CB 3.25Å; N104-K107 PolarHBondContact O-N 3.34Å
105R84.8Confident82.6Confident26 Ų2624.8 Ų24.810%0.09814%0.137CC..Hα-helixtrans-65.9-42173.7-71.4-165.8-62-108.18.6111.8N55 F57 S101 V102 I103 K107N55-R105 PolarHBondContact OD1-NH2 3.5Å; F57-R105 HydrophobicContact CE1-CB 4.44Å; F57-R105 HydrophobicContact CZ-CB 4.41Å; S101-R105 WeakPolarHBondContact O-CG 3.24Å; S101-R105 PolarHBondContact O-N 3.16Å; V102-R105 WeakPolarHBondContact O-CB 3.49Å; V102-R105 PolarHBondContact O-N 3.08Å; I103-R105 VanDerWaalsContact C-N 3.3Å; I103-R105 PolarHBondContact O-N 3.2Å; R105-K107 VanDerWaalsContact C-N 3.32Å
106Y90.3Very high84.5Confident0 Ų029.3 Ų29.30%016%0.158CC..Hα-helixtrans-76.2-18179.2-76.9-77.4000113.8L43 F49 H54 N55 E56 F57 F60 V102 I103 S108 S109 F110L43-Y106 HydrophobicContact CD1-CD2 3.82Å; L43-Y106 HydrophobicContact CD1-CE2 4.25Å; L43-Y106 HydrophobicContact CD1-CG 4.38Å; L43-Y106 HydrophobicContact CD2-CD1 4.33Å; L43-Y106 HydrophobicContact CD2-CD2 3.79Å; L43-Y106 HydrophobicContact CD2-CE1 4.16Å; L43-Y106 HydrophobicContact CD2-CE2 3.61Å; L43-Y106 HydrophobicContact CD2-CG 4.14Å; L43-Y106 HydrophobicContact CG-CD2 4.45Å; F49-Y106 WeakPolarHBondContact CE2-OH 3.45Å; H54-Y106 PolarHBondContact O-OH 2.96Å; N55-Y106 VanDerWaalsContact CA-OH 3.27Å; N55-Y106 WeakPolarHBondContact CA-OH 3.38Å; E56-Y106 PolarHBondContact N-OH 3.07Å; F57-Y106 AromaticContact CD1-CD1 3.75Å; F57-Y106 HydrophobicContact CD1-CD1 3.75Å; F57-Y106 AromaticContact CD1-CE1 3.71Å; F57-Y106 HydrophobicContact CD1-CE1 3.71Å; F57-Y106 AromaticContact CE1-CD1 3.93Å; F57-Y106 HydrophobicContact CE1-CD1 3.93Å; F57-Y106 AromaticContact CE1-CE1 3.99Å; F57-Y106 HydrophobicContact CE1-CE1 3.99Å; F57-Y106 HydrophobicContact CE1-CG 4.34Å; F57-Y106 HydrophobicContact CG-CE1 4.14Å; F60-Y106 HydrophobicContact CB-CD1 3.72Å; F60-Y106 HydrophobicContact CB-CE1 3.47Å; F60-Y106 VanDerWaalsContact CB-CE1 3.47Å; F60-Y106 AromaticContact CD1-CD1 3.54Å; F60-Y106 HydrophobicContact CD1-CD1 3.54Å; F60-Y106 HydrophobicContact CD1-CE1 4.22Å; F60-Y106 HydrophobicContact CD1-CG 4.39Å; F60-Y106 AromaticContact CD2-CD1 3.85Å; F60-Y106 HydrophobicContact CD2-CD1 3.85Å; F60-Y106 HydrophobicContact CD2-CE1 4.21Å; F60-Y106 HydrophobicContact CD2-CG 4.34Å; F60-Y106 HydrophobicContact CE1-CD1 4.12Å; F60-Y106 HydrophobicContact CE2-CD1 4.38Å; F60-Y106 AromaticContact CG-CD1 3.38Å; F60-Y106 HydrophobicContact CG-CD1 3.38Å; F60-Y106 AromaticContact CG-CE1 3.7Å; F60-Y106 HydrophobicContact CG-CE1 3.7Å; F60-Y106 HydrophobicContact CG-CG 4.27Å; V102-Y106 HydrophobicContact CG1-CD2 3.73Å; V102-Y106 HydrophobicContact CG1-CE2 3.64Å; V102-Y106 WeakPolarHBondContact O-CD2 3.4Å; V102-Y106 PolarHBondContact O-N 3.22Å; V102-Y106 VanDerWaalsContact O-N 3.12Å; I103-Y106 PolarHBondContact O-N 3.35Å; I103-Y106 VanDerWaalsContact O-N 3.17Å; Y106-S108 VanDerWaalsContact C-N 3.31Å; Y106-S108 PolarHBondContact O-N 2.93Å; Y106-S109 PolarHBondContact O-N 3.3Å; Y106-S109 VanDerWaalsContact O-N 3.16Å; Y106-F110 PolarHBondContact O-N 2.98Å
107K91.6Very high86Confident5 Ų527.3 Ų27.32%0.02214%0.141CC..Hα-helixtrans-56-42.9-179.6-161.4-176.5-78.3-169.10112.7D36 I39 F82 D83 I103 N104 R105 F110 V111 V369D36-K107 VanDerWaalsContact CG-NZ 3.33Å; D36-K107 WeakPolarHBondContact OD1-CE 3.45Å; D36-K107 IonicContact OD1-NZ 3.28Å; D36-K107 PolarHBondContact OD1-NZ 2.97Å; D36-K107 IonicContact OD2-NZ 3.48Å; D36-K107 PolarHBondContact OD2-NZ 3.13Å; I39-K107 HydrophobicContact CD1-CB 4.02Å; I39-K107 HydrophobicContact CD1-CG 4.04Å; F82-K107 HydrophobicContact CB-CD 4.27Å; F82-K107 HydrophobicContact CD1-CD 3.85Å; F82-K107 HydrophobicContact CD1-CG 3.83Å; F82-K107 HydrophobicContact CE1-CD 4.45Å; F82-K107 HydrophobicContact CE1-CG 3.91Å; F82-K107 HydrophobicContact CG-CD 4.11Å; F82-K107 HydrophobicContact CG-CG 4.41Å; D83-K107 PolarHBondContact O-NZ 3.02Å; I103-K107 PolarHBondContact O-N 3.2Å; N104-K107 WeakPolarHBondContact O-CB 3.25Å; N104-K107 PolarHBondContact O-N 3.34Å; R105-K107 VanDerWaalsContact C-N 3.32Å; K107-F110 PolarHBondContact O-N 3.46Å; K107-V111 WeakPolarHBondContact O-CB 3.41Å; K107-V111 WeakPolarHBondContact O-CG2 3.39Å; K107-V111 PolarHBondContact O-N 2.96Å; K107-V369 HydrophobicContact CB-CG1 4.41Å; K107-V369 HydrophobicContact CD-CB 4.49Å; K107-V369 HydrophobicContact CD-CG1 3.31Å; K107-V369 HydrophobicContact CD-CG2 4.28Å; K107-V369 HydrophobicContact CG-CG1 3.69Å
108S89.6Confident87.4Confident14 Ų1431.4 Ų31.410%0.09816%0.158CC..Hα-helixtrans-61.3-48.4177-172.80000111.7Y106 F110 V111 D112Y106-S108 VanDerWaalsContact C-N 3.31Å; Y106-S108 PolarHBondContact O-N 2.93Å; S108-F110 VanDerWaalsContact C-N 3.32Å; S108-F110 PolarHBondContact O-N 3.46Å; S108-V111 WeakPolarHBondContact O-CB 3.11Å; S108-V111 PolarHBondContact O-N 3.43Å; S108-D112 VanDerWaalsContact O-CG 3.3Å; S108-D112 PolarHBondContact O-N 3.03Å
109S91Very high88.7Confident0 Ų028 Ų280%014%0.142CC..Hα-helixtrans-63.9-36.8177.4-57.70000112.8F57 Y106 D112 V113F57-S109 WeakPolarHBondContact CD1-OG 3.48Å; Y106-S109 PolarHBondContact O-N 3.3Å; Y106-S109 VanDerWaalsContact O-N 3.16Å; S109-D112 PolarHBondContact O-N 2.92Å; S109-V113 PolarHBondContact O-N 3.45Å; S109-V113 VanDerWaalsContact O-N 3.16Å
110F95.2Very high89.7Confident0 Ų030.4 Ų30.40%015%0.153CC..Hα-helixtrans-66.8-41.4175.8-172-130.1000111.8F38 I39 I42 F60 A64 F80 F82 Y106 K107 S108 D112 V113 L114F38-F110 AromaticContact CD1-CE1 3.99Å; F38-F110 HydrophobicContact CD1-CE1 3.99Å; F38-F110 AromaticContact CD1-CE2 3.85Å; F38-F110 HydrophobicContact CD1-CE2 3.85Å; F38-F110 AromaticContact CD1-CZ 3.33Å; F38-F110 HydrophobicContact CD1-CZ 3.33Å; F38-F110 AromaticContact CE1-CE2 3.87Å; F38-F110 HydrophobicContact CE1-CE2 3.87Å; F38-F110 AromaticContact CE1-CZ 3.67Å; F38-F110 HydrophobicContact CE1-CZ 3.67Å; F38-F110 HydrophobicContact CG-CZ 4.34Å; I39-F110 HydrophobicContact CD1-CB 4.08Å; I39-F110 HydrophobicContact CD1-CD1 3.91Å; I39-F110 HydrophobicContact CD1-CG 4.32Å; I39-F110 HydrophobicContact CG1-CB 4.02Å; I39-F110 HydrophobicContact CG1-CD1 3.64Å; I39-F110 HydrophobicContact CG1-CE1 4.34Å; I39-F110 HydrophobicContact CG1-CG 3.92Å; I42-F110 HydrophobicContact CD1-CE2 4.5Å; F60-F110 HydrophobicContact CE1-CB 3.82Å; F60-F110 HydrophobicContact CE1-CD2 4.38Å; F60-F110 HydrophobicContact CE1-CG 4.46Å; F60-F110 HydrophobicContact CZ-CB 4.02Å; F60-F110 HydrophobicContact CZ-CD2 4.3Å; F60-F110 HydrophobicContact CZ-CG 4.34Å; A64-F110 HydrophobicContact CB-CD2 3.92Å; A64-F110 HydrophobicContact CB-CE2 4.07Å; F80-F110 AromaticContact CD1-CE1 3.84Å; F80-F110 HydrophobicContact CD1-CE1 3.84Å; F80-F110 HydrophobicContact CD1-CZ 4.12Å; F80-F110 AromaticContact CE1-CE1 3.75Å; F80-F110 HydrophobicContact CE1-CE1 3.75Å; F80-F110 AromaticContact CE1-CZ 3.58Å; F80-F110 HydrophobicContact CE1-CZ 3.58Å; F80-F110 HydrophobicContact CE2-CZ 4.43Å; F80-F110 HydrophobicContact CG-CE1 4.47Å; F80-F110 HydrophobicContact CZ-CE1 4.33Å; F80-F110 AromaticContact CZ-CZ 3.76Å; F80-F110 HydrophobicContact CZ-CZ 3.76Å; F82-F110 AromaticContact CE1-CD1 3.82Å; F82-F110 HydrophobicContact CE1-CD1 3.82Å; F82-F110 HydrophobicContact CE1-CE1 4.2Å; F82-F110 AromaticContact CZ-CD1 3.62Å; F82-F110 HydrophobicContact CZ-CD1 3.62Å; F82-F110 AromaticContact CZ-CE1 3.91Å; F82-F110 HydrophobicContact CZ-CE1 3.91Å; Y106-F110 PolarHBondContact O-N 2.98Å; K107-F110 PolarHBondContact O-N 3.46Å; S108-F110 VanDerWaalsContact C-N 3.32Å; S108-F110 PolarHBondContact O-N 3.46Å; F110-D112 VanDerWaalsContact C-N 3.28Å; F110-D112 PolarHBondContact O-N 3.21Å; F110-V113 WeakPolarHBondContact O-CA 3.47Å; F110-V113 WeakPolarHBondContact O-CB 3.29Å; F110-V113 PolarHBondContact O-N 3.12Å; F110-V113 VanDerWaalsContact O-N 3.09Å; F110-L114 HydrophobicContact CD1-CD1 4.12Å; F110-L114 HydrophobicContact CD1-CG 4.42Å; F110-L114 HydrophobicContact CE1-CD1 3.81Å; F110-L114 HydrophobicContact CE1-CD2 4.2Å; F110-L114 HydrophobicContact CE1-CG 4.14Å; F110-L114 HydrophobicContact CE2-CD2 4.01Å; F110-L114 HydrophobicContact CE2-CG 4.3Å; F110-L114 HydrophobicContact CZ-CD1 4.19Å; F110-L114 HydrophobicContact CZ-CD2 3.69Å; F110-L114 HydrophobicContact CZ-CG 4.06Å; F110-L114 WeakPolarHBondContact O-CG 3.43Å; F110-L114 PolarHBondContact O-N 3.35Å
111V95Very high90.7Very high2 Ų230.3 Ų30.31%0.01215%0.153CC..Hα-helixtrans-60-38174.2161.60000112.1F82 K107 S108 V113 L114 S115 Y121 V369F82-V111 HydrophobicContact CE2-CG2 4.02Å; F82-V111 HydrophobicContact CZ-CG2 4.18Å; K107-V111 WeakPolarHBondContact O-CB 3.41Å; K107-V111 WeakPolarHBondContact O-CG2 3.39Å; K107-V111 PolarHBondContact O-N 2.96Å; S108-V111 WeakPolarHBondContact O-CB 3.11Å; S108-V111 PolarHBondContact O-N 3.43Å; V111-V113 VanDerWaalsContact C-N 3.32Å; V111-V113 PolarHBondContact O-N 3.49Å; V111-L114 PolarHBondContact O-N 2.96Å; V111-S115 WeakPolarHBondContact O-CB 3.28Å; V111-S115 PolarHBondContact O-N 3.22Å; V111-S115 PolarHBondContact O-OG 3.04Å; V111-Y121 HydrophobicContact CB-CE2 4.36Å; V111-Y121 HydrophobicContact CG1-CE1 4.15Å; V111-Y121 HydrophobicContact CG1-CE2 3.67Å; V111-Y121 VanDerWaalsContact CG1-CZ 3.41Å; V111-Y121 WeakPolarHBondContact CG1-OH 3.31Å; V111-Y121 HydrophobicContact CG2-CD2 4.12Å; V111-Y121 HydrophobicContact CG2-CE2 3.82Å; V111-V369 HydrophobicContact CG2-CB 4.04Å; V111-V369 HydrophobicContact CG2-CG1 4.46Å; V111-V369 HydrophobicContact CG2-CG2 3.77Å
112D92.3Very high91.7Very high27 Ų2729.1 Ų29.114%0.14414%0.144CC..Hα-helixtrans-63-40.5174.2-60.6-38000111.3S108 S109 F110 S115 F116 P604S108-D112 VanDerWaalsContact O-CG 3.3Å; S108-D112 PolarHBondContact O-N 3.03Å; S109-D112 PolarHBondContact O-N 2.92Å; F110-D112 VanDerWaalsContact C-N 3.28Å; F110-D112 PolarHBondContact O-N 3.21Å; D112-S115 PolarHBondContact O-N 3.01Å; D112-F116 WeakPolarHBondContact O-CB 3.47Å; D112-F116 PolarHBondContact O-N 3.41Å; D112-P604 HydrophobicContact CB-CB 4.38Å; D112-P604 HydrophobicContact CB-CG 4.41Å; D112-P604 VanDerWaalsContact OD2-CB 3.25Å; D112-P604 WeakPolarHBondContact OD2-CB 3.38Å
113V93.5Very high92.4Very high2 Ų228.8 Ų28.81%0.01214%0.142CC..Hα-helixtrans-61.6-49.1173170.10000110.9A64 S65 I68 S109 F110 V111 S115 F116 F117A64-V113 HydrophobicContact CB-CG1 4.29Å; S65-V113 VanDerWaalsContact OG-CG1 3.25Å; S65-V113 WeakPolarHBondContact OG-CG1 3.33Å; I68-V113 HydrophobicContact CG1-CG1 4.46Å; S109-V113 PolarHBondContact O-N 3.45Å; S109-V113 VanDerWaalsContact O-N 3.16Å; F110-V113 WeakPolarHBondContact O-CA 3.47Å; F110-V113 WeakPolarHBondContact O-CB 3.29Å; F110-V113 PolarHBondContact O-N 3.12Å; F110-V113 VanDerWaalsContact O-N 3.09Å; V111-V113 VanDerWaalsContact C-N 3.32Å; V111-V113 PolarHBondContact O-N 3.49Å; V113-S115 VanDerWaalsContact C-N 3.31Å; V113-S115 PolarHBondContact O-N 3.43Å; V113-F116 WeakPolarHBondContact O-CB 3.22Å; V113-F116 PolarHBondContact O-N 3.34Å; V113-F117 HydrophobicContact CG1-CD2 3.87Å; V113-F117 HydrophobicContact CG1-CE2 3.97Å; V113-F117 VanDerWaalsContact O-CD2 3.23Å; V113-F117 WeakPolarHBondContact O-CD2 3.3Å; V113-F117 PolarHBondContact O-N 3.25Å; V113-F117 VanDerWaalsContact O-N 3.09Å
114L96.2Very high92.7Very high0 Ų028.8 Ų28.80%014%0.142CC..Hα-helixtrans-59-44.1178.3-64.6-178.3000111.4I68 F80 F82 F110 V111 F116 F117 Q118 I119 Y121I68-L114 HydrophobicContact CD1-CD2 4.14Å; F80-L114 HydrophobicContact CB-CD1 4Å; F80-L114 HydrophobicContact CD2-CD1 3.92Å; F80-L114 HydrophobicContact CD2-CD2 3.65Å; F80-L114 HydrophobicContact CD2-CG 4.45Å; F80-L114 HydrophobicContact CE2-CD2 3.5Å; F80-L114 HydrophobicContact CG-CD1 3.91Å; F80-L114 HydrophobicContact CG-CD2 4.35Å; F80-L114 HydrophobicContact CZ-CD2 4.11Å; F82-L114 HydrophobicContact CE2-CD1 4.13Å; F82-L114 HydrophobicContact CZ-CD1 3.95Å; F110-L114 HydrophobicContact CD1-CD1 4.12Å; F110-L114 HydrophobicContact CD1-CG 4.42Å; F110-L114 HydrophobicContact CE1-CD1 3.81Å; F110-L114 HydrophobicContact CE1-CD2 4.2Å; F110-L114 HydrophobicContact CE1-CG 4.14Å; F110-L114 HydrophobicContact CE2-CD2 4.01Å; F110-L114 HydrophobicContact CE2-CG 4.3Å; F110-L114 HydrophobicContact CZ-CD1 4.19Å; F110-L114 HydrophobicContact CZ-CD2 3.69Å; F110-L114 HydrophobicContact CZ-CG 4.06Å; F110-L114 WeakPolarHBondContact O-CG 3.43Å; F110-L114 PolarHBondContact O-N 3.35Å; V111-L114 PolarHBondContact O-N 2.96Å; L114-F116 PolarHBondContact O-N 3.25Å; L114-F117 CarbonylContact O-C 3.54Å; L114-F117 PolarHBondContact O-N 2.86Å; L114-Q118 PolarHBondContact O-N 3.43Å; L114-I119 HydrophobicContact CB-CB 4.24Å; L114-I119 HydrophobicContact CD2-CB 4.06Å; L114-I119 HydrophobicContact CD2-CD1 4.13Å; L114-I119 HydrophobicContact CD2-CG2 3.86Å; L114-I119 PolarHBondContact O-N 3.01Å; L114-Y121 HydrophobicContact CB-CD1 4Å; L114-Y121 HydrophobicContact CB-CE1 4.44Å; L114-Y121 HydrophobicContact CD1-CD1 4.14Å; L114-Y121 HydrophobicContact CD1-CG 4.07Å
115S93.6Very high92.8Very high57 Ų5727.3 Ų27.340%0.39913%0.134SC..Hα-helixtrans-62.8-42.7178.6-58.50000111.8V111 D112 V113 F117 Q118V111-S115 WeakPolarHBondContact O-CB 3.28Å; V111-S115 PolarHBondContact O-N 3.22Å; V111-S115 PolarHBondContact O-OG 3.04Å; D112-S115 PolarHBondContact O-N 3.01Å; V113-S115 VanDerWaalsContact C-N 3.31Å; V113-S115 PolarHBondContact O-N 3.43Å; S115-F117 VanDerWaalsContact C-N 3.29Å; S115-F117 PolarHBondContact O-N 3.35Å; S115-Q118 PolarHBondContact O-N 3.48Å
116F91.1Very high92.8Very high106 Ų10627.4 Ų27.447%0.46514%0.135SC..Hα-helixtrans-58.8-41.7175.1176.5-93.1000112D112 V113 L114 Q118 F521D112-F116 WeakPolarHBondContact O-CB 3.47Å; D112-F116 PolarHBondContact O-N 3.41Å; V113-F116 WeakPolarHBondContact O-CB 3.22Å; V113-F116 PolarHBondContact O-N 3.34Å; L114-F116 PolarHBondContact O-N 3.25Å; F116-Q118 VanDerWaalsContact C-N 3.25Å; F116-Q118 PolarHBondContact O-N 2.98Å; F116-F521 HydrophobicContact CB-CZ 4.05Å; F116-F521 HydrophobicContact CD1-CD1 4.45Å; F116-F521 AromaticContact CD1-CE1 3.42Å; F116-F521 HydrophobicContact CD1-CE1 3.42Å; F116-F521 VanDerWaalsContact CD1-CE1 3.42Å; F116-F521 AromaticContact CD1-CZ 3.64Å; F116-F521 HydrophobicContact CD1-CZ 3.64Å; F116-F521 HydrophobicContact CD2-CD1 4.28Å; F116-F521 HydrophobicContact CD2-CD2 4.41Å; F116-F521 AromaticContact CD2-CE1 3.54Å; F116-F521 HydrophobicContact CD2-CE1 3.54Å; F116-F521 AromaticContact CD2-CE2 3.64Å; F116-F521 HydrophobicContact CD2-CE2 3.64Å; F116-F521 AromaticContact CD2-CZ 3.16Å; F116-F521 HydrophobicContact CD2-CZ 3.16Å; F116-F521 AromaticContact CE1-CD1 3.82Å; F116-F521 HydrophobicContact CE1-CD1 3.82Å; F116-F521 AromaticContact CE1-CE1 3.18Å; F116-F521 HydrophobicContact CE1-CE1 3.18Å; F116-F521 AromaticContact CE1-CZ 3.85Å; F116-F521 HydrophobicContact CE1-CZ 3.85Å; F116-F521 AromaticContact CE2-CD1 3.6Å; F116-F521 HydrophobicContact CE2-CD1 3.6Å; F116-F521 HydrophobicContact CE2-CD2 4.1Å; F116-F521 AromaticContact CE2-CE1 3.28Å; F116-F521 HydrophobicContact CE2-CE1 3.28Å; F116-F521 AromaticContact CE2-CE2 3.77Å; F116-F521 HydrophobicContact CE2-CE2 3.77Å; F116-F521 HydrophobicContact CE2-CG 4.03Å; F116-F521 AromaticContact CE2-CZ 3.38Å; F116-F521 HydrophobicContact CE2-CZ 3.38Å; F116-F521 AromaticContact CG-CE1 3.6Å; F116-F521 HydrophobicContact CG-CE1 3.6Å; F116-F521 HydrophobicContact CG-CE2 4.2Å; F116-F521 AromaticContact CG-CZ 3.3Å; F116-F521 HydrophobicContact CG-CZ 3.3Å; F116-F521 AromaticContact CZ-CD1 3.34Å; F116-F521 HydrophobicContact CZ-CD1 3.34Å; F116-F521 AromaticContact CZ-CE1 3.1Å; F116-F521 HydrophobicContact CZ-CE1 3.1Å; F116-F521 HydrophobicContact CZ-CE2 4.43Å; F116-F521 HydrophobicContact CZ-CG 4.17Å; F116-F521 AromaticContact CZ-CZ 3.73Å; F116-F521 HydrophobicContact CZ-CZ 3.73Å
117F92.8Very high92.3Very high19 Ų1928.2 Ų28.28%0.08314%0.14CC..THydrogen-bonded Turntrans-82.21.6177.3-73.5-70000114.6I68 N69 K72 V113 L114 S115 I119I68-F117 HydrophobicContact CB-CD2 4.23Å; I68-F117 HydrophobicContact CB-CE2 4.45Å; I68-F117 HydrophobicContact CG2-CB 3.9Å; I68-F117 HydrophobicContact CG2-CD1 4.14Å; I68-F117 HydrophobicContact CG2-CD2 3.56Å; I68-F117 HydrophobicContact CG2-CE2 4.13Å; I68-F117 HydrophobicContact CG2-CG 3.58Å; N69-F117 WeakPolarHBondContact OD1-CE1 2.98Å; N69-F117 WeakPolarHBondContact OD1-CZ 3.28Å; K72-F117 HydrophobicContact CD-CB 4.4Å; K72-F117 HydrophobicContact CD-CD1 3.93Å; K72-F117 HydrophobicContact CD-CG 4.48Å; K72-F117 PolarHBondContact NZ-O 3.09Å; V113-F117 HydrophobicContact CG1-CD2 3.87Å; V113-F117 HydrophobicContact CG1-CE2 3.97Å; V113-F117 VanDerWaalsContact O-CD2 3.23Å; V113-F117 WeakPolarHBondContact O-CD2 3.3Å; V113-F117 PolarHBondContact O-N 3.25Å; V113-F117 VanDerWaalsContact O-N 3.09Å; L114-F117 CarbonylContact O-C 3.54Å; L114-F117 PolarHBondContact O-N 2.86Å; S115-F117 VanDerWaalsContact C-N 3.29Å; S115-F117 PolarHBondContact O-N 3.35Å; F117-I119 VanDerWaalsContact C-N 3.26Å; F117-I119 HydrophobicContact CB-CD1 3.83Å; F117-I119 HydrophobicContact CB-CG1 3.96Å; F117-I119 PolarHBondContact O-N 3.41Å
118Q94.1Very high92.1Very high175 Ų17528 Ų2882%0.81814%0.139SC*.THydrogen-bonded Turntrans55.141.7-175-58174-6.600112.2L114 S115 F116L114-Q118 PolarHBondContact O-N 3.43Å; S115-Q118 PolarHBondContact O-N 3.48Å; F116-Q118 VanDerWaalsContact C-N 3.25Å; F116-Q118 PolarHBondContact O-N 2.98Å
119I95.6Very high91.6Very high13 Ų1327.8 Ų27.87%0.06714%0.137CC..  trans-91.8133.4177.3-68.8173.7000109.2I68 P78 F80 L114 F117 Y121I68-I119 HydrophobicContact CB-CD1 4.41Å; I68-I119 HydrophobicContact CD1-CD1 3.88Å; I68-I119 HydrophobicContact CG1-CD1 4.31Å; I68-I119 HydrophobicContact CG2-CD1 3.3Å; P78-I119 HydrophobicContact CG-CD1 3.86Å; P78-I119 HydrophobicContact CG-CG1 4.21Å; P78-I119 HydrophobicContact CG-CG2 3.87Å; P78-I119 WeakPolarHBondContact O-CG2 3.43Å; F80-I119 HydrophobicContact CD2-CG2 3.61Å; F80-I119 HydrophobicContact CE2-CG2 3.87Å; L114-I119 HydrophobicContact CB-CB 4.24Å; L114-I119 HydrophobicContact CD2-CB 4.06Å; L114-I119 HydrophobicContact CD2-CD1 4.13Å; L114-I119 HydrophobicContact CD2-CG2 3.86Å; L114-I119 PolarHBondContact O-N 3.01Å; F117-I119 VanDerWaalsContact C-N 3.26Å; F117-I119 HydrophobicContact CB-CD1 3.83Å; F117-I119 HydrophobicContact CB-CG1 3.96Å; F117-I119 PolarHBondContact O-N 3.41Å; I119-Y121 WeakPolarHBondContact O-CD1 2.98Å
120E95.5Very high91.1Very high84 Ų8428.3 Ų28.339%0.39314%0.139SC..  trans-74.1136.2178.4-69.2-57.6154.900112L79 F80 F307 K368L79-E120 HydrophobicContact CD2-CB 3.9Å; F80-E120 PolarHBondContact N-O 3.4Å; E120-F307 HydrophobicContact CB-CD1 3.7Å; E120-F307 HydrophobicContact CB-CE1 3.84Å; E120-F307 HydrophobicContact CG-CD1 4.35Å; E120-K368 IonicContact OE2-NZ 3.4Å
121Y97Very high90.7Very high16 Ų1629.3 Ų29.36%0.06315%0.145CC..EExtended strand (participates in β ladder)trans-151.3157.417868.9-86.3000112.5F80 F82 V111 L114 I119 K368 V369F80-Y121 CarbonylContact O-C 3.57Å; F80-Y121 WeakPolarHBondContact O-CA 3.43Å; F82-Y121 HydrophobicContact CD2-CD2 4.34Å; F82-Y121 AromaticContact CE2-CD2 3.93Å; F82-Y121 HydrophobicContact CE2-CD2 3.93Å; F82-Y121 HydrophobicContact CE2-CG 4.22Å; V111-Y121 HydrophobicContact CB-CE2 4.36Å; V111-Y121 HydrophobicContact CG1-CE1 4.15Å; V111-Y121 HydrophobicContact CG1-CE2 3.67Å; V111-Y121 VanDerWaalsContact CG1-CZ 3.41Å; V111-Y121 WeakPolarHBondContact CG1-OH 3.31Å; V111-Y121 HydrophobicContact CG2-CD2 4.12Å; V111-Y121 HydrophobicContact CG2-CE2 3.82Å; L114-Y121 HydrophobicContact CB-CD1 4Å; L114-Y121 HydrophobicContact CB-CE1 4.44Å; L114-Y121 HydrophobicContact CD1-CD1 4.14Å; L114-Y121 HydrophobicContact CD1-CG 4.07Å; I119-Y121 WeakPolarHBondContact O-CD1 2.98Å; Y121-K368 HydrophobicContact CE1-CD 4.43Å; Y121-K368 HydrophobicContact CE2-CB 4.34Å; Y121-K368 HydrophobicContact CE2-CD 3.79Å; Y121-K368 PolarHBondContact O-NZ 3.06Å; Y121-V369 HydrophobicContact CD2-CG2 4.43Å; Y121-V369 HydrophobicContact CE2-CG2 4.3Å
122M96Very high90.4Very high1 Ų129.2 Ų29.21%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-149.7157171.676.8171.4-146.700112.9F80 I81 F82 D131 I303 Y306 F307 R367F80-M122 PolarHBondContact O-N 3.43Å; I81-M122 CarbonylContact C-O 3.59Å; I81-M122 VanDerWaalsContact CA-O 3.31Å; I81-M122 WeakPolarHBondContact CA-O 3.04Å; I81-M122 HydrophobicContact CD1-CE 4.24Å; I81-M122 HydrophobicContact CG1-CG 4.32Å; I81-M122 HydrophobicContact CG2-CE 4.01Å; I81-M122 HydrophobicContact CG2-CG 4.19Å; F82-M122 PolarHBondContact N-O 3.14Å; M122-D131 HydrophobicContact CE-CB 4.38Å; M122-I303 HydrophobicContact CE-CB 4.42Å; M122-I303 HydrophobicContact CE-CD1 4.11Å; M122-I303 HydrophobicContact CE-CG1 3.84Å; M122-I303 HydrophobicContact CE-CG2 3.78Å; M122-I303 HydrophobicContact SD-CG2 3.86Å; M122-Y306 HydrophobicContact CB-CD1 4.07Å; M122-Y306 HydrophobicContact CB-CE1 3.58Å; M122-Y306 HydrophobicContact CG-CE1 4.48Å; M122-Y306 HydrophobicContact SD-CD1 3.83Å; M122-Y306 HydrophobicContact SD-CE1 4.28Å; M122-Y306 HydrophobicContact SD-CG 4.35Å; M122-F307 HydrophobicContact CB-CE1 4.34Å; M122-F307 HydrophobicContact CB-CZ 4.05Å; M122-F307 HydrophobicContact CG-CE1 4.48Å; M122-F307 HydrophobicContact CG-CE2 4.22Å; M122-F307 HydrophobicContact CG-CZ 3.72Å; M122-F307 HydrophobicContact SD-CE2 4.19Å; M122-F307 HydrophobicContact SD-CZ 4.2Å; M122-R367 CarbonylContact C-O 3.59Å; M122-R367 VanDerWaalsContact CA-O 3.3Å; M122-R367 WeakPolarHBondContact CA-O 3.43Å
123T95.1Very high90.1Very high3 Ų328.3 Ų28.32%0.01814%0.14CC..EExtended strand (participates in β ladder)trans-89131.9163.4-40.70000109.3F82 D83 Y366 R367 V369 P373F82-T123 HydrophobicContact CB-CG2 4.39Å; F82-T123 CarbonylContact O-C 3.33Å; F82-T123 WeakPolarHBondContact O-CA 3.33Å; D83-T123 WeakPolarHBondContact O-CG2 3.25Å; T123-Y366 WeakPolarHBondContact CB-O 3.39Å; T123-Y366 HydrophobicContact CG2-CE1 4.23Å; T123-Y366 PolarHBondContact OG1-O 3.21Å; T123-R367 PolarHBondContact N-O 2.89Å; T123-R367 WeakPolarHBondContact O-CD 3.4Å; T123-R367 PolarHBondContact O-NH1 2.94Å; T123-R367 PolarHBondContact OG1-O 3.34Å; T123-V369 VanDerWaalsContact OG1-CG2 3.32Å; T123-V369 WeakPolarHBondContact OG1-CG2 3.19Å; T123-P373 HydrophobicContact CG2-CG 4.4Å
124S91.5Very high89.6Confident1 Ų128.2 Ų28.21%0.00714%0.14CC..  trans-63.3157.3166.2179.80000110.8F82 G84 Y126 S127 D131 Y366F82-S124 PolarHBondContact O-N 2.93Å; G84-S124 WeakPolarHBondContact CA-O 3.21Å; S124-Y126 PolarHBondContact OG-N 3.4Å; S124-Y126 VanDerWaalsContact OG-N 3.14Å; S124-S127 PolarHBondContact OG-O 2.94Å; S124-D131 WeakPolarHBondContact CB-OD2 3.25Å; S124-D131 VanDerWaalsContact OG-CG 3.29Å; S124-D131 PolarHBondContact OG-OD2 2.88Å; S124-Y366 VanDerWaalsContact O-CE1 3.25Å; S124-Y366 WeakPolarHBondContact O-CE1 3.41Å; S124-Y366 PolarHBondContact O-OH 3.39Å
125L87.6Confident89.3Confident22 Ų2228.2 Ų28.212%0.11514%0.14CC..SBendtrans-64.6-34166.8-67.4177.8000111.4C85 N353 F354 A355 Y366C85-L125 VanDerWaalsContact CB-O 3.24Å; C85-L125 WeakPolarHBondContact CB-O 3.36Å; C85-L125 PolarHBondContact N-O 3.35Å; L125-N353 VanDerWaalsContact CD1-OD1 3.32Å; L125-N353 WeakPolarHBondContact CD1-OD1 3.43Å; L125-F354 HydrophobicContact CB-CE1 4.05Å; L125-F354 HydrophobicContact CB-CZ 4.21Å; L125-F354 HydrophobicContact CD2-CE1 4.25Å; L125-F354 HydrophobicContact CD2-CE2 4.15Å; L125-F354 HydrophobicContact CD2-CZ 3.73Å; L125-F354 WeakPolarHBondContact O-CE1 3.41Å; L125-A355 HydrophobicContact CD2-CB 3.94Å; L125-Y366 HydrophobicContact CD2-CD1 4.33Å; L125-Y366 HydrophobicContact CD2-CE1 4.01Å; L125-Y366 PolarHBondContact O-OH 2.9Å; L125-Y366 VanDerWaalsContact O-OH 3.09Å
126Y83.8Confident89.1Confident28 Ų2825.6 Ų25.611%0.1112%0.122CC..SBendtrans-126.3-120.7-178.7-62.5-75.2000110.2G84 C85 S124 K351 S352 F354 H381G84-Y126 CarbonylContact C-O 3.56Å; G84-Y126 WeakPolarHBondContact CA-O 3.24Å; G84-Y126 PolarHBondContact N-O 3.15Å; C85-Y126 HydrophobicContact CB-CD1 3.9Å; C85-Y126 HydrophobicContact CB-CE1 4.23Å; C85-Y126 CarbonylContact O-C 3.51Å; C85-Y126 WeakPolarHBondContact O-CA 3.31Å; C85-Y126 WeakPolarHBondContact O-CD1 3.43Å; S124-Y126 PolarHBondContact OG-N 3.4Å; S124-Y126 VanDerWaalsContact OG-N 3.14Å; Y126-K351 HydrophobicContact CD2-CD 4.38Å; Y126-K351 HydrophobicContact CD2-CG 4.33Å; Y126-K351 HydrophobicContact CE2-CB 4.3Å; Y126-K351 HydrophobicContact CE2-CD 4.46Å; Y126-K351 HydrophobicContact CE2-CG 4.06Å; Y126-S352 PolarHBondContact OH-O 2.85Å; Y126-F354 HydrophobicContact CE1-CD1 4.34Å; Y126-F354 HydrophobicContact CE1-CE1 4.24Å; Y126-H381 AromaticContact CE1-NE2 3.89Å
127S80.5Confident88.8Confident17 Ų1721.4 Ų21.412%0.11910%0.104CC..  trans-83.5134.9175.9-174.80000111.5D83 S124 Q129D83-S127 WeakPolarHBondContact OD1-CA 3.35Å; D83-S127 PolarHBondContact OD1-OG 3.38Å; S124-S127 PolarHBondContact OG-O 2.94Å; S127-Q129 PolarHBondContact O-N 2.95Å; S127-Q129 WeakPolarHBondContact OG-CB 3.24Å; S127-Q129 WeakPolarHBondContact OG-CG 3.07Å; S127-Q129 PolarHBondContact OG-N 2.9Å
128A87Confident88.4Confident0 Ų022.9 Ų22.90%011%0.109CC..Hα-helixtrans-61.3-25.5174.100000113.3I81 F82 D83 D131 A132I81-A128 HydrophobicContact CB-CB 4.25Å; I81-A128 HydrophobicContact CG2-CB 3.75Å; I81-A128 WeakPolarHBondContact O-CB 3.49Å; F82-A128 VanDerWaalsContact C-CB 3.47Å; D83-A128 PolarHBondContact OD1-N 3.32Å; A128-D131 PolarHBondContact O-N 3.45Å; A128-A132 WeakPolarHBondContact O-CB 3.44Å; A128-A132 PolarHBondContact O-N 3.05Å
129Q80.2Confident88.1Confident11 Ų1116.6 Ų16.65%0.0518%0.081CC..Hα-helixtrans-51.1-58.9-175.8-80.7-175.813.500113.7S127 A133 Y148 I150S127-Q129 PolarHBondContact O-N 2.95Å; S127-Q129 WeakPolarHBondContact OG-CB 3.24Å; S127-Q129 WeakPolarHBondContact OG-CG 3.07Å; S127-Q129 PolarHBondContact OG-N 2.9Å; Q129-A133 WeakPolarHBondContact O-CB 3.28Å; Q129-A133 PolarHBondContact O-N 3.44Å; Q129-Y148 HydrophobicContact CG-CD2 4.06Å; Q129-Y148 HydrophobicContact CG-CE2 4.22Å; Q129-Y148 HydrophobicContact CG-CG 4.45Å; Q129-Y148 VanDerWaalsContact NE2-CD2 3.31Å; Q129-Y148 VanDerWaalsContact NE2-CG 3.34Å; Q129-I150 VanDerWaalsContact C-CD1 3.47Å; Q129-I150 HydrophobicContact CB-CD1 3.25Å; Q129-I150 HydrophobicContact CB-CG2 4.33Å; Q129-I150 HydrophobicContact CG-CD1 3.7Å; Q129-I150 WeakPolarHBondContact O-CD1 3.22Å
130F79.9Confident87.6Confident10 Ų1018.7 Ų18.74%0.0449%0.09CC..Hα-helixtrans-66.8-43.4-178.8178.8-100.6000111.4A132 A133 S134 Y151 A291 D294 V296 T299F130-A132 PolarHBondContact O-N 3.41Å; F130-A133 PolarHBondContact O-N 3.35Å; F130-S134 WeakPolarHBondContact CZ-OG 3.29Å; F130-S134 VanDerWaalsContact O-CB 3.25Å; F130-S134 WeakPolarHBondContact O-CB 3.39Å; F130-S134 PolarHBondContact O-N 3.46Å; F130-S134 PolarHBondContact O-OG 3.23Å; F130-Y151 HydrophobicContact CD2-CE2 4.43Å; F130-A291 WeakPolarHBondContact CD2-O 3.28Å; F130-A291 WeakPolarHBondContact CE2-O 3.26Å; F130-D294 HydrophobicContact CE1-CB 3.82Å; F130-D294 HydrophobicContact CE2-CB 4.45Å; F130-D294 HydrophobicContact CZ-CB 3.56Å; F130-V296 HydrophobicContact CE2-CG2 4.13Å; F130-V296 HydrophobicContact CZ-CG2 4.19Å; F130-T299 HydrophobicContact CD1-CG2 4.21Å; F130-T299 HydrophobicContact CE1-CG2 3.8Å
131D86.1Confident87.4Confident22 Ų2215 Ų1512%0.1187%0.073CC..Hα-helixtrans-60.7-44.5179.1-75.514.3000111.4I81 M122 S124 A128 S134 L135 I303I81-D131 HydrophobicContact CD1-CB 4.42Å; I81-D131 HydrophobicContact CG2-CB 4.27Å; M122-D131 HydrophobicContact CE-CB 4.38Å; S124-D131 WeakPolarHBondContact CB-OD2 3.25Å; S124-D131 VanDerWaalsContact OG-CG 3.29Å; S124-D131 PolarHBondContact OG-OD2 2.88Å; A128-D131 PolarHBondContact O-N 3.45Å; D131-S134 PolarHBondContact O-N 3.32Å; D131-L135 WeakPolarHBondContact O-CB 2.97Å; D131-L135 PolarHBondContact O-N 3.18Å; D131-I303 HydrophobicContact CB-CD1 3.48Å; D131-I303 VanDerWaalsContact CB-CD1 3.48Å; D131-I303 WeakPolarHBondContact O-CD1 3.47Å
132A89.6Confident87.1Confident0 Ų014.8 Ų14.80%07%0.074CC..Hα-helixtrans-68.2-43.3178.900000112.2V32 I81 A128 F130 S136 F143V32-A132 HydrophobicContact CG1-CB 3.72Å; I81-A132 HydrophobicContact CB-CB 4.29Å; I81-A132 HydrophobicContact CD1-CB 4Å; I81-A132 HydrophobicContact CG1-CB 4.42Å; A128-A132 WeakPolarHBondContact O-CB 3.44Å; A128-A132 PolarHBondContact O-N 3.05Å; F130-A132 PolarHBondContact O-N 3.41Å; A132-S136 WeakPolarHBondContact O-CB 3.42Å; A132-S136 PolarHBondContact O-N 3.13Å; A132-S136 PolarHBondContact O-OG 3.32Å; A132-F143 HydrophobicContact CB-CD2 4.03Å; A132-F143 HydrophobicContact CB-CE2 3.5Å; A132-F143 VanDerWaalsContact CB-CE2 3.5Å; A132-F143 HydrophobicContact CB-CZ 4.13Å
133A85Confident86.9Confident7 Ų714.9 Ų14.96%0.0588%0.075CC..Hα-helixtrans-63.4-44.417500000111.4Q129 F130 S136 I137 L169Q129-A133 WeakPolarHBondContact O-CB 3.28Å; Q129-A133 PolarHBondContact O-N 3.44Å; F130-A133 PolarHBondContact O-N 3.35Å; A133-S136 PolarHBondContact O-N 2.66Å; A133-I137 WeakPolarHBondContact O-CG1 3.4Å; A133-I137 PolarHBondContact O-N 3.39Å; A133-L169 HydrophobicContact CB-CD1 4.3Å; A133-L169 HydrophobicContact CB-CD2 4.13Å
134S83.5Confident86.8Confident1 Ų115 Ų151%0.0078%0.075CC..Hα-helixtrans-62-45.4178.6-61.60000111.8F130 D131 S136 I137 Y138F130-S134 WeakPolarHBondContact CZ-OG 3.29Å; F130-S134 VanDerWaalsContact O-CB 3.25Å; F130-S134 WeakPolarHBondContact O-CB 3.39Å; F130-S134 PolarHBondContact O-N 3.46Å; F130-S134 PolarHBondContact O-OG 3.23Å; D131-S134 PolarHBondContact O-N 3.32Å; S134-S136 VanDerWaalsContact C-N 3.35Å; S134-S136 PolarHBondContact O-N 2.76Å; S134-I137 PolarHBondContact O-N 3Å; S134-Y138 VanDerWaalsContact O-CB 3.29Å; S134-Y138 WeakPolarHBondContact O-CB 3.26Å; S134-Y138 PolarHBondContact O-N 2.93Å
135L89.7Confident86.7Confident0 Ų015 Ų150%08%0.075CC..Hα-helixtrans-61.5-42.6174-177.264.7000111.9V32 L79 I81 D131 Y138 L139 I303 A304 F307V32-L135 HydrophobicContact CG1-CD2 4.21Å; V32-L135 HydrophobicContact CG2-CB 4.35Å; V32-L135 HydrophobicContact CG2-CD2 3.8Å; V32-L135 HydrophobicContact CG2-CG 3.94Å; L79-L135 HydrophobicContact CB-CD2 4.5Å; L79-L135 HydrophobicContact CD1-CD2 3.98Å; I81-L135 HydrophobicContact CD1-CD2 3.96Å; D131-L135 WeakPolarHBondContact O-CB 2.97Å; D131-L135 PolarHBondContact O-N 3.18Å; L135-Y138 PolarHBondContact O-N 3.42Å; L135-L139 HydrophobicContact CD1-CD1 3.69Å; L135-L139 HydrophobicContact CD1-CG 3.92Å; L135-L139 HydrophobicContact CD2-CD1 4.38Å; L135-L139 HydrophobicContact CG-CD1 3.8Å; L135-L139 HydrophobicContact CG-CG 4.3Å; L135-L139 WeakPolarHBondContact O-CB 3.48Å; L135-L139 WeakPolarHBondContact O-CG 3.36Å; L135-L139 PolarHBondContact O-N 2.99Å; L135-I303 HydrophobicContact CB-CG2 4.2Å; L135-I303 HydrophobicContact CD1-CB 4.2Å; L135-I303 HydrophobicContact CD1-CG2 3.93Å; L135-I303 HydrophobicContact CD2-CG2 3.75Å; L135-I303 HydrophobicContact CG-CG2 4.17Å; L135-A304 HydrophobicContact CD1-CB 3.88Å; L135-F307 HydrophobicContact CD2-CD2 3.87Å; L135-F307 HydrophobicContact CD2-CE2 3.73Å
136S89.4Confident86.3Confident2 Ų214.8 Ų14.81%0.0148%0.075CC..Hα-helixtrans-64-42.6-179.4-570000112.4V32 A132 A133 S134 H140 C141 F143V32-S136 WeakPolarHBondContact CB-OG 3.47Å; V32-S136 WeakPolarHBondContact CG2-OG 2.81Å; A132-S136 WeakPolarHBondContact O-CB 3.42Å; A132-S136 PolarHBondContact O-N 3.13Å; A132-S136 PolarHBondContact O-OG 3.32Å; A133-S136 PolarHBondContact O-N 2.66Å; S134-S136 VanDerWaalsContact C-N 3.35Å; S134-S136 PolarHBondContact O-N 2.76Å; S136-H140 WeakPolarHBondContact O-CA 3.39Å; S136-H140 PolarHBondContact O-N 3.47Å; S136-C141 PolarHBondContact O-N 3.21Å; S136-F143 WeakPolarHBondContact OG-CB 3.39Å
137I84.3Confident85.5Confident17 Ų1714 Ų149%0.0877%0.074CC..Hα-helixtrans-64-45.4175.1-68.8165.7000109.9A133 S134 L139 H140 L169 V296A133-I137 WeakPolarHBondContact O-CG1 3.4Å; A133-I137 PolarHBondContact O-N 3.39Å; S134-I137 PolarHBondContact O-N 3Å; I137-L139 PolarHBondContact O-N 3.41Å; I137-H140 PolarHBondContact O-N 2.84Å; I137-H140 PolarHBondContact O-ND1 3.36Å; I137-L169 HydrophobicContact CD1-CB 4.43Å; I137-L169 HydrophobicContact CD1-CD1 4.43Å; I137-L169 HydrophobicContact CG1-CB 4.32Å; I137-L169 HydrophobicContact CG1-CD1 3.95Å; I137-V296 HydrophobicContact CB-CG1 4.38Å; I137-V296 HydrophobicContact CD1-CG1 3.93Å; I137-V296 HydrophobicContact CG2-CG1 4.34Å
138Y84.7Confident84.5Confident50 Ų5015.1 Ų15.120%0.1968%0.076CC..Hα-helixtrans-62.5-41.5179.8-179.2-92.7000112.8S134 L135 L301 A304S134-Y138 VanDerWaalsContact O-CB 3.29Å; S134-Y138 WeakPolarHBondContact O-CB 3.26Å; S134-Y138 PolarHBondContact O-N 2.93Å; L135-Y138 PolarHBondContact O-N 3.42Å; Y138-L301 HydrophobicContact CD2-CB 4.47Å; Y138-L301 HydrophobicContact CE2-CB 3.91Å; Y138-L301 HydrophobicContact CE2-CD1 4.22Å; Y138-L301 WeakPolarHBondContact OH-CD1 3.33Å; Y138-A304 HydrophobicContact CD1-CB 3.76Å; Y138-A304 HydrophobicContact CE1-CB 3.56Å
139L87.6Confident83Confident44 Ų4416 Ų1623%0.238%0.081CC..Hα-helixtrans-85.7-5.1179-64.3179.5000113.9V30 L79 L135 I137 C141 A304 L309V30-L139 HydrophobicContact CG1-CD1 4.29Å; L79-L139 HydrophobicContact CD1-CD1 3.71Å; L135-L139 HydrophobicContact CD1-CD1 3.69Å; L135-L139 HydrophobicContact CD1-CG 3.92Å; L135-L139 HydrophobicContact CD2-CD1 4.38Å; L135-L139 HydrophobicContact CG-CD1 3.8Å; L135-L139 HydrophobicContact CG-CG 4.3Å; L135-L139 WeakPolarHBondContact O-CB 3.48Å; L135-L139 WeakPolarHBondContact O-CG 3.36Å; L135-L139 PolarHBondContact O-N 2.99Å; I137-L139 PolarHBondContact O-N 3.41Å; L139-C141 VanDerWaalsContact C-N 3.34Å; L139-C141 HydrophobicContact CB-CB 4.39Å; L139-C141 PolarHBondContact O-N 2.97Å; L139-A304 HydrophobicContact CD2-CB 4.48Å; L139-L309 HydrophobicContact CD1-CD1 3.66Å; L139-L309 HydrophobicContact CD2-CD1 4.14Å
140H86.4Confident81.7Confident57 Ų5716.1 Ų16.126%0.2648%0.082SC..THydrogen-bonded Turntrans54.146.7-174.3-57.3-69.4000113.2S136 I137 Q167S136-H140 WeakPolarHBondContact O-CA 3.39Å; S136-H140 PolarHBondContact O-N 3.47Å; I137-H140 PolarHBondContact O-N 2.84Å; I137-H140 PolarHBondContact O-ND1 3.36Å; H140-Q167 PolarHBondContact CE1-OE1 3.49Å; H140-Q167 PolarHBondContact ND1-OE1 3.49Å
141C90Very high80.6Confident5 Ų516.7 Ų16.73%0.0348%0.084CC..  trans-129.5162.7-174.172.60000113.3V30 S136 L139V30-C141 HydrophobicContact CB-CB 4.31Å; V30-C141 WeakPolarHBondContact O-CB 3.47Å; S136-C141 PolarHBondContact O-N 3.21Å; L139-C141 VanDerWaalsContact C-N 3.34Å; L139-C141 HydrophobicContact CB-CB 4.39Å; L139-C141 PolarHBondContact O-N 2.97Å
142P92.1Very high79Confident13 Ų1316 Ų168%0.0848%0.079CC..  trans-64.3137178.7-22.333.9000113.4L26 V30 V31 V32 I170 V172L26-P142 HydrophobicContact CD2-CB 4.4Å; L26-P142 HydrophobicContact CD2-CG 3.92Å; V30-P142 WeakPolarHBondContact O-CD 3.49Å; V31-P142 WeakPolarHBondContact CA-O 3.4Å; V31-P142 HydrophobicContact CG1-CB 4.14Å; V31-P142 HydrophobicContact CG1-CG 4.22Å; V32-P142 PolarHBondContact N-O 3.5Å; P142-I170 CarbonylContact C-O 3.54Å; P142-I170 WeakPolarHBondContact CA-O 3.34Å; P142-I170 HydrophobicContact CB-CG2 4.15Å; P142-I170 HydrophobicContact CG-CG2 4.17Å; P142-V172 HydrophobicContact CB-CG2 4.15Å
143F91.7Very high77.4Confident2 Ų216.7 Ų16.71%0.0098%0.083CC..EExtended strand (participates in β ladder)trans-101125.1169.2175.9-135000110.8V32 H34 A132 S136 A145 I150 L169 I170 Y171 V172V32-F143 CarbonylContact O-C 3.58Å; V32-F143 WeakPolarHBondContact O-CA 3.46Å; H34-F143 HydrophobicContact CB-CE2 4.16Å; H34-F143 HydrophobicContact CB-CZ 4.37Å; A132-F143 HydrophobicContact CB-CD2 4.03Å; A132-F143 HydrophobicContact CB-CE2 3.5Å; A132-F143 VanDerWaalsContact CB-CE2 3.5Å; A132-F143 HydrophobicContact CB-CZ 4.13Å; S136-F143 WeakPolarHBondContact OG-CB 3.39Å; F143-A145 HydrophobicContact CE1-CB 3.98Å; F143-A145 HydrophobicContact CE2-CB 4.09Å; F143-A145 HydrophobicContact CZ-CB 3.58Å; F143-I150 HydrophobicContact CE1-CD1 4.23Å; F143-L169 HydrophobicContact CB-CD1 3.89Å; F143-L169 HydrophobicContact CB-CG 4.47Å; F143-L169 HydrophobicContact CD1-CD1 4.44Å; F143-L169 HydrophobicContact CD1-CD2 4.03Å; F143-I170 PolarHBondContact N-O 3.33Å; F143-Y171 AromaticContact CD1-CD2 3.73Å; F143-Y171 HydrophobicContact CD1-CD2 3.73Å; F143-Y171 HydrophobicContact CD1-CE2 4.2Å; F143-Y171 HydrophobicContact CE1-CD2 4.25Å; F143-Y171 HydrophobicContact CE1-CE2 4.29Å; F143-V172 PolarHBondContact O-N 3.2Å
144I92.4Very high76Confident6 Ų618 Ų183%0.0319%0.087CC..EExtended strand (participates in β ladder)trans-110.3121.2-179.2-63165.9000110.9L26 V31 V32 I33 H34 V172 I174 L177L26-I144 HydrophobicContact CD1-CD1 4.4Å; V31-I144 HydrophobicContact CB-CD1 4.02Å; V31-I144 HydrophobicContact CG1-CD1 4.27Å; V31-I144 HydrophobicContact CG2-CD1 4.07Å; V32-I144 PolarHBondContact O-N 3.37Å; I33-I144 HydrophobicContact CD1-CD1 4.22Å; I33-I144 HydrophobicContact CG1-CB 4.18Å; I33-I144 HydrophobicContact CG1-CD1 4.12Å; I33-I144 HydrophobicContact CG2-CB 4.3Å; I33-I144 HydrophobicContact CG2-CG2 4.23Å; H34-I144 PolarHBondContact N-O 3.02Å; I144-V172 WeakPolarHBondContact CA-O 3.45Å; I144-V172 HydrophobicContact CG1-CB 4.11Å; I144-V172 HydrophobicContact CG1-CG1 4.41Å; I144-I174 HydrophobicContact CG2-CB 3.87Å; I144-I174 HydrophobicContact CG2-CD1 4.29Å; I144-I174 HydrophobicContact CG2-CG1 3.79Å; I144-L177 HydrophobicContact CD1-CD1 4.05Å; I144-L177 HydrophobicContact CG1-CD1 4.37Å; I144-L177 HydrophobicContact CG2-CD1 3.64Å
145A88.7Confident74Confident0 Ų019.8 Ų19.80%010%0.099CC..EExtended strand (participates in β ladder)trans-156.7168.4175.100000113H34 F143 Y148 Y171 V172 P173 I174H34-A145 HydrophobicContact CB-CB 3.86Å; F143-A145 HydrophobicContact CE1-CB 3.98Å; F143-A145 HydrophobicContact CE2-CB 4.09Å; F143-A145 HydrophobicContact CZ-CB 3.58Å; A145-Y148 HydrophobicContact CB-CD2 4.41Å; A145-Y171 HydrophobicContact CB-CE2 4.16Å; A145-Y171 PolarHBondContact O-OH 3.39Å; A145-V172 PolarHBondContact N-O 2.86Å; A145-P173 CarbonylContact O-C 3.52Å; A145-P173 VanDerWaalsContact O-CA 3.27Å; A145-P173 WeakPolarHBondContact O-CA 3.28Å; A145-I174 PolarHBondContact O-N 3.37Å
146S80Confident72Confident18 Ų1821.5 Ų21.513%0.12611%0.113CC..SBendtrans-71.8-52.8-171.366.20000114.8D37 I174 H175D37-S146 VanDerWaalsContact OD2-CB 3.26Å; D37-S146 WeakPolarHBondContact OD2-CB 3.33Å; D37-S146 PolarHBondContact OD2-N 3.04Å; D37-S146 PolarHBondContact OD2-OG 3.47Å; S146-I174 VanDerWaalsContact CA-CG2 3.48Å; S146-H175 PolarHBondContact O-ND1 3.4Å; S146-H175 VanDerWaalsContact O-ND1 3.12Å
147S67.6Low69.8Low13 Ų1325.3 Ų25.39%0.09113%0.13CC..  trans-175.5123.8162.461.20000108.9T6 Y171T6-S147 WeakPolarHBondContact CB-OG 3.49Å; T6-S147 WeakPolarHBondContact CG2-OG 3.31Å; T6-S147 PolarHBondContact OG1-OG 2.97Å; S147-Y171 WeakPolarHBondContact CA-OH 3.38Å
148Y59.2Low67.7Low40 Ų4025.4 Ų25.416%0.15713%0.134CC..  trans-142.1142.8165.6-65.1-66.5000114.1D37 Q94 Q129 A145 I150D37-Y148 PolarHBondContact OD1-OH 3.26Å; D37-Y148 WeakPolarHBondContact OD2-CE2 3.42Å; Q94-Y148 HydrophobicContact CG-CE1 3.8Å; Q94-Y148 PolarHBondContact OE1-OH 3.05Å; Q129-Y148 HydrophobicContact CG-CD2 4.06Å; Q129-Y148 HydrophobicContact CG-CE2 4.22Å; Q129-Y148 HydrophobicContact CG-CG 4.45Å; Q129-Y148 VanDerWaalsContact NE2-CD2 3.31Å; Q129-Y148 VanDerWaalsContact NE2-CG 3.34Å; A145-Y148 HydrophobicContact CB-CD2 4.41Å; Y148-I150 PolarHBondContact O-N 2.92Å
149D54.1Low65.4Low19 Ų1926.2 Ų26.210%0.10214%0.144CC..  trans-77.453.7163.9-61.2-63.7000110.8L10 Y151 Y152L10-D149 WeakPolarHBondContact CD1-OD1 3.24Å; L10-D149 WeakPolarHBondContact CD1-OD2 3.45Å; D149-Y151 WeakPolarHBondContact O-CD1 3.47Å; D149-Y152 HydrophobicContact CB-CE1 4.18Å
150I54.5Low63.1Low12 Ų1233.6 Ų33.66%0.06218%0.175CC..  trans-114.4116.5172.574.5177.8000112.3Q129 F143 Y148Q129-I150 VanDerWaalsContact C-CD1 3.47Å; Q129-I150 HydrophobicContact CB-CD1 3.25Å; Q129-I150 HydrophobicContact CB-CG2 4.33Å; Q129-I150 HydrophobicContact CG-CD1 3.7Å; Q129-I150 WeakPolarHBondContact O-CD1 3.22Å; F143-I150 HydrophobicContact CE1-CD1 4.23Å; Y148-I150 PolarHBondContact O-N 2.92Å
151Y55.6Low60.8Low22 Ų2235.8 Ų35.89%0.08619%0.192CC..SBendcis-128.663.8-29.4-65.8-70.6000106F130 D149 M153 F154 S212 F292F130-Y151 HydrophobicContact CD2-CE2 4.43Å; D149-Y151 WeakPolarHBondContact O-CD1 3.47Å; Y151-M153 VanDerWaalsContact C-N 3.34Å; Y151-M153 PolarHBondContact O-N 2.71Å; Y151-F154 HydrophobicContact CD2-CE2 4.14Å; Y151-F154 HydrophobicContact CD2-CZ 4.22Å; Y151-F154 HydrophobicContact CG-CE2 4.45Å; Y151-F154 HydrophobicContact CG-CZ 4.38Å; Y151-S212 VanDerWaalsContact C-OG 3.27Å; Y151-S212 WeakPolarHBondContact CA-OG 3.32Å; Y151-F292 AromaticContact CD1-CD1 3.64Å; Y151-F292 HydrophobicContact CD1-CD1 3.64Å; Y151-F292 AromaticContact CD1-CE1 3.47Å; Y151-F292 HydrophobicContact CD1-CE1 3.47Å; Y151-F292 VanDerWaalsContact CD1-CE1 3.47Å; Y151-F292 HydrophobicContact CD1-CE2 4.31Å; Y151-F292 HydrophobicContact CD1-CG 4.26Å; Y151-F292 AromaticContact CD1-CZ 3.83Å; Y151-F292 HydrophobicContact CD1-CZ 3.83Å; Y151-F292 AromaticContact CD2-CD1 3.66Å; Y151-F292 HydrophobicContact CD2-CD1 3.66Å; Y151-F292 HydrophobicContact CD2-CE1 4.09Å; Y151-F292 HydrophobicContact CD2-CG 4.48Å; Y151-F292 AromaticContact CE1-CD1 3.62Å; Y151-F292 HydrophobicContact CE1-CD1 3.62Å; Y151-F292 AromaticContact CE1-CE1 3.03Å; Y151-F292 HydrophobicContact CE1-CE1 3.03Å; Y151-F292 HydrophobicContact CE1-CE2 4.4Å; Y151-F292 AromaticContact CE1-CZ 3.5Å; Y151-F292 HydrophobicContact CE1-CZ 3.5Å; Y151-F292 AromaticContact CE2-CD1 3.61Å; Y151-F292 HydrophobicContact CE2-CD1 3.61Å; Y151-F292 AromaticContact CE2-CE1 3.7Å; Y151-F292 HydrophobicContact CE2-CE1 3.7Å; Y151-F292 AromaticContact CG-CD1 3.67Å; Y151-F292 HydrophobicContact CG-CD1 3.67Å; Y151-F292 AromaticContact CG-CE1 4Å; Y151-F292 HydrophobicContact CG-CE1 4Å; Y151-F292 HydrophobicContact CG-CG 4.21Å; Y151-F292 AromaticContact CZ-CD1 3.61Å; Y151-F292 AromaticContact CZ-CE1 3.16Å
152Y53.5Low58.4Low8 Ų837.6 Ų37.63%0.03120%0.2CC..THydrogen-bonded Turntrans52.247.3-168.7-48.6-36.5000114.2D149 F154 Q195 F200 R208 L211 S212D149-Y152 HydrophobicContact CB-CE1 4.18Å; Y152-F154 VanDerWaalsContact C-N 3.26Å; Y152-F154 PolarHBondContact O-N 3.12Å; Y152-Q195 PolarHBondContact O-NE2 3.41Å; Y152-Q195 VanDerWaalsContact O-NE2 3.16Å; Y152-Q195 PolarHBondContact O-OE1 3.04Å; Y152-Q195 VanDerWaalsContact O-OE1 3.07Å; Y152-F200 AromaticContact CD1-CD1 3.47Å; Y152-F200 HydrophobicContact CD1-CD1 3.47Å; Y152-F200 VanDerWaalsContact CD1-CD1 3.47Å; Y152-F200 AromaticContact CD1-CE1 3.13Å; Y152-F200 HydrophobicContact CD1-CE1 3.13Å; Y152-F200 HydrophobicContact CD1-CE2 4.34Å; Y152-F200 HydrophobicContact CD1-CG 4.22Å; Y152-F200 AromaticContact CD1-CZ 3.62Å; Y152-F200 HydrophobicContact CD1-CZ 3.62Å; Y152-F200 HydrophobicContact CD2-CD1 4.47Å; Y152-F200 AromaticContact CE1-CD1 3.65Å; Y152-F200 HydrophobicContact CE1-CD1 3.65Å; Y152-F200 AromaticContact CE1-CE1 2.85Å; Y152-F200 HydrophobicContact CE1-CE1 2.85Å; Y152-F200 HydrophobicContact CE1-CE2 4.42Å; Y152-F200 AromaticContact CE1-CZ 3.34Å; Y152-F200 HydrophobicContact CE1-CZ 3.34Å; Y152-F200 HydrophobicContact CE2-CE1 4.25Å; Y152-F200 AromaticContact CG-CD1 3.96Å; Y152-F200 HydrophobicContact CG-CD1 3.96Å; Y152-F200 HydrophobicContact CG-CE1 4.03Å; Y152-F200 AromaticContact CZ-CE1 3.45Å; Y152-F200 VanDerWaalsContact CZ-CE1 3.45Å; Y152-R208 HydrophobicContact CD2-CB 3.85Å; Y152-R208 HydrophobicContact CD2-CG 4.35Å; Y152-R208 WeakPolarHBondContact CD2-O 3.26Å; Y152-R208 WeakPolarHBondContact CE2-O 3.39Å; Y152-R208 HydrophobicContact CG-CB 4.45Å; Y152-L211 HydrophobicContact CD2-CB 4.26Å; Y152-L211 HydrophobicContact CD2-CD2 4.32Å; Y152-L211 HydrophobicContact CD2-CG 4.41Å; Y152-L211 HydrophobicContact CE2-CB 3.45Å; Y152-L211 VanDerWaalsContact CE2-CB 3.45Å; Y152-L211 HydrophobicContact CE2-CD2 3.62Å; Y152-L211 HydrophobicContact CE2-CG 3.38Å; Y152-L211 WeakPolarHBondContact OH-CG 3.46Å; Y152-L211 PolarHBondContact OH-O 3.44Å; Y152-S212 WeakPolarHBondContact CD2-OG 3.41Å; Y152-S212 VanDerWaalsContact CE2-N 3.27Å; Y152-S212 WeakPolarHBondContact CE2-OG 3.14Å
153M55Low56Low14 Ų1439 Ų397%0.06921%0.213CC..THydrogen-bonded Turntrans57.715.1155.1-54.1-170.3165.200118.9Y151 E168 L169 Y171 F193 Q195Y151-M153 VanDerWaalsContact C-N 3.34Å; Y151-M153 PolarHBondContact O-N 2.71Å; M153-E168 HydrophobicContact CB-CG 3.96Å; M153-L169 HydrophobicContact CB-CB 4.27Å; M153-L169 HydrophobicContact CG-CB 4.33Å; M153-Y171 HydrophobicContact CE-CD1 3.68Å; M153-Y171 HydrophobicContact CE-CG 3.75Å; M153-F193 HydrophobicContact CE-CD1 3.35Å; M153-F193 HydrophobicContact CE-CE1 3.81Å; M153-F193 HydrophobicContact CE-CG 4.37Å; M153-F193 HydrophobicContact SD-CD1 3.68Å; M153-F193 HydrophobicContact SD-CE1 3.94Å; M153-Q195 HydrophobicContact CB-CB 4.45Å; M153-Q195 HydrophobicContact SD-CB 4.04Å
154F55.1Low53.4Low35 Ų3545.8 Ų45.815%0.15425%0.249CC..SBendtrans41.2126164.8-65.5-74.6000118.3Y151 Y152 F292Y151-F154 HydrophobicContact CD2-CE2 4.14Å; Y151-F154 HydrophobicContact CD2-CZ 4.22Å; Y151-F154 HydrophobicContact CG-CE2 4.45Å; Y151-F154 HydrophobicContact CG-CZ 4.38Å; Y152-F154 VanDerWaalsContact C-N 3.26Å; Y152-F154 PolarHBondContact O-N 3.12Å; F154-F292 VanDerWaalsContact CE1-O 3.32Å; F154-F292 WeakPolarHBondContact CE1-O 3.38Å
155P43.6Very low50.8Low38 Ų3848.6 Ų48.625%0.24726%0.264CS..  cis-128.3147.846.639.7-29000115A158 A163 M166P155-A158 HydrophobicContact CB-CB 3.89Å; P155-A158 HydrophobicContact CG-CB 3.96Å; P155-A163 HydrophobicContact CG-CB 4.37Å; P155-M166 HydrophobicContact CB-CB 3.82Å; P155-M166 HydrophobicContact CB-CG 4.12Å; P155-M166 HydrophobicContact CG-CB 3.88Å
156A46.1Very low48.9Very low36 Ų3651.1 Ų51.130%0.29828%0.276SS..SBendtrans-105.5-9.6166.500000113.9P205 P209A156-P205 WeakPolarHBondContact CB-O 3.29Å; A156-P209 HydrophobicContact CB-CG 3.83Å
157Q42.8Very low47.8Very low82 Ų8255.2 Ų55.238%0.38329%0.293SS..SBendtrans-13362.4178.5-71.4-16214.500112.4H336Q157-H336 PolarHBondContact NE2-ND1 3.33Å
158A40.9Very low48Very low20 Ų2058 Ų5817%0.16530%0.304CS..  trans-122.8119.5169.500000102.5P155 E162 A163P155-A158 HydrophobicContact CB-CB 3.89Å; P155-A158 HydrophobicContact CG-CB 3.96Å; A158-E162 HydrophobicContact CB-CB 3.53Å; A158-E162 WeakPolarHBondContact CB-O 3.33Å; A158-A163 HydrophobicContact CB-CB 3.83Å
159T36.4Very low49Very low66 Ų6656.4 Ų56.441%0.40530%0.299SS..  trans-45.8157.5166.953.10000108.3T161 E162 A163T159-T161 CarbonylContact O-C 3.58Å; T159-T161 PolarHBondContact O-N 3.1Å; T159-T161 PolarHBondContact OG1-OG1 3.03Å; T159-E162 PolarHBondContact N-OE2 2.67Å; T159-E162 VanDerWaalsContact N-OE2 3.08Å; T159-E162 PolarHBondContact O-N 2.94Å; T159-E162 PolarHBondContact OG1-OE2 3.46Å; T159-A163 PolarHBondContact O-N 2.96Å
160K38.8Very low50.4Low200 Ų20058.5 Ų58.587%0.8731%0.309SS*.THydrogen-bonded Turntrans-44.5-29.6179.1-92.9-176.2175.3179.90113.5N164K160-N164 PolarHBondContact O-ND2 3.36Å
161T38.2Very low52Low102 Ų10258.9 Ų58.963%0.62631%0.31SS*.THydrogen-bonded Turntrans-68.4-45.9171.618.30000115T159 I165T159-T161 CarbonylContact O-C 3.58Å; T159-T161 PolarHBondContact O-N 3.1Å; T159-T161 PolarHBondContact OG1-OG1 3.03Å; T161-I165 WeakPolarHBondContact O-CG1 3.32Å
162E39.8Very low53.7Low43 Ų4357.8 Ų57.820%0.20131%0.306CS..THydrogen-bonded Turntrans-85.6-22.3-177.4-65.4162.9139.700113.4A158 T159 N164 I165 M166A158-E162 HydrophobicContact CB-CB 3.53Å; A158-E162 WeakPolarHBondContact CB-O 3.33Å; T159-E162 PolarHBondContact N-OE2 2.67Å; T159-E162 VanDerWaalsContact N-OE2 3.08Å; T159-E162 PolarHBondContact O-N 2.94Å; T159-E162 PolarHBondContact OG1-OE2 3.46Å; E162-N164 PolarHBondContact O-N 3.08Å; E162-N164 VanDerWaalsContact O-N 3.16Å; E162-I165 HydrophobicContact CG-CD1 4.32Å; E162-I165 WeakPolarHBondContact O-CA 3.46Å; E162-I165 WeakPolarHBondContact O-CB 3.47Å; E162-I165 PolarHBondContact O-N 2.87Å; E162-M166 PolarHBondContact O-N 3.36Å; E162-M166 VanDerWaalsContact O-N 3.12Å
163A42.4Very low55.3Low43 Ų4357.6 Ų57.636%0.35531%0.306SS..THydrogen-bonded Turntrans-63-21.8176.800000111.1P155 A158 T159 I165P155-A163 HydrophobicContact CG-CB 4.37Å; A158-A163 HydrophobicContact CB-CB 3.83Å; T159-A163 PolarHBondContact O-N 2.96Å; A163-I165 VanDerWaalsContact C-N 3.34Å
164N36.5Very low56.9Low144 Ų14457.1 Ų57.177%0.7730%0.303SS*.THydrogen-bonded Turntrans-81.6-9.8170.9-61.5-27.8000113.3K160 E162K160-N164 PolarHBondContact O-ND2 3.36Å; E162-N164 PolarHBondContact O-N 3.08Å; E162-N164 VanDerWaalsContact O-N 3.16Å
165I39Very low58.4Low66 Ų6658.7 Ų58.734%0.33831%0.311SS..THydrogen-bonded Turntrans-104.8-35.8-172.8-54.7179.8000111.7T161 E162 A163 Q167 I322T161-I165 WeakPolarHBondContact O-CG1 3.32Å; E162-I165 HydrophobicContact CG-CD1 4.32Å; E162-I165 WeakPolarHBondContact O-CA 3.46Å; E162-I165 WeakPolarHBondContact O-CB 3.47Å; E162-I165 PolarHBondContact O-N 2.87Å; A163-I165 VanDerWaalsContact C-N 3.34Å; I165-Q167 PolarHBondContact O-N 3.39Å; I165-I322 HydrophobicContact CG2-CD1 3.32Å
166M47.1Very low60.4Low53 Ų5359 Ų5926%0.26131%0.311SS..SBendtrans-78.4111.2172.7-73.7-89.3-168.200109.4P155 E162 R297P155-M166 HydrophobicContact CB-CB 3.82Å; P155-M166 HydrophobicContact CB-CG 4.12Å; P155-M166 HydrophobicContact CG-CB 3.88Å; E162-M166 PolarHBondContact O-N 3.36Å; E162-M166 VanDerWaalsContact O-N 3.12Å; M166-R297 HydrophobicContact CE-CG 4.02Å
167Q58.7Low62.5Low104 Ų10457.9 Ų57.949%0.48630%0.299SS..PPolyproline II helixtrans-72.7144175.8-84.5-177.1-0.800111.8H140 I165H140-Q167 PolarHBondContact CE1-OE1 3.49Å; H140-Q167 PolarHBondContact ND1-OE1 3.49Å; I165-Q167 PolarHBondContact O-N 3.39Å
168E70.7Confident64.7Low70 Ų7056 Ų5633%0.32729%0.292SS..PPolyproline II helixtrans-58.9138.1170.9-172.4177-178.500110.1M153 I170 Q195M153-E168 HydrophobicContact CB-CG 3.96Å; E168-I170 PolarHBondContact O-N 2.83Å; E168-Q195 WeakPolarHBondContact OE1-CB 3.47Å; E168-Q195 PolarHBondContact OE1-N 3.28Å
169L79.4Confident66.7Low8 Ų855.5 Ų55.54%0.04229%0.286CS..PPolyproline II helixtrans-60.7119.3175.3178.667.1000110.6A133 I137 F143 M153 Y171A133-L169 HydrophobicContact CB-CD1 4.3Å; A133-L169 HydrophobicContact CB-CD2 4.13Å; I137-L169 HydrophobicContact CD1-CB 4.43Å; I137-L169 HydrophobicContact CD1-CD1 4.43Å; I137-L169 HydrophobicContact CG1-CB 4.32Å; I137-L169 HydrophobicContact CG1-CD1 3.95Å; F143-L169 HydrophobicContact CB-CD1 3.89Å; F143-L169 HydrophobicContact CB-CG 4.47Å; F143-L169 HydrophobicContact CD1-CD1 4.44Å; F143-L169 HydrophobicContact CD1-CD2 4.03Å; M153-L169 HydrophobicContact CB-CB 4.27Å; M153-L169 HydrophobicContact CG-CB 4.33Å; L169-Y171 PolarHBondContact O-N 3.44Å
170I85.3Confident68.7Low63 Ų6357.3 Ų57.332%0.32329%0.288SS..  trans-74.689.9173.5-55.9173.1000108.4P142 F143 E168 V192P142-I170 CarbonylContact C-O 3.54Å; P142-I170 WeakPolarHBondContact CA-O 3.34Å; P142-I170 HydrophobicContact CB-CG2 4.15Å; P142-I170 HydrophobicContact CG-CG2 4.17Å; F143-I170 PolarHBondContact N-O 3.33Å; E168-I170 PolarHBondContact O-N 2.83Å; I170-V192 HydrophobicContact CG2-CG1 3.89Å; I170-V192 HydrophobicContact CG2-CG2 4.3Å
171Y87.7Confident70.4Confident19 Ų1952 Ų528%0.07528%0.276CS..EExtended strand (participates in β ladder)trans-95.4131-175.1177.3-120.4000112.4F143 A145 S147 M153 L169 P173 V192 F193F143-Y171 AromaticContact CD1-CD2 3.73Å; F143-Y171 HydrophobicContact CD1-CD2 3.73Å; F143-Y171 HydrophobicContact CD1-CE2 4.2Å; F143-Y171 HydrophobicContact CE1-CD2 4.25Å; F143-Y171 HydrophobicContact CE1-CE2 4.29Å; A145-Y171 HydrophobicContact CB-CE2 4.16Å; A145-Y171 PolarHBondContact O-OH 3.39Å; S147-Y171 WeakPolarHBondContact CA-OH 3.38Å; M153-Y171 HydrophobicContact CE-CD1 3.68Å; M153-Y171 HydrophobicContact CE-CG 3.75Å; L169-Y171 PolarHBondContact O-N 3.44Å; Y171-P173 HydrophobicContact CD1-CG 4.34Å; Y171-P173 HydrophobicContact CE1-CB 4.42Å; Y171-P173 HydrophobicContact CE1-CG 3.71Å; Y171-V192 CarbonylContact O-C 3.52Å; Y171-V192 WeakPolarHBondContact O-CA 3.18Å; Y171-F193 HydrophobicContact CD1-CB 3.76Å; Y171-F193 HydrophobicContact CD1-CD1 4.42Å; Y171-F193 HydrophobicContact CD1-CG 4.27Å; Y171-F193 PolarHBondContact O-N 2.91Å
172V89.9Confident71.8Confident0 Ų048.4 Ų48.40%026%0.255CS..EExtended strand (participates in β ladder)trans-123.9110.6177.6179.90000109.1P142 F143 I144 A145 I174 L177 V192P142-V172 HydrophobicContact CB-CG2 4.15Å; F143-V172 PolarHBondContact O-N 3.2Å; I144-V172 WeakPolarHBondContact CA-O 3.45Å; I144-V172 HydrophobicContact CG1-CB 4.11Å; I144-V172 HydrophobicContact CG1-CG1 4.41Å; A145-V172 PolarHBondContact N-O 2.86Å; V172-I174 PolarHBondContact O-N 2.74Å; V172-L177 HydrophobicContact CG1-CD2 3.56Å; V172-L177 HydrophobicContact CG1-CG 4.2Å; V172-V192 HydrophobicContact CG2-CG2 3.96Å
173P88.5Confident73Confident4 Ų453.5 Ų53.53%0.02628%0.277CS..EExtended strand (participates in β ladder)trans-64128.4174.2-18.230.3000111.1F21 A145 Y171 H175 L176 H191F21-P173 HydrophobicContact CE1-CG 3.8Å; A145-P173 CarbonylContact O-C 3.52Å; A145-P173 VanDerWaalsContact O-CA 3.27Å; A145-P173 WeakPolarHBondContact O-CA 3.28Å; Y171-P173 HydrophobicContact CD1-CG 4.34Å; Y171-P173 HydrophobicContact CE1-CB 4.42Å; Y171-P173 HydrophobicContact CE1-CG 3.71Å; P173-H175 VanDerWaalsContact CB-CE1 3.45Å; P173-H175 WeakPolarHBondContact CB-CE1 3.47Å; P173-H175 PolarHBondContact O-N 3.27Å; P173-L176 HydrophobicContact CB-CB 4.47Å; P173-L176 HydrophobicContact CB-CD1 4.14Å; P173-L176 HydrophobicContact CB-CG 4.12Å; P173-L176 HydrophobicContact CG-CD1 3.91Å; P173-L176 HydrophobicContact CG-CG 4.43Å; P173-L176 PolarHBondContact O-N 3.07Å; P173-H191 VanDerWaalsContact CD-O 3.28Å; P173-H191 WeakPolarHBondContact CD-O 3.45Å
174I89Confident74.4Confident3 Ų358.8 Ų58.82%0.01530%0.299CS..G310 helixtrans-59.2-33.3-176.2-161.5173.7000112.4F38 Y41 I144 A145 S146 V172 L176 L177F38-I174 HydrophobicContact CB-CD1 4.06Å; F38-I174 HydrophobicContact CD2-CD1 3.5Å; F38-I174 VanDerWaalsContact CD2-CD1 3.5Å; F38-I174 HydrophobicContact CD2-CG1 4.45Å; F38-I174 HydrophobicContact CE2-CD1 4.34Å; F38-I174 HydrophobicContact CG-CD1 4.15Å; Y41-I174 HydrophobicContact CD1-CD1 4.07Å; Y41-I174 HydrophobicContact CD1-CG1 4.21Å; Y41-I174 HydrophobicContact CD2-CG1 4.18Å; Y41-I174 HydrophobicContact CD2-CG2 4.04Å; Y41-I174 HydrophobicContact CG-CD1 3.81Å; Y41-I174 HydrophobicContact CG-CG1 3.92Å; Y41-I174 HydrophobicContact CG-CG2 4.26Å; I144-I174 HydrophobicContact CG2-CB 3.87Å; I144-I174 HydrophobicContact CG2-CD1 4.29Å; I144-I174 HydrophobicContact CG2-CG1 3.79Å; A145-I174 PolarHBondContact O-N 3.37Å; S146-I174 VanDerWaalsContact CA-CG2 3.48Å; V172-I174 PolarHBondContact O-N 2.74Å; I174-L176 PolarHBondContact O-N 2.89Å; I174-L177 HydrophobicContact CG1-CD1 4.11Å; I174-L177 WeakPolarHBondContact O-CB 3.21Å; I174-L177 PolarHBondContact O-N 3.48Å; I174-L177 VanDerWaalsContact O-N 3.15Å
175H85.1Confident76.2Confident68 Ų6857.2 Ų57.232%0.31529%0.29SS..G310 helixtrans-74.9-9-179.267.4-91.6000112.8S146 P173S146-H175 PolarHBondContact O-ND1 3.4Å; S146-H175 VanDerWaalsContact O-ND1 3.12Å; P173-H175 VanDerWaalsContact CB-CE1 3.45Å; P173-H175 WeakPolarHBondContact CB-CE1 3.47Å; P173-H175 PolarHBondContact O-N 3.27Å
176L87Confident78.4Confident46 Ų4656.4 Ų56.424%0.24129%0.293CS..G310 helixtrans-1048.2173.1-57.5-177.8000112.5F21 P173 I174 H191F21-L176 HydrophobicContact CD1-CD1 3.95Å; F21-L176 HydrophobicContact CE1-CD1 3.66Å; F21-L176 HydrophobicContact CZ-CD1 4.01Å; P173-L176 HydrophobicContact CB-CB 4.47Å; P173-L176 HydrophobicContact CB-CD1 4.14Å; P173-L176 HydrophobicContact CB-CG 4.12Å; P173-L176 HydrophobicContact CG-CD1 3.91Å; P173-L176 HydrophobicContact CG-CG 4.43Å; P173-L176 PolarHBondContact O-N 3.07Å; I174-L176 PolarHBondContact O-N 2.89Å; L176-H191 HydrophobicContact CB-CB 3.98Å; L176-H191 HydrophobicContact CD1-CB 3.86Å; L176-H191 PolarHBondContact O-ND1 3.49Å
177L89.4Confident80.4Confident11 Ų1155.1 Ų55.16%0.05829%0.287CS..  trans-81.5132167.6-66.7177.5000110L26 I144 V172 I174 F179 I188L26-L177 HydrophobicContact CD1-CD2 3.85Å; I144-L177 HydrophobicContact CD1-CD1 4.05Å; I144-L177 HydrophobicContact CG1-CD1 4.37Å; I144-L177 HydrophobicContact CG2-CD1 3.64Å; V172-L177 HydrophobicContact CG1-CD2 3.56Å; V172-L177 HydrophobicContact CG1-CG 4.2Å; I174-L177 HydrophobicContact CG1-CD1 4.11Å; I174-L177 WeakPolarHBondContact O-CB 3.21Å; I174-L177 PolarHBondContact O-N 3.48Å; I174-L177 VanDerWaalsContact O-N 3.15Å; L177-F179 HydrophobicContact CB-CD2 4.22Å; L177-F179 HydrophobicContact CB-CE2 3.69Å; L177-F179 HydrophobicContact CB-CZ 4.21Å; L177-F179 HydrophobicContact CD1-CE2 3.98Å; L177-F179 HydrophobicContact CD1-CZ 3.79Å; L177-I188 HydrophobicContact CB-CG2 4.5Å; L177-I188 HydrophobicContact CD2-CG2 4.14Å
178D88.1Confident82Confident42 Ų4250.4 Ų50.423%0.22527%0.265CS..BIsolated β-bridgetrans-111.2100.3174.4-173.8-11.4000110.2F180 S181 L189D178-F180 VanDerWaalsContact C-N 3.3Å; D178-F180 PolarHBondContact OD1-N 2.75Å; D178-S181 VanDerWaalsContact CG-OG 3.28Å; D178-S181 PolarHBondContact OD1-N 3.03Å; D178-S181 PolarHBondContact OD1-OG 3.48Å; D178-S181 WeakPolarHBondContact OD2-CB 3.05Å; D178-S181 PolarHBondContact OD2-OG 2.84Å; D178-L189 HydrophobicContact CB-CB 4.16Å; D178-L189 PolarHBondContact N-O 3.28Å
179F83.5Confident82.9Confident11 Ų1149.1 Ų49.15%0.04826%0.261CS..SBendtrans-80.9-6.2176.7-66.6-86.2000113.4F38 Y41 L67 V71 L177 I188F38-F179 HydrophobicContact CE2-CZ 4.14Å; Y41-F179 HydrophobicContact CE1-CD2 4.19Å; Y41-F179 AromaticContact CE1-CE2 3.79Å; Y41-F179 HydrophobicContact CE1-CE2 3.79Å; L67-F179 HydrophobicContact CD2-CB 3.84Å; L67-F179 HydrophobicContact CD2-CD1 4.09Å; L67-F179 HydrophobicContact CD2-CD2 4.1Å; L67-F179 HydrophobicContact CD2-CG 3.75Å; V71-F179 HydrophobicContact CG2-CE1 3.82Å; L177-F179 HydrophobicContact CB-CD2 4.22Å; L177-F179 HydrophobicContact CB-CE2 3.69Å; L177-F179 HydrophobicContact CB-CZ 4.21Å; L177-F179 HydrophobicContact CD1-CE2 3.98Å; L177-F179 HydrophobicContact CD1-CZ 3.79Å; F179-I188 HydrophobicContact CD1-CD1 3.83Å; F179-I188 HydrophobicContact CE1-CD1 3.79Å
180F79.6Confident83.5Confident104 Ų10448.8 Ų48.846%0.45626%0.259SS..SBendtrans-121.5-26.1-161.7-57.1-66.3000114.8V46 L67 D178 K183V46-F180 HydrophobicContact CG1-CZ 4.15Å; L67-F180 HydrophobicContact CD2-CE1 4.3Å; L67-F180 HydrophobicContact CD2-CZ 3.94Å; D178-F180 VanDerWaalsContact C-N 3.3Å; D178-F180 PolarHBondContact OD1-N 2.75Å; F180-K183 VanDerWaalsContact O-CG 3.31Å; F180-K183 WeakPolarHBondContact O-CG 3.32Å
181S73.8Confident83.7Confident87 Ų8748.3 Ų48.361%0.60826%0.255SS*.THydrogen-bonded Turntrans-74.2-31-176.1-66.10000113.6D178D178-S181 VanDerWaalsContact CG-OG 3.28Å; D178-S181 PolarHBondContact OD1-N 3.03Å; D178-S181 PolarHBondContact OD1-OG 3.48Å; D178-S181 WeakPolarHBondContact OD2-CB 3.05Å; D178-S181 PolarHBondContact OD2-OG 2.84Å
182C66.9Low83.8Confident27 Ų2748 Ų4818%0.18226%0.255CS..THydrogen-bonded Turntrans-106.141.1-171.4-65.10000113.6N184 D185 I187C182-N184 PolarHBondContact O-N 3.19Å; C182-D185 HydrophobicContact CB-CB 4.38Å; C182-D185 PolarHBondContact O-N 3.17Å; C182-I187 HydrophobicContact CB-CD1 4.2Å; C182-I187 HydrophobicContact CB-CG1 3.55Å; C182-I187 WeakPolarHBondContact CB-O 3.25Å
183K65.9Low83.6Confident151 Ų15148.6 Ų48.666%0.65726%0.258SS*.THydrogen-bonded Turntrans-51.5-28.9-172.8-63.6-170.9179.8179.40115F180F180-K183 VanDerWaalsContact O-CG 3.31Å; F180-K183 WeakPolarHBondContact O-CG 3.32Å
184N71.2Confident83.2Confident154 Ų15449.4 Ų49.482%0.82426%0.261SS*.THydrogen-bonded Turntrans-101.4-15.8-175.4-64.8-12.9000113.9C182C182-N184 PolarHBondContact O-N 3.19Å
185D74.1Confident82.6Confident111 Ų11149.9 Ų49.959%0.59426%0.263SS*.THydrogen-bonded Turntrans-95.91.9-165.6-70.3-27.5000113.5C182 I187C182-D185 HydrophobicContact CB-CB 4.38Å; C182-D185 PolarHBondContact O-N 3.17Å; D185-I187 HydrophobicContact CB-CD1 3.63Å; D185-I187 HydrophobicContact CB-CG1 3.63Å; D185-I187 WeakPolarHBondContact O-CG2 3.23Å; D185-I187 PolarHBondContact O-N 3.37Å
186A85.8Confident82.1Confident48 Ų4852.1 Ų52.140%0.39727%0.272SS..THydrogen-bonded Turntrans48.841.4-176.600000112.3M73 C74M73-A186 WeakPolarHBondContact O-CB 3.32Å; C74-A186 WeakPolarHBondContact CA-O 3.21Å
187I89.3Confident81.8Confident26 Ų2655.1 Ų55.113%0.13328%0.284CS..  trans-135.1146.4178.159.4-174.2000110L25 R27 C74 C182 D185L25-I187 HydrophobicContact CD1-CD1 4.42Å; L25-I187 HydrophobicContact CD2-CD1 4.27Å; R27-I187 HydrophobicContact CB-CG2 4.25Å; R27-I187 HydrophobicContact CG-CG2 4.49Å; C74-I187 VanDerWaalsContact SG-C 3.59Å; C74-I187 PolarHBondContact SG-N 3.48Å; C74-I187 VanDerWaalsContact SG-N 3.39Å; C182-I187 HydrophobicContact CB-CD1 4.2Å; C182-I187 HydrophobicContact CB-CG1 3.55Å; C182-I187 WeakPolarHBondContact CB-O 3.25Å; D185-I187 HydrophobicContact CB-CD1 3.63Å; D185-I187 HydrophobicContact CB-CG1 3.63Å; D185-I187 WeakPolarHBondContact O-CG2 3.23Å; D185-I187 PolarHBondContact O-N 3.37Å
188I90.7Very high81.2Confident5 Ų554.8 Ų54.83%0.02628%0.282CS..EExtended strand (participates in β ladder)trans-107.7118.6166.4-60.2-179.9000107.6L26 V71 C74 I76 L177 F179L26-I188 HydrophobicContact CB-CB 4.27Å; L26-I188 PolarHBondContact N-O 3.07Å; L26-I188 PolarHBondContact O-N 2.8Å; V71-I188 HydrophobicContact CG2-CD1 3.92Å; C74-I188 HydrophobicContact CB-CG1 4.44Å; I76-I188 HydrophobicContact CD1-CD1 3.8Å; I76-I188 HydrophobicContact CD1-CG1 4.2Å; L177-I188 HydrophobicContact CB-CG2 4.5Å; L177-I188 HydrophobicContact CD2-CG2 4.14Å; F179-I188 HydrophobicContact CD1-CD1 3.83Å; F179-I188 HydrophobicContact CE1-CD1 3.79Å
189L91.3Very high80.6Confident44 Ų4460 Ų6023%0.2330%0.298CS..EExtended strand (participates in β ladder)trans-70.5131.8173.2176.470.2000108.9V23 L25 D178V23-L189 HydrophobicContact CG1-CD1 3.51Å; L25-L189 HydrophobicContact CD2-CB 4.5Å; L25-L189 HydrophobicContact CD2-CD1 3.67Å; D178-L189 HydrophobicContact CB-CB 4.16Å; D178-L189 PolarHBondContact N-O 3.28Å
190S91.2Very high80.2Confident0 Ų059.9 Ų59.90%030%0.298CS..EExtended strand (participates in β ladder)trans-141.4163.9-175.371.10000111.6S24 L26S24-S190 WeakPolarHBondContact CB-OG 3.49Å; S24-S190 PolarHBondContact N-O 3.01Å; S24-S190 CarbonylContact O-C 3.38Å; S24-S190 WeakPolarHBondContact O-CA 3.41Å; S24-S190 PolarHBondContact O-N 3.43Å; S24-S190 PolarHBondContact O-OG 3.29Å; L26-S190 WeakPolarHBondContact CG-OG 3.48Å
191H90Very high80.2Confident53 Ų5357.9 Ų57.925%0.24530%0.297CS..EExtended strand (participates in β ladder)trans-127.3111.7178-63.881.3000109.1F21 E22 P173 L176F21-H191 HydrophobicContact CB-CB 4.2Å; F21-H191 HydrophobicContact CD1-CB 4.11Å; F21-H191 HydrophobicContact CG-CB 4.39Å; E22-H191 CarbonylContact O-C 3.58Å; E22-H191 WeakPolarHBondContact O-CA 3.23Å; P173-H191 VanDerWaalsContact CD-O 3.28Å; P173-H191 WeakPolarHBondContact CD-O 3.45Å; L176-H191 HydrophobicContact CB-CB 3.98Å; L176-H191 HydrophobicContact CD1-CB 3.86Å; L176-H191 PolarHBondContact O-ND1 3.49Å
192V89.3Confident80.6Confident13 Ų1356.7 Ų56.78%0.07929%0.288CS..EExtended strand (participates in β ladder)trans-84.6124.9179.8178.90000108.7F21 E22 I170 Y171 V172F21-V192 CarbonylContact C-O 3.57Å; F21-V192 WeakPolarHBondContact CA-O 3.32Å; E22-V192 PolarHBondContact N-O 2.77Å; E22-V192 PolarHBondContact O-N 3.18Å; I170-V192 HydrophobicContact CG2-CG1 3.89Å; I170-V192 HydrophobicContact CG2-CG2 4.3Å; Y171-V192 CarbonylContact O-C 3.52Å; Y171-V192 WeakPolarHBondContact O-CA 3.18Å; V172-V192 HydrophobicContact CG2-CG2 3.96Å
193F86Confident81.3Confident12 Ų1255.5 Ų55.55%0.05328%0.28CS..EExtended strand (participates in β ladder)trans-79.3134.1173.9179.2-92.2000110.7F14 N20 F21 M153 Y171 Q195 F200F14-F193 HydrophobicContact CB-CE2 3.9Å; F14-F193 HydrophobicContact CD1-CE2 4.29Å; F14-F193 HydrophobicContact CD1-CZ 4.43Å; F14-F193 HydrophobicContact CG-CE2 4.12Å; F14-F193 HydrophobicContact CG-CZ 4.41Å; N20-F193 HydrophobicContact CB-CD2 3.97Å; N20-F193 HydrophobicContact CB-CE2 3.78Å; F21-F193 HydrophobicContact CD1-CB 4.01Å; F21-F193 HydrophobicContact CD1-CD2 4.34Å; F21-F193 HydrophobicContact CE1-CB 3.76Å; F21-F193 AromaticContact CE1-CD2 3.73Å; F21-F193 HydrophobicContact CE1-CD2 3.73Å; F21-F193 HydrophobicContact CE1-CG 4.24Å; F21-F193 HydrophobicContact CE2-CD2 4.45Å; F21-F193 AromaticContact CZ-CD2 3.8Å; F21-F193 HydrophobicContact CZ-CD2 3.8Å; M153-F193 HydrophobicContact CE-CD1 3.35Å; M153-F193 HydrophobicContact CE-CE1 3.81Å; M153-F193 HydrophobicContact CE-CG 4.37Å; M153-F193 HydrophobicContact SD-CD1 3.68Å; M153-F193 HydrophobicContact SD-CE1 3.94Å; Y171-F193 HydrophobicContact CD1-CB 3.76Å; Y171-F193 HydrophobicContact CD1-CD1 4.42Å; Y171-F193 HydrophobicContact CD1-CG 4.27Å; Y171-F193 PolarHBondContact O-N 2.91Å; F193-Q195 HydrophobicContact CE1-CB 4.37Å; F193-F200 HydrophobicContact CE1-CD2 4.43Å; F193-F200 AromaticContact CZ-CD2 3.97Å; F193-F200 HydrophobicContact CZ-CD2 3.97Å; F193-F200 HydrophobicContact CZ-CE2 4.03Å
194H80.6Confident81.9Confident22 Ų2249.5 Ų49.510%0.10226%0.257CS..  trans-115.3119.3175.2-74.6-87.8000110.3N20 E22 K196 F197N20-H194 PolarHBondContact O-N 3.25Å; E22-H194 VanDerWaalsContact CB-NE2 3.35Å; E22-H194 WeakPolarHBondContact CB-NE2 3.44Å; E22-H194 IonicContact OE2-CD2 2.71Å; E22-H194 IonicContact OE2-CE1 2.78Å; E22-H194 PolarHBondContact OE2-CE1 3.29Å; E22-H194 IonicContact OE2-NE2 3.46Å; E22-H194 PolarHBondContact OE2-NE2 2.87Å; H194-K196 VanDerWaalsContact C-N 3.27Å; H194-K196 HydrophobicContact CB-CG 4.06Å; H194-K196 VanDerWaalsContact ND1-CE 3.3Å; H194-K196 WeakPolarHBondContact ND1-CE 3.19Å; H194-K196 PolarHBondContact O-N 3.39Å; H194-F197 HydrophobicContact CB-CB 4.46Å; H194-F197 HydrophobicContact CB-CD2 3.4Å; H194-F197 HydrophobicContact CB-CE2 3.83Å; H194-F197 HydrophobicContact CB-CG 4.09Å; H194-F197 AromaticContact CD2-CE2 3.93Å; H194-F197 AromaticContact CG-CD2 3.87Å; H194-F197 AromaticContact CG-CE2 3.8Å; H194-F197 PolarHBondContact O-N 3.22Å
195Q75.3Confident82.1Confident12 Ų1245.2 Ų45.26%0.05624%0.238CC..G310 helixtrans-61.7-39.1-179.9-172.4-171.78.900111.4Y152 M153 E168 F193 F197 S198 F200Y152-Q195 PolarHBondContact O-NE2 3.41Å; Y152-Q195 VanDerWaalsContact O-NE2 3.16Å; Y152-Q195 PolarHBondContact O-OE1 3.04Å; Y152-Q195 VanDerWaalsContact O-OE1 3.07Å; M153-Q195 HydrophobicContact CB-CB 4.45Å; M153-Q195 HydrophobicContact SD-CB 4.04Å; E168-Q195 WeakPolarHBondContact OE1-CB 3.47Å; E168-Q195 PolarHBondContact OE1-N 3.28Å; F193-Q195 HydrophobicContact CE1-CB 4.37Å; Q195-F197 PolarHBondContact O-N 3.49Å; Q195-S198 PolarHBondContact O-N 2.94Å; Q195-S198 PolarHBondContact O-OG 3.21Å; Q195-F200 HydrophobicContact CG-CB 3.63Å; Q195-F200 HydrophobicContact CG-CG 4.37Å
196K76.1Confident82Confident116 Ų11644 Ų4450%0.50423%0.228SC..G310 helixtrans-56.8-29.7179.858.8178.5173.1-174.10114.2H194H194-K196 VanDerWaalsContact C-N 3.27Å; H194-K196 HydrophobicContact CB-CG 4.06Å; H194-K196 VanDerWaalsContact ND1-CE 3.3Å; H194-K196 WeakPolarHBondContact ND1-CE 3.19Å; H194-K196 PolarHBondContact O-N 3.39Å
197F79Confident81.6Confident109 Ų10941.7 Ų41.748%0.47821%0.209SC..G310 helixtrans-89.3-13.2-179.4-58.1-35.8000112.8F19 N20 H194 Q195F19-F197 WeakPolarHBondContact O-CB 3.5Å; N20-F197 PolarHBondContact OD1-O 3.3Å; H194-F197 HydrophobicContact CB-CB 4.46Å; H194-F197 HydrophobicContact CB-CD2 3.4Å; H194-F197 HydrophobicContact CB-CE2 3.83Å; H194-F197 HydrophobicContact CB-CG 4.09Å; H194-F197 AromaticContact CD2-CE2 3.93Å; H194-F197 AromaticContact CG-CD2 3.87Å; H194-F197 AromaticContact CG-CE2 3.8Å; H194-F197 PolarHBondContact O-N 3.22Å; Q195-F197 PolarHBondContact O-N 3.49Å
198S78.4Confident81Confident3 Ų342.5 Ų42.52%0.02121%0.21CC..SBendtrans-90.6168.2179.478.70000112.5N20 Q195 F200 S201N20-S198 WeakPolarHBondContact OD1-CA 3.46Å; Q195-S198 PolarHBondContact O-N 2.94Å; Q195-S198 PolarHBondContact O-OG 3.21Å; S198-F200 PolarHBondContact O-N 3.06Å; S198-F200 VanDerWaalsContact O-N 3.1Å; S198-F200 WeakPolarHBondContact OG-CB 3.27Å; S198-F200 VanDerWaalsContact OG-CD2 3.22Å; S198-F200 WeakPolarHBondContact OG-CD2 3.46Å; S198-F200 PolarHBondContact OG-N 3.17Å; S198-S201 WeakPolarHBondContact O-CB 3.42Å; S198-S201 PolarHBondContact O-N 3.24Å; S198-S201 VanDerWaalsContact O-N 3.14Å; S198-S201 PolarHBondContact O-OG 3.38Å
199R75.3Confident80.3Confident152 Ų15243 Ų4357%0.57421%0.214SC*.G310 helixtrans-64.1-8.9171.9-67.6-168.9-177.8-170.64.1113.9S201 S202R199-S201 PolarHBondContact O-N 3.38Å; R199-S202 PolarHBondContact O-N 2.7Å; R199-S202 PolarHBondContact O-OG 3.45Å
200F75.6Confident79.7Confident8 Ų840.9 Ų40.94%0.03520%0.203CC..G310 helixtrans-62.7-28.5170.3-72.6-67.7000112.8F14 Y152 F193 Q195 S198 S202 V203 W247F14-F200 HydrophobicContact CD1-CE2 4.11Å; F14-F200 AromaticContact CD2-CE2 3.76Å; F14-F200 HydrophobicContact CD2-CE2 3.76Å; F14-F200 HydrophobicContact CD2-CZ 4.11Å; F14-F200 AromaticContact CE1-CD2 3.82Å; F14-F200 HydrophobicContact CE1-CD2 3.82Å; F14-F200 AromaticContact CE1-CE2 3.52Å; F14-F200 HydrophobicContact CE1-CE2 3.52Å; F14-F200 HydrophobicContact CE1-CZ 4.11Å; F14-F200 HydrophobicContact CE2-CD2 4.21Å; F14-F200 HydrophobicContact CE2-CE1 4.22Å; F14-F200 AromaticContact CE2-CE2 3.12Å; F14-F200 HydrophobicContact CE2-CE2 3.12Å; F14-F200 AromaticContact CE2-CZ 3.13Å; F14-F200 HydrophobicContact CE2-CZ 3.13Å; F14-F200 HydrophobicContact CG-CE2 4.25Å; F14-F200 AromaticContact CZ-CD2 3.68Å; F14-F200 HydrophobicContact CZ-CD2 3.68Å; F14-F200 AromaticContact CZ-CE1 3.91Å; F14-F200 HydrophobicContact CZ-CE1 3.91Å; F14-F200 AromaticContact CZ-CE2 2.99Å; F14-F200 HydrophobicContact CZ-CE2 2.99Å; F14-F200 HydrophobicContact CZ-CG 4.39Å; F14-F200 AromaticContact CZ-CZ 3.14Å; F14-F200 HydrophobicContact CZ-CZ 3.14Å; Y152-F200 AromaticContact CD1-CD1 3.47Å; Y152-F200 HydrophobicContact CD1-CD1 3.47Å; Y152-F200 VanDerWaalsContact CD1-CD1 3.47Å; Y152-F200 AromaticContact CD1-CE1 3.13Å; Y152-F200 HydrophobicContact CD1-CE1 3.13Å; Y152-F200 HydrophobicContact CD1-CE2 4.34Å; Y152-F200 HydrophobicContact CD1-CG 4.22Å; Y152-F200 AromaticContact CD1-CZ 3.62Å; Y152-F200 HydrophobicContact CD1-CZ 3.62Å; Y152-F200 HydrophobicContact CD2-CD1 4.47Å; Y152-F200 AromaticContact CE1-CD1 3.65Å; Y152-F200 HydrophobicContact CE1-CD1 3.65Å; Y152-F200 AromaticContact CE1-CE1 2.85Å; Y152-F200 HydrophobicContact CE1-CE1 2.85Å; Y152-F200 HydrophobicContact CE1-CE2 4.42Å; Y152-F200 AromaticContact CE1-CZ 3.34Å; Y152-F200 HydrophobicContact CE1-CZ 3.34Å; Y152-F200 HydrophobicContact CE2-CE1 4.25Å; Y152-F200 AromaticContact CG-CD1 3.96Å; Y152-F200 HydrophobicContact CG-CD1 3.96Å; Y152-F200 HydrophobicContact CG-CE1 4.03Å; Y152-F200 AromaticContact CZ-CE1 3.45Å; Y152-F200 VanDerWaalsContact CZ-CE1 3.45Å; F193-F200 HydrophobicContact CE1-CD2 4.43Å; F193-F200 AromaticContact CZ-CD2 3.97Å; F193-F200 HydrophobicContact CZ-CD2 3.97Å; F193-F200 HydrophobicContact CZ-CE2 4.03Å; Q195-F200 HydrophobicContact CG-CB 3.63Å; Q195-F200 HydrophobicContact CG-CG 4.37Å; S198-F200 PolarHBondContact O-N 3.06Å; S198-F200 VanDerWaalsContact O-N 3.1Å; S198-F200 WeakPolarHBondContact OG-CB 3.27Å; S198-F200 VanDerWaalsContact OG-CD2 3.22Å; S198-F200 WeakPolarHBondContact OG-CD2 3.46Å; S198-F200 PolarHBondContact OG-N 3.17Å; F200-S202 PolarHBondContact O-N 2.93Å; F200-V203 PolarHBondContact O-N 2.84Å; F200-V203 VanDerWaalsContact O-N 3.13Å; F200-W247 AromaticContact CD1-CH2 3.36Å; F200-W247 HydrophobicContact CD1-CH2 3.36Å; F200-W247 AromaticContact CD1-CZ2 3.58Å; F200-W247 HydrophobicContact CD1-CZ2 3.58Å; F200-W247 HydrophobicContact CD1-CZ3 4.48Å; F200-W247 AromaticContact CE1-CH2 2.9Å; F200-W247 HydrophobicContact CE1-CH2 2.9Å; F200-W247 AromaticContact CE1-CZ2 3.39Å; F200-W247 HydrophobicContact CE1-CZ2 3.39Å; F200-W247 AromaticContact CE1-CZ3 3.69Å; F200-W247 HydrophobicContact CE1-CZ3 3.69Å; F200-W247 HydrophobicContact CG-CH2 4.48Å; F200-W247 HydrophobicContact CG-CZ2 4.35Å; F200-W247 AromaticContact CZ-CH2 3.8Å; F200-W247 HydrophobicContact CZ-CH2 3.8Å; F200-W247 HydrophobicContact CZ-CZ2 4.06Å; F200-W247 HydrophobicContact CZ-CZ3 4.36Å
201S77.6Confident79.2Confident63 Ų6340.9 Ų40.944%0.44120%0.203SC..G310 helixtrans-58.2-27.1-179.859.10000113.4S198 R199 V203S198-S201 WeakPolarHBondContact O-CB 3.42Å; S198-S201 PolarHBondContact O-N 3.24Å; S198-S201 VanDerWaalsContact O-N 3.14Å; S198-S201 PolarHBondContact O-OG 3.38Å; R199-S201 PolarHBondContact O-N 3.38Å; S201-V203 VanDerWaalsContact C-N 3.32Å; S201-V203 PolarHBondContact O-N 3.33Å
202S82.4Confident78.5Confident61 Ų6138.3 Ų38.343%0.42719%0.191SC..G310 helixtrans-71.7-25.2179.666.50000113.3R199 F200 V255R199-S202 PolarHBondContact O-N 2.7Å; R199-S202 PolarHBondContact O-OG 3.45Å; F200-S202 PolarHBondContact O-N 2.93Å; S202-V255 WeakPolarHBondContact O-CG2 3.23Å
203V81.8Confident77.9Confident2 Ų237.7 Ų37.71%0.01219%0.187CC..SBendtrans-78.3125.2-179-178.50000109.4F200 S201 L207 R208 L211 V251 L254F200-V203 PolarHBondContact O-N 2.84Å; F200-V203 VanDerWaalsContact O-N 3.13Å; S201-V203 VanDerWaalsContact C-N 3.32Å; S201-V203 PolarHBondContact O-N 3.33Å; V203-L207 HydrophobicContact CG1-CB 4.16Å; V203-R208 HydrophobicContact CB-CG 4.45Å; V203-R208 HydrophobicContact CG1-CG 4.14Å; V203-R208 PolarHBondContact O-NE 3.39Å; V203-L211 HydrophobicContact CB-CD2 4.48Å; V203-L211 HydrophobicContact CG1-CD2 4.27Å; V203-L211 HydrophobicContact CG2-CD2 3.85Å; V203-V251 HydrophobicContact CG2-CB 4.41Å; V203-V251 HydrophobicContact CG2-CG1 3.91Å; V203-V251 HydrophobicContact CG2-CG2 4.16Å; V203-L254 HydrophobicContact CG1-CB 4.29Å; V203-L254 HydrophobicContact CG1-CD1 4.37Å
204P79Confident77.7Confident25 Ų2537.2 Ų37.216%0.16219%0.185CC..  trans-52.4135.8177.6-27.434.8000111.8H206 L207 R208P204-H206 VanDerWaalsContact C-N 3.27Å; P204-H206 PolarHBondContact O-N 3.05Å; P204-H206 VanDerWaalsContact O-N 3.12Å; P204-L207 HydrophobicContact CB-CD1 4.33Å; P204-L207 HydrophobicContact CB-CG 4.31Å; P204-L207 HydrophobicContact CG-CD1 4.13Å; P204-L207 PolarHBondContact O-N 3.16Å; P204-R208 PolarHBondContact O-N 3.26Å
205P74.8Confident77.5Confident65 Ų6536.3 Ų36.342%0.42218%0.181SC..G310 helixtrans-51.9-39.9-174.3-30.535.2000115.1A156 L207 R208A156-P205 WeakPolarHBondContact CB-O 3.29Å; P205-L207 VanDerWaalsContact C-N 3.26Å; P205-L207 PolarHBondContact O-N 3.28Å; P205-R208 WeakPolarHBondContact O-CB 3.33Å; P205-R208 PolarHBondContact O-N 3.41Å
206H72.2Confident77.2Confident84 Ų8436.7 Ų36.739%0.38919%0.186SC..G310 helixtrans-70.7-16179.768.3-86.4000114.3P204P204-H206 VanDerWaalsContact C-N 3.27Å; P204-H206 PolarHBondContact O-N 3.05Å; P204-H206 VanDerWaalsContact O-N 3.12Å
207L78Confident76.7Confident0 Ų031.6 Ų31.60%017%0.167CC..G310 helixtrans-97.9-9.6177.1-61.7-175.9000113.2V203 P204 P205 L210 L211 L254 Y262 L265V203-L207 HydrophobicContact CG1-CB 4.16Å; P204-L207 HydrophobicContact CB-CD1 4.33Å; P204-L207 HydrophobicContact CB-CG 4.31Å; P204-L207 HydrophobicContact CG-CD1 4.13Å; P204-L207 PolarHBondContact O-N 3.16Å; P205-L207 VanDerWaalsContact C-N 3.26Å; P205-L207 PolarHBondContact O-N 3.28Å; L207-L210 PolarHBondContact O-N 3.22Å; L207-L211 PolarHBondContact O-N 3.27Å; L207-L254 HydrophobicContact CD1-CB 4.36Å; L207-L254 HydrophobicContact CD1-CD2 4.49Å; L207-L254 VanDerWaalsContact CD1-O 3.22Å; L207-L254 WeakPolarHBondContact CD1-O 3.25Å; L207-Y262 HydrophobicContact CD2-CD2 4.45Å; L207-L265 HydrophobicContact CD1-CD1 4.43Å; L207-L265 HydrophobicContact CD2-CD1 3.46Å; L207-L265 VanDerWaalsContact CD2-CD1 3.46Å
208R77.4Confident76.4Confident43 Ų4328.9 Ų28.916%0.16215%0.153CC..Hα-helixtrans-57.8-43.3177.5-69.6177.7-170.7174.32.1112.8Y152 V203 P204 P205 L210 L211 S212Y152-R208 HydrophobicContact CD2-CB 3.85Å; Y152-R208 HydrophobicContact CD2-CG 4.35Å; Y152-R208 WeakPolarHBondContact CD2-O 3.26Å; Y152-R208 WeakPolarHBondContact CE2-O 3.39Å; Y152-R208 HydrophobicContact CG-CB 4.45Å; V203-R208 HydrophobicContact CB-CG 4.45Å; V203-R208 HydrophobicContact CG1-CG 4.14Å; V203-R208 PolarHBondContact O-NE 3.39Å; P204-R208 PolarHBondContact O-N 3.26Å; P205-R208 WeakPolarHBondContact O-CB 3.33Å; P205-R208 PolarHBondContact O-N 3.41Å; R208-L210 VanDerWaalsContact C-N 3.29Å; R208-L210 PolarHBondContact O-N 3.16Å; R208-L211 PolarHBondContact O-N 3.36Å; R208-L211 VanDerWaalsContact O-N 3.14Å; R208-S212 PolarHBondContact O-N 3.42Å; R208-S212 PolarHBondContact O-OG 3.22Å
209P74.3Confident76.3Confident15 Ų1531.6 Ų31.610%0.09717%0.172CC..Hα-helixtrans-57.9-39.2177.1-26.236000113.3A156 S212 V213A156-P209 HydrophobicContact CB-CG 3.83Å; P209-S212 VanDerWaalsContact O-CB 3.28Å; P209-S212 WeakPolarHBondContact O-CB 3.39Å; P209-S212 PolarHBondContact O-N 3.43Å; P209-S212 VanDerWaalsContact O-N 3.17Å; P209-V213 WeakPolarHBondContact O-CG2 3.47Å; P209-V213 PolarHBondContact O-N 3.42Å
210L79.1Confident76.5Confident0 Ų028.7 Ų28.70%017%0.165CC..Hα-helixtrans-63.7-45.3176.8172.958.6000111.6L207 R208 S212 V213 L214 W253 L254 Y262 L265 Y266 V269L207-L210 PolarHBondContact O-N 3.22Å; R208-L210 VanDerWaalsContact C-N 3.29Å; R208-L210 PolarHBondContact O-N 3.16Å; L210-S212 PolarHBondContact O-N 2.93Å; L210-V213 WeakPolarHBondContact O-CB 3.32Å; L210-V213 PolarHBondContact O-N 3.12Å; L210-L214 HydrophobicContact CD1-CD1 4.47Å; L210-L214 HydrophobicContact CD1-CG 4.42Å; L210-L214 HydrophobicContact CG-CD1 4.46Å; L210-L214 WeakPolarHBondContact O-CG 3.39Å; L210-L214 PolarHBondContact O-N 3.07Å; L210-W253 HydrophobicContact CD2-CH2 4.04Å; L210-W253 HydrophobicContact CD2-CZ3 4.27Å; L210-L254 HydrophobicContact CD2-CD2 3.74Å; L210-L254 HydrophobicContact CG-CD2 4.36Å; L210-Y262 HydrophobicContact CB-CE2 4.23Å; L210-L265 HydrophobicContact CD2-CB 3.47Å; L210-L265 VanDerWaalsContact CD2-CB 3.47Å; L210-L265 HydrophobicContact CD2-CD1 3.98Å; L210-L265 HydrophobicContact CD2-CG 4.33Å; L210-Y266 WeakPolarHBondContact CA-OH 3.25Å; L210-Y266 HydrophobicContact CB-CE2 3.92Å; L210-Y266 HydrophobicContact CD1-CD2 4.13Å; L210-Y266 HydrophobicContact CD1-CE1 4.08Å; L210-Y266 HydrophobicContact CD1-CE2 3.64Å; L210-Y266 HydrophobicContact CD2-CE2 4.4Å; L210-Y266 HydrophobicContact CG-CE2 4.18Å; L210-V269 HydrophobicContact CD1-CG2 4.13Å
211L80.7Confident76.9Confident0 Ų028.3 Ų28.30%016%0.164CC..Hα-helixtrans-60.8-37.1175.4-175.260.7000111Y152 V203 L207 R208 L214 Y215 W247 L250 V251 L254Y152-L211 HydrophobicContact CD2-CB 4.26Å; Y152-L211 HydrophobicContact CD2-CD2 4.32Å; Y152-L211 HydrophobicContact CD2-CG 4.41Å; Y152-L211 HydrophobicContact CE2-CB 3.45Å; Y152-L211 VanDerWaalsContact CE2-CB 3.45Å; Y152-L211 HydrophobicContact CE2-CD2 3.62Å; Y152-L211 HydrophobicContact CE2-CG 3.38Å; Y152-L211 WeakPolarHBondContact OH-CG 3.46Å; Y152-L211 PolarHBondContact OH-O 3.44Å; V203-L211 HydrophobicContact CB-CD2 4.48Å; V203-L211 HydrophobicContact CG1-CD2 4.27Å; V203-L211 HydrophobicContact CG2-CD2 3.85Å; L207-L211 PolarHBondContact O-N 3.27Å; R208-L211 PolarHBondContact O-N 3.36Å; R208-L211 VanDerWaalsContact O-N 3.14Å; L211-L214 PolarHBondContact O-N 2.83Å; L211-Y215 HydrophobicContact CD1-CD2 4.08Å; L211-Y215 HydrophobicContact CD1-CE2 3.96Å; L211-Y215 WeakPolarHBondContact O-CD2 3.34Å; L211-Y215 PolarHBondContact O-N 3.33Å; L211-W247 HydrophobicContact CD1-CH2 4.37Å; L211-W247 HydrophobicContact CD1-CZ3 3.98Å; L211-W247 HydrophobicContact CD2-CH2 3.5Å; L211-W247 HydrophobicContact CD2-CZ2 4.49Å; L211-W247 HydrophobicContact CD2-CZ3 3.93Å; L211-W247 HydrophobicContact CG-CH2 4.11Å; L211-W247 HydrophobicContact CG-CZ3 4.02Å; L211-L250 HydrophobicContact CD1-CB 3.91Å; L211-L250 HydrophobicContact CD1-CD1 4.29Å; L211-V251 HydrophobicContact CD2-CG2 4.22Å; L211-L254 HydrophobicContact CB-CD1 3.47Å; L211-L254 VanDerWaalsContact CB-CD1 3.47Å; L211-L254 HydrophobicContact CD1-CD1 3.8Å; L211-L254 HydrophobicContact CD2-CD1 4.12Å; L211-L254 HydrophobicContact CG-CD1 3.98Å
212S76.2Confident77.3Confident0 Ų025.8 Ų25.80%014%0.144CC..Hα-helixtrans-63.3-44.8174.9-67.60000111.4Y151 Y152 R208 P209 L210 L214 Y215 A216Y151-S212 VanDerWaalsContact C-OG 3.27Å; Y151-S212 WeakPolarHBondContact CA-OG 3.32Å; Y152-S212 WeakPolarHBondContact CD2-OG 3.41Å; Y152-S212 VanDerWaalsContact CE2-N 3.27Å; Y152-S212 WeakPolarHBondContact CE2-OG 3.14Å; R208-S212 PolarHBondContact O-N 3.42Å; R208-S212 PolarHBondContact O-OG 3.22Å; P209-S212 VanDerWaalsContact O-CB 3.28Å; P209-S212 WeakPolarHBondContact O-CB 3.39Å; P209-S212 PolarHBondContact O-N 3.43Å; P209-S212 VanDerWaalsContact O-N 3.17Å; L210-S212 PolarHBondContact O-N 2.93Å; S212-L214 VanDerWaalsContact C-N 3.28Å; S212-L214 PolarHBondContact O-N 3.49Å; S212-Y215 CarbonylContact O-C 3.55Å; S212-Y215 PolarHBondContact O-N 3.35Å; S212-A216 WeakPolarHBondContact O-CB 3.47Å; S212-A216 PolarHBondContact O-N 3.44Å
213V75.9Confident77.4Confident0 Ų024.7 Ų24.70%014%0.139CC..Hα-helixtrans-57.6-40.4174.4178.30000112.2P209 L210 Y215 A216 Y266 Y284 L285 C288 I289 F292P209-V213 WeakPolarHBondContact O-CG2 3.47Å; P209-V213 PolarHBondContact O-N 3.42Å; L210-V213 WeakPolarHBondContact O-CB 3.32Å; L210-V213 PolarHBondContact O-N 3.12Å; V213-Y215 PolarHBondContact O-N 2.97Å; V213-A216 PolarHBondContact O-N 3.49Å; V213-Y266 HydrophobicContact CG2-CE1 4.33Å; V213-Y266 WeakPolarHBondContact CG2-OH 3.32Å; V213-Y284 HydrophobicContact CG1-CE1 4.07Å; V213-Y284 PolarHBondContact O-OH 2.66Å; V213-L285 HydrophobicContact CG1-CD2 3.25Å; V213-L285 HydrophobicContact CG1-CG 4.44Å; V213-C288 HydrophobicContact CB-CB 4.3Å; V213-C288 HydrophobicContact CG1-CB 3.83Å; V213-C288 HydrophobicContact CG2-CB 3.86Å; V213-I289 HydrophobicContact CG2-CG1 4.04Å; V213-F292 HydrophobicContact CB-CE2 3.98Å; V213-F292 HydrophobicContact CG2-CD2 3.59Å; V213-F292 HydrophobicContact CG2-CE2 3.31Å
214L81.5Confident77.8Confident1 Ų126.8 Ų26.81%0.00515%0.15CC..Hα-helixtrans-68.3-22.4178.9-65.9173.2000112.9L210 L211 S212 V221 V225 L250 W253 V269L210-L214 HydrophobicContact CD1-CD1 4.47Å; L210-L214 HydrophobicContact CD1-CG 4.42Å; L210-L214 HydrophobicContact CG-CD1 4.46Å; L210-L214 WeakPolarHBondContact O-CG 3.39Å; L210-L214 PolarHBondContact O-N 3.07Å; L211-L214 PolarHBondContact O-N 2.83Å; S212-L214 VanDerWaalsContact C-N 3.28Å; S212-L214 PolarHBondContact O-N 3.49Å; L214-V221 HydrophobicContact CD2-CG1 4.01Å; L214-V225 HydrophobicContact CD2-CG2 4.12Å; L214-L250 HydrophobicContact CB-CD1 4.03Å; L214-L250 HydrophobicContact CD1-CD1 3.88Å; L214-L250 HydrophobicContact CD1-CD2 3.95Å; L214-L250 HydrophobicContact CD1-CG 4.48Å; L214-W253 HydrophobicContact CD1-CZ3 4Å; L214-V269 HydrophobicContact CD2-CG1 4.1Å; L214-V269 HydrophobicContact CD2-CG2 4.06Å
215Y77.7Confident78.3Confident3 Ų325.6 Ų25.61%0.01214%0.142CC..Hα-helixtrans-104.5-7.5177-82.1-84.1000114.6N8 L10 L211 S212 V213 G217 R222 W247 L250N8-Y215 HydrophobicContact CB-CD1 4.36Å; N8-Y215 PolarHBondContact ND2-O 3.38Å; L10-Y215 HydrophobicContact CD1-CD1 3.27Å; L10-Y215 HydrophobicContact CD1-CD2 4.34Å; L10-Y215 HydrophobicContact CD1-CE1 3.28Å; L10-Y215 HydrophobicContact CD1-CE2 4.34Å; L10-Y215 HydrophobicContact CD1-CG 3.84Å; L10-Y215 HydrophobicContact CG-CD1 4.34Å; L10-Y215 HydrophobicContact CG-CE1 4.05Å; L211-Y215 HydrophobicContact CD1-CD2 4.08Å; L211-Y215 HydrophobicContact CD1-CE2 3.96Å; L211-Y215 WeakPolarHBondContact O-CD2 3.34Å; L211-Y215 PolarHBondContact O-N 3.33Å; S212-Y215 CarbonylContact O-C 3.55Å; S212-Y215 PolarHBondContact O-N 3.35Å; V213-Y215 PolarHBondContact O-N 2.97Å; Y215-G217 VanDerWaalsContact C-N 3.32Å; Y215-G217 PolarHBondContact O-N 2.9Å; Y215-R222 VanDerWaalsContact CZ-CD 3.42Å; Y215-W247 HydrophobicContact CD2-CE3 4.21Å; Y215-W247 HydrophobicContact CD2-CZ3 4.03Å; Y215-W247 HydrophobicContact CE1-CE3 4.33Å; Y215-W247 AromaticContact CE2-CE3 3.51Å; Y215-W247 HydrophobicContact CE2-CE3 3.51Å; Y215-W247 AromaticContact CE2-CZ3 3.72Å; Y215-W247 HydrophobicContact CE2-CZ3 3.72Å; Y215-W247 AromaticContact CZ-CE3 3.59Å; Y215-W247 WeakPolarHBondContact OH-CA 3.46Å; Y215-W247 PolarHBondContact OH-N 3.49Å; Y215-L250 HydrophobicContact CD2-CD1 4.45Å; Y215-L250 HydrophobicContact CE2-CD1 3.66Å
216A68.1Low79Confident21 Ų2122.6 Ų22.617%0.17412%0.123CC..SBendtrans-69.2-15.9-17200000116.3S212 V213 F292S212-A216 WeakPolarHBondContact O-CB 3.47Å; S212-A216 PolarHBondContact O-N 3.44Å; V213-A216 PolarHBondContact O-N 3.49Å; A216-F292 HydrophobicContact CB-CE2 4.32Å; A216-F292 HydrophobicContact CB-CZ 3.6Å
217G65.3Low79.7Confident9 Ų925.9 Ų25.99%0.09314%0.136CC..SBendtrans167-27.5172.100000117.6G89 Y215 S219 Y284G89-G217 CarbonylContact O-C 3.45Å; Y215-G217 VanDerWaalsContact C-N 3.32Å; Y215-G217 PolarHBondContact O-N 2.9Å; G217-S219 PolarHBondContact O-N 2.93Å; G217-Y284 PolarHBondContact N-OH 3.2Å
218R72.7Confident80.2Confident51 Ų5130 Ų3019%0.19216%0.155CC..  trans-9391.6178.6-73-167.6176.7-177.55.5112.4E220 V221 R222 S280 Y284R218-E220 HydrophobicContact CB-CG 4.39Å; R218-E220 WeakPolarHBondContact CB-OE1 3.32Å; R218-E220 WeakPolarHBondContact CD-OE1 3.48Å; R218-E220 WeakPolarHBondContact CG-OE1 3.41Å; R218-E220 IonicContact NE-OE1 2.89Å; R218-E220 PolarHBondContact O-N 3.43Å; R218-V221 HydrophobicContact CB-CB 4.03Å; R218-V221 HydrophobicContact CB-CG2 3.59Å; R218-V221 HydrophobicContact CG-CG2 4.39Å; R218-V221 PolarHBondContact O-N 3.02Å; R218-R222 PolarHBondContact O-N 2.72Å; R218-S280 PolarHBondContact NH1-O 3.46Å; R218-S280 PolarHBondContact NH1-OG 2.75Å; R218-S280 VanDerWaalsContact NH1-OG 3.13Å; R218-Y284 HydrophobicContact CB-CE1 4.13Å; R218-Y284 HydrophobicContact CB-CE2 4.14Å; R218-Y284 HydrophobicContact CG-CD2 3.9Å; R218-Y284 HydrophobicContact CG-CE1 4.34Å; R218-Y284 HydrophobicContact CG-CE2 3.63Å; R218-Y284 HydrophobicContact CG-CG 4.34Å; R218-Y284 PolarHBondContact N-OH 3.42Å
219S76.3Confident80.8Confident60 Ų6030.5 Ų30.542%0.4216%0.161SC..Hα-helixtrans-56.8-30.5175.269.20000112.6G217 R222 A223G217-S219 PolarHBondContact O-N 2.93Å; S219-R222 PolarHBondContact O-N 3.07Å; S219-A223 VanDerWaalsContact O-CB 3.3Å; S219-A223 WeakPolarHBondContact O-CB 3.41Å; S219-A223 PolarHBondContact O-N 3.14Å
220E80.9Confident80.9Confident91 Ų9139 Ų3943%0.42520%0.197SC..Hα-helixtrans-65.5-36.9176.366.2-81.9-169.400112.9R218 A223 N224R218-E220 HydrophobicContact CB-CG 4.39Å; R218-E220 WeakPolarHBondContact CB-OE1 3.32Å; R218-E220 WeakPolarHBondContact CD-OE1 3.48Å; R218-E220 WeakPolarHBondContact CG-OE1 3.41Å; R218-E220 IonicContact NE-OE1 2.89Å; R218-E220 PolarHBondContact O-N 3.43Å; E220-A223 PolarHBondContact O-N 2.9Å; E220-N224 WeakPolarHBondContact O-CB 3.48Å; E220-N224 PolarHBondContact O-N 2.91Å; E220-N224 PolarHBondContact O-ND2 3.43Å
221V84Confident80.4Confident1 Ų141.6 Ų41.61%0.00621%0.207CC..Hα-helixtrans-64.6-46.9177.4173.60000109.2L214 R218 N224 V225 V269 V281 Y284L214-V221 HydrophobicContact CD2-CG1 4.01Å; R218-V221 HydrophobicContact CB-CB 4.03Å; R218-V221 HydrophobicContact CB-CG2 3.59Å; R218-V221 HydrophobicContact CG-CG2 4.39Å; R218-V221 PolarHBondContact O-N 3.02Å; V221-N224 PolarHBondContact O-N 3.18Å; V221-V225 VanDerWaalsContact O-CG2 3.27Å; V221-V225 WeakPolarHBondContact O-CG2 3.42Å; V221-V225 PolarHBondContact O-N 3.07Å; V221-V225 VanDerWaalsContact O-N 3.15Å; V221-V269 HydrophobicContact CG1-CG1 3.6Å; V221-V281 HydrophobicContact CG2-CG1 4.38Å; V221-V281 HydrophobicContact CG2-CG2 4.4Å; V221-Y284 HydrophobicContact CG2-CD1 4.27Å; V221-Y284 HydrophobicContact CG2-CE1 4.3Å
222R84.8Confident79.3Confident9 Ų943.3 Ų43.33%0.03422%0.219CC..Hα-helixtrans-60.9-47.9175.1177.5169.976.6-135.1-1.1112.4N8 Y215 R218 S219 N224 V225 C226 C243 E246 L250N8-R222 PolarHBondContact OD1-NH1 3.49Å; Y215-R222 VanDerWaalsContact CZ-CD 3.42Å; R218-R222 PolarHBondContact O-N 2.72Å; S219-R222 PolarHBondContact O-N 3.07Å; R222-N224 VanDerWaalsContact C-N 3.33Å; R222-N224 PolarHBondContact O-N 3.34Å; R222-V225 PolarHBondContact O-N 3.23Å; R222-C226 PolarHBondContact O-N 2.99Å; R222-C226 PolarHBondContact O-SG 3.12Å; R222-C243 PolarHBondContact NH2-SG 3.39Å; R222-C243 VanDerWaalsContact NH2-SG 3.38Å; R222-E246 HydrophobicContact CG-CB 4.33Å; R222-E246 IonicContact CZ-OE2 3.33Å; R222-E246 IonicContact NE-OE2 2.65Å; R222-E246 PolarHBondContact NE-OE2 3.21Å; R222-E246 IonicContact NH2-OE2 2.87Å; R222-E246 PolarHBondContact NH2-OE2 3.09Å; R222-E246 VanDerWaalsContact NH2-OE2 3.13Å; R222-L250 HydrophobicContact CG-CD1 3.71Å
223A85Confident78.3Confident38 Ų3851 Ų5131%0.31425%0.252SS..Hα-helixtrans-62-40.6-178.400000111.9S219 E220 C226 K227S219-A223 VanDerWaalsContact O-CB 3.3Å; S219-A223 WeakPolarHBondContact O-CB 3.41Å; S219-A223 PolarHBondContact O-N 3.14Å; E220-A223 PolarHBondContact O-N 2.9Å; A223-C226 PolarHBondContact O-N 2.9Å; A223-K227 WeakPolarHBondContact O-CB 3.31Å; A223-K227 PolarHBondContact O-N 2.75Å
224N89Confident77.2Confident46 Ų4656.4 Ų56.425%0.24629%0.285CS..Hα-helixtrans-67.1-40.9177.4-77-28.7000112.5E220 V221 R222 K227 Q228 A272 H273E220-N224 WeakPolarHBondContact O-CB 3.48Å; E220-N224 PolarHBondContact O-N 2.91Å; E220-N224 PolarHBondContact O-ND2 3.43Å; V221-N224 PolarHBondContact O-N 3.18Å; R222-N224 VanDerWaalsContact C-N 3.33Å; R222-N224 PolarHBondContact O-N 3.34Å; N224-K227 PolarHBondContact O-N 3.28Å; N224-Q228 PolarHBondContact O-N 3.01Å; N224-A272 HydrophobicContact CB-CB 4.19Å; N224-H273 PolarHBondContact ND2-CD2 3.01Å; N224-H273 PolarHBondContact ND2-NE2 2.86Å
225V90.4Very high75.8Confident0 Ų061.6 Ų61.60%031%0.313CS..Hα-helixtrans-60.4-49.3173.4172.90000110.3L214 V221 R222 K227 Q228 L229 L250 W253 F268 V269 A272L214-V225 HydrophobicContact CD2-CG2 4.12Å; V221-V225 VanDerWaalsContact O-CG2 3.27Å; V221-V225 WeakPolarHBondContact O-CG2 3.42Å; V221-V225 PolarHBondContact O-N 3.07Å; V221-V225 VanDerWaalsContact O-N 3.15Å; R222-V225 PolarHBondContact O-N 3.23Å; V225-K227 VanDerWaalsContact C-N 3.3Å; V225-K227 PolarHBondContact O-N 3.37Å; V225-Q228 PolarHBondContact O-N 3.3Å; V225-Q228 VanDerWaalsContact O-N 3.15Å; V225-L229 HydrophobicContact CG1-CD1 4.23Å; V225-L229 WeakPolarHBondContact O-CG 3.32Å; V225-L229 PolarHBondContact O-N 3.24Å; V225-L250 HydrophobicContact CB-CD2 4.48Å; V225-L250 HydrophobicContact CG1-CD2 3.68Å; V225-W253 HydrophobicContact CG1-CZ3 4.25Å; V225-F268 HydrophobicContact CG1-CE1 4.13Å; V225-V269 HydrophobicContact CG2-CB 4.12Å; V225-V269 HydrophobicContact CG2-CG1 3.84Å; V225-V269 HydrophobicContact CG2-CG2 3.87Å; V225-A272 HydrophobicContact CG2-CB 3.99Å
226C89.2Confident74.3Confident2 Ų268.4 Ų68.41%0.01434%0.34CS..Hα-helixtrans-58.5-43.2177.5-65.30000111.5R222 A223 Q228 L229 Y231 V249R222-C226 PolarHBondContact O-N 2.99Å; R222-C226 PolarHBondContact O-SG 3.12Å; A223-C226 PolarHBondContact O-N 2.9Å; C226-Q228 PolarHBondContact O-N 2.88Å; C226-L229 WeakPolarHBondContact O-CB 3.47Å; C226-L229 PolarHBondContact O-N 2.91Å; C226-Y231 HydrophobicContact CB-CD1 4.33Å; C226-Y231 VanDerWaalsContact O-CB 3.24Å; C226-Y231 WeakPolarHBondContact O-CB 3.42Å; C226-Y231 PolarHBondContact O-N 3.3Å; C226-V249 HydrophobicContact CB-CG1 4.47Å
227K87.3Confident73.3Confident154 Ų15472.8 Ų72.867%0.6737%0.369SS*.Hα-helixtrans-61.3-41.2176.4-174.1179.7179-178.90112.6A223 N224 V225 L229 K230A223-K227 WeakPolarHBondContact O-CB 3.31Å; A223-K227 PolarHBondContact O-N 2.75Å; N224-K227 PolarHBondContact O-N 3.28Å; V225-K227 VanDerWaalsContact C-N 3.3Å; V225-K227 PolarHBondContact O-N 3.37Å; K227-L229 VanDerWaalsContact C-N 3.31Å; K227-L229 PolarHBondContact O-N 2.81Å; K227-K230 WeakPolarHBondContact O-CA 3.4Å; K227-K230 PolarHBondContact O-N 3.12Å
228Q88.7Confident72.5Confident86 Ų8679.5 Ų79.540%0.40240%0.403SS..Hα-helixtrans-68.4-29.3176.7-79.9-143.5-15.200113.7N224 V225 C226 K230 F268 Q271 A272N224-Q228 PolarHBondContact O-N 3.01Å; V225-Q228 PolarHBondContact O-N 3.3Å; V225-Q228 VanDerWaalsContact O-N 3.15Å; C226-Q228 PolarHBondContact O-N 2.88Å; Q228-K230 PolarHBondContact O-N 2.85Å; Q228-F268 HydrophobicContact CB-CZ 4.13Å; Q228-Q271 PolarHBondContact NE2-O 3.04Å; Q228-A272 HydrophobicContact CG-CB 4.09Å; Q228-A272 VanDerWaalsContact NE2-CA 3.3Å
229L88.7Confident71.2Confident53 Ų5382.6 Ų82.628%0.27742%0.423SS..THydrogen-bonded Turntrans-68.810.4169.2-63.5170.4000112.9V225 C226 K227 Y231 V249 L250 W253 F268V225-L229 HydrophobicContact CG1-CD1 4.23Å; V225-L229 WeakPolarHBondContact O-CG 3.32Å; V225-L229 PolarHBondContact O-N 3.24Å; C226-L229 WeakPolarHBondContact O-CB 3.47Å; C226-L229 PolarHBondContact O-N 2.91Å; K227-L229 VanDerWaalsContact C-N 3.31Å; K227-L229 PolarHBondContact O-N 2.81Å; L229-Y231 VanDerWaalsContact C-N 3.25Å; L229-Y231 PolarHBondContact O-N 3.14Å; L229-V249 HydrophobicContact CB-CG1 4.38Å; L229-V249 HydrophobicContact CD1-CG1 3.78Å; L229-L250 HydrophobicContact CD1-CD2 4.46Å; L229-W253 HydrophobicContact CD1-CB 3.8Å; L229-W253 HydrophobicContact CD1-CD2 4.11Å; L229-W253 HydrophobicContact CD1-CG 3.78Å; L229-W253 HydrophobicContact CD2-CB 4.47Å; L229-W253 HydrophobicContact CD2-CD2 4.43Å; L229-W253 HydrophobicContact CD2-CG 3.91Å; L229-F268 HydrophobicContact CD2-CE1 3.99Å; L229-F268 HydrophobicContact CD2-CZ 3.75Å; L229-F268 HydrophobicContact CG-CE1 4.24Å; L229-F268 HydrophobicContact CG-CZ 4.24Å
230K77.4Confident70.1Confident194 Ų19483.9 Ų83.984%0.84343%0.429SS*.THydrogen-bonded Turntrans58.833.7179.8-59.4-179-179.8177.20113.2K227 Q228K227-K230 WeakPolarHBondContact O-CA 3.4Å; K227-K230 PolarHBondContact O-N 3.12Å; Q228-K230 PolarHBondContact O-N 2.85Å
231Y68.4Low69.4Low54 Ų5481.4 Ų81.421%0.21242%0.422CS..  trans-74.3134.1173.2169.4-115.8000111.8C226 L229 K233 H245 V249C226-Y231 HydrophobicContact CB-CD1 4.33Å; C226-Y231 VanDerWaalsContact O-CB 3.24Å; C226-Y231 WeakPolarHBondContact O-CB 3.42Å; C226-Y231 PolarHBondContact O-N 3.3Å; L229-Y231 VanDerWaalsContact C-N 3.25Å; L229-Y231 PolarHBondContact O-N 3.14Å; Y231-K233 HydrophobicContact CE1-CG 4.14Å; Y231-H245 AromaticContact CD2-CD2 3.8Å; Y231-H245 AromaticContact CD2-NE2 3.69Å; Y231-H245 AromaticContact CE2-CD2 2.98Å; Y231-H245 WeakPolarHBondContact CE2-CD2 3.34Å; Y231-H245 AromaticContact CE2-CG 3.98Å; Y231-H245 AromaticContact CE2-NE2 3.02Å; Y231-H245 WeakPolarHBondContact CE2-NE2 3.46Å; Y231-H245 AromaticContact CZ-CD2 3.12Å; Y231-H245 AromaticContact CZ-CG 3.85Å; Y231-H245 AromaticContact CZ-NE2 3.7Å; Y231-H245 PolarHBondContact OH-CD2 3.06Å; Y231-H245 VanDerWaalsContact OH-CG 3.31Å; Y231-V249 HydrophobicContact CD2-CG2 4.02Å; Y231-V249 HydrophobicContact CG-CG2 4.22Å
232S57.9Low68.8Low36 Ų3685.5 Ų85.525%0.25245%0.448SS..  trans-109.4132.8170.3970000110.5T234 D235S232-T234 PolarHBondContact O-N 3.28Å; S232-T234 VanDerWaalsContact O-N 3.08Å; S232-T234 PolarHBondContact OG-N 3.45Å; S232-T234 PolarHBondContact OG-OG1 3.27Å; S232-D235 PolarHBondContact OG-OD1 2.84Å; S232-D235 PolarHBondContact OG-OD2 3.23Å
233K55.7Low68.2Low162 Ų16285.4 Ų85.470%0.70445%0.449SS*.THydrogen-bonded Turntrans-62.3-13.9174.1-73.9-175.1177.7-1790113.1Y231Y231-K233 HydrophobicContact CE1-CG 4.14Å
234T53.1Low67.8Low113 Ų11384 Ų8469%0.69344%0.436SS*.THydrogen-bonded Turntrans-83.7-18-173.436.30000114.4S232 Y236S232-T234 PolarHBondContact O-N 3.28Å; S232-T234 VanDerWaalsContact O-N 3.08Å; S232-T234 PolarHBondContact OG-N 3.45Å; S232-T234 PolarHBondContact OG-OG1 3.27Å; T234-Y236 VanDerWaalsContact C-N 3.25Å; T234-Y236 PolarHBondContact O-N 2.52Å
235D50.7Low67.2Low111 Ų11183.5 Ų83.559%0.59443%0.432SS*.SBendtrans-73.2-10.9-170-67.8-40.6000114.7S232S232-D235 PolarHBondContact OG-OD1 2.84Å; S232-D235 PolarHBondContact OG-OD2 3.23Å
236Y46.3Very low66.8Low145 Ų14584.6 Ų84.657%0.56944%0.437SS*.  trans-139.783.1177.4-74.6-94.4000110.8T234 N238 H245T234-Y236 VanDerWaalsContact C-N 3.25Å; T234-Y236 PolarHBondContact O-N 2.52Å; Y236-N238 PolarHBondContact O-N 2.99Å; Y236-H245 AromaticContact CD2-CE1 3.49Å; Y236-H245 VanDerWaalsContact CD2-CE1 3.49Å; Y236-H245 WeakPolarHBondContact CD2-CE1 3.36Å; Y236-H245 AromaticContact CE2-CE1 3.95Å
237S48.2Very low66.5Low113 Ų11384.5 Ų84.579%0.7944%0.437SS*.THydrogen-bonded Turntrans-69.2-11.1178.963.30000114.6
238N48.2Very low66.3Low151 Ų15180 Ų8081%0.80742%0.417SS*.THydrogen-bonded Turntrans-114.91.2-169.7-71.74.4000114.8Y236Y236-N238 PolarHBondContact O-N 2.99Å
239D45Very low66.3Low116 Ų11677.1 Ų77.162%0.6241%0.405SS*.SBendtrans-111.2143.5-172.6-97.1-33.1000115.7S241D239-S241 PolarHBondContact O-N 3.18Å
240T53.8Low66.3Low87 Ų8774.6 Ų74.653%0.53439%0.392SS..SBendtrans-55117.9-173.1450000115.1
241S66Low66.8Low39 Ų3965.7 Ų65.727%0.27335%0.354SS..  trans58.4129.7166.5800000118D239 C243 L244D239-S241 PolarHBondContact O-N 3.18Å; S241-C243 PolarHBondContact O-N 3.19Å; S241-C243 VanDerWaalsContact O-N 3.09Å; S241-L244 PolarHBondContact O-N 2.89Å; S241-L244 WeakPolarHBondContact OG-CD1 3.38Å; S241-L244 WeakPolarHBondContact OG-CG 3.4Å
242P71Confident67.8Low86 Ų8667.7 Ų67.756%0.55837%0.368SS*.Hα-helixtrans-52.8-36179.9-29.134.9000115.4L244 H245 E246P242-L244 PolarHBondContact O-N 3.45Å; P242-H245 PolarHBondContact O-N 3.41Å; P242-E246 PolarHBondContact O-N 3.45Å; P242-E246 VanDerWaalsContact O-N 3.15Å
243C73.2Confident69.4Low8 Ų867.5 Ų67.55%0.05436%0.362CS..Hα-helixtrans-70.7-31.6-176-1650000113.5N8 N9 R222 S241 H245 E246 W247N8-C243 VanDerWaalsContact C-SG 3.53Å; N8-C243 PolarHBondContact O-SG 3.46Å; N9-C243 HydrophobicContact CB-CB 4.01Å; R222-C243 PolarHBondContact NH2-SG 3.39Å; R222-C243 VanDerWaalsContact NH2-SG 3.38Å; S241-C243 PolarHBondContact O-N 3.19Å; S241-C243 VanDerWaalsContact O-N 3.09Å; C243-H245 VanDerWaalsContact C-N 3.25Å; C243-H245 PolarHBondContact O-N 2.73Å; C243-E246 PolarHBondContact O-N 3.44Å; C243-W247 PolarHBondContact O-N 3.16Å
244L75Confident71Confident8 Ų859.8 Ų59.84%0.04233%0.329CS..Hα-helixtrans-71-27.2174.7-64.5-179.5000112.3L10 F13 S241 P242 W247 F248L10-L244 HydrophobicContact CD2-CD2 4.29Å; F13-L244 HydrophobicContact CB-CD1 4.03Å; F13-L244 HydrophobicContact CB-CD2 3.21Å; F13-L244 HydrophobicContact CB-CG 4.22Å; F13-L244 HydrophobicContact CD1-CD2 3.98Å; F13-L244 HydrophobicContact CD2-CD1 3.69Å; F13-L244 HydrophobicContact CD2-CD2 3.64Å; F13-L244 HydrophobicContact CD2-CG 4.21Å; F13-L244 HydrophobicContact CE2-CD2 4.46Å; F13-L244 HydrophobicContact CG-CD1 4.18Å; F13-L244 HydrophobicContact CG-CD2 3.35Å; F13-L244 HydrophobicContact CG-CG 4.36Å; S241-L244 PolarHBondContact O-N 2.89Å; S241-L244 WeakPolarHBondContact OG-CD1 3.38Å; S241-L244 WeakPolarHBondContact OG-CG 3.4Å; P242-L244 PolarHBondContact O-N 3.45Å; L244-W247 WeakPolarHBondContact O-CB 3.4Å; L244-W247 PolarHBondContact O-N 3.26Å; L244-F248 WeakPolarHBondContact O-CD2 3.24Å; L244-F248 WeakPolarHBondContact O-CE2 3.39Å; L244-F248 PolarHBondContact O-N 3.23Å
245H76.3Confident72.7Confident35 Ų3556.9 Ų56.916%0.16231%0.31CS..Hα-helixtrans-73.2-44.6173.6-158.590000111.5Y231 Y236 P242 C243 W247 F248 V249Y231-H245 AromaticContact CD2-CD2 3.8Å; Y231-H245 AromaticContact CD2-NE2 3.69Å; Y231-H245 AromaticContact CE2-CD2 2.98Å; Y231-H245 WeakPolarHBondContact CE2-CD2 3.34Å; Y231-H245 AromaticContact CE2-CG 3.98Å; Y231-H245 AromaticContact CE2-NE2 3.02Å; Y231-H245 WeakPolarHBondContact CE2-NE2 3.46Å; Y231-H245 AromaticContact CZ-CD2 3.12Å; Y231-H245 AromaticContact CZ-CG 3.85Å; Y231-H245 AromaticContact CZ-NE2 3.7Å; Y231-H245 PolarHBondContact OH-CD2 3.06Å; Y231-H245 VanDerWaalsContact OH-CG 3.31Å; Y236-H245 AromaticContact CD2-CE1 3.49Å; Y236-H245 VanDerWaalsContact CD2-CE1 3.49Å; Y236-H245 WeakPolarHBondContact CD2-CE1 3.36Å; Y236-H245 AromaticContact CE2-CE1 3.95Å; P242-H245 PolarHBondContact O-N 3.41Å; C243-H245 VanDerWaalsContact C-N 3.25Å; C243-H245 PolarHBondContact O-N 2.73Å; H245-W247 PolarHBondContact O-N 2.96Å; H245-F248 PolarHBondContact O-N 3.45Å; H245-F248 VanDerWaalsContact O-N 3.1Å; H245-V249 WeakPolarHBondContact O-CG2 3.47Å; H245-V249 PolarHBondContact O-N 2.99Å
246E83.2Confident74.5Confident24 Ų2458 Ų5811%0.11232%0.316CS..Hα-helixtrans-54.5-36.6171.8-68.2174.8167.900111.5R222 P242 C243 V249 L250R222-E246 HydrophobicContact CG-CB 4.33Å; R222-E246 IonicContact CZ-OE2 3.33Å; R222-E246 IonicContact NE-OE2 2.65Å; R222-E246 PolarHBondContact NE-OE2 3.21Å; R222-E246 IonicContact NH2-OE2 2.87Å; R222-E246 PolarHBondContact NH2-OE2 3.09Å; R222-E246 VanDerWaalsContact NH2-OE2 3.13Å; P242-E246 PolarHBondContact O-N 3.45Å; P242-E246 VanDerWaalsContact O-N 3.15Å; C243-E246 PolarHBondContact O-N 3.44Å; E246-V249 PolarHBondContact O-N 3.03Å; E246-L250 WeakPolarHBondContact O-CB 3.27Å; E246-L250 WeakPolarHBondContact O-CG 3.4Å; E246-L250 PolarHBondContact O-N 3.4Å
247W82.6Confident76.5Confident0 Ų051.6 Ų51.60%029%0.293CS..Hα-helixtrans-57-53.5173.1178.9-103000112.7L10 F14 F200 L211 Y215 C243 L244 H245 V249 L250 V251L10-W247 HydrophobicContact CD1-CD2 4.37Å; L10-W247 HydrophobicContact CD1-CE3 3.55Å; L10-W247 HydrophobicContact CD1-CZ3 3.93Å; L10-W247 HydrophobicContact CD2-CB 3.91Å; L10-W247 HydrophobicContact CD2-CD2 3.43Å; L10-W247 VanDerWaalsContact CD2-CD2 3.43Å; L10-W247 HydrophobicContact CD2-CE3 3.47Å; L10-W247 VanDerWaalsContact CD2-CE3 3.47Å; L10-W247 HydrophobicContact CD2-CG 3.6Å; L10-W247 HydrophobicContact CD2-CZ3 4.37Å; L10-W247 HydrophobicContact CG-CE3 4.17Å; F14-W247 AromaticContact CZ-CE2 3.92Å; F14-W247 AromaticContact CZ-CZ2 3.86Å; F14-W247 HydrophobicContact CZ-CZ2 3.86Å; F200-W247 AromaticContact CD1-CH2 3.36Å; F200-W247 HydrophobicContact CD1-CH2 3.36Å; F200-W247 AromaticContact CD1-CZ2 3.58Å; F200-W247 HydrophobicContact CD1-CZ2 3.58Å; F200-W247 HydrophobicContact CD1-CZ3 4.48Å; F200-W247 AromaticContact CE1-CH2 2.9Å; F200-W247 HydrophobicContact CE1-CH2 2.9Å; F200-W247 AromaticContact CE1-CZ2 3.39Å; F200-W247 HydrophobicContact CE1-CZ2 3.39Å; F200-W247 AromaticContact CE1-CZ3 3.69Å; F200-W247 HydrophobicContact CE1-CZ3 3.69Å; F200-W247 HydrophobicContact CG-CH2 4.48Å; F200-W247 HydrophobicContact CG-CZ2 4.35Å; F200-W247 AromaticContact CZ-CH2 3.8Å; F200-W247 HydrophobicContact CZ-CH2 3.8Å; F200-W247 HydrophobicContact CZ-CZ2 4.06Å; F200-W247 HydrophobicContact CZ-CZ3 4.36Å; L211-W247 HydrophobicContact CD1-CH2 4.37Å; L211-W247 HydrophobicContact CD1-CZ3 3.98Å; L211-W247 HydrophobicContact CD2-CH2 3.5Å; L211-W247 HydrophobicContact CD2-CZ2 4.49Å; L211-W247 HydrophobicContact CD2-CZ3 3.93Å; L211-W247 HydrophobicContact CG-CH2 4.11Å; L211-W247 HydrophobicContact CG-CZ3 4.02Å; Y215-W247 HydrophobicContact CD2-CE3 4.21Å; Y215-W247 HydrophobicContact CD2-CZ3 4.03Å; Y215-W247 HydrophobicContact CE1-CE3 4.33Å; Y215-W247 AromaticContact CE2-CE3 3.51Å; Y215-W247 HydrophobicContact CE2-CE3 3.51Å; Y215-W247 AromaticContact CE2-CZ3 3.72Å; Y215-W247 HydrophobicContact CE2-CZ3 3.72Å; Y215-W247 AromaticContact CZ-CE3 3.59Å; Y215-W247 WeakPolarHBondContact OH-CA 3.46Å; Y215-W247 PolarHBondContact OH-N 3.49Å; C243-W247 PolarHBondContact O-N 3.16Å; L244-W247 WeakPolarHBondContact O-CB 3.4Å; L244-W247 PolarHBondContact O-N 3.26Å; H245-W247 PolarHBondContact O-N 2.96Å; W247-V249 VanDerWaalsContact C-N 3.35Å; W247-V249 PolarHBondContact O-N 3.41Å; W247-L250 PolarHBondContact O-N 2.88Å; W247-V251 HydrophobicContact CD2-CG2 4Å; W247-V251 VanDerWaalsContact CE2-CG2 3.47Å; W247-V251 HydrophobicContact CE3-CG2 4.44Å; W247-V251 HydrophobicContact CH2-CG2 3.7Å; W247-V251 HydrophobicContact CZ2-CG2 3.33Å; W247-V251 HydrophobicContact CZ3-CG2 4.32Å; W247-V251 WeakPolarHBondContact O-CB 3.46Å; W247-V251 VanDerWaalsContact O-CG2 3.32Å; W247-V251 WeakPolarHBondContact O-CG2 3.38Å; W247-V251 PolarHBondContact O-N 3.17Å
248F84.1Confident78.1Confident59 Ų5948.5 Ų48.526%0.25927%0.271SS..Hα-helixtrans-64.7-38.9-179.3-65.4-53000112.8F13 L244 H245 N252F13-F248 AromaticContact CE2-CZ 3.9Å; F13-F248 HydrophobicContact CE2-CZ 3.9Å; F13-F248 HydrophobicContact CZ-CE1 4.05Å; F13-F248 AromaticContact CZ-CZ 3.66Å; F13-F248 HydrophobicContact CZ-CZ 3.66Å; L244-F248 WeakPolarHBondContact O-CD2 3.24Å; L244-F248 WeakPolarHBondContact O-CE2 3.39Å; L244-F248 PolarHBondContact O-N 3.23Å; H245-F248 PolarHBondContact O-N 3.45Å; H245-F248 VanDerWaalsContact O-N 3.1Å; F248-N252 VanDerWaalsContact O-CB 3.27Å; F248-N252 WeakPolarHBondContact O-CB 3.03Å; F248-N252 PolarHBondContact O-N 3.37Å; F248-N252 PolarHBondContact O-ND2 3.42Å
249V87.7Confident79.7Confident25 Ų2548.8 Ų48.815%0.15227%0.273CS..Hα-helixtrans-60.4-49.9176.8172.60000110.7C226 L229 Y231 H245 E246 W247 N252 W253C226-V249 HydrophobicContact CB-CG1 4.47Å; L229-V249 HydrophobicContact CB-CG1 4.38Å; L229-V249 HydrophobicContact CD1-CG1 3.78Å; Y231-V249 HydrophobicContact CD2-CG2 4.02Å; Y231-V249 HydrophobicContact CG-CG2 4.22Å; H245-V249 WeakPolarHBondContact O-CG2 3.47Å; H245-V249 PolarHBondContact O-N 2.99Å; E246-V249 PolarHBondContact O-N 3.03Å; W247-V249 VanDerWaalsContact C-N 3.35Å; W247-V249 PolarHBondContact O-N 3.41Å; V249-N252 PolarHBondContact O-N 2.67Å; V249-W253 WeakPolarHBondContact O-CB 3.42Å; V249-W253 PolarHBondContact O-N 3.46Å
250L89.2Confident81.4Confident0 Ų046 Ų460%026%0.259CS..Hα-helixtrans-67.9-42.9-178.6-70.5-176.1000112.7L211 L214 Y215 R222 V225 L229 E246 W247 W253 L254L211-L250 HydrophobicContact CD1-CB 3.91Å; L211-L250 HydrophobicContact CD1-CD1 4.29Å; L214-L250 HydrophobicContact CB-CD1 4.03Å; L214-L250 HydrophobicContact CD1-CD1 3.88Å; L214-L250 HydrophobicContact CD1-CD2 3.95Å; L214-L250 HydrophobicContact CD1-CG 4.48Å; Y215-L250 HydrophobicContact CD2-CD1 4.45Å; Y215-L250 HydrophobicContact CE2-CD1 3.66Å; R222-L250 HydrophobicContact CG-CD1 3.71Å; V225-L250 HydrophobicContact CB-CD2 4.48Å; V225-L250 HydrophobicContact CG1-CD2 3.68Å; L229-L250 HydrophobicContact CD1-CD2 4.46Å; E246-L250 WeakPolarHBondContact O-CB 3.27Å; E246-L250 WeakPolarHBondContact O-CG 3.4Å; E246-L250 PolarHBondContact O-N 3.4Å; W247-L250 PolarHBondContact O-N 2.88Å; L250-W253 HydrophobicContact CD2-CE3 4.05Å; L250-W253 HydrophobicContact CD2-CZ3 4.43Å; L250-W253 PolarHBondContact O-N 3.48Å; L250-L254 WeakPolarHBondContact O-CG 3.37Å; L250-L254 PolarHBondContact O-N 3.21Å
251V87.9Confident82.5Confident8 Ų846.5 Ų46.55%0.04826%0.259CS..Hα-helixtrans-60.4-47.9176.6168.60000110.5V203 L211 W247 W253 L254 V255V203-V251 HydrophobicContact CG2-CB 4.41Å; V203-V251 HydrophobicContact CG2-CG1 3.91Å; V203-V251 HydrophobicContact CG2-CG2 4.16Å; L211-V251 HydrophobicContact CD2-CG2 4.22Å; W247-V251 HydrophobicContact CD2-CG2 4Å; W247-V251 VanDerWaalsContact CE2-CG2 3.47Å; W247-V251 HydrophobicContact CE3-CG2 4.44Å; W247-V251 HydrophobicContact CH2-CG2 3.7Å; W247-V251 HydrophobicContact CZ2-CG2 3.33Å; W247-V251 HydrophobicContact CZ3-CG2 4.32Å; W247-V251 WeakPolarHBondContact O-CB 3.46Å; W247-V251 VanDerWaalsContact O-CG2 3.32Å; W247-V251 WeakPolarHBondContact O-CG2 3.38Å; W247-V251 PolarHBondContact O-N 3.17Å; V251-W253 VanDerWaalsContact C-N 3.34Å; V251-W253 PolarHBondContact O-N 3.41Å; V251-L254 PolarHBondContact O-N 2.72Å; V251-V255 HydrophobicContact CG1-CG2 4.21Å; V251-V255 WeakPolarHBondContact O-CB 3.44Å; V251-V255 WeakPolarHBondContact O-CG2 3.39Å; V251-V255 PolarHBondContact O-N 2.87Å
252N89.3Confident82.9Confident95 Ų9546.8 Ų46.851%0.50825%0.254SS..Hα-helixtrans-62.7-41.5178.5-73.3-19.2000112F248 V249 V255 N256F248-N252 VanDerWaalsContact O-CB 3.27Å; F248-N252 WeakPolarHBondContact O-CB 3.03Å; F248-N252 PolarHBondContact O-N 3.37Å; F248-N252 PolarHBondContact O-ND2 3.42Å; V249-N252 PolarHBondContact O-N 2.67Å; N252-V255 PolarHBondContact O-N 3.27Å; N252-N256 WeakPolarHBondContact O-CB 3.27Å; N252-N256 VanDerWaalsContact O-CG 3.27Å; N252-N256 PolarHBondContact O-N 3.09Å; N252-N256 PolarHBondContact O-ND2 3.15Å; N252-N256 VanDerWaalsContact O-ND2 3.09Å
253W91.5Very high83.3Confident33 Ų3343.6 Ų43.613%0.12523%0.234CC..Hα-helixtrans-59.5-46.5175.716957.5000112L210 L214 V225 L229 V249 L250 V251 N256 S257 L265 F268 V269L210-W253 HydrophobicContact CD2-CH2 4.04Å; L210-W253 HydrophobicContact CD2-CZ3 4.27Å; L214-W253 HydrophobicContact CD1-CZ3 4Å; V225-W253 HydrophobicContact CG1-CZ3 4.25Å; L229-W253 HydrophobicContact CD1-CB 3.8Å; L229-W253 HydrophobicContact CD1-CD2 4.11Å; L229-W253 HydrophobicContact CD1-CG 3.78Å; L229-W253 HydrophobicContact CD2-CB 4.47Å; L229-W253 HydrophobicContact CD2-CD2 4.43Å; L229-W253 HydrophobicContact CD2-CG 3.91Å; V249-W253 WeakPolarHBondContact O-CB 3.42Å; V249-W253 PolarHBondContact O-N 3.46Å; L250-W253 HydrophobicContact CD2-CE3 4.05Å; L250-W253 HydrophobicContact CD2-CZ3 4.43Å; L250-W253 PolarHBondContact O-N 3.48Å; V251-W253 VanDerWaalsContact C-N 3.34Å; V251-W253 PolarHBondContact O-N 3.41Å; W253-N256 PolarHBondContact O-N 3.16Å; W253-S257 PolarHBondContact NE1-OG 3.28Å; W253-S257 VanDerWaalsContact O-CB 3.3Å; W253-S257 WeakPolarHBondContact O-CB 3.26Å; W253-S257 PolarHBondContact O-N 2.93Å; W253-S257 PolarHBondContact O-OG 2.98Å; W253-L265 HydrophobicContact CH2-CB 4.42Å; W253-L265 HydrophobicContact CH2-CD2 4.3Å; W253-L265 HydrophobicContact CZ2-CB 4.48Å; W253-L265 HydrophobicContact CZ2-CD2 3.65Å; W253-F268 HydrophobicContact CH2-CD1 4.1Å; W253-F268 AromaticContact CZ2-CD1 3.59Å; W253-F268 HydrophobicContact CZ2-CD1 3.59Å; W253-F268 HydrophobicContact CZ2-CE1 4.09Å; W253-F268 HydrophobicContact CZ2-CG 4.21Å; W253-V269 HydrophobicContact CH2-CG2 4.33Å
254L89.4Confident83.8Confident0 Ų046.4 Ų46.40%025%0.25CS..Hα-helixtrans-70.7-38.3-179.6-67.9174.7000112.8V203 L207 L210 L211 L250 V251 N256 S257 S258 L265V203-L254 HydrophobicContact CG1-CB 4.29Å; V203-L254 HydrophobicContact CG1-CD1 4.37Å; L207-L254 HydrophobicContact CD1-CB 4.36Å; L207-L254 HydrophobicContact CD1-CD2 4.49Å; L207-L254 VanDerWaalsContact CD1-O 3.22Å; L207-L254 WeakPolarHBondContact CD1-O 3.25Å; L210-L254 HydrophobicContact CD2-CD2 3.74Å; L210-L254 HydrophobicContact CG-CD2 4.36Å; L211-L254 HydrophobicContact CB-CD1 3.47Å; L211-L254 VanDerWaalsContact CB-CD1 3.47Å; L211-L254 HydrophobicContact CD1-CD1 3.8Å; L211-L254 HydrophobicContact CD2-CD1 4.12Å; L211-L254 HydrophobicContact CG-CD1 3.98Å; L250-L254 WeakPolarHBondContact O-CG 3.37Å; L250-L254 PolarHBondContact O-N 3.21Å; V251-L254 PolarHBondContact O-N 2.72Å; L254-N256 VanDerWaalsContact C-N 3.29Å; L254-N256 PolarHBondContact O-N 3.37Å; L254-S257 CarbonylContact O-C 3.6Å; L254-S257 PolarHBondContact O-N 3.05Å; L254-S257 VanDerWaalsContact O-N 3.08Å; L254-S258 PolarHBondContact O-N 2.87Å; L254-L265 HydrophobicContact CD2-CD1 4.44Å
255V88.5Confident84.4Confident51 Ų5146.2 Ų46.231%0.30925%0.25SC..Hα-helixtrans-58.4-44.3172.8169.90000110.4S202 V251 N252 S257S202-V255 WeakPolarHBondContact O-CG2 3.23Å; V251-V255 HydrophobicContact CG1-CG2 4.21Å; V251-V255 WeakPolarHBondContact O-CB 3.44Å; V251-V255 WeakPolarHBondContact O-CG2 3.39Å; V251-V255 PolarHBondContact O-N 2.87Å; N252-V255 PolarHBondContact O-N 3.27Å; V255-S257 PolarHBondContact O-N 3.49Å
256N88.7Confident84.8Confident135 Ų13544.6 Ų44.672%0.72224%0.242SC*.Hα-helixtrans-75.3-10.3177.5-68-31.5000113.8N252 W253 L254N252-N256 WeakPolarHBondContact O-CB 3.27Å; N252-N256 VanDerWaalsContact O-CG 3.27Å; N252-N256 PolarHBondContact O-N 3.09Å; N252-N256 PolarHBondContact O-ND2 3.15Å; N252-N256 VanDerWaalsContact O-ND2 3.09Å; W253-N256 PolarHBondContact O-N 3.16Å; L254-N256 VanDerWaalsContact C-N 3.29Å; L254-N256 PolarHBondContact O-N 3.37Å
257S88.8Confident85Confident11 Ų1147.3 Ų47.38%0.07726%0.255CS..THydrogen-bonded Turntrans-102.817.8180-57.60000112.9W253 L254 V255 N259 V260W253-S257 PolarHBondContact NE1-OG 3.28Å; W253-S257 VanDerWaalsContact O-CB 3.3Å; W253-S257 WeakPolarHBondContact O-CB 3.26Å; W253-S257 PolarHBondContact O-N 2.93Å; W253-S257 PolarHBondContact O-OG 2.98Å; L254-S257 CarbonylContact O-C 3.6Å; L254-S257 PolarHBondContact O-N 3.05Å; L254-S257 VanDerWaalsContact O-N 3.08Å; V255-S257 PolarHBondContact O-N 3.49Å; S257-N259 PolarHBondContact O-N 3.4Å; S257-V260 WeakPolarHBondContact O-CB 3.25Å; S257-V260 PolarHBondContact O-N 2.93Å
258S81.7Confident85.4Confident47 Ų4750 Ų5033%0.32927%0.266SS..THydrogen-bonded Turntrans-56.2-25.8-174.367.40000115.2L254L254-S258 PolarHBondContact O-N 2.87Å
259N82Confident85.7Confident157 Ų15747.2 Ų47.284%0.8425%0.254SS*.THydrogen-bonded Turntrans-101.1-2-178.2-60.1-19.9000112.8S257S257-N259 PolarHBondContact O-N 3.4Å
260V79.4Confident85.8Confident57 Ų5746.8 Ų46.835%0.34525%0.251SS..SBendtrans-82139.6-178.5-176.20000109S257 Y262 T264 L265S257-V260 WeakPolarHBondContact O-CB 3.25Å; S257-V260 PolarHBondContact O-N 2.93Å; V260-Y262 PolarHBondContact O-N 3.36Å; V260-T264 HydrophobicContact CG1-CG2 4.11Å; V260-L265 HydrophobicContact CB-CD2 4.09Å; V260-L265 HydrophobicContact CB-CG 4.28Å; V260-L265 HydrophobicContact CG1-CD2 3.76Å; V260-L265 HydrophobicContact CG1-CG 3.91Å
261N77.9Confident85.9Confident98 Ų9852.1 Ų52.152%0.52428%0.276SS..  trans-60.2131.3173.5-175.6-22.5000109.7V263 T264 L265N261-V263 PolarHBondContact O-N 3.39Å; N261-V263 PolarHBondContact OD1-N 3.17Å; N261-T264 WeakPolarHBondContact O-CB 3.44Å; N261-T264 PolarHBondContact O-N 3.43Å; N261-L265 PolarHBondContact O-N 2.9Å
262Y74.7Confident86Confident45 Ų4552.3 Ų52.318%0.17628%0.278CS..Hα-helixtrans-46.6-43.7175-177.2-96.3000112.7L207 L210 V260 T264 L265 Y266 L340L207-Y262 HydrophobicContact CD2-CD2 4.45Å; L210-Y262 HydrophobicContact CB-CE2 4.23Å; V260-Y262 PolarHBondContact O-N 3.36Å; Y262-T264 VanDerWaalsContact C-N 3.34Å; Y262-T264 PolarHBondContact O-N 2.94Å; Y262-L265 WeakPolarHBondContact O-CB 3.41Å; Y262-L265 PolarHBondContact O-N 3.44Å; Y262-L265 VanDerWaalsContact O-N 3.1Å; Y262-Y266 AromaticContact CD1-CD2 3.85Å; Y262-Y266 HydrophobicContact CD1-CD2 3.85Å; Y262-Y266 AromaticContact CD1-CE2 3.77Å; Y262-Y266 HydrophobicContact CD1-CE2 3.77Å; Y262-Y266 HydrophobicContact CD2-CE2 4.03Å; Y262-Y266 AromaticContact CE1-CD2 3.63Å; Y262-Y266 HydrophobicContact CE1-CD2 3.63Å; Y262-Y266 AromaticContact CE1-CE2 3.17Å; Y262-Y266 HydrophobicContact CE1-CE2 3.17Å; Y262-Y266 AromaticContact CE1-CZ 3.88Å; Y262-Y266 HydrophobicContact CE2-CD2 4.39Å; Y262-Y266 AromaticContact CE2-CE2 3.49Å; Y262-Y266 HydrophobicContact CE2-CE2 3.49Å; Y262-Y266 VanDerWaalsContact CE2-CE2 3.49Å; Y262-Y266 HydrophobicContact CG-CD2 4.34Å; Y262-Y266 HydrophobicContact CG-CE2 4.18Å; Y262-Y266 AromaticContact CZ-CD2 3.97Å; Y262-Y266 AromaticContact CZ-CE2 3.04Å; Y262-Y266 AromaticContact CZ-CZ 3.57Å; Y262-Y266 WeakPolarHBondContact O-CD2 3.41Å; Y262-Y266 PolarHBondContact O-N 3.42Å; Y262-Y266 WeakPolarHBondContact OH-CE2 3.36Å; Y262-Y266 VanDerWaalsContact OH-CZ 3.32Å; Y262-Y266 PolarHBondContact OH-OH 2.84Å; Y262-L340 HydrophobicContact CD1-CD1 3.69Å; Y262-L340 HydrophobicContact CE1-CD1 3.62Å
263V77.9Confident86.1Confident20 Ų2048.2 Ų48.212%0.12126%0.256CS..Hα-helixtrans-57.8-45.4178.6178.20000111.6N261 L265 Y266 E267 L340N261-V263 PolarHBondContact O-N 3.39Å; N261-V263 PolarHBondContact OD1-N 3.17Å; V263-L265 PolarHBondContact O-N 2.95Å; V263-Y266 PolarHBondContact O-N 3.22Å; V263-Y266 VanDerWaalsContact O-N 3.09Å; V263-E267 WeakPolarHBondContact O-CG 3.45Å; V263-E267 PolarHBondContact O-N 3.18Å; V263-L340 HydrophobicContact CG2-CD1 4.16Å
264T83.5Confident86Confident66 Ų6655.4 Ų55.441%0.40528%0.283SS..Hα-helixtrans-62.8-31.7179.5-53.20000111.9V260 N261 Y262 E267 F268V260-T264 HydrophobicContact CG1-CG2 4.11Å; N261-T264 WeakPolarHBondContact O-CB 3.44Å; N261-T264 PolarHBondContact O-N 3.43Å; Y262-T264 VanDerWaalsContact C-N 3.34Å; Y262-T264 PolarHBondContact O-N 2.94Å; T264-E267 PolarHBondContact O-N 2.99Å; T264-F268 PolarHBondContact O-N 2.88Å
265L87.4Confident85.9Confident5 Ų560.7 Ų60.73%0.02632%0.315CS..Hα-helixtrans-71.4-37175.4-60.4173.7000111.9L207 L210 W253 L254 V260 N261 Y262 V263 F268 V269L207-L265 HydrophobicContact CD1-CD1 4.43Å; L207-L265 HydrophobicContact CD2-CD1 3.46Å; L207-L265 VanDerWaalsContact CD2-CD1 3.46Å; L210-L265 HydrophobicContact CD2-CB 3.47Å; L210-L265 VanDerWaalsContact CD2-CB 3.47Å; L210-L265 HydrophobicContact CD2-CD1 3.98Å; L210-L265 HydrophobicContact CD2-CG 4.33Å; W253-L265 HydrophobicContact CH2-CB 4.42Å; W253-L265 HydrophobicContact CH2-CD2 4.3Å; W253-L265 HydrophobicContact CZ2-CB 4.48Å; W253-L265 HydrophobicContact CZ2-CD2 3.65Å; L254-L265 HydrophobicContact CD2-CD1 4.44Å; V260-L265 HydrophobicContact CB-CD2 4.09Å; V260-L265 HydrophobicContact CB-CG 4.28Å; V260-L265 HydrophobicContact CG1-CD2 3.76Å; V260-L265 HydrophobicContact CG1-CG 3.91Å; N261-L265 PolarHBondContact O-N 2.9Å; Y262-L265 WeakPolarHBondContact O-CB 3.41Å; Y262-L265 PolarHBondContact O-N 3.44Å; Y262-L265 VanDerWaalsContact O-N 3.1Å; V263-L265 PolarHBondContact O-N 2.95Å; L265-F268 WeakPolarHBondContact O-CB 3.37Å; L265-F268 PolarHBondContact O-N 3.26Å; L265-V269 WeakPolarHBondContact O-CG2 3.47Å; L265-V269 PolarHBondContact O-N 3.05Å; L265-V269 VanDerWaalsContact O-N 3.11Å
266Y85.9Confident85.8Confident0 Ų066.9 Ų66.90%034%0.341CS..Hα-helixtrans-65.9-42.3172-83.5-97.7000111.7L210 V213 Y262 V263 F268 V269 I270 L285 I289L210-Y266 WeakPolarHBondContact CA-OH 3.25Å; L210-Y266 HydrophobicContact CB-CE2 3.92Å; L210-Y266 HydrophobicContact CD1-CD2 4.13Å; L210-Y266 HydrophobicContact CD1-CE1 4.08Å; L210-Y266 HydrophobicContact CD1-CE2 3.64Å; L210-Y266 HydrophobicContact CD2-CE2 4.4Å; L210-Y266 HydrophobicContact CG-CE2 4.18Å; V213-Y266 HydrophobicContact CG2-CE1 4.33Å; V213-Y266 WeakPolarHBondContact CG2-OH 3.32Å; Y262-Y266 AromaticContact CD1-CD2 3.85Å; Y262-Y266 HydrophobicContact CD1-CD2 3.85Å; Y262-Y266 AromaticContact CD1-CE2 3.77Å; Y262-Y266 HydrophobicContact CD1-CE2 3.77Å; Y262-Y266 HydrophobicContact CD2-CE2 4.03Å; Y262-Y266 AromaticContact CE1-CD2 3.63Å; Y262-Y266 HydrophobicContact CE1-CD2 3.63Å; Y262-Y266 AromaticContact CE1-CE2 3.17Å; Y262-Y266 HydrophobicContact CE1-CE2 3.17Å; Y262-Y266 AromaticContact CE1-CZ 3.88Å; Y262-Y266 HydrophobicContact CE2-CD2 4.39Å; Y262-Y266 AromaticContact CE2-CE2 3.49Å; Y262-Y266 HydrophobicContact CE2-CE2 3.49Å; Y262-Y266 VanDerWaalsContact CE2-CE2 3.49Å; Y262-Y266 HydrophobicContact CG-CD2 4.34Å; Y262-Y266 HydrophobicContact CG-CE2 4.18Å; Y262-Y266 AromaticContact CZ-CD2 3.97Å; Y262-Y266 AromaticContact CZ-CE2 3.04Å; Y262-Y266 AromaticContact CZ-CZ 3.57Å; Y262-Y266 WeakPolarHBondContact O-CD2 3.41Å; Y262-Y266 PolarHBondContact O-N 3.42Å; Y262-Y266 WeakPolarHBondContact OH-CE2 3.36Å; Y262-Y266 VanDerWaalsContact OH-CZ 3.32Å; Y262-Y266 PolarHBondContact OH-OH 2.84Å; V263-Y266 PolarHBondContact O-N 3.22Å; V263-Y266 VanDerWaalsContact O-N 3.09Å; Y266-F268 VanDerWaalsContact C-N 3.26Å; Y266-F268 PolarHBondContact O-N 3.42Å; Y266-V269 WeakPolarHBondContact O-CB 3.3Å; Y266-V269 PolarHBondContact O-N 3.46Å; Y266-V269 VanDerWaalsContact O-N 3.12Å; Y266-I270 WeakPolarHBondContact O-CG1 3.47Å; Y266-I270 PolarHBondContact O-N 3.16Å; Y266-L285 HydrophobicContact CD1-CB 4.07Å; Y266-L285 HydrophobicContact CD1-CD1 3.9Å; Y266-L285 HydrophobicContact CD1-CG 4.37Å; Y266-L285 HydrophobicContact CE1-CB 4.14Å; Y266-L285 HydrophobicContact CE1-CD2 4.4Å; Y266-I289 HydrophobicContact CD1-CD1 3.74Å; Y266-I289 HydrophobicContact CE1-CD1 3.13Å; Y266-I289 HydrophobicContact CE1-CG1 3.66Å; Y266-I289 HydrophobicContact CE2-CD1 4.46Å; Y266-I289 WeakPolarHBondContact OH-CG1 3.27Å
267E87.2Confident85.6Confident81 Ų8164.3 Ų64.338%0.37933%0.325SS..Hα-helixtrans-58.3-40.1173.2-70.6177.7157.500111.6V263 T264 V269 I270 Q271V263-E267 WeakPolarHBondContact O-CG 3.45Å; V263-E267 PolarHBondContact O-N 3.18Å; T264-E267 PolarHBondContact O-N 2.99Å; E267-V269 PolarHBondContact O-N 2.98Å; E267-I270 PolarHBondContact O-N 3.21Å; E267-Q271 WeakPolarHBondContact O-CB 3.49Å; E267-Q271 WeakPolarHBondContact O-CG 3.17Å; E267-Q271 PolarHBondContact O-N 3.24Å
268F90.7Very high85.4Confident57 Ų5768 Ų6825%0.2534%0.337CS..Hα-helixtrans-59.6-45.4173.7-177.1-92.2000111.8V225 Q228 L229 W253 T264 L265 Y266 I270 Q271 A272V225-F268 HydrophobicContact CG1-CE1 4.13Å; Q228-F268 HydrophobicContact CB-CZ 4.13Å; L229-F268 HydrophobicContact CD2-CE1 3.99Å; L229-F268 HydrophobicContact CD2-CZ 3.75Å; L229-F268 HydrophobicContact CG-CE1 4.24Å; L229-F268 HydrophobicContact CG-CZ 4.24Å; W253-F268 HydrophobicContact CH2-CD1 4.1Å; W253-F268 AromaticContact CZ2-CD1 3.59Å; W253-F268 HydrophobicContact CZ2-CD1 3.59Å; W253-F268 HydrophobicContact CZ2-CE1 4.09Å; W253-F268 HydrophobicContact CZ2-CG 4.21Å; T264-F268 PolarHBondContact O-N 2.88Å; L265-F268 WeakPolarHBondContact O-CB 3.37Å; L265-F268 PolarHBondContact O-N 3.26Å; Y266-F268 VanDerWaalsContact C-N 3.26Å; Y266-F268 PolarHBondContact O-N 3.42Å; F268-I270 VanDerWaalsContact C-N 3.31Å; F268-I270 PolarHBondContact O-N 2.84Å; F268-Q271 PolarHBondContact O-N 3.39Å; F268-A272 PolarHBondContact O-N 3.01Å
269V90.8Very high85.4Confident0 Ų072 Ų720%035%0.35CS..Hα-helixtrans-61.5-40.1176178.30000111.5L210 L214 V221 V225 W253 L265 Y266 E267 A272 H273 L285L210-V269 HydrophobicContact CD1-CG2 4.13Å; L214-V269 HydrophobicContact CD2-CG1 4.1Å; L214-V269 HydrophobicContact CD2-CG2 4.06Å; V221-V269 HydrophobicContact CG1-CG1 3.6Å; V225-V269 HydrophobicContact CG2-CB 4.12Å; V225-V269 HydrophobicContact CG2-CG1 3.84Å; V225-V269 HydrophobicContact CG2-CG2 3.87Å; W253-V269 HydrophobicContact CH2-CG2 4.33Å; L265-V269 WeakPolarHBondContact O-CG2 3.47Å; L265-V269 PolarHBondContact O-N 3.05Å; L265-V269 VanDerWaalsContact O-N 3.11Å; Y266-V269 WeakPolarHBondContact O-CB 3.3Å; Y266-V269 PolarHBondContact O-N 3.46Å; Y266-V269 VanDerWaalsContact O-N 3.12Å; E267-V269 PolarHBondContact O-N 2.98Å; V269-A272 WeakPolarHBondContact O-CB 3.13Å; V269-A272 PolarHBondContact O-N 3.37Å; V269-H273 PolarHBondContact O-CE1 3.46Å; V269-H273 PolarHBondContact O-ND1 3.47Å; V269-L285 HydrophobicContact CB-CD1 4.26Å; V269-L285 HydrophobicContact CG1-CD1 3.96Å; V269-L285 HydrophobicContact CG1-CD2 4.02Å
270I89.2Confident85.3Confident17 Ų1767 Ų679%0.08733%0.328CS..Hα-helixtrans-67-45.2176.9-64.6161.9000110.3Y266 E267 F268 A272 H273 R278 T282 L285 L344Y266-I270 WeakPolarHBondContact O-CG1 3.47Å; Y266-I270 PolarHBondContact O-N 3.16Å; E267-I270 PolarHBondContact O-N 3.21Å; F268-I270 VanDerWaalsContact C-N 3.31Å; F268-I270 PolarHBondContact O-N 2.84Å; I270-A272 PolarHBondContact O-N 3.45Å; I270-H273 PolarHBondContact O-N 2.94Å; I270-H273 VanDerWaalsContact O-N 3.08Å; I270-R278 HydrophobicContact CG2-CB 3.83Å; I270-R278 HydrophobicContact CG2-CG 3.81Å; I270-R278 WeakPolarHBondContact O-CG 3.39Å; I270-T282 HydrophobicContact CD1-CG2 4.33Å; I270-T282 WeakPolarHBondContact CD1-OG1 3.45Å; I270-L285 HydrophobicContact CD1-CD1 4.23Å; I270-L285 HydrophobicContact CG1-CD1 3.69Å; I270-L344 HydrophobicContact CD1-CD2 3.66Å
271Q90.7Very high85.5Confident112 Ų11264.5 Ų64.552%0.52331%0.313SS..Hα-helixtrans-65.8-17.1176.9-71.3-169.911.100113.3Q228 E267 F268 H273Q228-Q271 PolarHBondContact NE2-O 3.04Å; E267-Q271 WeakPolarHBondContact O-CB 3.49Å; E267-Q271 WeakPolarHBondContact O-CG 3.17Å; E267-Q271 PolarHBondContact O-N 3.24Å; F268-Q271 PolarHBondContact O-N 3.39Å; Q271-H273 PolarHBondContact O-N 2.82Å; Q271-H273 VanDerWaalsContact O-N 3.13Å
272A91.1Very high85.7Confident11 Ų1160.7 Ų60.79%0.09129%0.293CS..THydrogen-bonded Turntrans-58.2-18.2169.100000114.6N224 V225 Q228 F268 V269 I270N224-A272 HydrophobicContact CB-CB 4.19Å; V225-A272 HydrophobicContact CG2-CB 3.99Å; Q228-A272 HydrophobicContact CG-CB 4.09Å; Q228-A272 VanDerWaalsContact NE2-CA 3.3Å; F268-A272 PolarHBondContact O-N 3.01Å; V269-A272 WeakPolarHBondContact O-CB 3.13Å; V269-A272 PolarHBondContact O-N 3.37Å; I270-A272 PolarHBondContact O-N 3.45Å
273H91Very high85.8Confident10 Ų1062 Ų625%0.04630%0.301CS..SBendtrans-113157.6-172.3-61.278.4000112.6N224 V269 I270 Q271 E277 R278 V281N224-H273 PolarHBondContact ND2-CD2 3.01Å; N224-H273 PolarHBondContact ND2-NE2 2.86Å; V269-H273 PolarHBondContact O-CE1 3.46Å; V269-H273 PolarHBondContact O-ND1 3.47Å; I270-H273 PolarHBondContact O-N 2.94Å; I270-H273 VanDerWaalsContact O-N 3.08Å; Q271-H273 PolarHBondContact O-N 2.82Å; Q271-H273 VanDerWaalsContact O-N 3.13Å; H273-E277 HydrophobicContact CB-CB 4.18Å; H273-E277 IonicContact CD2-OE2 3.81Å; H273-R278 HydrophobicContact CB-CG 4.47Å; H273-R278 PolarHBondContact O-NE 3.22Å; H273-R278 VanDerWaalsContact O-NE 3.09Å; H273-V281 HydrophobicContact CB-CG2 4.29Å
274R89.6Confident85.9Confident183 Ų18361.8 Ų61.869%0.69130%0.298SS*.  trans-62.1149174.2-64.4177.5178.9175.71.3109.8E276 E277 R278R274-E276 PolarHBondContact O-N 3.41Å; R274-E277 PolarHBondContact O-N 3.28Å; R274-R278 WeakPolarHBondContact O-CG 3.48Å; R274-R278 PolarHBondContact O-N 3.43Å
275T86.8Confident85.6Confident111 Ų11158.6 Ų58.668%0.68128%0.278SS*.THydrogen-bonded Turntrans-50.7-37.2-177.2-50.40000113.4E277T275-E277 VanDerWaalsContact C-N 3.35Å; T275-E277 PolarHBondContact O-N 3.25Å
276E86.7Confident85Confident182 Ų18258.6 Ų58.685%0.8528%0.278SS*.THydrogen-bonded Turntrans-67.9-28.7178.8-62.9164.7-157.900113.7R274R274-E276 PolarHBondContact O-N 3.41Å
277E84.8Confident84.3Confident80 Ų8059.8 Ų59.837%0.37429%0.285SS..THydrogen-bonded Turntrans-91.5-21-177.1-66.5168.4176.400112.4H273 R274 T275 Q279 S280 V281H273-E277 HydrophobicContact CB-CB 4.18Å; H273-E277 IonicContact CD2-OE2 3.81Å; R274-E277 PolarHBondContact O-N 3.28Å; T275-E277 VanDerWaalsContact C-N 3.35Å; T275-E277 PolarHBondContact O-N 3.25Å; E277-Q279 VanDerWaalsContact C-N 3.28Å; E277-Q279 PolarHBondContact O-N 3.05Å; E277-S280 PolarHBondContact O-N 3.42Å; E277-S280 VanDerWaalsContact O-N 3.08Å; E277-V281 PolarHBondContact O-N 3.35Å
278R85.4Confident83.6Confident88 Ų8855.9 Ų55.933%0.33227%0.267SS..Hα-helixtrans-53.9-41.5-172-74.2-178.6-173.5178.2-2.5113.2I270 H273 R274 V281 T282I270-R278 HydrophobicContact CG2-CB 3.83Å; I270-R278 HydrophobicContact CG2-CG 3.81Å; I270-R278 WeakPolarHBondContact O-CG 3.39Å; H273-R278 HydrophobicContact CB-CG 4.47Å; H273-R278 PolarHBondContact O-NE 3.22Å; H273-R278 VanDerWaalsContact O-NE 3.09Å; R274-R278 WeakPolarHBondContact O-CG 3.48Å; R274-R278 PolarHBondContact O-N 3.43Å; R278-V281 PolarHBondContact O-N 3.25Å; R278-T282 WeakPolarHBondContact O-CB 3.45Å; R278-T282 PolarHBondContact O-N 3.26Å; R278-T282 PolarHBondContact O-OG1 3.41Å
279Q80.8Confident82.6Confident132 Ų13253.3 Ų53.362%0.61726%0.255SS*.Hα-helixtrans-62-48.1179-175-176.8-17.400112E277 V281 T282 E283E277-Q279 VanDerWaalsContact C-N 3.28Å; E277-Q279 PolarHBondContact O-N 3.05Å; Q279-V281 VanDerWaalsContact C-N 3.28Å; Q279-V281 PolarHBondContact O-N 3.24Å; Q279-T282 PolarHBondContact O-N 3.33Å; Q279-E283 PolarHBondContact NE2-OE1 3.4Å; Q279-E283 WeakPolarHBondContact O-CG 3.4Å; Q279-E283 PolarHBondContact O-N 3.21Å
280S79.6Confident81.5Confident52 Ų5253.6 Ų53.636%0.36426%0.258SS..Hα-helixtrans-62.6-36.1178.2172.20000112R218 E277 Y284R218-S280 PolarHBondContact NH1-O 3.46Å; R218-S280 PolarHBondContact NH1-OG 2.75Å; R218-S280 VanDerWaalsContact NH1-OG 3.13Å; E277-S280 PolarHBondContact O-N 3.42Å; E277-S280 VanDerWaalsContact O-N 3.08Å; S280-Y284 WeakPolarHBondContact O-CB 3.37Å; S280-Y284 PolarHBondContact O-N 2.95Å
281V83.4Confident80.2Confident5 Ų553.3 Ų53.33%0.0326%0.258CS..Hα-helixtrans-68.7-47.3175175.70000110.4V221 H273 E277 R278 Q279 E283 Y284 L285V221-V281 HydrophobicContact CG2-CG1 4.38Å; V221-V281 HydrophobicContact CG2-CG2 4.4Å; H273-V281 HydrophobicContact CB-CG2 4.29Å; E277-V281 PolarHBondContact O-N 3.35Å; R278-V281 PolarHBondContact O-N 3.25Å; Q279-V281 VanDerWaalsContact C-N 3.28Å; Q279-V281 PolarHBondContact O-N 3.24Å; V281-E283 VanDerWaalsContact C-N 3.32Å; V281-E283 PolarHBondContact O-N 2.79Å; V281-Y284 WeakPolarHBondContact O-CB 3.28Å; V281-Y284 PolarHBondContact O-N 2.88Å; V281-Y284 VanDerWaalsContact O-N 3.14Å; V281-L285 HydrophobicContact CG1-CD1 4Å; V281-L285 HydrophobicContact CG1-CG 4.13Å; V281-L285 VanDerWaalsContact O-CG 3.27Å; V281-L285 WeakPolarHBondContact O-CG 3.49Å; V281-L285 PolarHBondContact O-N 3.04Å
282T82.6Confident78.8Confident18 Ų1848.3 Ų48.311%0.1123%0.234CC..Hα-helixtrans-56.3-46.1176.3-59.40000111.7I270 R278 Q279 Y284 L285 L286 L344 A346I270-T282 HydrophobicContact CD1-CG2 4.33Å; I270-T282 WeakPolarHBondContact CD1-OG1 3.45Å; R278-T282 WeakPolarHBondContact O-CB 3.45Å; R278-T282 PolarHBondContact O-N 3.26Å; R278-T282 PolarHBondContact O-OG1 3.41Å; Q279-T282 PolarHBondContact O-N 3.33Å; T282-Y284 PolarHBondContact O-N 2.95Å; T282-L285 PolarHBondContact O-N 3.01Å; T282-L286 HydrophobicContact CG2-CD1 3.98Å; T282-L286 WeakPolarHBondContact O-CB 3.41Å; T282-L286 VanDerWaalsContact O-CG 3.32Å; T282-L286 WeakPolarHBondContact O-CG 3.5Å; T282-L286 PolarHBondContact O-N 3.41Å; T282-L344 HydrophobicContact CG2-CB 4.12Å; T282-L344 HydrophobicContact CG2-CD1 4.4Å; T282-A346 HydrophobicContact CG2-CB 4.42Å
283E77.2Confident77.3Confident72 Ų7249.4 Ų49.434%0.33624%0.238SC..Hα-helixtrans-60.5-44176-71.6170.9-172.500111.6Q279 V281 L286 D287Q279-E283 PolarHBondContact NE2-OE1 3.4Å; Q279-E283 WeakPolarHBondContact O-CG 3.4Å; Q279-E283 PolarHBondContact O-N 3.21Å; V281-E283 VanDerWaalsContact C-N 3.32Å; V281-E283 PolarHBondContact O-N 2.79Å; E283-L286 PolarHBondContact O-N 3.33Å; E283-D287 WeakPolarHBondContact O-CB 3.48Å; E283-D287 PolarHBondContact O-N 3.13Å
284Y78.7Confident75.9Confident15 Ų1551.7 Ų51.76%0.05925%0.251CS..Hα-helixtrans-61.1-46.1174.3165.3-96.5000112.6V213 G217 R218 V221 S280 V281 T282 L286 D287 C288V213-Y284 HydrophobicContact CG1-CE1 4.07Å; V213-Y284 PolarHBondContact O-OH 2.66Å; G217-Y284 PolarHBondContact N-OH 3.2Å; R218-Y284 HydrophobicContact CB-CE1 4.13Å; R218-Y284 HydrophobicContact CB-CE2 4.14Å; R218-Y284 HydrophobicContact CG-CD2 3.9Å; R218-Y284 HydrophobicContact CG-CE1 4.34Å; R218-Y284 HydrophobicContact CG-CE2 3.63Å; R218-Y284 HydrophobicContact CG-CG 4.34Å; R218-Y284 PolarHBondContact N-OH 3.42Å; V221-Y284 HydrophobicContact CG2-CD1 4.27Å; V221-Y284 HydrophobicContact CG2-CE1 4.3Å; S280-Y284 WeakPolarHBondContact O-CB 3.37Å; S280-Y284 PolarHBondContact O-N 2.95Å; V281-Y284 WeakPolarHBondContact O-CB 3.28Å; V281-Y284 PolarHBondContact O-N 2.88Å; V281-Y284 VanDerWaalsContact O-N 3.14Å; T282-Y284 PolarHBondContact O-N 2.95Å; Y284-L286 VanDerWaalsContact C-N 3.31Å; Y284-L286 PolarHBondContact O-N 3.23Å; Y284-D287 PolarHBondContact O-N 3.34Å; Y284-C288 WeakPolarHBondContact CE2-SG 3.44Å; Y284-C288 WeakPolarHBondContact O-CB 3.33Å; Y284-C288 PolarHBondContact O-N 3.02Å; Y284-C288 PolarHBondContact O-SG 2.53Å
285L78Confident74.9Confident0 Ų046.1 Ų46.10%024%0.235CC..Hα-helixtrans-61.2-43.6179.5-65.6176.4000110V213 Y266 V269 I270 V281 T282 C288 I289V213-L285 HydrophobicContact CG1-CD2 3.25Å; V213-L285 HydrophobicContact CG1-CG 4.44Å; Y266-L285 HydrophobicContact CD1-CB 4.07Å; Y266-L285 HydrophobicContact CD1-CD1 3.9Å; Y266-L285 HydrophobicContact CD1-CG 4.37Å; Y266-L285 HydrophobicContact CE1-CB 4.14Å; Y266-L285 HydrophobicContact CE1-CD2 4.4Å; V269-L285 HydrophobicContact CB-CD1 4.26Å; V269-L285 HydrophobicContact CG1-CD1 3.96Å; V269-L285 HydrophobicContact CG1-CD2 4.02Å; I270-L285 HydrophobicContact CD1-CD1 4.23Å; I270-L285 HydrophobicContact CG1-CD1 3.69Å; V281-L285 HydrophobicContact CG1-CD1 4Å; V281-L285 HydrophobicContact CG1-CG 4.13Å; V281-L285 VanDerWaalsContact O-CG 3.27Å; V281-L285 WeakPolarHBondContact O-CG 3.49Å; V281-L285 PolarHBondContact O-N 3.04Å; T282-L285 PolarHBondContact O-N 3.01Å; L285-C288 PolarHBondContact O-N 3.1Å; L285-I289 WeakPolarHBondContact O-CB 3.48Å; L285-I289 WeakPolarHBondContact O-CD1 3.45Å; L285-I289 WeakPolarHBondContact O-CG1 3.38Å; L285-I289 PolarHBondContact O-N 3.4Å
286L74.6Confident74.3Confident5 Ų541.4 Ų41.43%0.02621%0.206CC..Hα-helixtrans-67-41.5178.4-73.8169.3000113.2T282 E283 Y284 C288 I289 A290 L340 I341 L344 A346T282-L286 HydrophobicContact CG2-CD1 3.98Å; T282-L286 WeakPolarHBondContact O-CB 3.41Å; T282-L286 VanDerWaalsContact O-CG 3.32Å; T282-L286 WeakPolarHBondContact O-CG 3.5Å; T282-L286 PolarHBondContact O-N 3.41Å; E283-L286 PolarHBondContact O-N 3.33Å; Y284-L286 VanDerWaalsContact C-N 3.31Å; Y284-L286 PolarHBondContact O-N 3.23Å; L286-C288 VanDerWaalsContact C-N 3.29Å; L286-C288 PolarHBondContact O-N 2.95Å; L286-I289 PolarHBondContact O-N 2.84Å; L286-A290 VanDerWaalsContact O-CB 3.31Å; L286-A290 WeakPolarHBondContact O-CB 3.47Å; L286-A290 PolarHBondContact O-N 3.2Å; L286-L340 HydrophobicContact CD2-CD2 3.78Å; L286-I341 HydrophobicContact CD2-CG1 4.06Å; L286-L344 HydrophobicContact CD2-CD1 4.03Å; L286-L344 HydrophobicContact CG-CD1 4.37Å; L286-A346 HydrophobicContact CD1-CB 3.02Å
287D71.2Confident73.7Confident24 Ų2436.3 Ų36.313%0.12818%0.178CC..Hα-helixtrans-60.2-42.6174.2-82.2-28.2000111.4K87 E283 Y284 A291K87-D287 IonicContact NZ-OD1 3.85Å; K87-D287 PolarHBondContact NZ-OD1 3.21Å; K87-D287 IonicContact NZ-OD2 3.86Å; K87-D287 PolarHBondContact NZ-OD2 3.41Å; E283-D287 WeakPolarHBondContact O-CB 3.48Å; E283-D287 PolarHBondContact O-N 3.13Å; Y284-D287 PolarHBondContact O-N 3.34Å; D287-A291 WeakPolarHBondContact O-CB 3.49Å; D287-A291 PolarHBondContact O-N 3.39Å; D287-A291 VanDerWaalsContact O-N 3.08Å
288C72.5Confident73.4Confident0 Ų038.7 Ų38.70%019%0.19CC..Hα-helixtrans-64.4-51175.7-70.20000110.6V213 Y284 L285 L286 A290 A291 F292V213-C288 HydrophobicContact CB-CB 4.3Å; V213-C288 HydrophobicContact CG1-CB 3.83Å; V213-C288 HydrophobicContact CG2-CB 3.86Å; Y284-C288 WeakPolarHBondContact CE2-SG 3.44Å; Y284-C288 WeakPolarHBondContact O-CB 3.33Å; Y284-C288 PolarHBondContact O-N 3.02Å; Y284-C288 PolarHBondContact O-SG 2.53Å; L285-C288 PolarHBondContact O-N 3.1Å; L286-C288 VanDerWaalsContact C-N 3.29Å; L286-C288 PolarHBondContact O-N 2.95Å; C288-A290 VanDerWaalsContact C-N 3.35Å; C288-A290 PolarHBondContact O-N 2.86Å; C288-A291 CarbonylContact O-C 3.55Å; C288-A291 WeakPolarHBondContact O-CB 3.49Å; C288-A291 PolarHBondContact O-N 2.87Å; C288-A291 VanDerWaalsContact O-N 3.14Å; C288-F292 HydrophobicContact CB-CD2 4.27Å; C288-F292 HydrophobicContact CB-CE1 4.43Å; C288-F292 HydrophobicContact CB-CE2 3.48Å; C288-F292 VanDerWaalsContact CB-CE2 3.48Å; C288-F292 HydrophobicContact CB-CZ 3.53Å; C288-F292 WeakPolarHBondContact O-CD1 3.3Å; C288-F292 WeakPolarHBondContact O-CD2 3.34Å; C288-F292 WeakPolarHBondContact O-CE1 3.43Å; C288-F292 WeakPolarHBondContact O-CE2 3.46Å; C288-F292 WeakPolarHBondContact O-CG 3.35Å; C288-F292 WeakPolarHBondContact O-CZ 3.24Å; C288-F292 PolarHBondContact O-N 2.81Å
289I69.8Low73.2Confident2 Ų235.6 Ų35.61%0.0118%0.18CC..Hα-helixtrans-59.8-44.4179.1-63.9160.9000111.2V213 Y266 L285 L286 A291 F292 M293 M337 L340V213-I289 HydrophobicContact CG2-CG1 4.04Å; Y266-I289 HydrophobicContact CD1-CD1 3.74Å; Y266-I289 HydrophobicContact CE1-CD1 3.13Å; Y266-I289 HydrophobicContact CE1-CG1 3.66Å; Y266-I289 HydrophobicContact CE2-CD1 4.46Å; Y266-I289 WeakPolarHBondContact OH-CG1 3.27Å; L285-I289 WeakPolarHBondContact O-CB 3.48Å; L285-I289 WeakPolarHBondContact O-CD1 3.45Å; L285-I289 WeakPolarHBondContact O-CG1 3.38Å; L285-I289 PolarHBondContact O-N 3.4Å; L286-I289 PolarHBondContact O-N 2.84Å; I289-A291 VanDerWaalsContact C-N 3.31Å; I289-A291 PolarHBondContact O-N 3.44Å; I289-F292 CarbonylContact O-C 3.55Å; I289-F292 WeakPolarHBondContact O-CA 3.36Å; I289-F292 PolarHBondContact O-N 2.95Å; I289-M293 HydrophobicContact CG2-CB 4.42Å; I289-M293 HydrophobicContact CG2-CG 3.75Å; I289-M293 HydrophobicContact CG2-SD 3.34Å; I289-M293 WeakPolarHBondContact CG2-SD 3.38Å; I289-M293 VanDerWaalsContact O-CB 3.29Å; I289-M293 WeakPolarHBondContact O-CB 3.49Å; I289-M293 WeakPolarHBondContact O-CG 3.23Å; I289-M293 PolarHBondContact O-N 3.18Å; I289-M337 HydrophobicContact CB-SD 4.28Å; I289-M337 HydrophobicContact CG2-CE 4.31Å; I289-M337 HydrophobicContact CG2-SD 3.35Å; I289-M337 WeakPolarHBondContact CG2-SD 3.42Å; I289-L340 HydrophobicContact CD1-CD2 3.52Å
290A67.4Low73.5Confident7 Ų729.3 Ų29.36%0.05815%0.151CC..Hα-helixtrans-55.5-50.1175.600000110L286 C288 F292 M293 D294 M337 P349L286-A290 VanDerWaalsContact O-CB 3.31Å; L286-A290 WeakPolarHBondContact O-CB 3.47Å; L286-A290 PolarHBondContact O-N 3.2Å; C288-A290 VanDerWaalsContact C-N 3.35Å; C288-A290 PolarHBondContact O-N 2.86Å; A290-F292 PolarHBondContact O-N 3.25Å; A290-F292 VanDerWaalsContact O-N 3.12Å; A290-M293 PolarHBondContact O-N 3.44Å; A290-D294 PolarHBondContact O-N 2.91Å; A290-D294 VanDerWaalsContact O-OD1 3.05Å; A290-M337 HydrophobicContact CB-CE 3.86Å; A290-P349 HydrophobicContact CB-CB 3.85Å; A290-P349 HydrophobicContact CB-CG 4.19Å
291A62.8Low73.8Confident10 Ų1030.2 Ų30.28%0.08315%0.152CC..Hα-helixtrans-60.5-23.8174.800000114.5F130 D287 C288 I289F130-A291 WeakPolarHBondContact CD2-O 3.28Å; F130-A291 WeakPolarHBondContact CE2-O 3.26Å; D287-A291 WeakPolarHBondContact O-CB 3.49Å; D287-A291 PolarHBondContact O-N 3.39Å; D287-A291 VanDerWaalsContact O-N 3.08Å; C288-A291 CarbonylContact O-C 3.55Å; C288-A291 WeakPolarHBondContact O-CB 3.49Å; C288-A291 PolarHBondContact O-N 2.87Å; C288-A291 VanDerWaalsContact O-N 3.14Å; I289-A291 VanDerWaalsContact C-N 3.31Å; I289-A291 PolarHBondContact O-N 3.44Å
292F61.6Low74Confident7 Ų735.1 Ų35.13%0.03117%0.174CC..Hα-helixtrans-98.1-15.7-177.8-51.6-20.2000113.6Y151 F154 V213 A216 C288 I289 A290Y151-F292 AromaticContact CD1-CD1 3.64Å; Y151-F292 HydrophobicContact CD1-CD1 3.64Å; Y151-F292 AromaticContact CD1-CE1 3.47Å; Y151-F292 HydrophobicContact CD1-CE1 3.47Å; Y151-F292 VanDerWaalsContact CD1-CE1 3.47Å; Y151-F292 HydrophobicContact CD1-CE2 4.31Å; Y151-F292 HydrophobicContact CD1-CG 4.26Å; Y151-F292 AromaticContact CD1-CZ 3.83Å; Y151-F292 HydrophobicContact CD1-CZ 3.83Å; Y151-F292 AromaticContact CD2-CD1 3.66Å; Y151-F292 HydrophobicContact CD2-CD1 3.66Å; Y151-F292 HydrophobicContact CD2-CE1 4.09Å; Y151-F292 HydrophobicContact CD2-CG 4.48Å; Y151-F292 AromaticContact CE1-CD1 3.62Å; Y151-F292 HydrophobicContact CE1-CD1 3.62Å; Y151-F292 AromaticContact CE1-CE1 3.03Å; Y151-F292 HydrophobicContact CE1-CE1 3.03Å; Y151-F292 HydrophobicContact CE1-CE2 4.4Å; Y151-F292 AromaticContact CE1-CZ 3.5Å; Y151-F292 HydrophobicContact CE1-CZ 3.5Å; Y151-F292 AromaticContact CE2-CD1 3.61Å; Y151-F292 HydrophobicContact CE2-CD1 3.61Å; Y151-F292 AromaticContact CE2-CE1 3.7Å; Y151-F292 HydrophobicContact CE2-CE1 3.7Å; Y151-F292 AromaticContact CG-CD1 3.67Å; Y151-F292 HydrophobicContact CG-CD1 3.67Å; Y151-F292 AromaticContact CG-CE1 4Å; Y151-F292 HydrophobicContact CG-CE1 4Å; Y151-F292 HydrophobicContact CG-CG 4.21Å; Y151-F292 AromaticContact CZ-CD1 3.61Å; Y151-F292 AromaticContact CZ-CE1 3.16Å; F154-F292 VanDerWaalsContact CE1-O 3.32Å; F154-F292 WeakPolarHBondContact CE1-O 3.38Å; V213-F292 HydrophobicContact CB-CE2 3.98Å; V213-F292 HydrophobicContact CG2-CD2 3.59Å; V213-F292 HydrophobicContact CG2-CE2 3.31Å; A216-F292 HydrophobicContact CB-CE2 4.32Å; A216-F292 HydrophobicContact CB-CZ 3.6Å; C288-F292 HydrophobicContact CB-CD2 4.27Å; C288-F292 HydrophobicContact CB-CE1 4.43Å; C288-F292 HydrophobicContact CB-CE2 3.48Å; C288-F292 VanDerWaalsContact CB-CE2 3.48Å; C288-F292 HydrophobicContact CB-CZ 3.53Å; C288-F292 WeakPolarHBondContact O-CD1 3.3Å; C288-F292 WeakPolarHBondContact O-CD2 3.34Å; C288-F292 WeakPolarHBondContact O-CE1 3.43Å; C288-F292 WeakPolarHBondContact O-CE2 3.46Å; C288-F292 WeakPolarHBondContact O-CG 3.35Å; C288-F292 WeakPolarHBondContact O-CZ 3.24Å; C288-F292 PolarHBondContact O-N 2.81Å; I289-F292 CarbonylContact O-C 3.55Å; I289-F292 WeakPolarHBondContact O-CA 3.36Å; I289-F292 PolarHBondContact O-N 2.95Å; A290-F292 PolarHBondContact O-N 3.25Å; A290-F292 VanDerWaalsContact O-N 3.12Å
293M59.3Low74.5Confident34 Ų3434.5 Ų34.517%0.16717%0.17CC..Hα-helixtrans-114.2-2.1-177.8-68.4-168.356.100113.2I289 A290 S333 H336 M337I289-M293 HydrophobicContact CG2-CB 4.42Å; I289-M293 HydrophobicContact CG2-CG 3.75Å; I289-M293 HydrophobicContact CG2-SD 3.34Å; I289-M293 WeakPolarHBondContact CG2-SD 3.38Å; I289-M293 VanDerWaalsContact O-CB 3.29Å; I289-M293 WeakPolarHBondContact O-CB 3.49Å; I289-M293 WeakPolarHBondContact O-CG 3.23Å; I289-M293 PolarHBondContact O-N 3.18Å; A290-M293 PolarHBondContact O-N 3.44Å; M293-S333 WeakPolarHBondContact CE-OG 3.16Å; M293-S333 PolarHBondContact O-OG 3.35Å; M293-S333 VanDerWaalsContact O-OG 3.09Å; M293-H336 HydrophobicContact CE-CB 4.12Å; M293-M337 HydrophobicContact CB-CG 4.36Å; M293-M337 HydrophobicContact CE-CG 3.86Å; M293-M337 HydrophobicContact SD-CG 4.06Å; M293-M337 HydrophobicContact SD-SD 3.97Å
294D61.2Low75.2Confident59 Ų5931.1 Ų31.132%0.31615%0.154SC..SBendtrans-51.1147.5167.5-76.5-24.4000110.1F130 A290 V296 K351F130-D294 HydrophobicContact CE1-CB 3.82Å; F130-D294 HydrophobicContact CE2-CB 4.45Å; F130-D294 HydrophobicContact CZ-CB 3.56Å; A290-D294 PolarHBondContact O-N 2.91Å; A290-D294 VanDerWaalsContact O-OD1 3.05Å; D294-V296 PolarHBondContact O-N 3.32Å; D294-K351 IonicContact OD2-NZ 3.79Å; D294-K351 PolarHBondContact OD2-NZ 3.31Å
295D68.3Low75.8Confident66 Ų6633 Ų3335%0.35317%0.17SC..  trans-67.7101.8178.6-172.8-20.4000109.8R297 E298 T299D295-R297 PolarHBondContact O-N 2.88Å; D295-R297 WeakPolarHBondContact OD1-CA 3.42Å; D295-R297 WeakPolarHBondContact OD1-CB 3.48Å; D295-R297 PolarHBondContact OD1-N 3.19Å; D295-E298 HydrophobicContact CB-CB 3.8Å; D295-E298 PolarHBondContact O-N 3.36Å; D295-E298 PolarHBondContact OD1-N 3.04Å; D295-T299 WeakPolarHBondContact O-CB 3.47Å; D295-T299 PolarHBondContact O-N 2.92Å; D295-T299 PolarHBondContact O-OG1 3.22Å
296V75.1Confident76.4Confident12 Ų1235.6 Ų35.67%0.07318%0.18CC..Hα-helixtrans-56.1-35.2177.4179.70000111.3F130 I137 D294 G300F130-V296 HydrophobicContact CE2-CG2 4.13Å; F130-V296 HydrophobicContact CZ-CG2 4.19Å; I137-V296 HydrophobicContact CB-CG1 4.38Å; I137-V296 HydrophobicContact CD1-CG1 3.93Å; I137-V296 HydrophobicContact CG2-CG1 4.34Å; D294-V296 PolarHBondContact O-N 3.32Å; V296-G300 PolarHBondContact O-N 3.39Å
297R73.4Confident77.2Confident74 Ų7435.9 Ų35.928%0.27918%0.181SC..Hα-helixtrans-76.5-44.1-179.6-69.2-176.6173.7-130.2-6.3111.7M166 D295 G300 L301M166-R297 HydrophobicContact CE-CG 4.02Å; D295-R297 PolarHBondContact O-N 2.88Å; D295-R297 WeakPolarHBondContact OD1-CA 3.42Å; D295-R297 WeakPolarHBondContact OD1-CB 3.48Å; D295-R297 PolarHBondContact OD1-N 3.19Å; R297-G300 PolarHBondContact O-N 3.38Å; R297-L301 WeakPolarHBondContact O-CB 3.29Å; R297-L301 PolarHBondContact O-N 2.91Å
298E79Confident78Confident131 Ų13139.5 Ų39.561%0.61221%0.207SC*.Hα-helixtrans-62.4-46.7176.5-172.1174.9-168.700110.5D295 G300 L301 E302D295-E298 HydrophobicContact CB-CB 3.8Å; D295-E298 PolarHBondContact O-N 3.36Å; D295-E298 PolarHBondContact OD1-N 3.04Å; E298-G300 PolarHBondContact O-N 3.36Å; E298-L301 PolarHBondContact O-N 3.43Å; E298-E302 PolarHBondContact O-N 3.5Å
299T80.6Confident78.7Confident22 Ų2241.5 Ų41.514%0.13522%0.217CC..Hα-helixtrans-60.9-46.3176-53.20000111.1F130 D295 L301 E302 I303F130-T299 HydrophobicContact CD1-CG2 4.21Å; F130-T299 HydrophobicContact CE1-CG2 3.8Å; D295-T299 WeakPolarHBondContact O-CB 3.47Å; D295-T299 PolarHBondContact O-N 2.92Å; D295-T299 PolarHBondContact O-OG1 3.22Å; T299-L301 VanDerWaalsContact C-N 3.33Å; T299-L301 PolarHBondContact O-N 3.41Å; T299-E302 PolarHBondContact O-N 3.29Å; T299-I303 HydrophobicContact CG2-CD1 3.8Å; T299-I303 WeakPolarHBondContact O-CD1 3.4Å; T299-I303 VanDerWaalsContact O-CG1 3.25Å; T299-I303 WeakPolarHBondContact O-CG1 3.16Å; T299-I303 PolarHBondContact O-N 2.98Å
300G86.9Confident78.9Confident0 Ų044.1 Ų44.10%023%0.234CC..Hα-helixtrans-60.2-40.7176.800000112.9V296 R297 E298 A304V296-G300 PolarHBondContact O-N 3.39Å; R297-G300 PolarHBondContact O-N 3.38Å; E298-G300 PolarHBondContact O-N 3.36Å; G300-A304 WeakPolarHBondContact O-CB 3.43Å; G300-A304 PolarHBondContact O-N 3.37Å
301L86.7Confident78.1Confident72 Ų7248.1 Ų48.138%0.37725%0.254SS..Hα-helixtrans-66.2-44175.7175.868.7000112.1Y138 R297 E298 T299 I303 A304 S305 V310Y138-L301 HydrophobicContact CD2-CB 4.47Å; Y138-L301 HydrophobicContact CE2-CB 3.91Å; Y138-L301 HydrophobicContact CE2-CD1 4.22Å; Y138-L301 WeakPolarHBondContact OH-CD1 3.33Å; R297-L301 WeakPolarHBondContact O-CB 3.29Å; R297-L301 PolarHBondContact O-N 2.91Å; E298-L301 PolarHBondContact O-N 3.43Å; T299-L301 VanDerWaalsContact C-N 3.33Å; T299-L301 PolarHBondContact O-N 3.41Å; L301-I303 VanDerWaalsContact C-N 3.33Å; L301-I303 PolarHBondContact O-N 2.95Å; L301-A304 PolarHBondContact O-N 3.41Å; L301-S305 VanDerWaalsContact O-CB 3.31Å; L301-S305 WeakPolarHBondContact O-CB 3.37Å; L301-S305 PolarHBondContact O-N 3.45Å; L301-S305 PolarHBondContact O-OG 3.31Å; L301-V310 HydrophobicContact CD1-CG1 4.22Å; L301-V310 HydrophobicContact CD1-CG2 3.83Å
302E88.1Confident77.4Confident108 Ų10853.9 Ų53.951%0.50529%0.294SS..Hα-helixtrans-57.5-49.1177.4-175.3-170.315500110.4E298 T299 S305 Y306E298-E302 PolarHBondContact O-N 3.5Å; T299-E302 PolarHBondContact O-N 3.29Å; E302-S305 WeakPolarHBondContact O-CB 3.3Å; E302-S305 PolarHBondContact O-N 3.33Å; E302-Y306 PolarHBondContact O-N 3.47Å
303I91.6Very high76.4Confident5 Ų558.1 Ų58.13%0.02632%0.324CS..Hα-helixtrans-68.7-41.5-179.5-60.2166.5000111.1I81 M122 D131 L135 T299 L301 S305 Y306 F307I81-I303 HydrophobicContact CD1-CG2 4.17Å; M122-I303 HydrophobicContact CE-CB 4.42Å; M122-I303 HydrophobicContact CE-CD1 4.11Å; M122-I303 HydrophobicContact CE-CG1 3.84Å; M122-I303 HydrophobicContact CE-CG2 3.78Å; M122-I303 HydrophobicContact SD-CG2 3.86Å; D131-I303 HydrophobicContact CB-CD1 3.48Å; D131-I303 VanDerWaalsContact CB-CD1 3.48Å; D131-I303 WeakPolarHBondContact O-CD1 3.47Å; L135-I303 HydrophobicContact CB-CG2 4.2Å; L135-I303 HydrophobicContact CD1-CB 4.2Å; L135-I303 HydrophobicContact CD1-CG2 3.93Å; L135-I303 HydrophobicContact CD2-CG2 3.75Å; L135-I303 HydrophobicContact CG-CG2 4.17Å; T299-I303 HydrophobicContact CG2-CD1 3.8Å; T299-I303 WeakPolarHBondContact O-CD1 3.4Å; T299-I303 VanDerWaalsContact O-CG1 3.25Å; T299-I303 WeakPolarHBondContact O-CG1 3.16Å; T299-I303 PolarHBondContact O-N 2.98Å; L301-I303 VanDerWaalsContact C-N 3.33Å; L301-I303 PolarHBondContact O-N 2.95Å; I303-S305 PolarHBondContact O-N 2.88Å; I303-Y306 WeakPolarHBondContact O-CB 3.33Å; I303-Y306 PolarHBondContact O-N 2.93Å; I303-F307 HydrophobicContact CG2-CD2 3.82Å; I303-F307 HydrophobicContact CG2-CE2 3.68Å; I303-F307 WeakPolarHBondContact O-CD2 3.43Å; I303-F307 PolarHBondContact O-N 2.93Å
304A92.2Very high75.1Confident0 Ų059.9 Ų59.90%034%0.34CS..Hα-helixtrans-62.1-35.2175.100000111.6L135 Y138 L139 G300 L301 F307 C308 L309 V310L135-A304 HydrophobicContact CD1-CB 3.88Å; Y138-A304 HydrophobicContact CD1-CB 3.76Å; Y138-A304 HydrophobicContact CE1-CB 3.56Å; L139-A304 HydrophobicContact CD2-CB 4.48Å; G300-A304 WeakPolarHBondContact O-CB 3.43Å; G300-A304 PolarHBondContact O-N 3.37Å; L301-A304 PolarHBondContact O-N 3.41Å; A304-F307 CarbonylContact O-C 3.59Å; A304-F307 PolarHBondContact O-N 3.49Å; A304-C308 PolarHBondContact O-N 3.29Å; A304-L309 HydrophobicContact CB-CB 4.37Å; A304-L309 WeakPolarHBondContact O-CB 3.36Å; A304-L309 PolarHBondContact O-N 2.93Å; A304-V310 HydrophobicContact CB-CG2 3.73Å
305S90.6Very high73.8Confident56 Ų5664.5 Ų64.539%0.39237%0.365SS..Hα-helixtrans-68.3-40.6175-57.40000111.4L301 E302 I303 F307 C308L301-S305 VanDerWaalsContact O-CB 3.31Å; L301-S305 WeakPolarHBondContact O-CB 3.37Å; L301-S305 PolarHBondContact O-N 3.45Å; L301-S305 PolarHBondContact O-OG 3.31Å; E302-S305 WeakPolarHBondContact O-CB 3.3Å; E302-S305 PolarHBondContact O-N 3.33Å; I303-S305 PolarHBondContact O-N 2.88Å; S305-F307 VanDerWaalsContact C-N 3.32Å; S305-F307 PolarHBondContact O-N 3.16Å; S305-C308 WeakPolarHBondContact O-CA 3.21Å; S305-C308 PolarHBondContact O-N 3.5Å
306Y91Very high72.4Confident54 Ų5464.2 Ų64.221%0.21237%0.365CS..Hα-helixtrans-56.6-46.3172.4179.5-92.4000111.5M122 E302 I303 C308 E364 R367 K368M122-Y306 HydrophobicContact CB-CD1 4.07Å; M122-Y306 HydrophobicContact CB-CE1 3.58Å; M122-Y306 HydrophobicContact CG-CE1 4.48Å; M122-Y306 HydrophobicContact SD-CD1 3.83Å; M122-Y306 HydrophobicContact SD-CE1 4.28Å; M122-Y306 HydrophobicContact SD-CG 4.35Å; E302-Y306 PolarHBondContact O-N 3.47Å; I303-Y306 WeakPolarHBondContact O-CB 3.33Å; I303-Y306 PolarHBondContact O-N 2.93Å; Y306-C308 PolarHBondContact O-N 3.32Å; Y306-C308 VanDerWaalsContact O-N 3.15Å; Y306-E364 WeakPolarHBondContact CE2-OE1 3.39Å; Y306-E364 PolarHBondContact OH-OE2 2.91Å; Y306-R367 HydrophobicContact CE2-CB 4.18Å; Y306-R367 HydrophobicContact CE2-CG 3.98Å; Y306-R367 WeakPolarHBondContact OH-CB 3.42Å; Y306-K368 WeakPolarHBondContact OH-CE 3.11Å
307F91.8Very high70.5Confident11 Ų1167.5 Ų67.55%0.04839%0.386CS..THydrogen-bonded Turntrans-756.7175.2-71-55000114.5I81 E120 M122 L135 I303 A304 S305 L309I81-F307 HydrophobicContact CD1-CE2 4.44Å; I81-F307 HydrophobicContact CG1-CE2 4.44Å; E120-F307 HydrophobicContact CB-CD1 3.7Å; E120-F307 HydrophobicContact CB-CE1 3.84Å; E120-F307 HydrophobicContact CG-CD1 4.35Å; M122-F307 HydrophobicContact CB-CE1 4.34Å; M122-F307 HydrophobicContact CB-CZ 4.05Å; M122-F307 HydrophobicContact CG-CE1 4.48Å; M122-F307 HydrophobicContact CG-CE2 4.22Å; M122-F307 HydrophobicContact CG-CZ 3.72Å; M122-F307 HydrophobicContact SD-CE2 4.19Å; M122-F307 HydrophobicContact SD-CZ 4.2Å; L135-F307 HydrophobicContact CD2-CD2 3.87Å; L135-F307 HydrophobicContact CD2-CE2 3.73Å; I303-F307 HydrophobicContact CG2-CD2 3.82Å; I303-F307 HydrophobicContact CG2-CE2 3.68Å; I303-F307 WeakPolarHBondContact O-CD2 3.43Å; I303-F307 PolarHBondContact O-N 2.93Å; A304-F307 CarbonylContact O-C 3.59Å; A304-F307 PolarHBondContact O-N 3.49Å; S305-F307 VanDerWaalsContact C-N 3.32Å; S305-F307 PolarHBondContact O-N 3.16Å; F307-L309 HydrophobicContact CB-CD1 3.83Å; F307-L309 HydrophobicContact CB-CG 3.75Å; F307-L309 PolarHBondContact O-N 3.17Å; F307-L309 VanDerWaalsContact O-N 3.1Å
308C89Confident68.6Low100 Ų10072.4 Ų72.468%0.67641%0.41SS*.THydrogen-bonded Turntrans54.228.8-177.7-60.30000113.6A304 S305 Y306 V310A304-C308 PolarHBondContact O-N 3.29Å; S305-C308 WeakPolarHBondContact O-CA 3.21Å; S305-C308 PolarHBondContact O-N 3.5Å; Y306-C308 PolarHBondContact O-N 3.32Å; Y306-C308 VanDerWaalsContact O-N 3.15Å; C308-V310 VanDerWaalsContact C-N 3.32Å
309L85.6Confident66.3Low41 Ų4174.2 Ų74.222%0.21542%0.424CS..  trans-83.3-15.5177.5-58.9173.8000112L79 L139 A304 F307 N311L79-L309 HydrophobicContact CD1-CD1 3.6Å; L139-L309 HydrophobicContact CD1-CD1 3.66Å; L139-L309 HydrophobicContact CD2-CD1 4.14Å; A304-L309 HydrophobicContact CB-CB 4.37Å; A304-L309 WeakPolarHBondContact O-CB 3.36Å; A304-L309 PolarHBondContact O-N 2.93Å; F307-L309 HydrophobicContact CB-CD1 3.83Å; F307-L309 HydrophobicContact CB-CG 3.75Å; F307-L309 PolarHBondContact O-N 3.17Å; F307-L309 VanDerWaalsContact O-N 3.1Å; L309-N311 PolarHBondContact O-N 3.23Å
310V74.7Confident64.3Low58 Ų5880 Ų8035%0.35245%0.447SS..  trans-92.691.7176.5-173.70000108.5L301 A304 C308 S312L301-V310 HydrophobicContact CD1-CG1 4.22Å; L301-V310 HydrophobicContact CD1-CG2 3.83Å; A304-V310 HydrophobicContact CB-CG2 3.73Å; C308-V310 VanDerWaalsContact C-N 3.32Å; V310-S312 PolarHBondContact O-N 3.1Å
311N51.2Low61.8Low90 Ų9083 Ų8348%0.48146%0.463SS..  trans-73.8124.7170.4-82.6-24.8000109.9L309 S313 S314L309-N311 PolarHBondContact O-N 3.23Å; N311-S313 PolarHBondContact O-N 3.3Å; N311-S313 VanDerWaalsContact O-N 3.1Å; N311-S314 WeakPolarHBondContact CB-O 3.35Å; N311-S314 PolarHBondContact ND2-O 2.88Å; N311-S314 PolarHBondContact ND2-OG 3.06Å; N311-S314 VanDerWaalsContact ND2-OG 3.1Å
312S47.3Very low59.1Low131 Ų13183.6 Ų83.692%0.91647%0.466SS*.SBendtrans-58.7-17.2164.750.50000112.3V310V310-S312 PolarHBondContact O-N 3.1Å
313S40.8Very low56.1Low97 Ų9787.1 Ų87.168%0.67848%0.482SS*.SBendtrans-158.9105165.857.50000110.7N311N311-S313 PolarHBondContact O-N 3.3Å; N311-S313 VanDerWaalsContact O-N 3.1Å
314S31.6Very low53.7Low70 Ų7092 Ų9249%0.4951%0.507SS..SBendtrans134.1135.1157.568.80000116.7N311 V316N311-S314 WeakPolarHBondContact CB-O 3.35Å; N311-S314 PolarHBondContact ND2-O 2.88Å; N311-S314 PolarHBondContact ND2-OG 3.06Å; N311-S314 VanDerWaalsContact ND2-OG 3.1Å; S314-V316 PolarHBondContact O-N 3.28Å
315N35.1Very low50.7Low157 Ų15796 Ų9684%0.8454%0.535SS*.  trans68.120.7147.9-64-0.1000123.2
316V38.3Very low48.1Very low59 Ų59103.8 Ų103.836%0.35856%0.562SS.*SBendtrans-83.4134.3138.2-174.60000106.1S314 K318 L321S314-V316 PolarHBondContact O-N 3.28Å; V316-K318 PolarHBondContact O-N 3.01Å; V316-L321 HydrophobicContact CB-CD1 3.63Å; V316-L321 HydrophobicContact CB-CG 4.39Å; V316-L321 HydrophobicContact CG1-CD1 3.53Å; V316-L321 HydrophobicContact CG1-CD2 4.41Å; V316-L321 HydrophobicContact CG1-CG 3.73Å; V316-L321 HydrophobicContact CG2-CD1 4.25Å
317P35.4Very low45.5Very low81 Ų81110.5 Ų110.553%0.52659%0.592SS.*  trans-52.3110175.2-21.230.5000108.3D319 K320P317-D319 PolarHBondContact O-N 3.29Å; P317-K320 PolarHBondContact O-N 3.38Å
318K33.2Very low42.7Very low178 Ų178113.9 Ų113.977%0.77461%0.614SS**THydrogen-bonded Turntrans-55.7-25.5178.3-79.2-173.3172.8-172.10111.3V316 K320 L321V316-K318 PolarHBondContact O-N 3.01Å; K318-K320 PolarHBondContact O-N 3.12Å; K318-L321 PolarHBondContact O-N 3.17Å
319D31.7Very low40.5Very low168 Ų168112.7 Ų112.790%0.89860%0.601SS**THydrogen-bonded Turntrans-68.7-9.3175.9-61.8-21000114.3P317P317-D319 PolarHBondContact O-N 3.29Å
320K37Very low38.1Very low143 Ų143113.5 Ų113.562%0.62261%0.613SS**THydrogen-bonded Turntrans-109.2-21.6174.4-75.9-170.4176.6-175.40114.7P317 K318 I322P317-K320 PolarHBondContact O-N 3.38Å; K318-K320 PolarHBondContact O-N 3.12Å; K320-I322 PolarHBondContact O-N 3.01Å
321L34.1Very low36Very low63 Ų63113.5 Ų113.533%0.3362%0.616SS.*SBendtrans-89105.4174.6-70.9172.6000108.4V316 K318 E323V316-L321 HydrophobicContact CB-CD1 3.63Å; V316-L321 HydrophobicContact CB-CG 4.39Å; V316-L321 HydrophobicContact CG1-CD1 3.53Å; V316-L321 HydrophobicContact CG1-CD2 4.41Å; V316-L321 HydrophobicContact CG1-CG 3.73Å; V316-L321 HydrophobicContact CG2-CD1 4.25Å; K318-L321 PolarHBondContact O-N 3.17Å; L321-E323 PolarHBondContact O-N 3.34Å
322I30Very low35.3Very low86 Ų86111.7 Ų111.744%0.44161%0.608SS.*  trans-52.3113.9178.2-59.4178.3000109.3I165 K320 I324I165-I322 HydrophobicContact CG2-CD1 3.32Å; K320-I322 PolarHBondContact O-N 3.01Å; I322-I324 HydrophobicContact CG2-CG1 4.39Å; I322-I324 WeakPolarHBondContact O-CG1 3.49Å; I322-I324 PolarHBondContact O-N 3.19Å
323E26.8Very low35.1Very low182 Ų182106.9 Ų106.985%0.8557%0.574SS**  trans-63.5124.8167.5-90.9-175.8158.400109L321L321-E323 PolarHBondContact O-N 3.34Å
324I40.6Very low35.2Very low106 Ų106107.3 Ų107.354%0.54457%0.568SS.*  trans-107.9130.9-174-62173.5000111.3I322I322-I324 HydrophobicContact CG2-CG1 4.39Å; I322-I324 WeakPolarHBondContact O-CG1 3.49Å; I322-I324 PolarHBondContact O-N 3.19Å
325S29.8Very low35.9Very low84 Ų84108.6 Ų108.659%0.58757%0.566SS**  trans-71.9124.7157.862.20000110K327S325-K327 PolarHBondContact O-N 3.35Å
326K36.1Very low36.7Very low220 Ų220104.9 Ų104.996%0.95754%0.544SS*.THydrogen-bonded Turntrans-57.318.8-177.8-72.3-175.6172.6-177.60117.4
327K36Very low37.4Very low195 Ų195102.9 Ų102.985%0.84853%0.531SS*.THydrogen-bonded Turntrans-119.37-169-106.6-174.3178-176.60116.8S325S325-K327 PolarHBondContact O-N 3.35Å
328T32.6Very low38.5Very low82 Ų82103.1 Ų103.150%0.50353%0.528SS..SBendtrans-110.4103.9-175.143.40000113.5A330T328-A330 PolarHBondContact O-N 2.97Å
329D42.5Very low39.8Very low76 Ų76101.5 Ų101.541%0.40652%0.517SS..  69.914.9125.5-61.3-19.2000123.4S331 V332D329-S331 PolarHBondContact O-N 3.48Å; D329-V332 HydrophobicContact CB-CG2 4.09Å; D329-V332 PolarHBondContact O-N 3.07Å
330A35.9Very low41.1Very low58 Ų5893.9 Ų93.948%0.47948%0.476SS..Hα-helixtrans-51.2-23.2155.600000112.6T328 V332T328-A330 PolarHBondContact O-N 2.97Å; A330-V332 VanDerWaalsContact C-N 3.31Å; A330-V332 PolarHBondContact O-N 3.47Å
331S30.4Very low42.4Very low57 Ų5788.2 Ų88.240%0.39945%0.452SS..Hα-helixtrans-63.4-24.617552.70000115.2D329 Q335D329-S331 PolarHBondContact O-N 3.48Å; S331-Q335 VanDerWaalsContact O-CB 3.3Å; S331-Q335 WeakPolarHBondContact O-CB 3.31Å; S331-Q335 WeakPolarHBondContact O-CG 3.3Å; S331-Q335 PolarHBondContact O-N 3.24Å; S331-Q335 VanDerWaalsContact O-N 3.1Å
332V36.6Very low43.8Very low53 Ų5390.7 Ų90.732%0.32147%0.466SS..Hα-helixtrans-80.5-39.6-175.3-1780000111.9D329 A330 Q335 H336D329-V332 HydrophobicContact CB-CG2 4.09Å; D329-V332 PolarHBondContact O-N 3.07Å; A330-V332 VanDerWaalsContact C-N 3.31Å; A330-V332 PolarHBondContact O-N 3.47Å; V332-Q335 PolarHBondContact O-N 3.28Å; V332-H336 PolarHBondContact O-N 2.87Å; V332-H336 PolarHBondContact O-ND1 3.25Å; V332-H336 VanDerWaalsContact O-ND1 3.17Å
333S42.8Very low45.2Very low30 Ų3091.8 Ų91.821%0.2147%0.469CS..Hα-helixtrans-64.9-46.5174.8-175.20000111.6M293 Q335 H336 M337M293-S333 WeakPolarHBondContact CE-OG 3.16Å; M293-S333 PolarHBondContact O-OG 3.35Å; M293-S333 VanDerWaalsContact O-OG 3.09Å; S333-Q335 PolarHBondContact O-N 3.48Å; S333-H336 PolarHBondContact O-N 3.26Å; S333-M337 PolarHBondContact O-N 3.09Å
334L41.8Very low46.8Very low106 Ų10684.4 Ų84.456%0.55544%0.435SS*.Hα-helixtrans-60.6-43.8176.3-72.2167.1000111.8H336 M337 D338L334-H336 VanDerWaalsContact C-N 3.33Å; L334-H336 PolarHBondContact O-N 2.81Å; L334-M337 PolarHBondContact O-N 2.84Å; L334-D338 WeakPolarHBondContact O-CB 3.41Å; L334-D338 VanDerWaalsContact O-CG 3.22Å; L334-D338 PolarHBondContact O-N 3.15Å
335Q46.9Very low47.4Very low96 Ų9686.6 Ų86.645%0.44945%0.448SS..Hα-helixtrans-62.5-36.2177-80.5175.626.900113.5S331 V332 S333 R339S331-Q335 VanDerWaalsContact O-CB 3.3Å; S331-Q335 WeakPolarHBondContact O-CB 3.31Å; S331-Q335 WeakPolarHBondContact O-CG 3.3Å; S331-Q335 PolarHBondContact O-N 3.24Å; S331-Q335 VanDerWaalsContact O-N 3.1Å; V332-Q335 PolarHBondContact O-N 3.28Å; S333-Q335 PolarHBondContact O-N 3.48Å; Q335-R339 WeakPolarHBondContact O-CB 3.32Å; Q335-R339 WeakPolarHBondContact O-CG 3.48Å; Q335-R339 PolarHBondContact O-N 3.12Å
336H52.1Low48.6Very low79 Ų7983.9 Ų83.937%0.36643%0.431SS..Hα-helixtrans-70.6-41.8176.2-72.2137.9000111.9Q157 M293 V332 S333 L334 R339 L340Q157-H336 PolarHBondContact NE2-ND1 3.33Å; M293-H336 HydrophobicContact CE-CB 4.12Å; V332-H336 PolarHBondContact O-N 2.87Å; V332-H336 PolarHBondContact O-ND1 3.25Å; V332-H336 VanDerWaalsContact O-ND1 3.17Å; S333-H336 PolarHBondContact O-N 3.26Å; L334-H336 VanDerWaalsContact C-N 3.33Å; L334-H336 PolarHBondContact O-N 2.81Å; H336-R339 PolarHBondContact O-N 2.84Å; H336-L340 WeakPolarHBondContact O-CB 3.25Å; H336-L340 PolarHBondContact O-N 3.43Å
337M53.6Low49.3Very low18 Ų1881.9 Ų81.99%0.08942%0.422CS..Hα-helixtrans-63-48.1173.8-81.6-66.9-80.600111.8I289 A290 M293 S333 L334 R339 L340 I341I289-M337 HydrophobicContact CB-SD 4.28Å; I289-M337 HydrophobicContact CG2-CE 4.31Å; I289-M337 HydrophobicContact CG2-SD 3.35Å; I289-M337 WeakPolarHBondContact CG2-SD 3.42Å; A290-M337 HydrophobicContact CB-CE 3.86Å; M293-M337 HydrophobicContact CB-CG 4.36Å; M293-M337 HydrophobicContact CE-CG 3.86Å; M293-M337 HydrophobicContact SD-CG 4.06Å; M293-M337 HydrophobicContact SD-SD 3.97Å; S333-M337 PolarHBondContact O-N 3.09Å; L334-M337 PolarHBondContact O-N 2.84Å; M337-R339 VanDerWaalsContact C-N 3.32Å; M337-R339 PolarHBondContact O-N 3.1Å; M337-L340 PolarHBondContact O-N 2.69Å; M337-L340 VanDerWaalsContact O-N 3.11Å; M337-I341 HydrophobicContact CB-CD1 4.49Å; M337-I341 HydrophobicContact CE-CD1 4.28Å; M337-I341 WeakPolarHBondContact O-CB 3.36Å; M337-I341 VanDerWaalsContact O-CG1 3.23Å; M337-I341 WeakPolarHBondContact O-CG1 3.41Å; M337-I341 PolarHBondContact O-N 3.12Å
338D59Low50Low85 Ų8580.6 Ų80.646%0.45542%0.419SS..Hα-helixtrans-59.3-44.1177.6-72.5-26.7000111L334 L340 N342L334-D338 WeakPolarHBondContact O-CB 3.41Å; L334-D338 VanDerWaalsContact O-CG 3.22Å; L334-D338 PolarHBondContact O-N 3.15Å; D338-L340 VanDerWaalsContact C-N 3.35Å; D338-L340 PolarHBondContact O-N 3.07Å; D338-N342 WeakPolarHBondContact O-CB 3.15Å; D338-N342 PolarHBondContact O-N 2.84Å; D338-N342 PolarHBondContact O-ND2 2.69Å
339R58.5Low50.9Low144 Ų14478.8 Ų78.854%0.54341%0.409SS..Hα-helixtrans-60.2-44.1174.4-77.9176.7-168.7175.77.8111.9Q335 H336 M337 Q343Q335-R339 WeakPolarHBondContact O-CB 3.32Å; Q335-R339 WeakPolarHBondContact O-CG 3.48Å; Q335-R339 PolarHBondContact O-N 3.12Å; H336-R339 PolarHBondContact O-N 2.84Å; M337-R339 VanDerWaalsContact C-N 3.32Å; M337-R339 PolarHBondContact O-N 3.1Å; R339-Q343 WeakPolarHBondContact O-CB 3.36Å; R339-Q343 WeakPolarHBondContact O-CG 3.34Å; R339-Q343 PolarHBondContact O-N 2.87Å
340L60.5Low51.2Low8 Ų879 Ų794%0.04241%0.41CS..Hα-helixtrans-70.7-42.6-177.8-156.4121000111.7Y262 V263 L286 I289 H336 M337 D338 Q343 L344Y262-L340 HydrophobicContact CD1-CD1 3.69Å; Y262-L340 HydrophobicContact CE1-CD1 3.62Å; V263-L340 HydrophobicContact CG2-CD1 4.16Å; L286-L340 HydrophobicContact CD2-CD2 3.78Å; I289-L340 HydrophobicContact CD1-CD2 3.52Å; H336-L340 WeakPolarHBondContact O-CB 3.25Å; H336-L340 PolarHBondContact O-N 3.43Å; M337-L340 PolarHBondContact O-N 2.69Å; M337-L340 VanDerWaalsContact O-N 3.11Å; D338-L340 VanDerWaalsContact C-N 3.35Å; D338-L340 PolarHBondContact O-N 3.07Å; L340-Q343 PolarHBondContact O-N 2.87Å; L340-L344 HydrophobicContact CD2-CD1 3.45Å; L340-L344 VanDerWaalsContact CD2-CD1 3.45Å; L340-L344 HydrophobicContact CG-CD1 3.89Å; L340-L344 WeakPolarHBondContact O-CB 3.25Å; L340-L344 WeakPolarHBondContact O-CG 3.11Å; L340-L344 PolarHBondContact O-N 3.47Å
341I62.9Low52.2Low24 Ų2479.7 Ų79.712%0.12340%0.402CS..Hα-helixtrans-61.1-47.6173.9-68.9166.4000110.1L286 M337 L344 N345 A346L286-I341 HydrophobicContact CD2-CG1 4.06Å; M337-I341 HydrophobicContact CB-CD1 4.49Å; M337-I341 HydrophobicContact CE-CD1 4.28Å; M337-I341 WeakPolarHBondContact O-CB 3.36Å; M337-I341 VanDerWaalsContact O-CG1 3.23Å; M337-I341 WeakPolarHBondContact O-CG1 3.41Å; M337-I341 PolarHBondContact O-N 3.12Å; I341-L344 PolarHBondContact O-N 3.33Å; I341-N345 PolarHBondContact O-N 3.46Å; I341-A346 PolarHBondContact O-N 3.43Å
342N63.7Low53.8Low115 Ų11580.5 Ų80.562%0.61541%0.407SS*.Hα-helixtrans-64.2-39.4178-72.5-34.2000111.9D338D338-N342 WeakPolarHBondContact O-CB 3.15Å; D338-N342 PolarHBondContact O-N 2.84Å; D338-N342 PolarHBondContact O-ND2 2.69Å
343Q59.9Low55.7Low109 Ų10981.5 Ų81.551%0.50941%0.411SS..Hα-helixtrans-74-32.7178.2-76.4175.7-18.100112.9R339 L340R339-Q343 WeakPolarHBondContact O-CB 3.36Å; R339-Q343 WeakPolarHBondContact O-CG 3.34Å; R339-Q343 PolarHBondContact O-N 2.87Å; L340-Q343 PolarHBondContact O-N 2.87Å
344L60.9Low57.5Low27 Ų2780.7 Ų80.714%0.14140%0.404CS..Hα-helixtrans-86.4-2.7178.1-66.1174.1000113.6I270 T282 L286 L340 I341 A346I270-L344 HydrophobicContact CD1-CD2 3.66Å; T282-L344 HydrophobicContact CG2-CB 4.12Å; T282-L344 HydrophobicContact CG2-CD1 4.4Å; L286-L344 HydrophobicContact CD2-CD1 4.03Å; L286-L344 HydrophobicContact CG-CD1 4.37Å; L340-L344 HydrophobicContact CD2-CD1 3.45Å; L340-L344 VanDerWaalsContact CD2-CD1 3.45Å; L340-L344 HydrophobicContact CG-CD1 3.89Å; L340-L344 WeakPolarHBondContact O-CB 3.25Å; L340-L344 WeakPolarHBondContact O-CG 3.11Å; L340-L344 PolarHBondContact O-N 3.47Å; I341-L344 PolarHBondContact O-N 3.33Å; L344-A346 VanDerWaalsContact C-N 3.27Å; L344-A346 PolarHBondContact O-N 3.08Å
345N53.8Low59.7Low152 Ų15275.8 Ų75.881%0.81338%0.378SS*.THydrogen-bonded Turntrans48.844.1-178.7-82.6-32.6000113.4I341I341-N345 PolarHBondContact O-N 3.46Å
346A53.6Low61.4Low28 Ų2877.9 Ų77.923%0.23139%0.388CS..PPolyproline II helixtrans-99.9157.4-176.500000113.1T282 L286 I341 L344T282-A346 HydrophobicContact CG2-CB 4.42Å; L286-A346 HydrophobicContact CD1-CB 3.02Å; I341-A346 PolarHBondContact O-N 3.43Å; L344-A346 VanDerWaalsContact C-N 3.27Å; L344-A346 PolarHBondContact O-N 3.08Å
347K52.3Low62.9Low177 Ų17778.2 Ų78.277%0.7739%0.392SS*.PPolyproline II helixtrans-65150.5165.4-67.4-178.4179.81780109.1
348Q50.5Low64.6Low168 Ų16878.1 Ų78.179%0.78539%0.391SS*.PPolyproline II helixtrans-49.5143175.5-73.7-166-11.400111.2
349P50.3Low66.1Low44 Ų4476.9 Ų76.929%0.28639%0.387SS..PPolyproline II helixtrans-56.3139.9179.921-30.8000111.3A290 K351A290-P349 HydrophobicContact CB-CB 3.85Å; A290-P349 HydrophobicContact CB-CG 4.19Å; P349-K351 VanDerWaalsContact C-N 3.25Å; P349-K351 PolarHBondContact O-N 3.24Å
350I49.5Very low67.6Low82 Ų8276.5 Ų76.542%0.42140%0.395SS..SBendtrans-83.79.9-166.3-55.1156.7000112.3S352I350-S352 PolarHBondContact O-N 2.93Å
351K56.3Low69Low72 Ų7280.8 Ų80.831%0.31342%0.418SS..  trans-71.158.6168.3-78.9-164.9-175.6-179.80110.2Y126 D294 P349 N353Y126-K351 HydrophobicContact CD2-CD 4.38Å; Y126-K351 HydrophobicContact CD2-CG 4.33Å; Y126-K351 HydrophobicContact CE2-CB 4.3Å; Y126-K351 HydrophobicContact CE2-CD 4.46Å; Y126-K351 HydrophobicContact CE2-CG 4.06Å; D294-K351 IonicContact OD2-NZ 3.79Å; D294-K351 PolarHBondContact OD2-NZ 3.31Å; P349-K351 VanDerWaalsContact C-N 3.25Å; P349-K351 PolarHBondContact O-N 3.24Å; K351-N353 PolarHBondContact O-N 3.13Å
352S64.6Low70.4Confident74 Ų7479.7 Ų79.752%0.51741%0.413SS..  trans-69.112116157.40000107Y126 I350 F354Y126-S352 PolarHBondContact OH-O 2.85Å; I350-S352 PolarHBondContact O-N 2.93Å; S352-F354 VanDerWaalsContact C-N 3.32Å; S352-F354 PolarHBondContact O-N 2.91Å
353N75.6Confident71.8Confident73 Ų7376.1 Ų76.139%0.3939%0.393SS..  trans-57.797.9169.9179.2-1000108.9L125 K351 A355 H356L125-N353 VanDerWaalsContact CD1-OD1 3.32Å; L125-N353 WeakPolarHBondContact CD1-OD1 3.43Å; K351-N353 PolarHBondContact O-N 3.13Å; N353-A355 PolarHBondContact O-N 3.38Å; N353-A355 WeakPolarHBondContact OD1-CA 3.42Å; N353-A355 WeakPolarHBondContact OD1-CB 2.71Å; N353-A355 PolarHBondContact OD1-N 2.9Å; N353-H356 HydrophobicContact CB-CB 4.3Å; N353-H356 VanDerWaalsContact O-CB 3.28Å; N353-H356 WeakPolarHBondContact O-CB 3.5Å; N353-H356 PolarHBondContact O-N 3.45Å; N353-H356 VanDerWaalsContact O-N 3.1Å; N353-H356 PolarHBondContact OD1-N 3.34Å
354F82.3Confident73.4Confident14 Ų1474.5 Ų74.56%0.06139%0.386CS..THydrogen-bonded Turntrans-66-18.2-17860.9-98.5000112C85 L125 Y126 S352 W358 Y366 I376C85-F354 HydrophobicContact CB-CE1 4.25Å; L125-F354 HydrophobicContact CB-CE1 4.05Å; L125-F354 HydrophobicContact CB-CZ 4.21Å; L125-F354 HydrophobicContact CD2-CE1 4.25Å; L125-F354 HydrophobicContact CD2-CE2 4.15Å; L125-F354 HydrophobicContact CD2-CZ 3.73Å; L125-F354 WeakPolarHBondContact O-CE1 3.41Å; Y126-F354 HydrophobicContact CE1-CD1 4.34Å; Y126-F354 HydrophobicContact CE1-CE1 4.24Å; S352-F354 VanDerWaalsContact C-N 3.32Å; S352-F354 PolarHBondContact O-N 2.91Å; F354-W358 AromaticContact CD2-CH2 3.83Å; F354-W358 HydrophobicContact CD2-CH2 3.83Å; F354-W358 AromaticContact CD2-CZ2 3.82Å; F354-W358 HydrophobicContact CD2-CZ2 3.82Å; F354-W358 HydrophobicContact CD2-CZ3 4.44Å; F354-W358 AromaticContact CE2-CH2 3.66Å; F354-W358 HydrophobicContact CE2-CH2 3.66Å; F354-W358 HydrophobicContact CE2-CZ2 4.15Å; F354-W358 HydrophobicContact CE2-CZ3 4.05Å; F354-W358 PolarHBondContact O-NE1 2.64Å; F354-Y366 HydrophobicContact CZ-CE1 4.32Å; F354-Y366 HydrophobicContact CZ-CE2 4.34Å; F354-Y366 AromaticContact CZ-CZ 3.92Å; F354-I376 HydrophobicContact CD1-CG2 4.37Å; F354-I376 HydrophobicContact CD2-CG2 3.79Å; F354-I376 HydrophobicContact CE1-CG2 4.3Å; F354-I376 HydrophobicContact CE2-CG2 3.72Å; F354-I376 HydrophobicContact CG-CG2 4.14Å; F354-I376 HydrophobicContact CZ-CG2 3.98Å
355A86.6Confident75Confident3 Ų373.8 Ų73.83%0.02538%0.382CS..THydrogen-bonded Turntrans-93.97.6178.400000113L125 N353 D357 W358 I363L125-A355 HydrophobicContact CD2-CB 3.94Å; N353-A355 PolarHBondContact O-N 3.38Å; N353-A355 WeakPolarHBondContact OD1-CA 3.42Å; N353-A355 WeakPolarHBondContact OD1-CB 2.71Å; N353-A355 PolarHBondContact OD1-N 2.9Å; A355-D357 VanDerWaalsContact C-N 3.32Å; A355-D357 PolarHBondContact O-N 3.47Å; A355-W358 HydrophobicContact CB-CB 4.44Å; A355-W358 HydrophobicContact CB-CD2 3.82Å; A355-W358 HydrophobicContact CB-CE3 3.67Å; A355-W358 HydrophobicContact CB-CG 4.16Å; A355-W358 HydrophobicContact CB-CZ3 4.22Å; A355-W358 WeakPolarHBondContact O-CB 3.29Å; A355-W358 PolarHBondContact O-N 2.88Å; A355-W358 VanDerWaalsContact O-N 3.12Å; A355-I363 HydrophobicContact CB-CG1 4.41Å
356H82.9Confident76.9Confident140 Ų14066.6 Ų66.665%0.64834%0.343SS*.THydrogen-bonded Turntrans-57.4-43-174.7-176.266.5000113.1N353N353-H356 HydrophobicContact CB-CB 4.3Å; N353-H356 VanDerWaalsContact O-CB 3.28Å; N353-H356 WeakPolarHBondContact O-CB 3.5Å; N353-H356 PolarHBondContact O-N 3.45Å; N353-H356 VanDerWaalsContact O-N 3.1Å; N353-H356 PolarHBondContact OD1-N 3.34Å
357D84.5Confident78.9Confident86 Ų8666.1 Ų66.146%0.4634%0.335SS..THydrogen-bonded Turntrans-95.311.3-179.1-61.4-46.6000112.9A355A355-D357 VanDerWaalsContact C-N 3.32Å; A355-D357 PolarHBondContact O-N 3.47Å
358W89.1Confident80.8Confident16 Ų1660 Ų606%0.06131%0.309CS..SBendtrans-79.1143.6-179.5-73.89.3000111.7F354 A355 L362 I363 Y366 L371 I376 E409F354-W358 AromaticContact CD2-CH2 3.83Å; F354-W358 HydrophobicContact CD2-CH2 3.83Å; F354-W358 AromaticContact CD2-CZ2 3.82Å; F354-W358 HydrophobicContact CD2-CZ2 3.82Å; F354-W358 HydrophobicContact CD2-CZ3 4.44Å; F354-W358 AromaticContact CE2-CH2 3.66Å; F354-W358 HydrophobicContact CE2-CH2 3.66Å; F354-W358 HydrophobicContact CE2-CZ2 4.15Å; F354-W358 HydrophobicContact CE2-CZ3 4.05Å; F354-W358 PolarHBondContact O-NE1 2.64Å; A355-W358 HydrophobicContact CB-CB 4.44Å; A355-W358 HydrophobicContact CB-CD2 3.82Å; A355-W358 HydrophobicContact CB-CE3 3.67Å; A355-W358 HydrophobicContact CB-CG 4.16Å; A355-W358 HydrophobicContact CB-CZ3 4.22Å; A355-W358 WeakPolarHBondContact O-CB 3.29Å; A355-W358 PolarHBondContact O-N 2.88Å; A355-W358 VanDerWaalsContact O-N 3.12Å; W358-L362 HydrophobicContact CB-CB 4.46Å; W358-L362 HydrophobicContact CB-CD2 4.1Å; W358-L362 HydrophobicContact CB-CG 4.46Å; W358-L362 HydrophobicContact CD2-CD2 3.54Å; W358-L362 HydrophobicContact CD2-CG 3.9Å; W358-L362 HydrophobicContact CE3-CB 4.48Å; W358-L362 HydrophobicContact CE3-CD2 3.8Å; W358-L362 HydrophobicContact CE3-CG 3.6Å; W358-L362 HydrophobicContact CG-CD2 3.7Å; W358-L362 HydrophobicContact CG-CG 4.3Å; W358-L362 HydrophobicContact CZ3-CD2 4.44Å; W358-L362 HydrophobicContact CZ3-CG 4.12Å; W358-I363 HydrophobicContact CB-CD1 4.35Å; W358-I363 HydrophobicContact CB-CG1 3.83Å; W358-Y366 HydrophobicContact CZ3-CD2 4.46Å; W358-Y366 HydrophobicContact CZ3-CG 4.32Å; W358-L371 HydrophobicContact CH2-CD2 4.18Å; W358-L371 HydrophobicContact CZ3-CD2 4.34Å; W358-I376 HydrophobicContact CH2-CD1 3.66Å; W358-I376 HydrophobicContact CH2-CG1 4.25Å; W358-I376 HydrophobicContact CZ2-CD1 4.05Å; W358-E409 PolarHBondContact NE1-OE1 2.76Å
359P89.2Confident82.8Confident58 Ų5853.5 Ų53.538%0.37728%0.281SS..  trans-63.1145.8168.926.9-32.5000110.2N361 L362 I363 L590P359-N361 PolarHBondContact O-N 3.35Å; P359-N361 VanDerWaalsContact O-N 3.12Å; P359-L362 HydrophobicContact CG-CB 3.82Å; P359-L362 WeakPolarHBondContact O-CA 3.34Å; P359-L362 WeakPolarHBondContact O-CB 3.4Å; P359-L362 PolarHBondContact O-N 2.79Å; P359-I363 PolarHBondContact O-N 3.43Å; P359-L590 HydrophobicContact CG-CD2 4.29Å
360L90.1Very high84.8Confident137 Ų13754.2 Ų54.272%0.71728%0.279SS*.Hα-helixtrans-51.5-40.8-177.3-67.7174.1000113L362 I363 E364L360-L362 PolarHBondContact O-N 2.86Å; L360-I363 WeakPolarHBondContact O-CB 3.24Å; L360-I363 PolarHBondContact O-N 3.38Å; L360-I363 VanDerWaalsContact O-N 3.16Å; L360-E364 PolarHBondContact O-N 2.89Å
361N91.3Very high86.8Confident98 Ų9850.4 Ų50.452%0.52426%0.26SS..Hα-helixtrans-62.2-30.1177.9-67.2-16.2000113.3P359 L365 C589P359-N361 PolarHBondContact O-N 3.35Å; P359-N361 VanDerWaalsContact O-N 3.12Å; N361-L365 WeakPolarHBondContact O-CB 3.43Å; N361-L365 PolarHBondContact O-N 3.14Å; N361-C589 HydrophobicContact CB-CB 4.09Å; N361-C589 PolarHBondContact O-SG 3.47Å; N361-C589 VanDerWaalsContact O-SG 3.4Å
362L92.3Very high88.2Confident1 Ų148.8 Ų48.81%0.00526%0.258CS..Hα-helixtrans-77.6-38.8175.9-179.660.6000111.1W358 P359 L360 E364 L365 Y366 L371 L405 L408 L586W358-L362 HydrophobicContact CB-CB 4.46Å; W358-L362 HydrophobicContact CB-CD2 4.1Å; W358-L362 HydrophobicContact CB-CG 4.46Å; W358-L362 HydrophobicContact CD2-CD2 3.54Å; W358-L362 HydrophobicContact CD2-CG 3.9Å; W358-L362 HydrophobicContact CE3-CB 4.48Å; W358-L362 HydrophobicContact CE3-CD2 3.8Å; W358-L362 HydrophobicContact CE3-CG 3.6Å; W358-L362 HydrophobicContact CG-CD2 3.7Å; W358-L362 HydrophobicContact CG-CG 4.3Å; W358-L362 HydrophobicContact CZ3-CD2 4.44Å; W358-L362 HydrophobicContact CZ3-CG 4.12Å; P359-L362 HydrophobicContact CG-CB 3.82Å; P359-L362 WeakPolarHBondContact O-CA 3.34Å; P359-L362 WeakPolarHBondContact O-CB 3.4Å; P359-L362 PolarHBondContact O-N 2.79Å; L360-L362 PolarHBondContact O-N 2.86Å; L362-E364 VanDerWaalsContact C-N 3.33Å; L362-L365 PolarHBondContact O-N 3.3Å; L362-Y366 PolarHBondContact O-N 3.03Å; L362-L371 HydrophobicContact CD1-CD2 4.33Å; L362-L405 HydrophobicContact CD1-CD2 4.48Å; L362-L405 HydrophobicContact CD2-CD2 4.46Å; L362-L408 HydrophobicContact CD2-CD1 3.74Å; L362-L586 HydrophobicContact CD1-CD2 3.34Å
363I92.7Very high89.3Confident39 Ų3946.1 Ų46.120%0.224%0.238CC..Hα-helixtrans-58.5-48.6171.5-59.9176.9000109.2A355 W358 P359 L360 L365 Y366 R367A355-I363 HydrophobicContact CB-CG1 4.41Å; W358-I363 HydrophobicContact CB-CD1 4.35Å; W358-I363 HydrophobicContact CB-CG1 3.83Å; P359-I363 PolarHBondContact O-N 3.43Å; L360-I363 WeakPolarHBondContact O-CB 3.24Å; L360-I363 PolarHBondContact O-N 3.38Å; L360-I363 VanDerWaalsContact O-N 3.16Å; I363-L365 VanDerWaalsContact C-N 3.35Å; I363-L365 PolarHBondContact O-N 2.69Å; I363-Y366 WeakPolarHBondContact O-CB 3.33Å; I363-Y366 PolarHBondContact O-N 3.48Å; I363-R367 HydrophobicContact CG2-CG 4.06Å; I363-R367 WeakPolarHBondContact O-CB 3.27Å; I363-R367 VanDerWaalsContact O-CG 3.3Å; I363-R367 WeakPolarHBondContact O-CG 3.26Å; I363-R367 PolarHBondContact O-N 3.44Å
364E93.8Very high89.7Confident75 Ų7543.3 Ų43.335%0.3523%0.225SC..Hα-helixtrans-59.4-43176-74.7-51.8134.100112.5Y306 L360 L362 Y366 R367 K368Y306-E364 WeakPolarHBondContact CE2-OE1 3.39Å; Y306-E364 PolarHBondContact OH-OE2 2.91Å; L360-E364 PolarHBondContact O-N 2.89Å; L362-E364 VanDerWaalsContact C-N 3.33Å; E364-Y366 VanDerWaalsContact C-N 3.27Å; E364-Y366 PolarHBondContact O-N 3.22Å; E364-R367 PolarHBondContact O-N 3.26Å; E364-K368 VanDerWaalsContact O-CB 3.3Å; E364-K368 WeakPolarHBondContact O-CB 3.38Å; E364-K368 VanDerWaalsContact O-CG 3.31Å; E364-K368 WeakPolarHBondContact O-CG 3.49Å; E364-K368 PolarHBondContact O-N 2.91Å
365L93.9Very high89.9Confident12 Ų1242.7 Ų42.76%0.06322%0.223CC..Hα-helixtrans-60-40.2177.6-171.4154.9000111.3N361 L362 I363 K370 L371 S585 L586 C589N361-L365 WeakPolarHBondContact O-CB 3.43Å; N361-L365 PolarHBondContact O-N 3.14Å; L362-L365 PolarHBondContact O-N 3.3Å; I363-L365 VanDerWaalsContact C-N 3.35Å; I363-L365 PolarHBondContact O-N 2.69Å; L365-K370 HydrophobicContact CD2-CB 3.9Å; L365-K370 HydrophobicContact CG-CB 3.82Å; L365-K370 WeakPolarHBondContact O-CA 3.19Å; L365-K370 WeakPolarHBondContact O-CB 3.27Å; L365-K370 PolarHBondContact O-N 3.44Å; L365-L371 HydrophobicContact CD2-CB 3.46Å; L365-L371 VanDerWaalsContact CD2-CB 3.46Å; L365-S585 VanDerWaalsContact CD1-C 3.41Å; L365-S585 WeakPolarHBondContact CD1-O 3.35Å; L365-L586 HydrophobicContact CD1-CD2 4.27Å; L365-L586 HydrophobicContact CD2-CD2 4.02Å; L365-C589 HydrophobicContact CD1-CB 4.37Å; L365-C589 WeakPolarHBondContact CD1-SG 3.5Å
366Y94.5Very high89.9Confident1 Ų142.5 Ų42.50%0.00422%0.221CC..Hα-helixtrans-68.4-49.2173.8179.5-94.1000112.6G84 C85 T123 S124 L125 F354 W358 L362 I363 E364 K368 V369 L371 P373 I376G84-Y366 WeakPolarHBondContact CA-OH 3.28Å; C85-Y366 PolarHBondContact N-OH 3.36Å; T123-Y366 WeakPolarHBondContact CB-O 3.39Å; T123-Y366 HydrophobicContact CG2-CE1 4.23Å; T123-Y366 PolarHBondContact OG1-O 3.21Å; S124-Y366 VanDerWaalsContact O-CE1 3.25Å; S124-Y366 WeakPolarHBondContact O-CE1 3.41Å; S124-Y366 PolarHBondContact O-OH 3.39Å; L125-Y366 HydrophobicContact CD2-CD1 4.33Å; L125-Y366 HydrophobicContact CD2-CE1 4.01Å; L125-Y366 PolarHBondContact O-OH 2.9Å; L125-Y366 VanDerWaalsContact O-OH 3.09Å; F354-Y366 HydrophobicContact CZ-CE1 4.32Å; F354-Y366 HydrophobicContact CZ-CE2 4.34Å; F354-Y366 AromaticContact CZ-CZ 3.92Å; W358-Y366 HydrophobicContact CZ3-CD2 4.46Å; W358-Y366 HydrophobicContact CZ3-CG 4.32Å; L362-Y366 PolarHBondContact O-N 3.03Å; I363-Y366 WeakPolarHBondContact O-CB 3.33Å; I363-Y366 PolarHBondContact O-N 3.48Å; E364-Y366 VanDerWaalsContact C-N 3.27Å; E364-Y366 PolarHBondContact O-N 3.22Å; Y366-K368 PolarHBondContact O-N 2.96Å; Y366-V369 PolarHBondContact O-N 2.83Å; Y366-V369 VanDerWaalsContact O-N 3.1Å; Y366-L371 HydrophobicContact CD2-CB 4.32Å; Y366-L371 HydrophobicContact CD2-CD2 4.27Å; Y366-L371 HydrophobicContact CD2-CG 4.33Å; Y366-P373 HydrophobicContact CE2-CB 4.42Å; Y366-P373 HydrophobicContact CE2-CG 4.21Å; Y366-I376 HydrophobicContact CE2-CG1 4.21Å
367R94.4Very high89.9Confident18 Ų1835.9 Ų35.97%0.06819%0.191CC..Hα-helixtrans-61.5-30.7178.9-66.8-61.4-169.9168.85111.9M122 T123 Y306 I363 E364 V369M122-R367 CarbonylContact C-O 3.59Å; M122-R367 VanDerWaalsContact CA-O 3.3Å; M122-R367 WeakPolarHBondContact CA-O 3.43Å; T123-R367 PolarHBondContact N-O 2.89Å; T123-R367 WeakPolarHBondContact O-CD 3.4Å; T123-R367 PolarHBondContact O-NH1 2.94Å; T123-R367 PolarHBondContact OG1-O 3.34Å; Y306-R367 HydrophobicContact CE2-CB 4.18Å; Y306-R367 HydrophobicContact CE2-CG 3.98Å; Y306-R367 WeakPolarHBondContact OH-CB 3.42Å; I363-R367 HydrophobicContact CG2-CG 4.06Å; I363-R367 WeakPolarHBondContact O-CB 3.27Å; I363-R367 VanDerWaalsContact O-CG 3.3Å; I363-R367 WeakPolarHBondContact O-CG 3.26Å; I363-R367 PolarHBondContact O-N 3.44Å; E364-R367 PolarHBondContact O-N 3.26Å; R367-V369 VanDerWaalsContact C-N 3.3Å; R367-V369 PolarHBondContact O-N 3.25Å
368K93.2Very high89.9Confident50 Ų5032 Ų3222%0.21717%0.17CC..THydrogen-bonded Turntrans-89.417.9177.3-62.3-64.5179.5-171.10114.3E120 Y121 Y306 E364 Y366 K370E120-K368 IonicContact OE2-NZ 3.4Å; Y121-K368 HydrophobicContact CE1-CD 4.43Å; Y121-K368 HydrophobicContact CE2-CB 4.34Å; Y121-K368 HydrophobicContact CE2-CD 3.79Å; Y121-K368 PolarHBondContact O-NZ 3.06Å; Y306-K368 WeakPolarHBondContact OH-CE 3.11Å; E364-K368 VanDerWaalsContact O-CB 3.3Å; E364-K368 WeakPolarHBondContact O-CB 3.38Å; E364-K368 VanDerWaalsContact O-CG 3.31Å; E364-K368 WeakPolarHBondContact O-CG 3.49Å; E364-K368 PolarHBondContact O-N 2.91Å; Y366-K368 PolarHBondContact O-N 2.96Å; K368-K370 PolarHBondContact O-N 3.1Å
369V91.8Very high89.6Confident31 Ų3131.5 Ų31.519%0.18817%0.168CC..THydrogen-bonded Turntrans64.123.6173.8-164.70000113F82 K107 V111 Y121 T123 Y366 R367F82-V369 HydrophobicContact CD2-CG2 3.92Å; F82-V369 HydrophobicContact CE2-CG2 4.36Å; F82-V369 HydrophobicContact CG-CG2 4.4Å; K107-V369 HydrophobicContact CB-CG1 4.41Å; K107-V369 HydrophobicContact CD-CB 4.49Å; K107-V369 HydrophobicContact CD-CG1 3.31Å; K107-V369 HydrophobicContact CD-CG2 4.28Å; K107-V369 HydrophobicContact CG-CG1 3.69Å; V111-V369 HydrophobicContact CG2-CB 4.04Å; V111-V369 HydrophobicContact CG2-CG1 4.46Å; V111-V369 HydrophobicContact CG2-CG2 3.77Å; Y121-V369 HydrophobicContact CD2-CG2 4.43Å; Y121-V369 HydrophobicContact CE2-CG2 4.3Å; T123-V369 VanDerWaalsContact OG1-CG2 3.32Å; T123-V369 WeakPolarHBondContact OG1-CG2 3.19Å; Y366-V369 PolarHBondContact O-N 2.83Å; Y366-V369 VanDerWaalsContact O-N 3.1Å; R367-V369 VanDerWaalsContact C-N 3.3Å; R367-V369 PolarHBondContact O-N 3.25Å
370K91.5Very high89.2Confident58 Ų5830.7 Ų30.725%0.25216%0.16SC..  trans-94-6.1177.2-61.9-60.4-177.6-174.30113.2L365 K368L365-K370 HydrophobicContact CD2-CB 3.9Å; L365-K370 HydrophobicContact CG-CB 3.82Å; L365-K370 WeakPolarHBondContact O-CA 3.19Å; L365-K370 WeakPolarHBondContact O-CB 3.27Å; L365-K370 PolarHBondContact O-N 3.44Å; K368-K370 PolarHBondContact O-N 3.1Å
371L91.3Very high88.3Confident2 Ų226.1 Ų26.11%0.0113%0.134CC..SBendtrans-124.5123.5171.1178.759.3000110.2W358 L362 L365 Y366 P373 I375 I376 V401 L405 T582 L586W358-L371 HydrophobicContact CH2-CD2 4.18Å; W358-L371 HydrophobicContact CZ3-CD2 4.34Å; L362-L371 HydrophobicContact CD1-CD2 4.33Å; L365-L371 HydrophobicContact CD2-CB 3.46Å; L365-L371 VanDerWaalsContact CD2-CB 3.46Å; Y366-L371 HydrophobicContact CD2-CB 4.32Å; Y366-L371 HydrophobicContact CD2-CD2 4.27Å; Y366-L371 HydrophobicContact CD2-CG 4.33Å; L371-P373 WeakPolarHBondContact O-CD 3.44Å; L371-I375 HydrophobicContact CD1-CD1 4.49Å; L371-I376 HydrophobicContact CD2-CD1 3.97Å; L371-I376 HydrophobicContact CD2-CG1 4.47Å; L371-I376 HydrophobicContact CG-CD1 4.44Å; L371-V401 HydrophobicContact CD1-CG1 4.25Å; L371-L405 HydrophobicContact CD1-CD1 4.35Å; L371-L405 HydrophobicContact CD2-CD2 4.27Å; L371-T582 HydrophobicContact CD1-CG2 3.93Å; L371-L586 HydrophobicContact CD1-CD1 4.34Å; L371-L586 HydrophobicContact CD2-CD2 4.37Å
372S87.3Confident87Confident39 Ų3925.5 Ų25.527%0.27314%0.137SC..  trans-68.8126.7-178178.70000111.8A374 I375S372-A374 PolarHBondContact O-N 3.42Å; S372-A374 VanDerWaalsContact O-N 3.13Å; S372-A374 PolarHBondContact OG-N 2.99Å; S372-I375 WeakPolarHBondContact O-CB 3.32Å; S372-I375 PolarHBondContact O-N 2.81Å; S372-I375 VanDerWaalsContact O-N 3.14Å
373P87.2Confident85.6Confident17 Ų1726.3 Ų26.311%0.1114%0.142CC..Hα-helixtrans-61-21.4173.9-23.433.1000114.1G84 T123 Y366 L371 I375 I376 N377G84-P373 VanDerWaalsContact O-CB 3.23Å; G84-P373 WeakPolarHBondContact O-CB 3.21Å; T123-P373 HydrophobicContact CG2-CG 4.4Å; Y366-P373 HydrophobicContact CE2-CB 4.42Å; Y366-P373 HydrophobicContact CE2-CG 4.21Å; L371-P373 WeakPolarHBondContact O-CD 3.44Å; P373-I375 VanDerWaalsContact C-N 3.29Å; P373-I375 PolarHBondContact O-N 3.46Å; P373-I376 PolarHBondContact O-N 2.99Å; P373-N377 WeakPolarHBondContact O-CB 3.45Å; P373-N377 PolarHBondContact O-N 2.79Å
374A83.3Confident84.3Confident14 Ų1432.5 Ų32.512%0.11616%0.162CC..Hα-helixtrans-62.9-36.7176.400000112.3S372 N377 I378 F387S372-A374 PolarHBondContact O-N 3.42Å; S372-A374 VanDerWaalsContact O-N 3.13Å; S372-A374 PolarHBondContact OG-N 2.99Å; A374-N377 PolarHBondContact O-N 3.44Å; A374-I378 WeakPolarHBondContact O-CG1 3.42Å; A374-I378 PolarHBondContact O-N 3.12Å; A374-I378 VanDerWaalsContact O-N 3.16Å; A374-F387 HydrophobicContact CB-CE1 4.27Å
375I86.4Confident83Confident1 Ų131.2 Ų31.21%0.00516%0.156CC..Hα-helixtrans-65.5-44.3177.8-65.7178.7000109.7L371 S372 P373 I378 L379 V401 Y402 L405L371-I375 HydrophobicContact CD1-CD1 4.49Å; S372-I375 WeakPolarHBondContact O-CB 3.32Å; S372-I375 PolarHBondContact O-N 2.81Å; S372-I375 VanDerWaalsContact O-N 3.14Å; P373-I375 VanDerWaalsContact C-N 3.29Å; P373-I375 PolarHBondContact O-N 3.46Å; I375-I378 PolarHBondContact O-N 2.93Å; I375-L379 WeakPolarHBondContact O-CB 3.44Å; I375-L379 PolarHBondContact O-N 2.83Å; I375-V401 HydrophobicContact CD1-CB 4.38Å; I375-V401 HydrophobicContact CD1-CG1 3.8Å; I375-V401 HydrophobicContact CG2-CG1 3.82Å; I375-Y402 HydrophobicContact CB-CE1 4.15Å; I375-Y402 HydrophobicContact CG1-CE1 4.49Å; I375-Y402 HydrophobicContact CG2-CD1 3.72Å; I375-Y402 HydrophobicContact CG2-CE1 3.48Å; I375-Y402 VanDerWaalsContact CG2-CE1 3.48Å; I375-L405 HydrophobicContact CG2-CD1 3.76Å
376I88.1Confident81.6Confident0 Ų032.3 Ų32.30%016%0.163CC..Hα-helixtrans-65-43.1177.9-55.2-51.5000111.4C85 F354 W358 Y366 L371 P373 I378 L379 H380 L405C85-I376 VanDerWaalsContact SG-CB 3.6Å; C85-I376 WeakPolarHBondContact SG-CG2 3.3Å; F354-I376 HydrophobicContact CD1-CG2 4.37Å; F354-I376 HydrophobicContact CD2-CG2 3.79Å; F354-I376 HydrophobicContact CE1-CG2 4.3Å; F354-I376 HydrophobicContact CE2-CG2 3.72Å; F354-I376 HydrophobicContact CG-CG2 4.14Å; F354-I376 HydrophobicContact CZ-CG2 3.98Å; W358-I376 HydrophobicContact CH2-CD1 3.66Å; W358-I376 HydrophobicContact CH2-CG1 4.25Å; W358-I376 HydrophobicContact CZ2-CD1 4.05Å; Y366-I376 HydrophobicContact CE2-CG1 4.21Å; L371-I376 HydrophobicContact CD2-CD1 3.97Å; L371-I376 HydrophobicContact CD2-CG1 4.47Å; L371-I376 HydrophobicContact CG-CD1 4.44Å; P373-I376 PolarHBondContact O-N 2.99Å; I376-I378 VanDerWaalsContact C-N 3.28Å; I376-I378 PolarHBondContact O-N 3.23Å; I376-L379 PolarHBondContact O-N 3.46Å; I376-H380 PolarHBondContact O-N 3.23Å; I376-L405 HydrophobicContact CD1-CD1 3.79Å
377N83.1Confident80.4Confident1 Ų133.2 Ų33.21%0.00517%0.168CC..Hα-helixtrans-56.7-40.1175.4-84.5-25.5000113.1C85 T86 P373 A374 H381 S382 I383C85-N377 VanDerWaalsContact CB-OD1 3.32Å; C85-N377 WeakPolarHBondContact CB-OD1 3.31Å; T86-N377 PolarHBondContact N-ND2 3.4Å; T86-N377 PolarHBondContact O-ND2 2.83Å; P373-N377 WeakPolarHBondContact O-CB 3.45Å; P373-N377 PolarHBondContact O-N 2.79Å; A374-N377 PolarHBondContact O-N 3.44Å; N377-H381 CarbonylContact O-C 3.47Å; N377-H381 WeakPolarHBondContact O-CA 3.35Å; N377-H381 WeakPolarHBondContact O-CB 3.32Å; N377-H381 PolarHBondContact O-N 3.1Å; N377-S382 PolarHBondContact O-N 3.26Å; N377-I383 HydrophobicContact CB-CB 4.25Å; N377-I383 HydrophobicContact CB-CD1 3.99Å; N377-I383 HydrophobicContact CB-CG2 4.47Å; N377-I383 PolarHBondContact O-N 2.83Å
378I83.3Confident79.2Confident5 Ų534.1 Ų34.13%0.02617%0.173CC..Hα-helixtrans-70.4-47.6177.6-68.9164.6000109.9A374 I375 I376 S382 F387 Y402 I420 E422A374-I378 WeakPolarHBondContact O-CG1 3.42Å; A374-I378 PolarHBondContact O-N 3.12Å; A374-I378 VanDerWaalsContact O-N 3.16Å; I375-I378 PolarHBondContact O-N 2.93Å; I376-I378 VanDerWaalsContact C-N 3.28Å; I376-I378 PolarHBondContact O-N 3.23Å; I378-S382 PolarHBondContact O-N 2.98Å; I378-F387 HydrophobicContact CD1-CE2 3.37Å; I378-F387 HydrophobicContact CD1-CZ 3.47Å; I378-F387 VanDerWaalsContact CD1-CZ 3.47Å; I378-Y402 HydrophobicContact CB-CE1 4.35Å; I378-Y402 WeakPolarHBondContact CD1-OH 3.37Å; I378-Y402 HydrophobicContact CG2-CE1 4.22Å; I378-I420 HydrophobicContact CG2-CB 4.21Å; I378-I420 HydrophobicContact CG2-CD1 4.19Å; I378-E422 HydrophobicContact CD1-CG 4.42Å
379L83.8Confident77.6Confident5 Ų534.1 Ų34.13%0.02618%0.18CC..Hα-helixtrans-70-46.7-173.7-175.163.5000113.6I375 I376 Y402 L405 Y406 L416 I438I375-L379 WeakPolarHBondContact O-CB 3.44Å; I375-L379 PolarHBondContact O-N 2.83Å; I376-L379 PolarHBondContact O-N 3.46Å; L379-Y402 HydrophobicContact CB-CD1 4.46Å; L379-L405 HydrophobicContact CD2-CB 3.54Å; L379-L405 HydrophobicContact CD2-CD1 4.11Å; L379-L405 HydrophobicContact CD2-CG 4.49Å; L379-Y406 HydrophobicContact CD1-CD2 4.45Å; L379-L416 HydrophobicContact CD1-CD1 3.89Å; L379-L416 HydrophobicContact CD2-CD1 3.98Å; L379-L416 HydrophobicContact CG-CD1 3.7Å; L379-I438 HydrophobicContact CD1-CD1 3.74Å
380H79.2Confident76.2Confident41 Ų4133 Ų3319%0.1917%0.173CC..Hα-helixtrans-94.7-29.4-174.8-74.1-100.5000113.9I376 E409I376-H380 PolarHBondContact O-N 3.23Å; H380-E409 IonicContact CE1-OE1 3.9Å; H380-E409 PolarHBondContact CE1-OE1 3.1Å; H380-E409 IonicContact CE1-OE2 3.74Å; H380-E409 IonicContact NE2-OE1 3.13Å; H380-E409 PolarHBondContact NE2-OE1 3.24Å
381H71.1Confident75.1Confident41 Ų4131.4 Ų31.419%0.1917%0.166CC..Hα-helixtrans-114.9-1.3-170-55.5-44.4000113.4Y126 N377 I383Y126-H381 AromaticContact CE1-NE2 3.89Å; N377-H381 CarbonylContact O-C 3.47Å; N377-H381 WeakPolarHBondContact O-CA 3.35Å; N377-H381 WeakPolarHBondContact O-CB 3.32Å; N377-H381 PolarHBondContact O-N 3.1Å; H381-I383 HydrophobicContact CB-CD1 3.47Å; H381-I383 VanDerWaalsContact CB-CD1 3.47Å; H381-I383 HydrophobicContact CB-CG1 3.61Å; H381-I383 PolarHBondContact O-N 3.04Å
382S65.3Low74.2Confident84 Ų8432.9 Ų32.959%0.58718%0.179SC*.  trans49.334.3-177.5-62.90000112.5N377 I378 R384N377-S382 PolarHBondContact O-N 3.26Å; I378-S382 PolarHBondContact O-N 2.98Å; S382-R384 PolarHBondContact O-N 3.24Å
383I63.3Low73.7Confident18 Ų1832.7 Ų32.79%0.09217%0.172CC..  trans-74.8127.9-173.3-78.5169.4000110V88 N377 H381 K385V88-I383 HydrophobicContact CG2-CB 4.12Å; V88-I383 HydrophobicContact CG2-CG1 4.08Å; V88-I383 HydrophobicContact CG2-CG2 3.33Å; N377-I383 HydrophobicContact CB-CB 4.25Å; N377-I383 HydrophobicContact CB-CD1 3.99Å; N377-I383 HydrophobicContact CB-CG2 4.47Å; N377-I383 PolarHBondContact O-N 2.83Å; H381-I383 HydrophobicContact CB-CD1 3.47Å; H381-I383 VanDerWaalsContact CB-CD1 3.47Å; H381-I383 HydrophobicContact CB-CG1 3.61Å; H381-I383 PolarHBondContact O-N 3.04Å; I383-K385 VanDerWaalsContact C-N 3.29Å; I383-K385 HydrophobicContact CG2-CB 4.06Å; I383-K385 PolarHBondContact O-N 3.43Å
384R64.8Low73.7Confident169 Ų16931.9 Ų31.964%0.63817%0.167SC*.  trans-73.479.8170.8-58.4-168.7178.5160.13.3110.7S382 Y423S382-R384 PolarHBondContact O-N 3.24Å; R384-Y423 HydrophobicContact CB-CD2 4.15Å; R384-Y423 HydrophobicContact CB-CE2 3.86Å; R384-Y423 HydrophobicContact CG-CD2 4.35Å; R384-Y423 HydrophobicContact CG-CE2 3.56Å; R384-Y423 PolarHBondContact NE-OH 3.01Å
385K65.8Low73.9Confident49 Ų4931.7 Ų31.721%0.21317%0.165CC..  trans-105.1111.7170.5-167.1168.7-172.5168.70109.4I383 F387I383-K385 VanDerWaalsContact C-N 3.29Å; I383-K385 HydrophobicContact CG2-CB 4.06Å; I383-K385 PolarHBondContact O-N 3.43Å; K385-F387 PolarHBondContact O-N 3.5Å
386P65Low73.9Confident34 Ų3434 Ų3422%0.22118%0.177CC..EExtended strand (participates in β ladder)trans-73.8130.6176.429.7-32.9000110.9Y423 W425 L431P386-Y423 CarbonylContact C-O 3.59Å; P386-Y423 VanDerWaalsContact CA-O 3.29Å; P386-Y423 WeakPolarHBondContact CA-O 3.46Å; P386-W425 HydrophobicContact CB-CG 4.47Å; P386-W425 VanDerWaalsContact CB-NE1 3.28Å; P386-W425 HydrophobicContact CG-CZ2 4.08Å; P386-L431 HydrophobicContact CB-CD1 3.66Å; P386-L431 HydrophobicContact CG-CD1 4.42Å
387F70.3Confident74.1Confident21 Ų2134.2 Ų34.29%0.09218%0.178CC..EExtended strand (participates in β ladder)trans-77.5158.3163.1-62.7-77.9000110.4A374 I378 K385 H391 E422 Y423 T424 W425A374-F387 HydrophobicContact CB-CE1 4.27Å; I378-F387 HydrophobicContact CD1-CE2 3.37Å; I378-F387 HydrophobicContact CD1-CZ 3.47Å; I378-F387 VanDerWaalsContact CD1-CZ 3.47Å; K385-F387 PolarHBondContact O-N 3.5Å; F387-H391 HydrophobicContact CB-CB 3.6Å; F387-H391 HydrophobicContact CD1-CB 4.25Å; F387-H391 AromaticContact CD1-CG 3.9Å; F387-H391 AromaticContact CD1-ND1 3.91Å; F387-H391 HydrophobicContact CG-CB 4.08Å; F387-E422 HydrophobicContact CD2-CB 4.45Å; F387-E422 HydrophobicContact CD2-CG 4.44Å; F387-E422 HydrophobicContact CE2-CB 4.42Å; F387-E422 HydrophobicContact CE2-CG 3.96Å; F387-Y423 PolarHBondContact N-O 3.39Å; F387-T424 WeakPolarHBondContact O-CA 3.46Å; F387-W425 PolarHBondContact O-N 2.86Å
388L67.9Low74.4Confident36 Ų3634.2 Ų34.219%0.18818%0.178CC..PPolyproline II helixtrans-65.1152.8165.3-56.9168.2000109.7V390 H391 T424L388-V390 HydrophobicContact CB-CG2 3.66Å; L388-V390 HydrophobicContact CD1-CG2 4.32Å; L388-V390 PolarHBondContact O-N 3.13Å; L388-V390 VanDerWaalsContact O-N 3.07Å; L388-H391 PolarHBondContact N-CD2 3.29Å; L388-H391 WeakPolarHBondContact O-CB 3.25Å; L388-H391 PolarHBondContact O-CD2 3.37Å; L388-H391 PolarHBondContact O-N 2.8Å; L388-T424 PolarHBondContact O-OG1 2.91Å
389S59.4Low74.8Confident50 Ų5034.6 Ų34.635%0.3518%0.18SC..G310 helixtrans-44.2-42.8175.450.70000113.1H391 A392 T424 W425S389-H391 PolarHBondContact O-N 3.48Å; S389-H391 VanDerWaalsContact O-N 3.16Å; S389-A392 WeakPolarHBondContact O-CB 3.49Å; S389-A392 PolarHBondContact O-N 3.4Å; S389-T424 VanDerWaalsContact CA-OG1 3.27Å; S389-T424 WeakPolarHBondContact CA-OG1 3.35Å; S389-T424 PolarHBondContact N-OG1 3.48Å; S389-W425 WeakPolarHBondContact CA-O 3.33Å; S389-W425 WeakPolarHBondContact CB-O 3.19Å; S389-W425 PolarHBondContact N-O 3.1Å
390V63.4Low75.2Confident7 Ų734.4 Ų34.44%0.04218%0.179CC..G310 helixtrans-61.1-19.3-179.7-650000114.5L388 A392 Y393 S568 I571L388-V390 HydrophobicContact CB-CG2 3.66Å; L388-V390 HydrophobicContact CD1-CG2 4.32Å; L388-V390 PolarHBondContact O-N 3.13Å; L388-V390 VanDerWaalsContact O-N 3.07Å; V390-A392 VanDerWaalsContact C-N 3.27Å; V390-A392 PolarHBondContact O-N 3.49Å; V390-Y393 WeakPolarHBondContact O-CD2 3.15Å; V390-Y393 PolarHBondContact O-N 2.93Å; V390-S568 VanDerWaalsContact CG1-OG 3.24Å; V390-S568 WeakPolarHBondContact CG1-OG 3.15Å; V390-I571 HydrophobicContact CB-CB 4.41Å; V390-I571 HydrophobicContact CB-CG2 4.13Å; V390-I571 HydrophobicContact CG2-CB 4.15Å; V390-I571 HydrophobicContact CG2-CG2 3.47Å; V390-I571 VanDerWaalsContact CG2-CG2 3.47Å
391H68Low75.9Confident26 Ų2632.5 Ų32.512%0.1217%0.17CC..G310 helixtrans-75.5-17.2173.6-70.1-92.6000112.6F387 L388 S389 Y393 S394 R398 N575F387-H391 HydrophobicContact CB-CB 3.6Å; F387-H391 HydrophobicContact CD1-CB 4.25Å; F387-H391 AromaticContact CD1-CG 3.9Å; F387-H391 AromaticContact CD1-ND1 3.91Å; F387-H391 HydrophobicContact CG-CB 4.08Å; L388-H391 PolarHBondContact N-CD2 3.29Å; L388-H391 WeakPolarHBondContact O-CB 3.25Å; L388-H391 PolarHBondContact O-CD2 3.37Å; L388-H391 PolarHBondContact O-N 2.8Å; S389-H391 PolarHBondContact O-N 3.48Å; S389-H391 VanDerWaalsContact O-N 3.16Å; H391-Y393 PolarHBondContact O-N 3.33Å; H391-Y393 VanDerWaalsContact O-N 3.12Å; H391-S394 PolarHBondContact O-N 3.12Å; H391-S394 VanDerWaalsContact O-N 3.1Å; H391-S394 PolarHBondContact O-OG 2.9Å; H391-R398 VanDerWaalsContact O-CZ 3.27Å; H391-R398 PolarHBondContact O-NH1 2.64Å; H391-R398 PolarHBondContact O-NH2 2.73Å; H391-N575 PolarHBondContact CE1-ND2 2.84Å; H391-N575 VanDerWaalsContact CE1-ND2 3.33Å; H391-N575 PolarHBondContact CE1-OD1 3.48Å; H391-N575 PolarHBondContact ND1-ND2 2.95Å
392A72.4Confident77Confident33 Ų3330.5 Ų30.527%0.27316%0.161SC..G310 helixtrans-55.8-29.6173.400000111.2S389 V390 S394 V395S389-A392 WeakPolarHBondContact O-CB 3.49Å; S389-A392 PolarHBondContact O-N 3.4Å; V390-A392 VanDerWaalsContact C-N 3.27Å; V390-A392 PolarHBondContact O-N 3.49Å; A392-S394 VanDerWaalsContact C-N 3.26Å; A392-S394 PolarHBondContact O-N 3.16Å; A392-V395 WeakPolarHBondContact O-CB 3.29Å; A392-V395 VanDerWaalsContact O-CG1 3.24Å; A392-V395 WeakPolarHBondContact O-CG1 3.41Å; A392-V395 PolarHBondContact O-N 2.81Å
393Y77.2Confident78.3Confident35 Ų3528 Ų2814%0.13714%0.138CC..G310 helixtrans-62.1-30179.2-75.5-93.8000114V390 H391 F482 Q486 N490 A572V390-Y393 WeakPolarHBondContact O-CD2 3.15Å; V390-Y393 PolarHBondContact O-N 2.93Å; H391-Y393 PolarHBondContact O-N 3.33Å; H391-Y393 VanDerWaalsContact O-N 3.12Å; Y393-F482 WeakPolarHBondContact O-CE1 3.28Å; Y393-Q486 HydrophobicContact CD1-CB 3.83Å; Y393-Q486 HydrophobicContact CE1-CB 3.91Å; Y393-Q486 PolarHBondContact O-NE2 2.67Å; Y393-Q486 PolarHBondContact O-OE1 2.86Å; Y393-N490 PolarHBondContact OH-ND2 2.98Å; Y393-A572 HydrophobicContact CD1-CB 4.19Å; Y393-A572 HydrophobicContact CD2-CB 3.69Å; Y393-A572 HydrophobicContact CE2-CB 4.27Å; Y393-A572 HydrophobicContact CG-CB 3.66Å
394S86.8Confident79.7Confident0 Ų027.2 Ų27.20%013%0.134CC..G310 helixtrans-103.912.8-179.762.10000114.1H391 A392 N396 L397 R398H391-S394 PolarHBondContact O-N 3.12Å; H391-S394 VanDerWaalsContact O-N 3.1Å; H391-S394 PolarHBondContact O-OG 2.9Å; A392-S394 VanDerWaalsContact C-N 3.26Å; A392-S394 PolarHBondContact O-N 3.16Å; S394-N396 VanDerWaalsContact C-N 3.3Å; S394-N396 PolarHBondContact O-N 2.95Å; S394-L397 PolarHBondContact O-N 3.17Å; S394-L397 VanDerWaalsContact O-N 3.12Å; S394-R398 PolarHBondContact O-N 3.38Å; S394-R398 PolarHBondContact OG-NH1 3.47Å
395V86.6Confident81Confident10 Ų1019.2 Ų19.26%0.06110%0.104CC..Hα-helixtrans-57.4-38.8-176.771.50000113.1A392 L397 R398 L399 L436A392-V395 WeakPolarHBondContact O-CB 3.29Å; A392-V395 VanDerWaalsContact O-CG1 3.24Å; A392-V395 WeakPolarHBondContact O-CG1 3.41Å; A392-V395 PolarHBondContact O-N 2.81Å; V395-L397 VanDerWaalsContact C-N 3.34Å; V395-L397 PolarHBondContact O-N 3.31Å; V395-R398 PolarHBondContact O-N 2.76Å; V395-L399 WeakPolarHBondContact O-CB 3.2Å; V395-L399 PolarHBondContact O-N 3Å; V395-L436 HydrophobicContact CG2-CD1 4.26Å; V395-L436 HydrophobicContact CG2-CD2 4.26Å
396N86.9Confident82.3Confident49 Ų4918.3 Ų18.326%0.26210%0.1SC..Hα-helixtrans-70.3-32.5-179.1-63.6-29000112.4S394 L400 F482 F675S394-N396 VanDerWaalsContact C-N 3.3Å; S394-N396 PolarHBondContact O-N 2.95Å; N396-L400 PolarHBondContact O-N 3.13Å; N396-F482 HydrophobicContact CB-CZ 4.17Å; N396-F675 HydrophobicContact CB-CD1 3.89Å; N396-F675 HydrophobicContact CB-CE1 3.31Å; N396-F675 HydrophobicContact CB-CE2 4.29Å; N396-F675 HydrophobicContact CB-CG 4.49Å; N396-F675 HydrophobicContact CB-CZ 3.52Å
397L92.2Very high83.5Confident4 Ų416.8 Ų16.82%0.0219%0.09CC..Hα-helixtrans-72.8-43.2174.1-67.5170.3000110.5S394 V395 L399 L400 V401 L459 F482 I576 E579 L580 F675S394-L397 PolarHBondContact O-N 3.17Å; S394-L397 VanDerWaalsContact O-N 3.12Å; V395-L397 VanDerWaalsContact C-N 3.34Å; V395-L397 PolarHBondContact O-N 3.31Å; L397-L399 VanDerWaalsContact C-N 3.27Å; L397-L399 PolarHBondContact O-N 3.32Å; L397-L400 WeakPolarHBondContact O-CA 3.32Å; L397-L400 WeakPolarHBondContact O-CB 3.35Å; L397-L400 PolarHBondContact O-N 3.38Å; L397-V401 PolarHBondContact O-N 2.61Å; L397-L459 HydrophobicContact CD2-CD1 4.1Å; L397-L459 HydrophobicContact CD2-CD2 3.89Å; L397-F482 HydrophobicContact CD1-CD1 4.2Å; L397-F482 HydrophobicContact CD1-CE1 4.03Å; L397-F482 HydrophobicContact CG-CE1 4.22Å; L397-I576 HydrophobicContact CD1-CG2 3.88Å; L397-I576 WeakPolarHBondContact CD1-O 3.44Å; L397-E579 HydrophobicContact CB-CB 3.62Å; L397-E579 HydrophobicContact CD1-CB 4.19Å; L397-L580 HydrophobicContact CD1-CB 4.19Å; L397-L580 HydrophobicContact CD2-CD1 4.32Å; L397-F675 HydrophobicContact CD2-CZ 4.23Å; L397-F675 HydrophobicContact CG-CZ 4.41Å
398R90.8Very high84.4Confident1 Ų117.4 Ų17.40%0.00410%0.095CC..Hα-helixtrans-58.8-39.3171.1-77.9-162.7-54.6-78-0.9112.4H391 S394 V395 L400 V401 Y402 E422 E579H391-R398 VanDerWaalsContact O-CZ 3.27Å; H391-R398 PolarHBondContact O-NH1 2.64Å; H391-R398 PolarHBondContact O-NH2 2.73Å; S394-R398 PolarHBondContact O-N 3.38Å; S394-R398 PolarHBondContact OG-NH1 3.47Å; V395-R398 PolarHBondContact O-N 2.76Å; R398-L400 VanDerWaalsContact C-N 3.25Å; R398-L400 PolarHBondContact O-N 3.08Å; R398-V401 CarbonylContact O-C 3.46Å; R398-V401 WeakPolarHBondContact O-CA 3.35Å; R398-V401 WeakPolarHBondContact O-CB 3.41Å; R398-V401 PolarHBondContact O-N 3Å; R398-Y402 HydrophobicContact CB-CE2 4.12Å; R398-Y402 WeakPolarHBondContact O-CD2 3.49Å; R398-Y402 PolarHBondContact O-N 2.75Å; R398-E422 IonicContact CZ-OE1 3.77Å; R398-E422 IonicContact CZ-OE2 3.18Å; R398-E422 IonicContact NE-OE1 3.33Å; R398-E422 PolarHBondContact NE-OE1 3.25Å; R398-E422 IonicContact NE-OE2 3.36Å; R398-E422 PolarHBondContact NE-OE2 3.41Å; R398-E422 IonicContact NH2-OE1 3.54Å; R398-E422 IonicContact NH2-OE2 2.82Å; R398-E422 PolarHBondContact NH2-OE2 3.3Å; R398-E579 HydrophobicContact CG-CG 3.83Å; R398-E579 VanDerWaalsContact CG-OE1 3.29Å; R398-E579 WeakPolarHBondContact CG-OE1 2.98Å; R398-E579 WeakPolarHBondContact CG-OE2 3.02Å
399L91.1Very high85.5Confident13 Ų1316 Ų167%0.0689%0.087CC..Hα-helixtrans-57.9-42.8175-175.265.1000110.7V395 L397 V401 Y402 R403 L436 I438 L677V395-L399 WeakPolarHBondContact O-CB 3.2Å; V395-L399 PolarHBondContact O-N 3Å; L397-L399 VanDerWaalsContact C-N 3.27Å; L397-L399 PolarHBondContact O-N 3.32Å; L399-V401 VanDerWaalsContact C-N 3.34Å; L399-V401 PolarHBondContact O-N 3.23Å; L399-Y402 PolarHBondContact O-N 3.47Å; L399-R403 WeakPolarHBondContact O-CG 3.37Å; L399-R403 PolarHBondContact O-N 3.12Å; L399-L436 HydrophobicContact CD1-CB 4.44Å; L399-I438 HydrophobicContact CD1-CG2 3.65Å; L399-L677 HydrophobicContact CD2-CD1 4.31Å
400L92.3Very high86.8Confident2 Ų217.8 Ų17.81%0.019%0.092CC..Hα-helixtrans-62.9-40.2174.5-174.956.5000112N396 L397 R398 R403 I404 L441 Q458 V583N396-L400 PolarHBondContact O-N 3.13Å; L397-L400 WeakPolarHBondContact O-CA 3.32Å; L397-L400 WeakPolarHBondContact O-CB 3.35Å; L397-L400 PolarHBondContact O-N 3.38Å; R398-L400 VanDerWaalsContact C-N 3.25Å; R398-L400 PolarHBondContact O-N 3.08Å; L400-R403 PolarHBondContact O-N 3.02Å; L400-I404 HydrophobicContact CG-CD1 4.22Å; L400-I404 WeakPolarHBondContact O-CD1 3.29Å; L400-I404 VanDerWaalsContact O-CG1 3.28Å; L400-I404 WeakPolarHBondContact O-CG1 3.5Å; L400-I404 PolarHBondContact O-N 3.11Å; L400-L441 HydrophobicContact CD1-CD2 3.66Å; L400-Q458 HydrophobicContact CD1-CB 4.35Å; L400-Q458 HydrophobicContact CD1-CG 3.92Å; L400-Q458 HydrophobicContact CD2-CB 4.07Å; L400-Q458 HydrophobicContact CD2-CG 4.35Å; L400-V583 HydrophobicContact CB-CG2 4.12Å; L400-V583 HydrophobicContact CD2-CB 4.44Å; L400-V583 HydrophobicContact CD2-CG1 3.48Å; L400-V583 VanDerWaalsContact CD2-CG1 3.48Å; L400-V583 HydrophobicContact CD2-CG2 4.04Å; L400-V583 HydrophobicContact CG-CG1 4.03Å; L400-V583 HydrophobicContact CG-CG2 4.08Å
401V93.9Very high87.9Confident0 Ų021.6 Ų21.60%012%0.119CC..Hα-helixtrans-58.3-50.2172.5176.60000111.4L371 I375 L397 R398 L399 R403 I404 L405 T582 V583 L586L371-V401 HydrophobicContact CD1-CG1 4.25Å; I375-V401 HydrophobicContact CD1-CB 4.38Å; I375-V401 HydrophobicContact CD1-CG1 3.8Å; I375-V401 HydrophobicContact CG2-CG1 3.82Å; L397-V401 PolarHBondContact O-N 2.61Å; R398-V401 CarbonylContact O-C 3.46Å; R398-V401 WeakPolarHBondContact O-CA 3.35Å; R398-V401 WeakPolarHBondContact O-CB 3.41Å; R398-V401 PolarHBondContact O-N 3Å; L399-V401 VanDerWaalsContact C-N 3.34Å; L399-V401 PolarHBondContact O-N 3.23Å; V401-R403 VanDerWaalsContact C-N 3.29Å; V401-R403 PolarHBondContact O-N 3.32Å; V401-I404 PolarHBondContact O-N 3.07Å; V401-L405 HydrophobicContact CG1-CD1 4Å; V401-L405 HydrophobicContact CG1-CG 4.46Å; V401-L405 PolarHBondContact O-N 3.04Å; V401-T582 HydrophobicContact CG1-CG2 4.29Å; V401-T582 HydrophobicContact CG2-CG2 3.92Å; V401-V583 HydrophobicContact CG2-CG2 3.6Å; V401-L586 HydrophobicContact CB-CD1 4.36Å; V401-L586 HydrophobicContact CG1-CD1 3.63Å; V401-L586 HydrophobicContact CG2-CD1 4.33Å
402Y93Very high88.7Confident0 Ų023 Ų230%013%0.131CC..Hα-helixtrans-59.3-40.9177.6-63.7-54.7000111.9I375 I378 L379 R398 L399 I404 L405 Y406 I420 E422 L436I375-Y402 HydrophobicContact CB-CE1 4.15Å; I375-Y402 HydrophobicContact CG1-CE1 4.49Å; I375-Y402 HydrophobicContact CG2-CD1 3.72Å; I375-Y402 HydrophobicContact CG2-CE1 3.48Å; I375-Y402 VanDerWaalsContact CG2-CE1 3.48Å; I378-Y402 HydrophobicContact CB-CE1 4.35Å; I378-Y402 WeakPolarHBondContact CD1-OH 3.37Å; I378-Y402 HydrophobicContact CG2-CE1 4.22Å; L379-Y402 HydrophobicContact CB-CD1 4.46Å; R398-Y402 HydrophobicContact CB-CE2 4.12Å; R398-Y402 WeakPolarHBondContact O-CD2 3.49Å; R398-Y402 PolarHBondContact O-N 2.75Å; L399-Y402 PolarHBondContact O-N 3.47Å; Y402-I404 VanDerWaalsContact C-N 3.34Å; Y402-I404 PolarHBondContact O-N 3.02Å; Y402-L405 PolarHBondContact O-N 3.15Å; Y402-Y406 WeakPolarHBondContact O-CB 3.3Å; Y402-Y406 PolarHBondContact O-N 3.44Å; Y402-I420 HydrophobicContact CD1-CD1 3.96Å; Y402-I420 HydrophobicContact CD2-CD1 3.46Å; Y402-I420 VanDerWaalsContact CD2-CD1 3.46Å; Y402-I420 HydrophobicContact CE1-CD1 4.1Å; Y402-I420 HydrophobicContact CE2-CD1 3.65Å; Y402-I420 HydrophobicContact CG-CD1 3.66Å; Y402-E422 WeakPolarHBondContact CE2-OE1 3.47Å; Y402-E422 PolarHBondContact OH-OE1 2.85Å; Y402-L436 HydrophobicContact CE2-CD1 4.29Å
403R93Very high89.2Confident30 Ų3024.2 Ų24.211%0.11315%0.147CC..Hα-helixtrans-65.1-37.2179.1-68.117666.2-151.2-1.9112.5L399 L400 V401 G407 S439 L441L399-R403 WeakPolarHBondContact O-CG 3.37Å; L399-R403 PolarHBondContact O-N 3.12Å; L400-R403 PolarHBondContact O-N 3.02Å; V401-R403 VanDerWaalsContact C-N 3.29Å; V401-R403 PolarHBondContact O-N 3.32Å; R403-G407 PolarHBondContact O-N 3.42Å; R403-S439 VanDerWaalsContact CB-O 3.26Å; R403-S439 WeakPolarHBondContact CB-O 3.48Å; R403-S439 WeakPolarHBondContact CG-O 3.49Å; R403-S439 PolarHBondContact NE-O 2.97Å; R403-S439 PolarHBondContact NE-OG 2.98Å; R403-L441 HydrophobicContact CB-CB 4.01Å; R403-L441 PolarHBondContact O-N 3.05Å
404I92.8Very high89.5Confident2 Ų225 Ų251%0.0116%0.155CC..Hα-helixtrans-65-52.9175-67160.2000109.9L400 V401 Y402 Y406 G407 L408 L441 V583 L586 L587 L590L400-I404 HydrophobicContact CG-CD1 4.22Å; L400-I404 WeakPolarHBondContact O-CD1 3.29Å; L400-I404 VanDerWaalsContact O-CG1 3.28Å; L400-I404 WeakPolarHBondContact O-CG1 3.5Å; L400-I404 PolarHBondContact O-N 3.11Å; V401-I404 PolarHBondContact O-N 3.07Å; Y402-I404 VanDerWaalsContact C-N 3.34Å; Y402-I404 PolarHBondContact O-N 3.02Å; I404-Y406 PolarHBondContact O-N 3.26Å; I404-G407 PolarHBondContact O-N 3.1Å; I404-L408 HydrophobicContact CG2-CD1 4.42Å; I404-L408 PolarHBondContact O-N 3.19Å; I404-L408 VanDerWaalsContact O-N 3.08Å; I404-L441 HydrophobicContact CG1-CD2 3.81Å; I404-V583 HydrophobicContact CD1-CG1 4.43Å; I404-L586 HydrophobicContact CD1-CB 4.42Å; I404-L586 HydrophobicContact CG2-CB 4.19Å; I404-L587 HydrophobicContact CD1-CD2 3.78Å; I404-L587 HydrophobicContact CD1-CG 3.86Å; I404-L587 HydrophobicContact CG1-CD2 4.05Å; I404-L590 HydrophobicContact CG2-CD1 3.67Å
405L92.6Very high89.3Confident1 Ų134.7 Ų34.71%0.00520%0.197CC..Hα-helixtrans-62.3-45.3-179.8-66.9174.3000111.8L362 L371 I375 I376 L379 V401 Y402 G407 L408 E409 L586L362-L405 HydrophobicContact CD1-CD2 4.48Å; L362-L405 HydrophobicContact CD2-CD2 4.46Å; L371-L405 HydrophobicContact CD1-CD1 4.35Å; L371-L405 HydrophobicContact CD2-CD2 4.27Å; I375-L405 HydrophobicContact CG2-CD1 3.76Å; I376-L405 HydrophobicContact CD1-CD1 3.79Å; L379-L405 HydrophobicContact CD2-CB 3.54Å; L379-L405 HydrophobicContact CD2-CD1 4.11Å; L379-L405 HydrophobicContact CD2-CG 4.49Å; V401-L405 HydrophobicContact CG1-CD1 4Å; V401-L405 HydrophobicContact CG1-CG 4.46Å; V401-L405 PolarHBondContact O-N 3.04Å; Y402-L405 PolarHBondContact O-N 3.15Å; L405-G407 VanDerWaalsContact C-N 3.28Å; L405-G407 PolarHBondContact O-N 3.39Å; L405-L408 HydrophobicContact CD2-CD1 4.4Å; L405-L408 WeakPolarHBondContact O-CB 3.42Å; L405-L408 PolarHBondContact O-N 3.43Å; L405-L408 VanDerWaalsContact O-N 3.12Å; L405-E409 VanDerWaalsContact O-CG 3.26Å; L405-E409 WeakPolarHBondContact O-CG 3.47Å; L405-E409 PolarHBondContact O-N 3.35Å; L405-L586 HydrophobicContact CD2-CD2 4.27Å
406Y91.9Very high89.3Confident31 Ų3135.4 Ų35.412%0.12220%0.201CC..Hα-helixtrans-61.2-36.8175.6-171.9-95.8000112.5L379 Y402 I404 N410 L416 P418 I438 P440L379-Y406 HydrophobicContact CD1-CD2 4.45Å; Y402-Y406 WeakPolarHBondContact O-CB 3.3Å; Y402-Y406 PolarHBondContact O-N 3.44Å; I404-Y406 PolarHBondContact O-N 3.26Å; Y406-N410 WeakPolarHBondContact O-CB 3.44Å; Y406-N410 PolarHBondContact O-N 3.33Å; Y406-L416 HydrophobicContact CD2-CB 3.75Å; Y406-L416 HydrophobicContact CD2-CD1 4.2Å; Y406-L416 HydrophobicContact CE2-CB 3.61Å; Y406-L416 WeakPolarHBondContact CE2-O 3.31Å; Y406-L416 PolarHBondContact OH-O 3.02Å; Y406-P418 HydrophobicContact CE2-CB 4.46Å; Y406-I438 HydrophobicContact CD2-CD1 3.42Å; Y406-I438 VanDerWaalsContact CD2-CD1 3.42Å; Y406-I438 HydrophobicContact CD2-CG1 4.24Å; Y406-I438 HydrophobicContact CE2-CD1 4.08Å; Y406-I438 HydrophobicContact CG-CD1 3.71Å; Y406-I438 HydrophobicContact CG-CG1 4.36Å; Y406-P440 HydrophobicContact CD1-CB 3.81Å; Y406-P440 HydrophobicContact CD1-CG 4.32Å; Y406-P440 HydrophobicContact CE1-CB 4.23Å; Y406-P440 HydrophobicContact CE1-CG 4.29Å
407G90.7Very high89.2Confident2 Ų236.9 Ų36.92%0.02121%0.209CC..Hα-helixtrans-61.4-42.3173.600000112.6R403 I404 L405 C411R403-G407 PolarHBondContact O-N 3.42Å; I404-G407 PolarHBondContact O-N 3.1Å; L405-G407 VanDerWaalsContact C-N 3.28Å; L405-G407 PolarHBondContact O-N 3.39Å; G407-C411 PolarHBondContact O-N 2.82Å; G407-C411 VanDerWaalsContact O-N 3.15Å; G407-C411 PolarHBondContact O-SG 3.41Å; G407-C411 VanDerWaalsContact O-SG 3.35Å
408L89.9Confident88.9Confident34 Ų3438.9 Ų38.918%0.17822%0.222CC..Hα-helixtrans-64.6-50.7176.4-71.2164.3000112.2L362 I404 L405 N410 C411 S412 L590L362-L408 HydrophobicContact CD2-CD1 3.74Å; I404-L408 HydrophobicContact CG2-CD1 4.42Å; I404-L408 PolarHBondContact O-N 3.19Å; I404-L408 VanDerWaalsContact O-N 3.08Å; L405-L408 HydrophobicContact CD2-CD1 4.4Å; L405-L408 WeakPolarHBondContact O-CB 3.42Å; L405-L408 PolarHBondContact O-N 3.43Å; L405-L408 VanDerWaalsContact O-N 3.12Å; L408-N410 VanDerWaalsContact C-N 3.28Å; L408-N410 PolarHBondContact O-N 3.03Å; L408-C411 WeakPolarHBondContact O-CA 3.34Å; L408-C411 WeakPolarHBondContact O-CB 3.34Å; L408-C411 PolarHBondContact O-N 2.91Å; L408-S412 PolarHBondContact O-N 2.78Å; L408-S412 PolarHBondContact O-OG 3.23Å; L408-L590 HydrophobicContact CD1-CD1 3.86Å; L408-L590 HydrophobicContact CD1-CD2 4.02Å; L408-L590 HydrophobicContact CD1-CG 4.45Å; L408-L590 HydrophobicContact CD2-CD1 3.82Å; L408-L590 HydrophobicContact CD2-CD2 3.4Å; L408-L590 VanDerWaalsContact CD2-CD2 3.4Å; L408-L590 HydrophobicContact CD2-CG 4.21Å; L408-L590 HydrophobicContact CG-CD1 3.97Å; L408-L590 HydrophobicContact CG-CD2 4.24Å
409E89.9Confident88.8Confident5 Ų543.1 Ų43.12%0.02325%0.245CC..Hα-helixtrans-60.1-40.9-179.4-67.5-71.8168.500111.3W358 H380 L405 C411 S412 G413 V414 L416W358-E409 PolarHBondContact NE1-OE1 2.76Å; H380-E409 IonicContact CE1-OE1 3.9Å; H380-E409 PolarHBondContact CE1-OE1 3.1Å; H380-E409 IonicContact CE1-OE2 3.74Å; H380-E409 IonicContact NE2-OE1 3.13Å; H380-E409 PolarHBondContact NE2-OE1 3.24Å; L405-E409 VanDerWaalsContact O-CG 3.26Å; L405-E409 WeakPolarHBondContact O-CG 3.47Å; L405-E409 PolarHBondContact O-N 3.35Å; E409-C411 VanDerWaalsContact C-N 3.31Å; E409-C411 PolarHBondContact O-N 3.46Å; E409-S412 CarbonylContact O-C 3.44Å; E409-S412 PolarHBondContact O-N 2.97Å; E409-S412 VanDerWaalsContact O-N 3.16Å; E409-G413 PolarHBondContact O-N 3.15Å; E409-G413 VanDerWaalsContact O-N 3.08Å; E409-V414 HydrophobicContact CB-CB 4.2Å; E409-V414 PolarHBondContact O-N 3.41Å; E409-V414 WeakPolarHBondContact OE2-CB 3.5Å; E409-V414 WeakPolarHBondContact OE2-CG1 3.4Å; E409-V414 VanDerWaalsContact OE2-CG2 3.3Å; E409-V414 WeakPolarHBondContact OE2-CG2 3.36Å; E409-L416 HydrophobicContact CB-CD1 3.61Å; E409-L416 HydrophobicContact CB-CG 4.14Å; E409-L416 HydrophobicContact CG-CD1 3.57Å; E409-L416 HydrophobicContact CG-CG 4.43Å
410N88.3Confident88.6Confident88 Ų8842.9 Ų42.947%0.47124%0.244SC..Hα-helixtrans-63.9-34.2174.4-175.464.1000112.6Y406 L408 G413Y406-N410 WeakPolarHBondContact O-CB 3.44Å; Y406-N410 PolarHBondContact O-N 3.33Å; L408-N410 VanDerWaalsContact C-N 3.28Å; L408-N410 PolarHBondContact O-N 3.03Å; N410-G413 PolarHBondContact O-N 3.23Å
411C86Confident88.2Confident88 Ų8845.2 Ų45.260%0.59526%0.258SS*.Hα-helixtrans-70-33.2173.2-74.10000112.7G407 L408 E409 G413G407-C411 PolarHBondContact O-N 2.82Å; G407-C411 VanDerWaalsContact O-N 3.15Å; G407-C411 PolarHBondContact O-SG 3.41Å; G407-C411 VanDerWaalsContact O-SG 3.35Å; L408-C411 WeakPolarHBondContact O-CA 3.34Å; L408-C411 WeakPolarHBondContact O-CB 3.34Å; L408-C411 PolarHBondContact O-N 2.91Å; E409-C411 VanDerWaalsContact C-N 3.31Å; E409-C411 PolarHBondContact O-N 3.46Å; C411-G413 PolarHBondContact O-N 2.7Å
412S85.1Confident87.7Confident55 Ų5545.3 Ų45.339%0.38526%0.258SS..Hα-helixtrans-78.7-5174.3-57.70000113.4L408 E409 V414L408-S412 PolarHBondContact O-N 2.78Å; L408-S412 PolarHBondContact O-OG 3.23Å; E409-S412 CarbonylContact O-C 3.44Å; E409-S412 PolarHBondContact O-N 2.97Å; E409-S412 VanDerWaalsContact O-N 3.16Å; S412-V414 VanDerWaalsContact C-N 3.34Å
413G83.2Confident87Confident59 Ų5946.2 Ų46.261%0.60826%0.262SS*.THydrogen-bonded Turntrans838-179.300000114.4E409 N410 C411 K415E409-G413 PolarHBondContact O-N 3.15Å; E409-G413 VanDerWaalsContact O-N 3.08Å; N410-G413 PolarHBondContact O-N 3.23Å; C411-G413 PolarHBondContact O-N 2.7Å; G413-K415 PolarHBondContact O-N 3.04Å
414V83.3Confident86.2Confident50 Ų5045.4 Ų45.430%0.30326%0.26SS..  trans-77.4119.9176.3-178.80000109.3E409 S412 L416E409-V414 HydrophobicContact CB-CB 4.2Å; E409-V414 PolarHBondContact O-N 3.41Å; E409-V414 WeakPolarHBondContact OE2-CB 3.5Å; E409-V414 WeakPolarHBondContact OE2-CG1 3.4Å; E409-V414 VanDerWaalsContact OE2-CG2 3.3Å; E409-V414 WeakPolarHBondContact OE2-CG2 3.36Å; S412-V414 VanDerWaalsContact C-N 3.34Å; V414-L416 HydrophobicContact CG1-CD2 4.12Å; V414-L416 HydrophobicContact CG1-CG 4.24Å; V414-L416 PolarHBondContact O-N 2.81Å
415K82.8Confident85.1Confident204 Ų20447.7 Ų47.789%0.88727%0.269SS*.  trans-86.296179.9-68.9-175.6-179.1178.80110.8G413G413-K415 PolarHBondContact O-N 3.04Å
416L85.4Confident84Confident25 Ų2550.3 Ų50.313%0.13128%0.282CS..  trans-90.3154.2171.1-63.7-178.8000112L379 Y406 E409 V414 P418L379-L416 HydrophobicContact CD1-CD1 3.89Å; L379-L416 HydrophobicContact CD2-CD1 3.98Å; L379-L416 HydrophobicContact CG-CD1 3.7Å; Y406-L416 HydrophobicContact CD2-CB 3.75Å; Y406-L416 HydrophobicContact CD2-CD1 4.2Å; Y406-L416 HydrophobicContact CE2-CB 3.61Å; Y406-L416 WeakPolarHBondContact CE2-O 3.31Å; Y406-L416 PolarHBondContact OH-O 3.02Å; E409-L416 HydrophobicContact CB-CD1 3.61Å; E409-L416 HydrophobicContact CB-CG 4.14Å; E409-L416 HydrophobicContact CG-CD1 3.57Å; E409-L416 HydrophobicContact CG-CG 4.43Å; V414-L416 HydrophobicContact CG1-CD2 4.12Å; V414-L416 HydrophobicContact CG1-CG 4.24Å; V414-L416 PolarHBondContact O-N 2.81Å; L416-P418 WeakPolarHBondContact O-CD 3.3Å
417N84.6Confident82.6Confident80 Ų8055.4 Ų55.443%0.42831%0.311SS..  trans-72.2122.5174-177.38.5000110.2D419N417-D419 VanDerWaalsContact C-N 3.26Å; N417-D419 PolarHBondContact ND2-O 3.2Å; N417-D419 PolarHBondContact O-N 3.4Å; N417-D419 PolarHBondContact OD1-N 3.45Å
418P87.1Confident81.3Confident47 Ų4759.6 Ų59.631%0.30533%0.333SS..SBendtrans-74.1-14.2176.631-36.7000113.9Y406 L416 T437 I438Y406-P418 HydrophobicContact CE2-CB 4.46Å; L416-P418 WeakPolarHBondContact O-CD 3.3Å; P418-T437 WeakPolarHBondContact O-CA 3.42Å; P418-I438 HydrophobicContact CB-CG1 4.43Å; P418-I438 WeakPolarHBondContact O-CG1 3.35Å; P418-I438 PolarHBondContact O-N 3.49Å
419D88.2Confident80.2Confident89 Ų8962.4 Ų62.448%0.47635%0.349SS..EExtended strand (participates in β ladder)trans-103.999.3177.7-65.1-50.4000109.6N417 T437N417-D419 VanDerWaalsContact C-N 3.26Å; N417-D419 PolarHBondContact ND2-O 3.2Å; N417-D419 PolarHBondContact O-N 3.4Å; N417-D419 PolarHBondContact OD1-N 3.45Å; D419-T437 WeakPolarHBondContact OD1-CG2 3.36Å; D419-T437 PolarHBondContact OD1-OG1 3.41Å
420I86.7Confident79.3Confident9 Ų964.8 Ų64.85%0.04636%0.36CS..EExtended strand (participates in β ladder)trans-103.7154.5177.567.6177000109.9I378 Y402 L436 I438I378-I420 HydrophobicContact CG2-CB 4.21Å; I378-I420 HydrophobicContact CG2-CD1 4.19Å; Y402-I420 HydrophobicContact CD1-CD1 3.96Å; Y402-I420 HydrophobicContact CD2-CD1 3.46Å; Y402-I420 VanDerWaalsContact CD2-CD1 3.46Å; Y402-I420 HydrophobicContact CE1-CD1 4.1Å; Y402-I420 HydrophobicContact CE2-CD1 3.65Å; Y402-I420 HydrophobicContact CG-CD1 3.66Å; I420-L436 HydrophobicContact CD1-CB 4.43Å; I420-L436 HydrophobicContact CD1-CD1 4.42Å; I420-L436 HydrophobicContact CG1-CB 3.84Å; I420-L436 PolarHBondContact N-O 2.97Å; I420-L436 PolarHBondContact O-N 2.97Å; I420-I438 HydrophobicContact CD1-CG2 3.94Å; I420-I438 HydrophobicContact CG1-CG2 4.34Å; I420-I438 HydrophobicContact CG2-CD1 4.27Å
421T83.9Confident78.8Confident50 Ų5062.6 Ų62.631%0.30735%0.348SS..EExtended strand (participates in β ladder)trans-123.6116177.4-56.30000109.3Y423 E433T421-Y423 HydrophobicContact CG2-CD2 4.38Å; T421-Y423 HydrophobicContact CG2-CE1 4.24Å; T421-Y423 HydrophobicContact CG2-CE2 3.83Å; T421-E433 HydrophobicContact CG2-CB 4.09Å
422E84.1Confident78.4Confident2 Ų258.5 Ų58.51%0.00932%0.321CS..EExtended strand (participates in β ladder)trans-82.8147.9164.4-71-164.6167.600109.6I378 F387 R398 Y402 I434 L436I378-E422 HydrophobicContact CD1-CG 4.42Å; F387-E422 HydrophobicContact CD2-CB 4.45Å; F387-E422 HydrophobicContact CD2-CG 4.44Å; F387-E422 HydrophobicContact CE2-CB 4.42Å; F387-E422 HydrophobicContact CE2-CG 3.96Å; R398-E422 IonicContact CZ-OE1 3.77Å; R398-E422 IonicContact CZ-OE2 3.18Å; R398-E422 IonicContact NE-OE1 3.33Å; R398-E422 PolarHBondContact NE-OE1 3.25Å; R398-E422 IonicContact NE-OE2 3.36Å; R398-E422 PolarHBondContact NE-OE2 3.41Å; R398-E422 IonicContact NH2-OE1 3.54Å; R398-E422 IonicContact NH2-OE2 2.82Å; R398-E422 PolarHBondContact NH2-OE2 3.3Å; Y402-E422 WeakPolarHBondContact CE2-OE1 3.47Å; Y402-E422 PolarHBondContact OH-OE1 2.85Å; E422-I434 HydrophobicContact CB-CB 4.2Å; E422-I434 PolarHBondContact N-O 3.44Å; E422-I434 PolarHBondContact O-N 2.9Å; E422-L436 HydrophobicContact CG-CD1 3.82Å
423Y78.1Confident78.2Confident20 Ų2057.7 Ų57.78%0.07831%0.311CS..EExtended strand (participates in β ladder)trans-115.4137.9172.8-64.7-92.7000108R384 P386 F387 T421 L431 T432 E433R384-Y423 HydrophobicContact CB-CD2 4.15Å; R384-Y423 HydrophobicContact CB-CE2 3.86Å; R384-Y423 HydrophobicContact CG-CD2 4.35Å; R384-Y423 HydrophobicContact CG-CE2 3.56Å; R384-Y423 PolarHBondContact NE-OH 3.01Å; P386-Y423 CarbonylContact C-O 3.59Å; P386-Y423 VanDerWaalsContact CA-O 3.29Å; P386-Y423 WeakPolarHBondContact CA-O 3.46Å; F387-Y423 PolarHBondContact N-O 3.39Å; T421-Y423 HydrophobicContact CG2-CD2 4.38Å; T421-Y423 HydrophobicContact CG2-CE1 4.24Å; T421-Y423 HydrophobicContact CG2-CE2 3.83Å; Y423-L431 HydrophobicContact CD1-CD1 4.35Å; Y423-L431 HydrophobicContact CD1-CD2 3.76Å; Y423-L431 HydrophobicContact CD1-CG 3.99Å; Y423-L431 HydrophobicContact CE1-CD2 4.35Å; Y423-T432 WeakPolarHBondContact CA-O 3.43Å; Y423-E433 HydrophobicContact CD1-CG 3.91Å; Y423-E433 HydrophobicContact CE1-CB 4.41Å; Y423-E433 HydrophobicContact CE1-CG 3.59Å
424T76.5Confident78.2Confident12 Ų1255.2 Ų55.27%0.07428%0.284CS..EExtended strand (participates in β ladder)trans-129.6141.6173.7-171.60000110.4F387 L388 S389 T432 I434F387-T424 WeakPolarHBondContact O-CA 3.46Å; L388-T424 PolarHBondContact O-OG1 2.91Å; S389-T424 VanDerWaalsContact CA-OG1 3.27Å; S389-T424 WeakPolarHBondContact CA-OG1 3.35Å; S389-T424 PolarHBondContact N-OG1 3.48Å; T424-T432 HydrophobicContact CG2-CG2 4.44Å; T424-T432 PolarHBondContact N-O 3.01Å; T424-T432 PolarHBondContact O-N 2.84Å; T424-I434 HydrophobicContact CG2-CD1 3.83Å; T424-I434 HydrophobicContact CG2-CG1 4.3Å
425W69.4Low78.2Confident51 Ų5155.2 Ų55.219%0.19329%0.285CS..EExtended strand (participates in β ladder)trans-74.9145.3165.8-67.5105.7000110.3P386 F387 S389 M430 L431P386-W425 HydrophobicContact CB-CG 4.47Å; P386-W425 VanDerWaalsContact CB-NE1 3.28Å; P386-W425 HydrophobicContact CG-CZ2 4.08Å; F387-W425 PolarHBondContact O-N 2.86Å; S389-W425 WeakPolarHBondContact CA-O 3.33Å; S389-W425 WeakPolarHBondContact CB-O 3.19Å; S389-W425 PolarHBondContact N-O 3.1Å; W425-M430 CarbonylContact C-O 3.59Å; W425-M430 WeakPolarHBondContact CA-O 3.33Å; W425-L431 HydrophobicContact CD2-CD1 4.25Å; W425-L431 HydrophobicContact CE3-CB 4.47Å; W425-L431 HydrophobicContact CE3-CD1 4.4Å; W425-L431 HydrophobicContact CH2-CD1 4.38Å; W425-L431 HydrophobicContact CZ2-CD1 4.23Å; W425-L431 HydrophobicContact CZ3-CB 4.17Å; W425-L431 HydrophobicContact CZ3-CD1 4.46Å
426I68.3Low78.4Confident56 Ų5645.7 Ų45.729%0.28724%0.243SC..EExtended strand (participates in β ladder)trans-122.6127.9164.5-59.8-178.3000106.4D428 N429 M430 T432I426-D428 PolarHBondContact O-N 3.28Å; I426-D428 VanDerWaalsContact O-N 3.11Å; I426-N429 PolarHBondContact O-N 3.44Å; I426-M430 HydrophobicContact CB-CB 4.13Å; I426-M430 PolarHBondContact N-O 3.34Å; I426-M430 PolarHBondContact O-N 3.02Å; I426-T432 HydrophobicContact CD1-CG2 4.39Å; I426-T432 WeakPolarHBondContact CD1-OG1 3.36Å; I426-T432 WeakPolarHBondContact CG1-OG1 3.21Å
427N63Low78.5Confident137 Ų13748.8 Ų48.873%0.73326%0.264SS*.THydrogen-bonded Turntrans48.438.1-179.3-55.4-11.2000112.9N429N427-N429 PolarHBondContact O-N 2.8Å; N427-N429 PolarHBondContact O-ND2 2.82Å
428D63.1Low78.7Confident91 Ų9145.3 Ų45.349%0.48725%0.245SC..THydrogen-bonded Turntrans54.92.7-179.3-63.9-29.6000117.9I426I426-D428 PolarHBondContact O-N 3.28Å; I426-D428 VanDerWaalsContact O-N 3.11Å
429N68.1Low78.9Confident93 Ų9346 Ų4650%0.49725%0.25SS..THydrogen-bonded Turntrans-127.3-21.7-172.4-70.4-40000113.8I426 N427 R689I426-N429 PolarHBondContact O-N 3.44Å; N427-N429 PolarHBondContact O-N 2.8Å; N427-N429 PolarHBondContact O-ND2 2.82Å; N429-R689 VanDerWaalsContact O-CB 3.22Å; N429-R689 WeakPolarHBondContact O-CB 3.36Å; N429-R689 PolarHBondContact O-N 3.28Å
430M70.8Confident79Confident54 Ų5444.3 Ų44.327%0.26625%0.245SC..EExtended strand (participates in β ladder)trans-108.5121.9-177-69.5-65.7-65.600110.3W425 I426 Q688W425-M430 CarbonylContact C-O 3.59Å; W425-M430 WeakPolarHBondContact CA-O 3.33Å; I426-M430 HydrophobicContact CB-CB 4.13Å; I426-M430 PolarHBondContact N-O 3.34Å; I426-M430 PolarHBondContact O-N 3.02Å; M430-Q688 HydrophobicContact CE-CG 3.81Å; M430-Q688 HydrophobicContact SD-CB 4.06Å; M430-Q688 HydrophobicContact SD-CG 3.28Å; M430-Q688 WeakPolarHBondContact SD-CG 3.42Å
431L76.7Confident79Confident42 Ų4245.3 Ų45.322%0.2225%0.25CC..EExtended strand (participates in β ladder)trans-89120.9173.5-168.970.6000108.9P386 Y423 W425 K687P386-L431 HydrophobicContact CB-CD1 3.66Å; P386-L431 HydrophobicContact CG-CD1 4.42Å; Y423-L431 HydrophobicContact CD1-CD1 4.35Å; Y423-L431 HydrophobicContact CD1-CD2 3.76Å; Y423-L431 HydrophobicContact CD1-CG 3.99Å; Y423-L431 HydrophobicContact CE1-CD2 4.35Å; W425-L431 HydrophobicContact CD2-CD1 4.25Å; W425-L431 HydrophobicContact CE3-CB 4.47Å; W425-L431 HydrophobicContact CE3-CD1 4.4Å; W425-L431 HydrophobicContact CH2-CD1 4.38Å; W425-L431 HydrophobicContact CZ2-CD1 4.23Å; W425-L431 HydrophobicContact CZ3-CB 4.17Å; W425-L431 HydrophobicContact CZ3-CD1 4.46Å; L431-K687 PolarHBondContact N-O 3Å; L431-K687 VanDerWaalsContact N-O 3.15Å; L431-K687 PolarHBondContact O-N 2.95Å
432T78Confident79Confident3 Ų346.6 Ų46.62%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-108.9131176.8-570000109.8Y423 T424 I426 R684Y423-T432 WeakPolarHBondContact CA-O 3.43Å; T424-T432 HydrophobicContact CG2-CG2 4.44Å; T424-T432 PolarHBondContact N-O 3.01Å; T424-T432 PolarHBondContact O-N 2.84Å; I426-T432 HydrophobicContact CD1-CG2 4.39Å; I426-T432 WeakPolarHBondContact CD1-OG1 3.36Å; I426-T432 WeakPolarHBondContact CG1-OG1 3.21Å; T432-R684 HydrophobicContact CG2-CB 4.1Å; T432-R684 HydrophobicContact CG2-CG 4.03Å
433E81.8Confident78.7Confident38 Ų3848.7 Ų48.718%0.17827%0.268CS..EExtended strand (participates in β ladder)trans-88.4127.9175.2-52.2-172.7175.300108.9T421 Y423 P435 K685 K687T421-E433 HydrophobicContact CG2-CB 4.09Å; Y423-E433 HydrophobicContact CD1-CG 3.91Å; Y423-E433 HydrophobicContact CE1-CB 4.41Å; Y423-E433 HydrophobicContact CE1-CG 3.59Å; E433-P435 WeakPolarHBondContact O-CD 3.1Å; E433-K685 PolarHBondContact N-O 3.32Å; E433-K685 VanDerWaalsContact N-O 3.07Å; E433-K687 IonicContact OE1-NZ 2.74Å; E433-K687 PolarHBondContact OE1-NZ 3.17Å
434I81.7Confident78.3Confident6 Ų651.1 Ų51.13%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-11296173.2-57.8172.8000106.9E422 T424 L436 M682E422-I434 HydrophobicContact CB-CB 4.2Å; E422-I434 PolarHBondContact N-O 3.44Å; E422-I434 PolarHBondContact O-N 2.9Å; T424-I434 HydrophobicContact CG2-CD1 3.83Å; T424-I434 HydrophobicContact CG2-CG1 4.3Å; I434-L436 HydrophobicContact CG2-CD2 3.77Å; I434-L436 HydrophobicContact CG2-CG 4.07Å; I434-L436 PolarHBondContact O-N 3.28Å; I434-M682 HydrophobicContact CB-CE 4.33Å; I434-M682 HydrophobicContact CD1-CE 3.81Å; I434-M682 HydrophobicContact CG1-CE 3.95Å; I434-M682 HydrophobicContact CG2-CE 3.44Å; I434-M682 VanDerWaalsContact CG2-CE 3.44Å
435P85Confident77.7Confident50 Ų5056.2 Ų56.233%0.32532%0.315SS..EExtended strand (participates in β ladder)trans-70.6129.2172.729.3-32.3000109.5E433E433-P435 WeakPolarHBondContact O-CD 3.1Å
436L86Confident77.4Confident4 Ų460.7 Ų60.72%0.02134%0.343CS..EExtended strand (participates in β ladder)trans-125.1125.1177-59.3174.5000108.9V395 L399 Y402 I420 E422 I434V395-L436 HydrophobicContact CG2-CD1 4.26Å; V395-L436 HydrophobicContact CG2-CD2 4.26Å; L399-L436 HydrophobicContact CD1-CB 4.44Å; Y402-L436 HydrophobicContact CE2-CD1 4.29Å; I420-L436 HydrophobicContact CD1-CB 4.43Å; I420-L436 HydrophobicContact CD1-CD1 4.42Å; I420-L436 HydrophobicContact CG1-CB 3.84Å; I420-L436 PolarHBondContact N-O 2.97Å; I420-L436 PolarHBondContact O-N 2.97Å; E422-L436 HydrophobicContact CG-CD1 3.82Å; I434-L436 HydrophobicContact CG2-CD2 3.77Å; I434-L436 HydrophobicContact CG2-CG 4.07Å; I434-L436 PolarHBondContact O-N 3.28Å
437T87.7Confident77.3Confident91 Ų9164.3 Ų64.356%0.55836%0.357SS*.EExtended strand (participates in β ladder)trans-97.5118.5169.1-58.30000108.6P418 D419P418-T437 WeakPolarHBondContact O-CA 3.42Å; D419-T437 WeakPolarHBondContact OD1-CG2 3.36Å; D419-T437 PolarHBondContact OD1-OG1 3.41Å
438I89.7Confident77.4Confident7 Ų763.9 Ų63.94%0.03636%0.355CS..  trans-95.8142.8-17953169.8000111.1L379 L399 Y406 P418 I420L379-I438 HydrophobicContact CD1-CD1 3.74Å; L399-I438 HydrophobicContact CD1-CG2 3.65Å; Y406-I438 HydrophobicContact CD2-CD1 3.42Å; Y406-I438 VanDerWaalsContact CD2-CD1 3.42Å; Y406-I438 HydrophobicContact CD2-CG1 4.24Å; Y406-I438 HydrophobicContact CE2-CD1 4.08Å; Y406-I438 HydrophobicContact CG-CD1 3.71Å; Y406-I438 HydrophobicContact CG-CG1 4.36Å; P418-I438 HydrophobicContact CB-CG1 4.43Å; P418-I438 WeakPolarHBondContact O-CG1 3.35Å; P418-I438 PolarHBondContact O-N 3.49Å; I420-I438 HydrophobicContact CD1-CG2 3.94Å; I420-I438 HydrophobicContact CG1-CG2 4.34Å; I420-I438 HydrophobicContact CG2-CD1 4.27Å
439S89.8Confident78.1Confident60 Ų6063.4 Ų63.442%0.4235%0.352SS..  trans-122.3140172.354.50000109.8R403 L441R403-S439 VanDerWaalsContact CB-O 3.26Å; R403-S439 WeakPolarHBondContact CB-O 3.48Å; R403-S439 WeakPolarHBondContact CG-O 3.49Å; R403-S439 PolarHBondContact NE-O 2.97Å; R403-S439 PolarHBondContact NE-OG 2.98Å; S439-L441 PolarHBondContact O-N 3.04Å
440P90Very high79.1Confident55 Ų5560.2 Ų60.236%0.35734%0.337SS..  trans-63.2130.6-174.424.8-31.9000111Y406 V442Y406-P440 HydrophobicContact CD1-CB 3.81Å; Y406-P440 HydrophobicContact CD1-CG 4.32Å; Y406-P440 HydrophobicContact CE1-CB 4.23Å; Y406-P440 HydrophobicContact CE1-CG 4.29Å; P440-V442 HydrophobicContact CB-CG2 4.14Å
441L88.5Confident80.2Confident29 Ų2957.7 Ų57.715%0.15232%0.324CS..  trans-97.493.6164.8-175.270.7000108.3L400 R403 I404 S439 I454L400-L441 HydrophobicContact CD1-CD2 3.66Å; R403-L441 HydrophobicContact CB-CB 4.01Å; R403-L441 PolarHBondContact O-N 3.05Å; I404-L441 HydrophobicContact CG1-CD2 3.81Å; S439-L441 PolarHBondContact O-N 3.04Å; L441-I454 HydrophobicContact CD2-CG2 4.42Å
442V82.5Confident80.9Confident78 Ų7856.3 Ų56.347%0.47332%0.317SS..  trans-84.8120.6-179.8-175.20000109.7P440 N444P440-V442 HydrophobicContact CB-CG2 4.14Å; V442-N444 PolarHBondContact O-N 3.03Å
443M77.3Confident81.5Confident46 Ų4661.8 Ų61.823%0.22734%0.341CS..  trans-68.6115.1165.6-73.1-74.9-133.600108P445 I454 L587 L590 A591M443-P445 WeakPolarHBondContact O-CD 3.43Å; M443-I454 HydrophobicContact CE-CD1 3.96Å; M443-I454 HydrophobicContact SD-CD1 3.41Å; M443-I454 WeakPolarHBondContact SD-CD1 2.95Å; M443-L587 HydrophobicContact CE-CB 3.93Å; M443-L587 HydrophobicContact CE-CD2 3.48Å; M443-L587 VanDerWaalsContact CE-CD2 3.48Å; M443-L587 HydrophobicContact CE-CG 4.31Å; M443-L587 VanDerWaalsContact CE-O 3.29Å; M443-L587 WeakPolarHBondContact CE-O 3.44Å; M443-L587 HydrophobicContact SD-CD2 4.15Å; M443-L590 HydrophobicContact CE-CB 3.93Å; M443-L590 HydrophobicContact CG-CB 4.02Å; M443-L590 HydrophobicContact CG-CD1 4.15Å; M443-A591 HydrophobicContact CE-CB 4.3Å
444N70.2Confident82Confident71 Ų7160.7 Ų60.738%0.3834%0.336SS..  trans-85.1110.3172.8-173.7-22000108.3V442 N446 K447V442-N444 PolarHBondContact O-N 3.03Å; N444-N446 PolarHBondContact O-N 3.46Å; N444-N446 VanDerWaalsContact O-N 3.09Å; N444-N446 WeakPolarHBondContact OD1-CB 3.44Å; N444-N446 PolarHBondContact OD1-N 2.83Å; N444-K447 HydrophobicContact CB-CB 4.16Å; N444-K447 HydrophobicContact CB-CD 4.16Å; N444-K447 HydrophobicContact CB-CG 4.04Å; N444-K447 PolarHBondContact O-N 2.95Å
445P64.6Low82.5Confident118 Ų11860.4 Ų60.477%0.76634%0.335SS*.THydrogen-bonded Turntrans-60.3-22.4-179.523.2-32.4000112.9M443M443-P445 WeakPolarHBondContact O-CD 3.43Å
446N63.1Low82.7Confident146 Ų14659.3 Ų59.378%0.78133%0.328SS*.THydrogen-bonded Turntrans-83.5-8.9177.9-59.7-19.3000113.4N444N444-N446 PolarHBondContact O-N 3.46Å; N444-N446 VanDerWaalsContact O-N 3.09Å; N444-N446 WeakPolarHBondContact OD1-CB 3.44Å; N444-N446 PolarHBondContact OD1-N 2.83Å
447K65.7Low82.9Confident132 Ų13262 Ų6257%0.57435%0.347SS*.SBendtrans-100.5115.6175.1-70.6-174.1177.5-178.10108.8N444 N449N444-K447 HydrophobicContact CB-CB 4.16Å; N444-K447 HydrophobicContact CB-CD 4.16Å; N444-K447 HydrophobicContact CB-CG 4.04Å; N444-K447 PolarHBondContact O-N 2.95Å; K447-N449 PolarHBondContact O-N 3.16Å
448N64.3Low82.9Confident128 Ų12859.3 Ų59.368%0.68433%0.328SS*.  trans-71.352.9173.9-71.1-3.5000112.5S450N448-S450 PolarHBondContact O-N 2.8Å
449N79.4Confident82.8Confident81 Ų8159.1 Ų59.143%0.43333%0.328SS..  trans-85.7105.7173.3-71.8-10.7000108.1K447 I454K447-N449 PolarHBondContact O-N 3.16Å; N449-I454 HydrophobicContact CB-CD1 4.14Å; N449-I454 HydrophobicContact CB-CG1 3.94Å
450S88.8Confident82.6Confident26 Ų2659.3 Ų59.318%0.18232%0.324CS..  trans-54.2145.4167.256.60000110.5N448 D452 K453 I454 N595N448-S450 PolarHBondContact O-N 2.8Å; S450-D452 PolarHBondContact O-N 3.36Å; S450-D452 VanDerWaalsContact O-N 3.13Å; S450-K453 WeakPolarHBondContact O-CB 3.43Å; S450-K453 PolarHBondContact O-N 3.23Å; S450-K453 WeakPolarHBondContact OG-CD 3.35Å; S450-K453 VanDerWaalsContact OG-CG 3.29Å; S450-K453 WeakPolarHBondContact OG-CG 3.27Å; S450-I454 PolarHBondContact O-N 2.96Å; S450-N595 CarbonylContact C-O 3.5Å; S450-N595 WeakPolarHBondContact CA-O 3.43Å
451V92.6Very high82.5Confident0 Ų057 Ų570%031%0.308CS..Hα-helixtrans-49.7-41.6177.1170.70000111.6K453 I454 V455 V584 L587 N588 A591 N595V451-K453 VanDerWaalsContact C-N 3.32Å; V451-K453 PolarHBondContact O-N 3.37Å; V451-I454 WeakPolarHBondContact O-CB 3.3Å; V451-I454 PolarHBondContact O-N 3.37Å; V451-I454 VanDerWaalsContact O-N 3.08Å; V451-V455 HydrophobicContact CG1-CG2 4.18Å; V451-V455 WeakPolarHBondContact O-CG2 3.33Å; V451-V455 PolarHBondContact O-N 2.92Å; V451-V584 HydrophobicContact CG1-CG1 4.44Å; V451-L587 HydrophobicContact CB-CB 4.35Å; V451-L587 HydrophobicContact CG1-CB 3.65Å; V451-L587 HydrophobicContact CG1-CD1 4.06Å; V451-L587 HydrophobicContact CG2-CB 3.86Å; V451-N588 WeakPolarHBondContact CG2-OD1 3.37Å; V451-A591 HydrophobicContact CG2-CB 3.69Å; V451-N595 WeakPolarHBondContact CG2-O 3.48Å; V451-N595 PolarHBondContact N-O 3.06Å
452D92.7Very high82.4Confident13 Ų1359.5 Ų59.57%0.0733%0.326CS..Hα-helixtrans-56.9-41.7177.9-64.4-35.3000113S450 S456 L463 S597 K598 L599 F600S450-D452 PolarHBondContact O-N 3.36Å; S450-D452 VanDerWaalsContact O-N 3.13Å; D452-S456 WeakPolarHBondContact O-CB 3.1Å; D452-S456 PolarHBondContact O-N 3.07Å; D452-L463 HydrophobicContact CB-CD2 4.15Å; D452-S597 WeakPolarHBondContact OD1-CA 3.32Å; D452-S597 VanDerWaalsContact OD1-CB 3.25Å; D452-S597 WeakPolarHBondContact OD1-CB 3.09Å; D452-S597 PolarHBondContact OD1-OG 3.02Å; D452-K598 PolarHBondContact OD2-N 2.8Å; D452-L599 HydrophobicContact CB-CD1 4.12Å; D452-F600 WeakPolarHBondContact OD1-CD2 3.36Å
453K91.2Very high82.5Confident118 Ų11859 Ų5951%0.51332%0.321SS..Hα-helixtrans-68.4-37.2177.2-74.2175.8-177.11770111.7S450 V451 S457 L463S450-K453 WeakPolarHBondContact O-CB 3.43Å; S450-K453 PolarHBondContact O-N 3.23Å; S450-K453 WeakPolarHBondContact OG-CD 3.35Å; S450-K453 VanDerWaalsContact OG-CG 3.29Å; S450-K453 WeakPolarHBondContact OG-CG 3.27Å; V451-K453 VanDerWaalsContact C-N 3.32Å; V451-K453 PolarHBondContact O-N 3.37Å; K453-S457 VanDerWaalsContact O-CB 3.3Å; K453-S457 WeakPolarHBondContact O-CB 3.29Å; K453-S457 PolarHBondContact O-N 2.79Å; K453-S457 PolarHBondContact O-OG 2.86Å; K453-L463 HydrophobicContact CG-CD1 4.11Å
454I91Very high83Confident16 Ų1658.9 Ų58.98%0.08232%0.324CS..Hα-helixtrans-65.1-52.8177.3-60.5175.9000108.8L441 M443 N449 S450 V451 S456 S457 Q458 L587L441-I454 HydrophobicContact CD2-CG2 4.42Å; M443-I454 HydrophobicContact CE-CD1 3.96Å; M443-I454 HydrophobicContact SD-CD1 3.41Å; M443-I454 WeakPolarHBondContact SD-CD1 2.95Å; N449-I454 HydrophobicContact CB-CD1 4.14Å; N449-I454 HydrophobicContact CB-CG1 3.94Å; S450-I454 PolarHBondContact O-N 2.96Å; V451-I454 WeakPolarHBondContact O-CB 3.3Å; V451-I454 PolarHBondContact O-N 3.37Å; V451-I454 VanDerWaalsContact O-N 3.08Å; I454-S456 PolarHBondContact O-N 2.87Å; I454-S457 PolarHBondContact O-N 3.31Å; I454-S457 VanDerWaalsContact O-N 3.14Å; I454-S457 PolarHBondContact O-OG 2.8Å; I454-Q458 HydrophobicContact CG2-CG 4.47Å; I454-Q458 WeakPolarHBondContact O-CG 3.04Å; I454-Q458 PolarHBondContact O-N 3.04Å; I454-L587 HydrophobicContact CB-CD1 4.47Å; I454-L587 HydrophobicContact CG2-CD1 4.08Å; I454-L587 HydrophobicContact CG2-CD2 4.27Å
455V91.7Very high83.5Confident0 Ų064.4 Ų64.40%035%0.347CS..Hα-helixtrans-58.1-48.1178.2177.50000110.8V451 S457 Q458 L459 V583 V584 L587 F600V451-V455 HydrophobicContact CG1-CG2 4.18Å; V451-V455 WeakPolarHBondContact O-CG2 3.33Å; V451-V455 PolarHBondContact O-N 2.92Å; V455-S457 VanDerWaalsContact C-N 3.33Å; V455-S457 PolarHBondContact O-N 2.77Å; V455-Q458 PolarHBondContact O-N 3.26Å; V455-L459 HydrophobicContact CG1-CD1 3.55Å; V455-L459 HydrophobicContact CG1-CG 4.11Å; V455-L459 WeakPolarHBondContact O-CB 3.48Å; V455-L459 WeakPolarHBondContact O-CG 3.13Å; V455-L459 PolarHBondContact O-N 2.8Å; V455-V583 HydrophobicContact CG2-CG1 4.36Å; V455-V584 HydrophobicContact CG2-CG2 4.28Å; V455-L587 HydrophobicContact CG2-CD1 3.62Å; V455-F600 HydrophobicContact CB-CE2 4.07Å; V455-F600 HydrophobicContact CB-CZ 4.32Å; V455-F600 HydrophobicContact CG1-CE1 4.35Å; V455-F600 HydrophobicContact CG1-CE2 3.76Å; V455-F600 HydrophobicContact CG1-CZ 3.52Å
456S90.7Very high84.3Confident26 Ų2665.8 Ų65.818%0.18234%0.343CS..Hα-helixtrans-55.3-45.1175.1169.70000112.3D452 I454 Q458 N460 I461D452-S456 WeakPolarHBondContact O-CB 3.1Å; D452-S456 PolarHBondContact O-N 3.07Å; I454-S456 PolarHBondContact O-N 2.87Å; S456-Q458 PolarHBondContact O-N 3Å; S456-N460 WeakPolarHBondContact O-CA 3.37Å; S456-N460 PolarHBondContact O-N 2.66Å; S456-I461 WeakPolarHBondContact CB-O 3.13Å; S456-I461 PolarHBondContact O-N 3.14Å; S456-I461 PolarHBondContact OG-O 2.81Å
457S89.4Confident85.2Confident61 Ų6162.5 Ų62.543%0.42733%0.328SS..Hα-helixtrans-66.5-36.4179.774.90000113.6K453 I454 V455K453-S457 VanDerWaalsContact O-CB 3.3Å; K453-S457 WeakPolarHBondContact O-CB 3.29Å; K453-S457 PolarHBondContact O-N 2.79Å; K453-S457 PolarHBondContact O-OG 2.86Å; I454-S457 PolarHBondContact O-N 3.31Å; I454-S457 VanDerWaalsContact O-N 3.14Å; I454-S457 PolarHBondContact O-OG 2.8Å; V455-S457 VanDerWaalsContact C-N 3.33Å; V455-S457 PolarHBondContact O-N 2.77Å
458Q88.9Confident86Confident34 Ų3457.2 Ų57.216%0.15931%0.307CS..Hα-helixtrans-77.9-37.2-179.3-63.3-54-66.800111.6L400 I454 V455 S456L400-Q458 HydrophobicContact CD1-CB 4.35Å; L400-Q458 HydrophobicContact CD1-CG 3.92Å; L400-Q458 HydrophobicContact CD2-CB 4.07Å; L400-Q458 HydrophobicContact CD2-CG 4.35Å; I454-Q458 HydrophobicContact CG2-CG 4.47Å; I454-Q458 WeakPolarHBondContact O-CG 3.04Å; I454-Q458 PolarHBondContact O-N 3.04Å; V455-Q458 PolarHBondContact O-N 3.26Å; S456-Q458 PolarHBondContact O-N 3Å
459L86.8Confident86.9Confident4 Ų458.1 Ų58.12%0.02131%0.307CS..Hα-helixtrans-97.2-7.3-175.1-55.6-172.5000113.8L397 V455 I461 L580 L674 F675L397-L459 HydrophobicContact CD2-CD1 4.1Å; L397-L459 HydrophobicContact CD2-CD2 3.89Å; V455-L459 HydrophobicContact CG1-CD1 3.55Å; V455-L459 HydrophobicContact CG1-CG 4.11Å; V455-L459 WeakPolarHBondContact O-CB 3.48Å; V455-L459 WeakPolarHBondContact O-CG 3.13Å; V455-L459 PolarHBondContact O-N 2.8Å; L459-I461 VanDerWaalsContact C-N 3.33Å; L459-I461 HydrophobicContact CB-CD1 3.45Å; L459-I461 VanDerWaalsContact CB-CD1 3.45Å; L459-I461 HydrophobicContact CB-CG1 3.67Å; L459-I461 HydrophobicContact CD1-CD1 3.6Å; L459-I461 HydrophobicContact CG-CD1 4.16Å; L459-L580 HydrophobicContact CD1-CD1 4.04Å; L459-L674 WeakPolarHBondContact O-CA 3.16Å; L459-F675 HydrophobicContact CD2-CD1 4.06Å; L459-F675 HydrophobicContact CD2-CE1 3.28Å; L459-F675 HydrophobicContact CD2-CE2 3.98Å; L459-F675 HydrophobicContact CD2-CZ 3.27Å; L459-F675 PolarHBondContact O-N 3.23Å
460N86.2Confident87.5Confident64 Ų6454.8 Ų54.834%0.34229%0.29SS..THydrogen-bonded Turntrans56.842.6-173.4-165.241.9000113.1S456 S673S456-N460 WeakPolarHBondContact O-CA 3.37Å; S456-N460 PolarHBondContact O-N 2.66Å; N460-S673 PolarHBondContact ND2-O 3.36Å
461I86.5Confident87.6Confident5 Ų557.2 Ų57.23%0.02630%0.301CS..PPolyproline II helixtrans-98.7128.9-176.9-64.4169.9000109.8S456 L459 L463 F474 I478 L669 L674S456-I461 WeakPolarHBondContact CB-O 3.13Å; S456-I461 PolarHBondContact O-N 3.14Å; S456-I461 PolarHBondContact OG-O 2.81Å; L459-I461 VanDerWaalsContact C-N 3.33Å; L459-I461 HydrophobicContact CB-CD1 3.45Å; L459-I461 VanDerWaalsContact CB-CD1 3.45Å; L459-I461 HydrophobicContact CB-CG1 3.67Å; L459-I461 HydrophobicContact CD1-CD1 3.6Å; L459-I461 HydrophobicContact CG-CD1 4.16Å; I461-L463 PolarHBondContact O-N 3.13Å; I461-F474 HydrophobicContact CG2-CZ 3.97Å; I461-I478 HydrophobicContact CD1-CB 4.44Å; I461-I478 HydrophobicContact CD1-CD1 3.84Å; I461-I478 HydrophobicContact CD1-CG1 4Å; I461-I478 HydrophobicContact CD1-CG2 3.58Å; I461-I478 HydrophobicContact CG2-CD1 4.01Å; I461-I478 HydrophobicContact CG2-CG1 4.3Å; I461-L669 HydrophobicContact CG2-CD2 4.31Å; I461-L674 HydrophobicContact CG1-CD2 3.72Å
462P86.5Confident87.7Confident82 Ų8257.8 Ų57.853%0.53230%0.303SS..PPolyproline II helixtrans-65.7128.2172.827.5-33.4000110.6L669P462-L669 HydrophobicContact CG-CD2 3.83Å
463L85.6Confident87.8Confident68 Ų6857.2 Ų57.236%0.35630%0.3SS..PPolyproline II helixtrans-80.2127.7176.1-66.7177.5000110.2D452 K453 I461 L599D452-L463 HydrophobicContact CB-CD2 4.15Å; K453-L463 HydrophobicContact CG-CD1 4.11Å; I461-L463 PolarHBondContact O-N 3.13Å; L463-L599 HydrophobicContact CD2-CD1 3.68Å
464P86.1Confident88Confident44 Ų4452 Ų5229%0.28628%0.277SS..PPolyproline II helixtrans-66.4148.617130.1-36000110.6H466 P468 F474 L599P464-H466 VanDerWaalsContact C-N 3.27Å; P464-H466 PolarHBondContact O-N 2.78Å; P464-P468 HydrophobicContact CB-CG 4.38Å; P464-P468 HydrophobicContact CG-CG 4.05Å; P464-F474 HydrophobicContact CG-CD2 4.37Å; P464-F474 HydrophobicContact CG-CE2 4.06Å; P464-F474 HydrophobicContact CG-CZ 4.22Å; P464-L599 HydrophobicContact CG-CD1 4.11Å; P464-L599 HydrophobicContact CG-CD2 3.83Å
465Q81.1Confident88.2Confident187 Ų18751.2 Ų51.287%0.87427%0.273SS*.SBendtrans-70.4-25.6178.2-66.6-178.6-0.800112.9
466H82.3Confident88.4Confident147 Ų14751.2 Ų51.268%0.68127%0.273SS*.SBendtrans-130.3149.6-179.5-59.2-58.4000109.7P464 P468P464-H466 VanDerWaalsContact C-N 3.27Å; P464-H466 PolarHBondContact O-N 2.78Å; H466-P468 VanDerWaalsContact O-CD 3.22Å; H466-P468 WeakPolarHBondContact O-CD 3.2Å; H466-P468 VanDerWaalsContact O-N 3.16Å
467T81.4Confident88.6Confident77 Ų7750 Ų5047%0.47227%0.265SS..  trans-57.7120.3171.3-550000108.6H469 D471T467-H469 PolarHBondContact O-N 2.89Å; T467-D471 HydrophobicContact CG2-CB 4.46Å
468P83.3Confident88.9Confident20 Ų2047.4 Ų47.413%0.1325%0.246CC..  trans-58.7141177.8-29.341000110.6P464 H466 P470 D471 I473 F474P464-P468 HydrophobicContact CB-CG 4.38Å; P464-P468 HydrophobicContact CG-CG 4.05Å; H466-P468 VanDerWaalsContact O-CD 3.22Å; H466-P468 WeakPolarHBondContact O-CD 3.2Å; H466-P468 VanDerWaalsContact O-N 3.16Å; P468-P470 CarbonylContact C-O 3.52Å; P468-P470 CarbonylContact O-C 3.18Å; P468-P470 VanDerWaalsContact O-O 3.12Å; P468-D471 VanDerWaalsContact O-CA 3.24Å; P468-D471 WeakPolarHBondContact O-CA 3.48Å; P468-D471 PolarHBondContact O-N 3.33Å; P468-I473 HydrophobicContact CB-CG2 3.5Å; P468-F474 HydrophobicContact CG-CB 4.04Å; P468-F474 HydrophobicContact CG-CD2 4.35Å; P468-F474 HydrophobicContact CG-CG 4.37Å
469H83.6Confident89.2Confident148 Ų14845.8 Ų45.869%0.68524%0.239SC*.SBendtrans-106128.5168.1-167.5-35.2000108.4T467 R661T467-H469 PolarHBondContact O-N 2.89Å; H469-R661 PolarHBondContact O-NH1 3.49Å
470P91.3Very high89.6Confident11 Ų1145.6 Ų45.67%0.07124%0.238CC..SBendcis-69156.8-8.931.8-35.2000112.6P468 W472 I473 I658P468-P470 CarbonylContact C-O 3.52Å; P468-P470 CarbonylContact O-C 3.18Å; P468-P470 VanDerWaalsContact O-O 3.12Å; P470-W472 VanDerWaalsContact C-N 3.28Å; P470-W472 HydrophobicContact CB-CZ2 4.29Å; P470-W472 HydrophobicContact CG-CD2 4.18Å; P470-W472 VanDerWaalsContact CG-CE2 3.45Å; P470-W472 HydrophobicContact CG-CH2 4.23Å; P470-W472 HydrophobicContact CG-CZ2 3.49Å; P470-W472 VanDerWaalsContact CG-CZ2 3.49Å; P470-W472 PolarHBondContact O-N 2.78Å; P470-I473 HydrophobicContact CG-CB 4.34Å; P470-I473 WeakPolarHBondContact O-CB 3.34Å; P470-I473 WeakPolarHBondContact O-CG2 3.36Å; P470-I473 PolarHBondContact O-N 2.82Å; P470-I658 HydrophobicContact CG-CD1 4.34Å; P470-I658 HydrophobicContact CG-CG2 4.04Å
471D91.8Very high89.9Confident77 Ų7742.6 Ų42.641%0.41222%0.221SC..THydrogen-bonded Turntrans-66.8-21.8-168.365.3-12.8000115T467 P468 N601T467-D471 HydrophobicContact CG2-CB 4.46Å; P468-D471 VanDerWaalsContact O-CA 3.24Å; P468-D471 WeakPolarHBondContact O-CA 3.48Å; P468-D471 PolarHBondContact O-N 3.33Å; D471-N601 HydrophobicContact CB-CB 4.3Å; D471-N601 WeakPolarHBondContact CB-ND2 3.45Å; D471-N601 PolarHBondContact O-ND2 3.16Å
472W93.8Very high90.2Very high12 Ų1242.8 Ų42.85%0.04522%0.222CC..THydrogen-bonded Turntrans-84.6-15.1177.256.4-99.1000114.4P470 F474 S475 L476 V513 V516 F517 L603 L608 I658P470-W472 VanDerWaalsContact C-N 3.28Å; P470-W472 HydrophobicContact CB-CZ2 4.29Å; P470-W472 HydrophobicContact CG-CD2 4.18Å; P470-W472 VanDerWaalsContact CG-CE2 3.45Å; P470-W472 HydrophobicContact CG-CH2 4.23Å; P470-W472 HydrophobicContact CG-CZ2 3.49Å; P470-W472 VanDerWaalsContact CG-CZ2 3.49Å; P470-W472 PolarHBondContact O-N 2.78Å; W472-F474 PolarHBondContact O-N 2.88Å; W472-S475 PolarHBondContact O-N 2.71Å; W472-L476 HydrophobicContact CE3-CD2 4.33Å; W472-L476 HydrophobicContact CZ3-CD2 3.89Å; W472-L476 PolarHBondContact O-N 2.89Å; W472-V513 HydrophobicContact CH2-CG2 4.09Å; W472-V516 HydrophobicContact CH2-CG2 4.31Å; W472-V516 HydrophobicContact CZ2-CB 4.12Å; W472-V516 HydrophobicContact CZ2-CG1 3.73Å; W472-V516 HydrophobicContact CZ2-CG2 4.03Å; W472-F517 HydrophobicContact CZ2-CE2 4.45Å; W472-L603 HydrophobicContact CB-CD1 3.86Å; W472-L603 HydrophobicContact CB-CD2 4.43Å; W472-L603 HydrophobicContact CB-CG 3.69Å; W472-L603 HydrophobicContact CD2-CD1 3.76Å; W472-L603 HydrophobicContact CE3-CD1 4.46Å; W472-L603 HydrophobicContact CG-CD1 3.44Å; W472-L603 VanDerWaalsContact CG-CD1 3.44Å; W472-L603 HydrophobicContact CG-CG 3.85Å; W472-L608 HydrophobicContact CE3-CD2 4.43Å; W472-I658 HydrophobicContact CH2-CG2 4.2Å; W472-I658 HydrophobicContact CZ2-CG2 4.43Å
473I95Very high90.5Very high0 Ų038.9 Ų38.90%020%0.197CC..Hα-helixtrans-61.5-34.1-172.3-159.7176.3000111.7P468 P470 L476 A477 I658 R661 L662P468-I473 HydrophobicContact CB-CG2 3.5Å; P470-I473 HydrophobicContact CG-CB 4.34Å; P470-I473 WeakPolarHBondContact O-CB 3.34Å; P470-I473 WeakPolarHBondContact O-CG2 3.36Å; P470-I473 PolarHBondContact O-N 2.82Å; I473-L476 PolarHBondContact O-N 2.82Å; I473-A477 VanDerWaalsContact O-CB 3.26Å; I473-A477 WeakPolarHBondContact O-CB 3.22Å; I473-A477 PolarHBondContact O-N 3.43Å; I473-I658 HydrophobicContact CD1-CG2 4.18Å; I473-R661 HydrophobicContact CD1-CB 4.13Å; I473-R661 HydrophobicContact CD1-CG 4.02Å; I473-L662 HydrophobicContact CD1-CB 3.97Å; I473-L662 HydrophobicContact CG1-CB 3.96Å; I473-L662 HydrophobicContact CG1-CD1 4.01Å
474F94.5Very high90.7Very high9 Ų935.7 Ų35.74%0.03918%0.18CC..Hα-helixtrans-69.1-47-176.1-170.3-117.5000112.1I461 P464 P468 W472 L476 A477 I478 L599 F600I461-F474 HydrophobicContact CG2-CZ 3.97Å; P464-F474 HydrophobicContact CG-CD2 4.37Å; P464-F474 HydrophobicContact CG-CE2 4.06Å; P464-F474 HydrophobicContact CG-CZ 4.22Å; P468-F474 HydrophobicContact CG-CB 4.04Å; P468-F474 HydrophobicContact CG-CD2 4.35Å; P468-F474 HydrophobicContact CG-CG 4.37Å; W472-F474 PolarHBondContact O-N 2.88Å; F474-L476 VanDerWaalsContact C-N 3.3Å; F474-L476 PolarHBondContact O-N 2.96Å; F474-A477 PolarHBondContact O-N 2.84Å; F474-I478 HydrophobicContact CD1-CD1 3.75Å; F474-I478 HydrophobicContact CD2-CD1 4.35Å; F474-I478 HydrophobicContact CE1-CD1 3.41Å; F474-I478 VanDerWaalsContact CE1-CD1 3.41Å; F474-I478 HydrophobicContact CE2-CD1 4.04Å; F474-I478 HydrophobicContact CG-CD1 4.22Å; F474-I478 HydrophobicContact CZ-CD1 3.57Å; F474-I478 HydrophobicContact CZ-CG1 4.45Å; F474-I478 WeakPolarHBondContact O-CG1 3.47Å; F474-I478 PolarHBondContact O-N 2.79Å; F474-L599 HydrophobicContact CD1-CB 3.99Å; F474-L599 HydrophobicContact CE1-CB 4.09Å; F474-L599 HydrophobicContact CE1-CD1 4.42Å; F474-F600 HydrophobicContact CD1-CD1 4.46Å; F474-F600 HydrophobicContact CD1-CE1 4.3Å; F474-F600 HydrophobicContact CD1-CZ 4.42Å; F474-F600 HydrophobicContact CE1-CE1 4.16Å; F474-F600 HydrophobicContact CE1-CE2 4.18Å; F474-F600 AromaticContact CE1-CZ 3.86Å; F474-F600 HydrophobicContact CE1-CZ 3.86Å
475S95.4Very high90.8Very high0 Ų035.4 Ų35.40%018%0.175CC..Hα-helixtrans-60.2-41.1176.4-50.80000111.6W472 T479 F600 N601W472-S475 PolarHBondContact O-N 2.71Å; S475-T479 WeakPolarHBondContact O-CB 3.04Å; S475-T479 PolarHBondContact O-N 2.81Å; S475-T479 PolarHBondContact O-OG1 3.32Å; S475-F600 WeakPolarHBondContact OG-CA 3.37Å; S475-N601 VanDerWaalsContact CB-O 3.25Å; S475-N601 WeakPolarHBondContact CB-O 3.38Å; S475-N601 PolarHBondContact OG-N 3.35Å; S475-N601 VanDerWaalsContact OG-N 3.16Å; S475-N601 PolarHBondContact OG-O 3.01Å
476L96.6Very high90.9Very high0 Ų028 Ų280%014%0.14CC..Hα-helixtrans-68.9-41.2176.1-178.162000111.5W472 I473 F474 I478 T479 L480 A512 L608 L662W472-L476 HydrophobicContact CE3-CD2 4.33Å; W472-L476 HydrophobicContact CZ3-CD2 3.89Å; W472-L476 PolarHBondContact O-N 2.89Å; I473-L476 PolarHBondContact O-N 2.82Å; F474-L476 VanDerWaalsContact C-N 3.3Å; F474-L476 PolarHBondContact O-N 2.96Å; L476-I478 PolarHBondContact O-N 3.01Å; L476-T479 WeakPolarHBondContact O-CB 3.36Å; L476-T479 PolarHBondContact O-N 2.91Å; L476-L480 HydrophobicContact CD1-CD1 4.14Å; L476-L480 HydrophobicContact CD1-CG 4.13Å; L476-L480 HydrophobicContact CG-CD1 3.96Å; L476-L480 HydrophobicContact CG-CG 4.35Å; L476-L480 WeakPolarHBondContact O-CG 3.42Å; L476-L480 PolarHBondContact O-N 3.28Å; L476-A512 HydrophobicContact CD2-CB 3.96Å; L476-L608 HydrophobicContact CD2-CD2 4.22Å; L476-L662 HydrophobicContact CB-CD1 4.46Å; L476-L662 HydrophobicContact CD2-CD1 4.33Å; L476-L662 HydrophobicContact CD2-CD2 3.73Å; L476-L662 HydrophobicContact CG-CD1 4.25Å; L476-L662 HydrophobicContact CG-CD2 4.39Å
477A95.6Very high90.9Very high0 Ų022.1 Ų22.10%011%0.113CC..Hα-helixtrans-62.1-44.8179.600000112.2I473 F474 T479 L480 A481 L662 I665 V666I473-A477 VanDerWaalsContact O-CB 3.26Å; I473-A477 WeakPolarHBondContact O-CB 3.22Å; I473-A477 PolarHBondContact O-N 3.43Å; F474-A477 PolarHBondContact O-N 2.84Å; A477-T479 VanDerWaalsContact C-N 3.31Å; A477-T479 PolarHBondContact O-N 2.92Å; A477-L480 PolarHBondContact O-N 2.94Å; A477-A481 VanDerWaalsContact O-CB 3.27Å; A477-A481 WeakPolarHBondContact O-CB 3.47Å; A477-A481 PolarHBondContact O-N 3.24Å; A477-L662 HydrophobicContact CB-CD1 3.73Å; A477-I665 HydrophobicContact CB-CB 4.04Å; A477-I665 HydrophobicContact CB-CG2 3.53Å; A477-V666 HydrophobicContact CB-CG2 3.93Å
478I94.3Very high90.9Very high7 Ų720.2 Ų20.24%0.03610%0.1CC..Hα-helixtrans-61.6-42.7175.8-69.4165.8000110.8I461 F474 L476 A481 F482 L580 F600 L669I461-I478 HydrophobicContact CD1-CB 4.44Å; I461-I478 HydrophobicContact CD1-CD1 3.84Å; I461-I478 HydrophobicContact CD1-CG1 4Å; I461-I478 HydrophobicContact CD1-CG2 3.58Å; I461-I478 HydrophobicContact CG2-CD1 4.01Å; I461-I478 HydrophobicContact CG2-CG1 4.3Å; F474-I478 HydrophobicContact CD1-CD1 3.75Å; F474-I478 HydrophobicContact CD2-CD1 4.35Å; F474-I478 HydrophobicContact CE1-CD1 3.41Å; F474-I478 VanDerWaalsContact CE1-CD1 3.41Å; F474-I478 HydrophobicContact CE2-CD1 4.04Å; F474-I478 HydrophobicContact CG-CD1 4.22Å; F474-I478 HydrophobicContact CZ-CD1 3.57Å; F474-I478 HydrophobicContact CZ-CG1 4.45Å; F474-I478 WeakPolarHBondContact O-CG1 3.47Å; F474-I478 PolarHBondContact O-N 2.79Å; L476-I478 PolarHBondContact O-N 3.01Å; I478-A481 PolarHBondContact O-N 2.79Å; I478-F482 WeakPolarHBondContact O-CB 3.28Å; I478-F482 PolarHBondContact O-N 2.89Å; I478-L580 HydrophobicContact CB-CD2 4.27Å; I478-L580 HydrophobicContact CG2-CD2 3.85Å; I478-F600 HydrophobicContact CD1-CD1 4.37Å; I478-F600 HydrophobicContact CD1-CE1 3.32Å; I478-F600 HydrophobicContact CD1-CZ 3.64Å; I478-L669 HydrophobicContact CG1-CD1 3.9Å
479T95.4Very high90.6Very high0 Ų024.9 Ų24.90%012%0.123CC..Hα-helixtrans-57.7-51.9177.3-60.90000111.2S475 L476 A477 F482 W483 V573 I576 Y577S475-T479 WeakPolarHBondContact O-CB 3.04Å; S475-T479 PolarHBondContact O-N 2.81Å; S475-T479 PolarHBondContact O-OG1 3.32Å; L476-T479 WeakPolarHBondContact O-CB 3.36Å; L476-T479 PolarHBondContact O-N 2.91Å; A477-T479 VanDerWaalsContact C-N 3.31Å; A477-T479 PolarHBondContact O-N 2.92Å; T479-F482 PolarHBondContact O-N 2.87Å; T479-W483 PolarHBondContact O-N 2.99Å; T479-V573 HydrophobicContact CG2-CG1 3.94Å; T479-V573 WeakPolarHBondContact CG2-O 3.39Å; T479-I576 HydrophobicContact CG2-CB 4.16Å; T479-I576 HydrophobicContact CG2-CG2 3.8Å; T479-Y577 HydrophobicContact CG2-CD2 4.02Å; T479-Y577 HydrophobicContact CG2-CG 4.42Å; T479-Y577 VanDerWaalsContact OG1-CD2 3.32Å; T479-Y577 WeakPolarHBondContact OG1-CD2 3.47Å
480L95.7Very high90.1Very high0 Ų023 Ų230%012%0.118CC..Hα-helixtrans-67.5-39.1-178.6-68.6174.5000111.8L476 A477 F482 W483 H484 F499 I508 A509 V573 L662 V666L476-L480 HydrophobicContact CD1-CD1 4.14Å; L476-L480 HydrophobicContact CD1-CG 4.13Å; L476-L480 HydrophobicContact CG-CD1 3.96Å; L476-L480 HydrophobicContact CG-CG 4.35Å; L476-L480 WeakPolarHBondContact O-CG 3.42Å; L476-L480 PolarHBondContact O-N 3.28Å; A477-L480 PolarHBondContact O-N 2.94Å; L480-F482 VanDerWaalsContact C-N 3.35Å; L480-W483 PolarHBondContact O-N 3.49Å; L480-H484 WeakPolarHBondContact O-CB 3.31Å; L480-H484 PolarHBondContact O-N 3.09Å; L480-F499 HydrophobicContact CB-CE2 4.15Å; L480-F499 HydrophobicContact CB-CZ 4.27Å; L480-F499 HydrophobicContact CD1-CZ 4.01Å; L480-I508 HydrophobicContact CD2-CB 4.47Å; L480-I508 HydrophobicContact CD2-CG2 3.8Å; L480-A509 HydrophobicContact CD1-CB 4.19Å; L480-V573 HydrophobicContact CD2-CG1 4.03Å; L480-V573 HydrophobicContact CD2-CG2 4.44Å; L480-L662 HydrophobicContact CD1-CD1 4.37Å; L480-L662 HydrophobicContact CD1-CD2 4.32Å; L480-V666 HydrophobicContact CB-CG1 4Å; L480-V666 HydrophobicContact CB-CG2 3.83Å; L480-V666 HydrophobicContact CD1-CG2 4.24Å
481A93.2Very high89.1Confident0 Ų023.8 Ų23.80%013%0.126CC..Hα-helixtrans-63.2-42.8176.300000111.6A477 I478 H484 Q485 V666 L669 L674A477-A481 VanDerWaalsContact O-CB 3.27Å; A477-A481 WeakPolarHBondContact O-CB 3.47Å; A477-A481 PolarHBondContact O-N 3.24Å; I478-A481 PolarHBondContact O-N 2.79Å; A481-H484 PolarHBondContact O-N 3.37Å; A481-Q485 WeakPolarHBondContact O-CB 3.37Å; A481-Q485 PolarHBondContact O-N 3.39Å; A481-V666 HydrophobicContact CB-CG1 4.21Å; A481-L669 HydrophobicContact CB-CB 3.5Å; A481-L669 HydrophobicContact CB-CD1 4.3Å; A481-L674 HydrophobicContact CB-CD1 4.17Å
482F91.4Very high87.7Confident9 Ų927 Ų274%0.03914%0.143CC..Hα-helixtrans-65.4-42.7178.2-172.1-121.1000112.4Y393 N396 L397 I478 T479 L480 Q486 I576 L674 F675Y393-F482 WeakPolarHBondContact O-CE1 3.28Å; N396-F482 HydrophobicContact CB-CZ 4.17Å; L397-F482 HydrophobicContact CD1-CD1 4.2Å; L397-F482 HydrophobicContact CD1-CE1 4.03Å; L397-F482 HydrophobicContact CG-CE1 4.22Å; I478-F482 WeakPolarHBondContact O-CB 3.28Å; I478-F482 PolarHBondContact O-N 2.89Å; T479-F482 PolarHBondContact O-N 2.87Å; L480-F482 VanDerWaalsContact C-N 3.35Å; F482-Q486 WeakPolarHBondContact O-CG 3.47Å; F482-Q486 PolarHBondContact O-N 2.99Å; F482-I576 HydrophobicContact CB-CG2 4.21Å; F482-I576 HydrophobicContact CD1-CB 4.26Å; F482-I576 HydrophobicContact CD1-CD1 3.65Å; F482-I576 HydrophobicContact CD1-CG1 3.68Å; F482-I576 HydrophobicContact CD1-CG2 3.57Å; F482-I576 HydrophobicContact CE1-CD1 4.29Å; F482-I576 HydrophobicContact CE1-CG1 4.07Å; F482-I576 HydrophobicContact CE1-CG2 4.44Å; F482-I576 HydrophobicContact CG-CG2 4.35Å; F482-L674 HydrophobicContact CB-CD1 4.47Å; F482-F675 HydrophobicContact CD2-CD2 4.14Å; F482-F675 AromaticContact CD2-CE2 3.46Å; F482-F675 HydrophobicContact CD2-CE2 3.46Å; F482-F675 VanDerWaalsContact CD2-CE2 3.46Å; F482-F675 HydrophobicContact CD2-CZ 4.39Å; F482-F675 HydrophobicContact CE1-CE2 4.46Å; F482-F675 AromaticContact CE2-CD2 3.52Å; F482-F675 HydrophobicContact CE2-CD2 3.52Å; F482-F675 AromaticContact CE2-CE2 2.89Å; F482-F675 HydrophobicContact CE2-CE2 2.89Å; F482-F675 AromaticContact CE2-CZ 3.67Å; F482-F675 HydrophobicContact CE2-CZ 3.67Å; F482-F675 HydrophobicContact CG-CE2 4.46Å; F482-F675 HydrophobicContact CZ-CD2 4.31Å; F482-F675 AromaticContact CZ-CE2 3.45Å; F482-F675 HydrophobicContact CZ-CE2 3.45Å; F482-F675 VanDerWaalsContact CZ-CE2 3.45Å; F482-F675 AromaticContact CZ-CZ 3.71Å; F482-F675 HydrophobicContact CZ-CZ 3.71Å
483W92.2Very high85.7Confident0 Ų036.4 Ų36.40%019%0.188CC..Hα-helixtrans-61.8-48.9172.7164.374.5000111.4T479 L480 Q485 Q486 H487 F499 I504 N569 V573 I576T479-W483 PolarHBondContact O-N 2.99Å; L480-W483 PolarHBondContact O-N 3.49Å; W483-Q485 PolarHBondContact O-N 3.45Å; W483-Q486 PolarHBondContact O-N 2.94Å; W483-H487 HydrophobicContact CZ2-CB 4.34Å; W483-H487 AromaticContact CZ2-CD2 3.95Å; W483-H487 WeakPolarHBondContact O-CB 3.2Å; W483-H487 PolarHBondContact O-N 3.21Å; W483-F499 HydrophobicContact CE3-CE2 4.47Å; W483-F499 AromaticContact CZ3-CE2 3.97Å; W483-F499 HydrophobicContact CZ3-CE2 3.97Å; W483-I504 HydrophobicContact CH2-CG2 3.64Å; W483-I504 HydrophobicContact CZ2-CG2 3.83Å; W483-N569 HydrophobicContact CZ2-CB 4.14Å; W483-N569 PolarHBondContact NE1-OD1 2.99Å; W483-V573 HydrophobicContact CB-CG2 3.73Å; W483-V573 HydrophobicContact CD2-CG2 3.6Å; W483-V573 HydrophobicContact CE3-CG2 4.22Å; W483-V573 HydrophobicContact CG-CG2 3.32Å; W483-I576 HydrophobicContact CB-CD1 3.68Å
484H91.4Very high83.9Confident2 Ų240.1 Ų40.11%0.00923%0.226CC..Hα-helixtrans-63.9-42.1-174.6-177.7-116000112.4L480 A481 Q486 H487 I488 R497 F499 S670L480-H484 WeakPolarHBondContact O-CB 3.31Å; L480-H484 PolarHBondContact O-N 3.09Å; A481-H484 PolarHBondContact O-N 3.37Å; H484-Q486 VanDerWaalsContact C-N 3.31Å; H484-Q486 PolarHBondContact O-N 3.31Å; H484-H487 WeakPolarHBondContact O-CB 3.37Å; H484-H487 PolarHBondContact O-N 2.85Å; H484-I488 WeakPolarHBondContact CE1-CD1 3.3Å; H484-I488 WeakPolarHBondContact O-CG1 3.18Å; H484-I488 PolarHBondContact O-N 2.96Å; H484-R497 PolarHBondContact CE1-O 3.1Å; H484-F499 HydrophobicContact CB-CD2 4.04Å; H484-F499 AromaticContact CD2-CD2 3.85Å; H484-F499 PolarHBondContact CE1-N 3.45Å; H484-F499 AromaticContact CG-CD2 3.78Å; H484-S670 WeakPolarHBondContact ND1-CB 3.38Å; H484-S670 PolarHBondContact ND1-OG 2.79Å; H484-S670 VanDerWaalsContact ND1-OG 3.16Å
485Q87.2Confident82.3Confident37 Ų3745.3 Ų45.317%0.17325%0.246CC..Hα-helixtrans-60-42.1175.9-169.1-170.76.300111.7A481 W483 N489A481-Q485 WeakPolarHBondContact O-CB 3.37Å; A481-Q485 PolarHBondContact O-N 3.39Å; W483-Q485 PolarHBondContact O-N 3.45Å; Q485-N489 PolarHBondContact O-N 3.32Å; Q485-N489 VanDerWaalsContact O-N 3.1Å; Q485-N489 PolarHBondContact O-ND2 3Å
486Q83.2Confident81Confident31 Ų3148 Ų4815%0.14526%0.258CS..Hα-helixtrans-72.1-36.7177.2-67.4-17624.600112.8Y393 F482 W483 H484 I488 N489 N490Y393-Q486 HydrophobicContact CD1-CB 3.83Å; Y393-Q486 HydrophobicContact CE1-CB 3.91Å; Y393-Q486 PolarHBondContact O-NE2 2.67Å; Y393-Q486 PolarHBondContact O-OE1 2.86Å; F482-Q486 WeakPolarHBondContact O-CG 3.47Å; F482-Q486 PolarHBondContact O-N 2.99Å; W483-Q486 PolarHBondContact O-N 2.94Å; H484-Q486 VanDerWaalsContact C-N 3.31Å; H484-Q486 PolarHBondContact O-N 3.31Å; Q486-I488 VanDerWaalsContact C-N 3.34Å; Q486-N489 PolarHBondContact O-N 3.25Å; Q486-N490 WeakPolarHBondContact O-CB 3.11Å; Q486-N490 VanDerWaalsContact O-CG 3.31Å; Q486-N490 PolarHBondContact O-N 2.9Å; Q486-N490 VanDerWaalsContact O-N 3.07Å; Q486-N490 PolarHBondContact O-ND2 2.96Å
487H82.9Confident80Confident24 Ų2457.1 Ų57.111%0.11129%0.293CS..Hα-helixtrans-58.8-46.9174.5-177.7-87.7000110.6W483 H484 N490 A491 Y495 N569W483-H487 HydrophobicContact CZ2-CB 4.34Å; W483-H487 AromaticContact CZ2-CD2 3.95Å; W483-H487 WeakPolarHBondContact O-CB 3.2Å; W483-H487 PolarHBondContact O-N 3.21Å; H484-H487 WeakPolarHBondContact O-CB 3.37Å; H484-H487 PolarHBondContact O-N 2.85Å; H487-N490 PolarHBondContact O-N 3.38Å; H487-A491 WeakPolarHBondContact O-CB 3.49Å; H487-A491 PolarHBondContact O-N 3.11Å; H487-Y495 AromaticContact CE1-CD1 3.97Å; H487-Y495 AromaticContact CE1-CE1 3.96Å; H487-N569 PolarHBondContact CD2-OD1 2.89Å
488I81.8Confident79.6Confident38 Ų3861 Ų6120%0.19531%0.311CS..Hα-helixtrans-60.8-45.9175.2-68.3164.8000111.3H484 Q486 N490 A491H484-I488 WeakPolarHBondContact CE1-CD1 3.3Å; H484-I488 WeakPolarHBondContact O-CG1 3.18Å; H484-I488 PolarHBondContact O-N 2.96Å; Q486-I488 VanDerWaalsContact C-N 3.34Å; I488-N490 PolarHBondContact O-N 3.45Å; I488-A491 PolarHBondContact O-N 2.96Å
489N77.2Confident79.5Confident118 Ų11860.7 Ų60.763%0.63131%0.309SS*.Hα-helixtrans-65.5-24.4-177.6-71.2-20000113.9Q485 Q486Q485-N489 PolarHBondContact O-N 3.32Å; Q485-N489 VanDerWaalsContact O-N 3.1Å; Q485-N489 PolarHBondContact O-ND2 3Å; Q486-N489 PolarHBondContact O-N 3.25Å
490N73.1Confident79.3Confident107 Ų10763.9 Ų63.957%0.57232%0.324SS*.Hα-helixtrans-94.8-7.8179.9-69.8-27.5000113.3Y393 Q486 H487 I488Y393-N490 PolarHBondContact OH-ND2 2.98Å; Q486-N490 WeakPolarHBondContact O-CB 3.11Å; Q486-N490 VanDerWaalsContact O-CG 3.31Å; Q486-N490 PolarHBondContact O-N 2.9Å; Q486-N490 VanDerWaalsContact O-N 3.07Å; Q486-N490 PolarHBondContact O-ND2 2.96Å; H487-N490 PolarHBondContact O-N 3.38Å; I488-N490 PolarHBondContact O-N 3.45Å
491A69.2Low79.1Confident29 Ų2965.1 Ų65.124%0.2433%0.331CS..SBendtrans-94151.5-175.400000111.9H487 I488 Y495H487-A491 WeakPolarHBondContact O-CB 3.49Å; H487-A491 PolarHBondContact O-N 3.11Å; I488-A491 PolarHBondContact O-N 2.96Å; A491-Y495 HydrophobicContact CB-CD1 4.19Å; A491-Y495 HydrophobicContact CB-CD2 3.43Å; A491-Y495 VanDerWaalsContact CB-CD2 3.43Å; A491-Y495 HydrophobicContact CB-CE2 3.89Å; A491-Y495 HydrophobicContact CB-CG 3.56Å
492D61.8Low79.1Confident143 Ų14365.6 Ų65.677%0.76533%0.334SS*.  trans-64.4160.6176.8-67.8-38.6000112G494D492-G494 PolarHBondContact O-N 3.09Å
493E53.3Low79.1Confident211 Ų21165.9 Ų65.999%0.98634%0.337SS*.THydrogen-bonded Turntrans-54.6109.5175.2-68.6-173.3169.200110.7
494G56.6Low79.2Confident78 Ų7866.2 Ų66.280%0.80434%0.339SS*.THydrogen-bonded Turntrans141.4-12.9179.500000115.4D492D492-G494 PolarHBondContact O-N 3.09Å
495Y61.7Low79.4Confident117 Ų11766.1 Ų66.146%0.45934%0.338SS..  trans-71.7148.1176.8-87.8-99.6000113.6H487 A491 R497H487-Y495 AromaticContact CE1-CD1 3.97Å; H487-Y495 AromaticContact CE1-CE1 3.96Å; A491-Y495 HydrophobicContact CB-CD1 4.19Å; A491-Y495 HydrophobicContact CB-CD2 3.43Å; A491-Y495 VanDerWaalsContact CB-CD2 3.43Å; A491-Y495 HydrophobicContact CB-CE2 3.89Å; A491-Y495 HydrophobicContact CB-CG 3.56Å; Y495-R497 PolarHBondContact O-N 2.95Å
496E66.6Low79.8Confident56 Ų5664.3 Ų64.326%0.26233%0.33SS..  trans-67.3125.7-178.8-68.7160.5-163.400111.6N501 S502 P627 R630E496-N501 HydrophobicContact CB-CB 3.99Å; E496-N501 HydrophobicContact CG-CB 4.03Å; E496-N501 WeakPolarHBondContact OE2-CA 3.29Å; E496-N501 WeakPolarHBondContact OE2-CB 3.49Å; E496-S502 PolarHBondContact OE2-N 3.26Å; E496-P627 HydrophobicContact CG-CB 4.38Å; E496-P627 WeakPolarHBondContact OE1-CB 3.42Å; E496-P627 WeakPolarHBondContact OE1-CG 3.35Å; E496-R630 IonicContact OE1-CZ 2.65Å; E496-R630 IonicContact OE1-NH1 3.74Å; E496-R630 PolarHBondContact OE1-NH1 3.5Å; E496-R630 IonicContact OE1-NH2 3.42Å; E496-R630 IonicContact OE2-NH1 3.59Å; E496-R630 PolarHBondContact OE2-NH1 2.97Å
497R76.4Confident80.5Confident193 Ų19362.9 Ų62.973%0.72832%0.323SS*.  trans-84.3-19.3-177.2-65.3-173177.5-170.5-0.8114.1H484 Y495H484-R497 PolarHBondContact CE1-O 3.1Å; Y495-R497 PolarHBondContact O-N 2.95Å
498H87.1Confident81.1Confident81 Ų8161.8 Ų61.838%0.37532%0.318SS..SBendtrans-99.1130.9-178.7-57.8-70.1000110.3E500 N501 E671H498-E500 HydrophobicContact CB-CG 3.96Å; H498-E500 PolarHBondContact O-N 3.3Å; H498-N501 PolarHBondContact O-N 3.43Å; H498-E671 IonicContact CE1-OE1 3.32Å; H498-E671 IonicContact ND1-OE1 3.82Å; H498-E671 PolarHBondContact ND1-OE1 3.47Å
499F91.8Very high81.8Confident0 Ų060 Ų600%031%0.309CS..THydrogen-bonded Turntrans-60.4-32.2-177.3-177.1-95.4000112.5L480 W483 H484 N501 S502 G505 A509 V663 V666L480-F499 HydrophobicContact CB-CE2 4.15Å; L480-F499 HydrophobicContact CB-CZ 4.27Å; L480-F499 HydrophobicContact CD1-CZ 4.01Å; W483-F499 HydrophobicContact CE3-CE2 4.47Å; W483-F499 AromaticContact CZ3-CE2 3.97Å; W483-F499 HydrophobicContact CZ3-CE2 3.97Å; H484-F499 HydrophobicContact CB-CD2 4.04Å; H484-F499 AromaticContact CD2-CD2 3.85Å; H484-F499 PolarHBondContact CE1-N 3.45Å; H484-F499 AromaticContact CG-CD2 3.78Å; F499-N501 PolarHBondContact O-N 3.44Å; F499-N501 VanDerWaalsContact O-N 3.1Å; F499-S502 WeakPolarHBondContact O-CB 3.26Å; F499-S502 PolarHBondContact O-N 3.17Å; F499-G505 WeakPolarHBondContact CZ-O 3.11Å; F499-A509 HydrophobicContact CE1-CB 4.35Å; F499-A509 HydrophobicContact CZ-CB 4.37Å; F499-V663 HydrophobicContact CD1-CG1 4.25Å; F499-V663 HydrophobicContact CD1-CG2 4.4Å; F499-V663 HydrophobicContact CE1-CG2 4.23Å; F499-V666 HydrophobicContact CB-CG1 3.9Å; F499-V666 HydrophobicContact CD1-CB 3.96Å; F499-V666 HydrophobicContact CD1-CG1 3.74Å; F499-V666 HydrophobicContact CD2-CB 4.43Å; F499-V666 HydrophobicContact CD2-CG1 3.34Å; F499-V666 HydrophobicContact CE1-CB 4.26Å; F499-V666 HydrophobicContact CE1-CG1 4.08Å; F499-V666 HydrophobicContact CE1-CG2 4.5Å; F499-V666 HydrophobicContact CE2-CG1 3.69Å; F499-V666 HydrophobicContact CG-CB 4.06Å; F499-V666 HydrophobicContact CG-CG1 3.37Å; F499-V666 HydrophobicContact CZ-CG1 4.05Å
500E92.7Very high82.7Confident67 Ų6754.4 Ų54.431%0.31328%0.279SS..THydrogen-bonded Turntrans-61.6-15.3176.766.3-179.3-167.400114.8H498 L506 L631 V663H498-E500 HydrophobicContact CB-CG 3.96Å; H498-E500 PolarHBondContact O-N 3.3Å; E500-L506 WeakPolarHBondContact O-CD1 2.9Å; E500-L631 HydrophobicContact CB-CD2 4.22Å; E500-V663 HydrophobicContact CB-CG1 3.91Å
501N91Very high83.8Confident27 Ų2749.4 Ų49.414%0.14425%0.253CS..THydrogen-bonded Turntrans-97.7-25176.4-64.4-40.6000110.8E496 H498 F499 S503 P627 R630E496-N501 HydrophobicContact CB-CB 3.99Å; E496-N501 HydrophobicContact CG-CB 4.03Å; E496-N501 WeakPolarHBondContact OE2-CA 3.29Å; E496-N501 WeakPolarHBondContact OE2-CB 3.49Å; H498-N501 PolarHBondContact O-N 3.43Å; F499-N501 PolarHBondContact O-N 3.44Å; F499-N501 VanDerWaalsContact O-N 3.1Å; N501-S503 PolarHBondContact O-N 2.86Å; N501-S503 VanDerWaalsContact O-N 3.12Å; N501-P627 HydrophobicContact CB-CB 4.01Å; N501-P627 PolarHBondContact OD1-O 2.99Å; N501-R630 WeakPolarHBondContact O-CD 3.33Å; N501-R630 PolarHBondContact O-NH1 3.16Å
502S92Very high85Confident10 Ų1048 Ų487%0.0724%0.241CC..  trans-60.1115-175.8-176.40000112.9E496 F499 G505 L506E496-S502 PolarHBondContact OE2-N 3.26Å; F499-S502 WeakPolarHBondContact O-CB 3.26Å; F499-S502 PolarHBondContact O-N 3.17Å; S502-G505 PolarHBondContact O-N 2.85Å; S502-G505 PolarHBondContact OG-N 3.05Å; S502-G505 VanDerWaalsContact OG-N 3.14Å; S502-L506 VanDerWaalsContact O-CB 3.3Å; S502-L506 WeakPolarHBondContact O-CB 3.25Å; S502-L506 WeakPolarHBondContact O-CG 3.34Å; S502-L506 PolarHBondContact O-N 3.19Å
503S92.9Very high86.6Confident14 Ų1441.2 Ų41.210%0.09821%0.205CC..Hα-helixtrans-57.8-52.7178.752.60000112N501 A507 L622 D623N501-S503 PolarHBondContact O-N 2.86Å; N501-S503 VanDerWaalsContact O-N 3.12Å; S503-A507 WeakPolarHBondContact O-CB 3.25Å; S503-A507 PolarHBondContact O-N 3.43Å; S503-L622 WeakPolarHBondContact O-CD1 3.43Å; S503-D623 PolarHBondContact OG-OD1 3.12Å
504I93.2Very high88.4Confident7 Ų731.2 Ų31.24%0.03616%0.158CC..Hα-helixtrans-69.1-40.1178-17760.2000112.5W483 A507 I508 N566 N569 V615 S619W483-I504 HydrophobicContact CH2-CG2 3.64Å; W483-I504 HydrophobicContact CZ2-CG2 3.83Å; I504-A507 PolarHBondContact O-N 2.89Å; I504-I508 HydrophobicContact CD1-CD1 4.22Å; I504-I508 HydrophobicContact CD1-CG1 4.22Å; I504-I508 HydrophobicContact CG1-CD1 4.03Å; I504-I508 HydrophobicContact CG1-CG1 4.47Å; I504-I508 VanDerWaalsContact O-CG1 3.29Å; I504-I508 WeakPolarHBondContact O-CG1 3.47Å; I504-I508 PolarHBondContact O-N 3.2Å; I504-N566 HydrophobicContact CD1-CB 4.24Å; I504-N569 HydrophobicContact CG1-CB 4.27Å; I504-V615 HydrophobicContact CD1-CG1 3.73Å; I504-S619 VanDerWaalsContact CA-OG 3.25Å; I504-S619 WeakPolarHBondContact CA-OG 3.38Å; I504-S619 WeakPolarHBondContact CB-OG 3.27Å; I504-S619 PolarHBondContact N-OG 2.97Å
505G95Very high90.1Very high0 Ų027.5 Ų27.50%012%0.12CC..Hα-helixtrans-61.4-46.8178.500000112.3F499 S502 I508 A509F499-G505 WeakPolarHBondContact CZ-O 3.11Å; S502-G505 PolarHBondContact O-N 2.85Å; S502-G505 PolarHBondContact OG-N 3.05Å; S502-G505 VanDerWaalsContact OG-N 3.14Å; G505-I508 PolarHBondContact O-N 2.94Å; G505-A509 WeakPolarHBondContact O-CB 3.43Å; G505-A509 PolarHBondContact O-N 2.71Å
506L96.9Very high91.5Very high0 Ų023 Ų230%010%0.104CC..Hα-helixtrans-63.6-41.3174.5-71.1176.6000112.1E500 S502 A509 T510 L622 R630 L631 I634 F659 V663E500-L506 WeakPolarHBondContact O-CD1 2.9Å; S502-L506 VanDerWaalsContact O-CB 3.3Å; S502-L506 WeakPolarHBondContact O-CB 3.25Å; S502-L506 WeakPolarHBondContact O-CG 3.34Å; S502-L506 PolarHBondContact O-N 3.19Å; L506-A509 PolarHBondContact O-N 3.37Å; L506-T510 VanDerWaalsContact O-CB 3.25Å; L506-T510 WeakPolarHBondContact O-CB 3.34Å; L506-T510 PolarHBondContact O-N 3.25Å; L506-T510 PolarHBondContact O-OG1 2.89Å; L506-L622 HydrophobicContact CB-CD1 4.06Å; L506-R630 HydrophobicContact CD1-CB 3.54Å; L506-L631 HydrophobicContact CD2-CD1 4.2Å; L506-I634 HydrophobicContact CB-CG1 4.49Å; L506-F659 HydrophobicContact CD2-CZ 3.84Å; L506-V663 HydrophobicContact CD2-CG2 4.1Å
507A96.4Very high92.5Very high0 Ų022.9 Ų22.90%010%0.103CC..Hα-helixtrans-62-44.4178.800000111.8S503 I504 T510 C511 V615 L618 L622S503-A507 WeakPolarHBondContact O-CB 3.25Å; S503-A507 PolarHBondContact O-N 3.43Å; I504-A507 PolarHBondContact O-N 2.89Å; A507-T510 PolarHBondContact O-N 2.84Å; A507-C511 WeakPolarHBondContact O-CB 3.25Å; A507-C511 PolarHBondContact O-N 3.48Å; A507-C511 PolarHBondContact O-SG 3.03Å; A507-V615 HydrophobicContact CB-CG1 3.91Å; A507-L618 HydrophobicContact CB-CB 4.13Å; A507-L618 HydrophobicContact CB-CD2 4.1Å; A507-L618 HydrophobicContact CB-CG 4Å; A507-L622 HydrophobicContact CB-CD1 4.35Å
508I96.4Very high93Very high2 Ų213.9 Ų13.91%0.017%0.069CC..Hα-helixtrans-59.9-53.1174.7-66168.4000110.5L480 I504 G505 T510 C511 A512 L570 V573 F609 V615L480-I508 HydrophobicContact CD2-CB 4.47Å; L480-I508 HydrophobicContact CD2-CG2 3.8Å; I504-I508 HydrophobicContact CD1-CD1 4.22Å; I504-I508 HydrophobicContact CD1-CG1 4.22Å; I504-I508 HydrophobicContact CG1-CD1 4.03Å; I504-I508 HydrophobicContact CG1-CG1 4.47Å; I504-I508 VanDerWaalsContact O-CG1 3.29Å; I504-I508 WeakPolarHBondContact O-CG1 3.47Å; I504-I508 PolarHBondContact O-N 3.2Å; G505-I508 PolarHBondContact O-N 2.94Å; I508-T510 VanDerWaalsContact C-N 3.29Å; I508-T510 PolarHBondContact O-N 3.39Å; I508-C511 PolarHBondContact O-N 3.06Å; I508-A512 WeakPolarHBondContact O-CB 3.16Å; I508-A512 PolarHBondContact O-N 3.43Å; I508-L570 HydrophobicContact CD1-CD2 3.79Å; I508-L570 HydrophobicContact CG1-CD2 3.6Å; I508-V573 HydrophobicContact CD1-CG2 4.05Å; I508-F609 HydrophobicContact CG2-CD1 4.47Å; I508-F609 HydrophobicContact CG2-CE1 4.03Å; I508-V615 HydrophobicContact CG1-CG1 3.67Å
509A97Very high92.6Very high0 Ų012.4 Ų12.40%06%0.064CC..Hα-helixtrans-60.3-40.3-178.100000111.9L480 F499 G505 L506 V513 F659 L662L480-A509 HydrophobicContact CD1-CB 4.19Å; F499-A509 HydrophobicContact CE1-CB 4.35Å; F499-A509 HydrophobicContact CZ-CB 4.37Å; G505-A509 WeakPolarHBondContact O-CB 3.43Å; G505-A509 PolarHBondContact O-N 2.71Å; L506-A509 PolarHBondContact O-N 3.37Å; A509-V513 WeakPolarHBondContact O-CB 3.19Å; A509-V513 VanDerWaalsContact O-CG2 3.24Å; A509-V513 WeakPolarHBondContact O-CG2 3.23Å; A509-V513 PolarHBondContact O-N 3.19Å; A509-F659 HydrophobicContact CB-CD2 4.35Å; A509-F659 HydrophobicContact CB-CE2 3.74Å; A509-L662 HydrophobicContact CB-CD2 3.9Å
510T96.3Very high91.6Very high0 Ų018.1 Ų18.10%09%0.094CC..Hα-helixtrans-65-50.8179.3-57.40000110.8L506 A507 I508 A512 V513 V514 L618 I634 I639 L642 F659L506-T510 VanDerWaalsContact O-CB 3.25Å; L506-T510 WeakPolarHBondContact O-CB 3.34Å; L506-T510 PolarHBondContact O-N 3.25Å; L506-T510 PolarHBondContact O-OG1 2.89Å; A507-T510 PolarHBondContact O-N 2.84Å; I508-T510 VanDerWaalsContact C-N 3.29Å; I508-T510 PolarHBondContact O-N 3.39Å; T510-A512 VanDerWaalsContact C-N 3.31Å; T510-A512 PolarHBondContact O-N 3.5Å; T510-V513 PolarHBondContact O-N 3.21Å; T510-V514 HydrophobicContact CG2-CG2 4.26Å; T510-V514 WeakPolarHBondContact O-CB 3.22Å; T510-V514 VanDerWaalsContact O-CG2 3.29Å; T510-V514 WeakPolarHBondContact O-CG2 3.38Å; T510-V514 PolarHBondContact O-N 3.02Å; T510-L618 HydrophobicContact CG2-CD2 4.22Å; T510-I634 HydrophobicContact CG2-CD1 4.17Å; T510-I634 HydrophobicContact CG2-CG2 4.1Å; T510-I634 WeakPolarHBondContact OG1-CG2 3.47Å; T510-I639 HydrophobicContact CG2-CG1 3.93Å; T510-L642 HydrophobicContact CG2-CD1 3.83Å; T510-F659 WeakPolarHBondContact OG1-CE2 3.39Å
511C95.1Very high89.9Confident3 Ų318.6 Ų18.62%0.0210%0.096CC..Hα-helixtrans-62.6-39.9-179.7-65.40000111.5A507 I508 N515 V615A507-C511 WeakPolarHBondContact O-CB 3.25Å; A507-C511 PolarHBondContact O-N 3.48Å; A507-C511 PolarHBondContact O-SG 3.03Å; I508-C511 PolarHBondContact O-N 3.06Å; C511-N515 WeakPolarHBondContact O-CB 3.33Å; C511-N515 PolarHBondContact O-N 2.96Å; C511-V615 HydrophobicContact CB-CG2 3.78Å
512A95Very high88.4Confident0 Ų019.8 Ų19.80%010%0.101CC..Hα-helixtrans-61.7-55.1176.200000111.8L476 I508 T510 N515 V516 L608L476-A512 HydrophobicContact CD2-CB 3.96Å; I508-A512 WeakPolarHBondContact O-CB 3.16Å; I508-A512 PolarHBondContact O-N 3.43Å; T510-A512 VanDerWaalsContact C-N 3.31Å; T510-A512 PolarHBondContact O-N 3.5Å; A512-N515 PolarHBondContact O-N 2.8Å; A512-V516 VanDerWaalsContact O-CG2 3.26Å; A512-V516 WeakPolarHBondContact O-CG2 3.33Å; A512-V516 PolarHBondContact O-N 3.49Å; A512-V516 VanDerWaalsContact O-N 3.13Å; A512-L608 VanDerWaalsContact CA-O 3.29Å; A512-L608 WeakPolarHBondContact CA-O 3.13Å; A512-L608 HydrophobicContact CB-CD2 4.2Å; A512-L608 VanDerWaalsContact CB-O 3.26Å; A512-L608 WeakPolarHBondContact CB-O 3.5Å
513V94.4Very high87.2Confident0 Ų020.8 Ų20.80%011%0.108CC..Hα-helixtrans-61.3-49.8-177.8173.60000110.6W472 A509 T510 N515 V516 F517 I658 F659 L662W472-V513 HydrophobicContact CH2-CG2 4.09Å; A509-V513 WeakPolarHBondContact O-CB 3.19Å; A509-V513 VanDerWaalsContact O-CG2 3.24Å; A509-V513 WeakPolarHBondContact O-CG2 3.23Å; A509-V513 PolarHBondContact O-N 3.19Å; T510-V513 PolarHBondContact O-N 3.21Å; V513-N515 VanDerWaalsContact C-N 3.33Å; V513-N515 PolarHBondContact O-N 3.35Å; V513-V516 PolarHBondContact O-N 3.47Å; V513-F517 HydrophobicContact CG1-CD2 4.37Å; V513-F517 HydrophobicContact CG1-CE2 4.09Å; V513-F517 WeakPolarHBondContact O-CD2 3.33Å; V513-I658 HydrophobicContact CG1-CG2 4.2Å; V513-F659 HydrophobicContact CG1-CB 4.23Å; V513-F659 HydrophobicContact CG2-CB 4.4Å; V513-F659 HydrophobicContact CG2-CD2 4.24Å; V513-L662 HydrophobicContact CG2-CD2 3.82Å
514V92.5Very high86.2Confident1 Ų124 Ų241%0.00613%0.131CC..Hα-helixtrans-62.5-41.7-178171.20000111.1T510 V516 F517 N518 I639 L642T510-V514 HydrophobicContact CG2-CG2 4.26Å; T510-V514 WeakPolarHBondContact O-CB 3.22Å; T510-V514 VanDerWaalsContact O-CG2 3.29Å; T510-V514 WeakPolarHBondContact O-CG2 3.38Å; T510-V514 PolarHBondContact O-N 3.02Å; V514-V516 PolarHBondContact O-N 3.3Å; V514-F517 PolarHBondContact O-N 2.87Å; V514-N518 VanDerWaalsContact CG1-ND2 3.27Å; V514-N518 WeakPolarHBondContact CG1-ND2 3.31Å; V514-N518 WeakPolarHBondContact O-CB 3.21Å; V514-N518 PolarHBondContact O-N 2.76Å; V514-I639 HydrophobicContact CG2-CB 4.49Å; V514-I639 HydrophobicContact CG2-CG1 4.18Å; V514-I639 HydrophobicContact CG2-CG2 4.29Å; V514-L642 HydrophobicContact CG1-CB 3.78Å; V514-L642 HydrophobicContact CG2-CB 4.39Å
515N92.3Very high85.8Confident0 Ų028.4 Ų28.40%015%0.154CC..Hα-helixtrans-67.9-36.5-178-167.358.6000113.4C511 A512 V513 F517 N518 I519 Y530 W606 I607 P610C511-N515 WeakPolarHBondContact O-CB 3.33Å; C511-N515 PolarHBondContact O-N 2.96Å; A512-N515 PolarHBondContact O-N 2.8Å; V513-N515 VanDerWaalsContact C-N 3.33Å; V513-N515 PolarHBondContact O-N 3.35Å; N515-F517 PolarHBondContact O-N 2.76Å; N515-F517 VanDerWaalsContact O-N 3.14Å; N515-N518 PolarHBondContact O-N 3.49Å; N515-I519 PolarHBondContact O-N 3.28Å; N515-I519 VanDerWaalsContact O-N 3.08Å; N515-Y530 WeakPolarHBondContact CA-OH 3.48Å; N515-Y530 WeakPolarHBondContact CB-OH 3.22Å; N515-Y530 VanDerWaalsContact OD1-CE2 3.25Å; N515-Y530 WeakPolarHBondContact OD1-CE2 3.44Å; N515-Y530 PolarHBondContact OD1-OH 3.43Å; N515-W606 PolarHBondContact ND2-O 3.37Å; N515-I607 WeakPolarHBondContact CB-O 3.36Å; N515-I607 WeakPolarHBondContact ND2-CA 3.35Å; N515-I607 PolarHBondContact ND2-O 3.21Å; N515-P610 HydrophobicContact CB-CB 4.4Å; N515-P610 HydrophobicContact CB-CG 3.83Å
516V91.1Very high85.4Confident21 Ų2128.7 Ų28.713%0.12716%0.155CC..Hα-helixtrans-53.9-32.9174169.80000112W472 A512 V513 V514 I519 L603 I607 L608W472-V516 HydrophobicContact CH2-CG2 4.31Å; W472-V516 HydrophobicContact CZ2-CB 4.12Å; W472-V516 HydrophobicContact CZ2-CG1 3.73Å; W472-V516 HydrophobicContact CZ2-CG2 4.03Å; A512-V516 VanDerWaalsContact O-CG2 3.26Å; A512-V516 WeakPolarHBondContact O-CG2 3.33Å; A512-V516 PolarHBondContact O-N 3.49Å; A512-V516 VanDerWaalsContact O-N 3.13Å; V513-V516 PolarHBondContact O-N 3.47Å; V514-V516 PolarHBondContact O-N 3.3Å; V516-I519 WeakPolarHBondContact O-CG2 3.46Å; V516-L603 HydrophobicContact CG1-CD1 4.35Å; V516-L603 HydrophobicContact CG2-CD1 3.68Å; V516-I607 HydrophobicContact CB-CG2 4.33Å; V516-I607 HydrophobicContact CG2-CG2 3.61Å; V516-L608 HydrophobicContact CG2-CD2 4.09Å
517F86.3Confident84.8Confident54 Ų5431.8 Ų31.824%0.23717%0.17CC..Hα-helixtrans-101-22.6-179.5-61.4-74.9000114.7W472 V513 V514 N515 I519 R647 F655 I658W472-F517 HydrophobicContact CZ2-CE2 4.45Å; V513-F517 HydrophobicContact CG1-CD2 4.37Å; V513-F517 HydrophobicContact CG1-CE2 4.09Å; V513-F517 WeakPolarHBondContact O-CD2 3.33Å; V514-F517 PolarHBondContact O-N 2.87Å; N515-F517 PolarHBondContact O-N 2.76Å; N515-F517 VanDerWaalsContact O-N 3.14Å; F517-I519 PolarHBondContact O-N 3.32Å; F517-R647 PolarHBondContact O-NH1 2.92Å; F517-R647 PolarHBondContact O-NH2 3.4Å; F517-F655 HydrophobicContact CB-CD1 4.14Å; F517-F655 HydrophobicContact CB-CE1 3.35Å; F517-F655 HydrophobicContact CB-CE2 3.76Å; F517-F655 HydrophobicContact CB-CZ 3.1Å; F517-F655 HydrophobicContact CD1-CD1 4.12Å; F517-F655 AromaticContact CD1-CE1 3.48Å; F517-F655 HydrophobicContact CD1-CE1 3.48Å; F517-F655 VanDerWaalsContact CD1-CE1 3.48Å; F517-F655 HydrophobicContact CD1-CZ 4.14Å; F517-F655 AromaticContact CD2-CD1 3.54Å; F517-F655 HydrophobicContact CD2-CD1 3.54Å; F517-F655 AromaticContact CD2-CE1 3.58Å; F517-F655 HydrophobicContact CD2-CE1 3.58Å; F517-F655 HydrophobicContact CD2-CG 4.08Å; F517-F655 HydrophobicContact CD2-CZ 4.12Å; F517-F655 HydrophobicContact CE1-CD1 4.46Å; F517-F655 HydrophobicContact CE1-CE1 4.16Å; F517-F655 AromaticContact CE2-CD1 3.96Å; F517-F655 HydrophobicContact CE2-CD1 3.96Å; F517-F655 HydrophobicContact CE2-CE1 4.28Å; F517-F655 AromaticContact CG-CD1 3.67Å; F517-F655 HydrophobicContact CG-CD1 3.67Å; F517-F655 AromaticContact CG-CE1 3.17Å; F517-F655 HydrophobicContact CG-CE1 3.17Å; F517-F655 HydrophobicContact CG-CE2 4.34Å; F517-F655 HydrophobicContact CG-CG 4.45Å; F517-F655 AromaticContact CG-CZ 3.55Å; F517-F655 HydrophobicContact CG-CZ 3.55Å; F517-F655 HydrophobicContact CZ-CD1 4.41Å; F517-I658 HydrophobicContact CE1-CD1 4.36Å; F517-I658 HydrophobicContact CE2-CD1 3.97Å; F517-I658 HydrophobicContact CZ-CD1 3.43Å; F517-I658 VanDerWaalsContact CZ-CD1 3.43Å
518N87.6Confident84.4Confident4 Ų436.3 Ų36.32%0.02119%0.191CC..Hα-helixtrans-69.9-20.5171.1-87.5-15.8000112.7V514 N515 D520 L526 Y530 L642 C643 C644V514-N518 VanDerWaalsContact CG1-ND2 3.27Å; V514-N518 WeakPolarHBondContact CG1-ND2 3.31Å; V514-N518 WeakPolarHBondContact O-CB 3.21Å; V514-N518 PolarHBondContact O-N 2.76Å; N515-N518 PolarHBondContact O-N 3.49Å; N518-D520 PolarHBondContact O-N 2.95Å; N518-L526 HydrophobicContact CB-CD1 3.77Å; N518-Y530 PolarHBondContact ND2-OH 2.67Å; N518-Y530 VanDerWaalsContact ND2-OH 3.09Å; N518-L642 PolarHBondContact ND2-O 3.42Å; N518-C643 VanDerWaalsContact OD1-CA 3.28Å; N518-C643 WeakPolarHBondContact OD1-CA 3.39Å; N518-C644 PolarHBondContact OD1-N 3.46Å
519I78.3Confident84.1Confident50 Ų5037.2 Ų37.226%0.25620%0.195SC..  trans-60.7104.5-178.5-160.2167.1000110.6N515 V516 F517 W606 I607N515-I519 PolarHBondContact O-N 3.28Å; N515-I519 VanDerWaalsContact O-N 3.08Å; V516-I519 WeakPolarHBondContact O-CG2 3.46Å; F517-I519 PolarHBondContact O-N 3.32Å; I519-W606 HydrophobicContact CD1-CE3 4.36Å; I519-W606 HydrophobicContact CD1-CH2 3.46Å; I519-W606 VanDerWaalsContact CD1-CH2 3.46Å; I519-W606 HydrophobicContact CD1-CZ3 3.3Å; I519-W606 HydrophobicContact CG1-CZ3 4.26Å; I519-I607 HydrophobicContact CD1-CD1 3.78Å; I519-I607 HydrophobicContact CD1-CG1 3.79Å
520D71.5Confident83.8Confident120 Ų12037.6 Ų37.664%0.64220%0.197SC*.  trans-108.6114.5152.2-1655.8000104.1N518 M522 S523N518-D520 PolarHBondContact O-N 2.95Å; D520-M522 PolarHBondContact O-N 2.96Å; D520-S523 PolarHBondContact O-N 3.47Å
521F56.7Low83.4Confident77 Ų7740.4 Ų40.434%0.33821%0.214SC..THydrogen-bonded Turntrans-53.8124.4-159.2-159.2-89.9000110.9F116 S523 W606F116-F521 HydrophobicContact CB-CZ 4.05Å; F116-F521 HydrophobicContact CD1-CD1 4.45Å; F116-F521 AromaticContact CD1-CE1 3.42Å; F116-F521 HydrophobicContact CD1-CE1 3.42Å; F116-F521 VanDerWaalsContact CD1-CE1 3.42Å; F116-F521 AromaticContact CD1-CZ 3.64Å; F116-F521 HydrophobicContact CD1-CZ 3.64Å; F116-F521 HydrophobicContact CD2-CD1 4.28Å; F116-F521 HydrophobicContact CD2-CD2 4.41Å; F116-F521 AromaticContact CD2-CE1 3.54Å; F116-F521 HydrophobicContact CD2-CE1 3.54Å; F116-F521 AromaticContact CD2-CE2 3.64Å; F116-F521 HydrophobicContact CD2-CE2 3.64Å; F116-F521 AromaticContact CD2-CZ 3.16Å; F116-F521 HydrophobicContact CD2-CZ 3.16Å; F116-F521 AromaticContact CE1-CD1 3.82Å; F116-F521 HydrophobicContact CE1-CD1 3.82Å; F116-F521 AromaticContact CE1-CE1 3.18Å; F116-F521 HydrophobicContact CE1-CE1 3.18Å; F116-F521 AromaticContact CE1-CZ 3.85Å; F116-F521 HydrophobicContact CE1-CZ 3.85Å; F116-F521 AromaticContact CE2-CD1 3.6Å; F116-F521 HydrophobicContact CE2-CD1 3.6Å; F116-F521 HydrophobicContact CE2-CD2 4.1Å; F116-F521 AromaticContact CE2-CE1 3.28Å; F116-F521 HydrophobicContact CE2-CE1 3.28Å; F116-F521 AromaticContact CE2-CE2 3.77Å; F116-F521 HydrophobicContact CE2-CE2 3.77Å; F116-F521 HydrophobicContact CE2-CG 4.03Å; F116-F521 AromaticContact CE2-CZ 3.38Å; F116-F521 HydrophobicContact CE2-CZ 3.38Å; F116-F521 AromaticContact CG-CE1 3.6Å; F116-F521 HydrophobicContact CG-CE1 3.6Å; F116-F521 HydrophobicContact CG-CE2 4.2Å; F116-F521 AromaticContact CG-CZ 3.3Å; F116-F521 HydrophobicContact CG-CZ 3.3Å; F116-F521 AromaticContact CZ-CD1 3.34Å; F116-F521 HydrophobicContact CZ-CD1 3.34Å; F116-F521 AromaticContact CZ-CE1 3.1Å; F116-F521 HydrophobicContact CZ-CE1 3.1Å; F116-F521 HydrophobicContact CZ-CE2 4.43Å; F116-F521 HydrophobicContact CZ-CG 4.17Å; F116-F521 AromaticContact CZ-CZ 3.73Å; F116-F521 HydrophobicContact CZ-CZ 3.73Å; F521-S523 PolarHBondContact O-N 3.29Å; F521-W606 HydrophobicContact CD2-CH2 4.01Å; F521-W606 AromaticContact CE2-CH2 3.51Å; F521-W606 HydrophobicContact CE2-CH2 3.51Å; F521-W606 AromaticContact CE2-CZ2 3.86Å; F521-W606 HydrophobicContact CE2-CZ2 3.86Å; F521-W606 HydrophobicContact CZ-CH2 4.18Å; F521-W606 HydrophobicContact CZ-CZ2 4.35Å
522M59.2Low83.3Confident53 Ų5347.2 Ų47.226%0.26124%0.239SC..THydrogen-bonded Turntrans63.130175.5-59.2-69169.300117.6M62 S65 D520 S524M62-M522 HydrophobicContact CB-SD 4.43Å; M62-M522 HydrophobicContact CG-SD 4.05Å; S65-M522 WeakPolarHBondContact CB-SD 3.15Å; S65-M522 WeakPolarHBondContact OG-CE 3.4Å; D520-M522 PolarHBondContact O-N 2.96Å; M522-S524 PolarHBondContact O-N 3.48Å
523S68Low83.2Confident31 Ų3149.2 Ų49.222%0.21725%0.247CC..  trans-77.6122.3169.973.80000112M62 D520 F521 N525 L526M62-S523 WeakPolarHBondContact CE-O 3.2Å; D520-S523 PolarHBondContact O-N 3.47Å; F521-S523 PolarHBondContact O-N 3.29Å; S523-N525 PolarHBondContact O-N 3.21Å; S523-N525 VanDerWaalsContact O-N 3.11Å; S523-L526 PolarHBondContact O-N 2.92Å; S523-L526 VanDerWaalsContact O-N 3.09Å; S523-L526 PolarHBondContact OG-N 2.95Å
524S71.5Confident83Confident82 Ų8249.7 Ų49.757%0.57325%0.25SC*.Hα-helixtrans-53.3-28.4167.952.70000112.3M522 L526 Q527 E528M522-S524 PolarHBondContact O-N 3.48Å; S524-L526 VanDerWaalsContact C-N 3.29Å; S524-L526 PolarHBondContact O-N 3.46Å; S524-Q527 PolarHBondContact O-N 2.77Å; S524-E528 PolarHBondContact O-N 3.39Å
525N83.4Confident82.9Confident99 Ų9953.2 Ų53.253%0.52927%0.268SS..Hα-helixtrans-59.7-35.6178-61.6-12.8000112.8S523 H529S523-N525 PolarHBondContact O-N 3.21Å; S523-N525 VanDerWaalsContact O-N 3.11Å; N525-H529 VanDerWaalsContact O-CB 3.22Å; N525-H529 WeakPolarHBondContact O-CB 3.35Å; N525-H529 PolarHBondContact O-N 2.94Å
526L86.7Confident82.9Confident5 Ų556.8 Ų56.83%0.02628%0.284CS..Hα-helixtrans-69.7-42.3-177.6-177.258.9000112.2L58 N518 S523 S524 H529 Y530 C644L58-L526 HydrophobicContact CD2-CD2 3.95Å; L58-L526 HydrophobicContact CD2-CG 3.95Å; N518-L526 HydrophobicContact CB-CD1 3.77Å; S523-L526 PolarHBondContact O-N 2.92Å; S523-L526 VanDerWaalsContact O-N 3.09Å; S523-L526 PolarHBondContact OG-N 2.95Å; S524-L526 VanDerWaalsContact C-N 3.29Å; S524-L526 PolarHBondContact O-N 3.46Å; L526-H529 WeakPolarHBondContact O-CB 3.35Å; L526-H529 PolarHBondContact O-N 2.83Å; L526-Y530 HydrophobicContact CD1-CD2 4.46Å; L526-Y530 HydrophobicContact CD1-CE1 4.11Å; L526-Y530 HydrophobicContact CD1-CE2 3.84Å; L526-Y530 HydrophobicContact CD2-CE2 4.42Å; L526-Y530 HydrophobicContact CG-CD2 4.43Å; L526-Y530 HydrophobicContact CG-CE2 3.94Å; L526-Y530 PolarHBondContact O-N 3.46Å; L526-Y530 VanDerWaalsContact O-N 3.08Å; L526-C644 HydrophobicContact CD1-CB 3.78Å
527Q85Confident82.9Confident65 Ų6555.8 Ų55.830%0.30428%0.278SS..Hα-helixtrans-63.2-48.5175.6-176.8-167.8-22.100110.6M62 S524 H529 Y530 T531M62-Q527 HydrophobicContact CE-CB 4.03Å; M62-Q527 HydrophobicContact SD-CB 4.01Å; S524-Q527 PolarHBondContact O-N 2.77Å; Q527-H529 VanDerWaalsContact C-N 3.25Å; Q527-H529 PolarHBondContact O-N 3.38Å; Q527-Y530 PolarHBondContact O-N 3.33Å; Q527-T531 PolarHBondContact O-N 3.36Å; Q527-T531 PolarHBondContact O-OG1 2.8Å; Q527-T531 VanDerWaalsContact O-OG1 3.13Å
528E87.2Confident83Confident96 Ų9655.3 Ų55.345%0.44927%0.274SS..Hα-helixtrans-58.9-39.9178.1-168-174.4176.200111.5S524 T531 R532S524-E528 PolarHBondContact O-N 3.39Å; E528-T531 PolarHBondContact O-N 3.46Å; E528-R532 VanDerWaalsContact O-CG 3.31Å; E528-R532 WeakPolarHBondContact O-CG 3.43Å; E528-R532 PolarHBondContact O-N 2.55Å; E528-R532 IonicContact OE1-CZ 3.61Å; E528-R532 IonicContact OE1-NE 3.43Å; E528-R532 IonicContact OE1-NH2 3.45Å; E528-R532 PolarHBondContact OE1-NH2 3.33Å; E528-R532 IonicContact OE2-NH2 3.69Å; E528-R532 PolarHBondContact OE2-NH2 3.42Å
529H90.5Very high83Confident20 Ų2059.8 Ų59.89%0.09330%0.298CS..Hα-helixtrans-59.9-46.8175.5177.579.9000112.6N525 L526 Q527 R532 W533 L642 C643 C644N525-H529 VanDerWaalsContact O-CB 3.22Å; N525-H529 WeakPolarHBondContact O-CB 3.35Å; N525-H529 PolarHBondContact O-N 2.94Å; L526-H529 WeakPolarHBondContact O-CB 3.35Å; L526-H529 PolarHBondContact O-N 2.83Å; Q527-H529 VanDerWaalsContact C-N 3.25Å; Q527-H529 PolarHBondContact O-N 3.38Å; H529-R532 PolarHBondContact O-N 3.24Å; H529-W533 AromaticContact CD2-CD1 3.88Å; H529-W533 AromaticContact CE1-CD1 3.6Å; H529-W533 AromaticContact CE1-NE1 3.05Å; H529-W533 PolarHBondContact CE1-NE1 2.68Å; H529-W533 AromaticContact ND1-NE1 3.73Å; H529-W533 AromaticContact NE2-CD1 3.48Å; H529-W533 AromaticContact NE2-NE1 3.28Å; H529-W533 PolarHBondContact NE2-NE1 3.14Å; H529-W533 VanDerWaalsContact O-CD1 3.24Å; H529-W533 PolarHBondContact O-N 3.27Å; H529-L642 PolarHBondContact NE2-O 3.18Å; H529-C643 PolarHBondContact CE1-O 2.74Å; H529-C643 VanDerWaalsContact CE1-O 3.27Å; H529-C643 PolarHBondContact NE2-O 3.4Å; H529-C644 HydrophobicContact CB-CB 4.37Å; H529-C644 VanDerWaalsContact CB-SG 3.58Å; H529-C644 WeakPolarHBondContact NE2-CA 3.49Å
530Y90.8Very high83.3Confident8 Ų861.3 Ų61.33%0.03130%0.304CS..Hα-helixtrans-67.7-37.2176.4-67.6-27000113L58 N515 N518 L526 Q527 R532 W533 I534 P610 L614L58-Y530 HydrophobicContact CD2-CD2 3.84Å; L58-Y530 HydrophobicContact CD2-CE2 3.8Å; N515-Y530 WeakPolarHBondContact CA-OH 3.48Å; N515-Y530 WeakPolarHBondContact CB-OH 3.22Å; N515-Y530 VanDerWaalsContact OD1-CE2 3.25Å; N515-Y530 WeakPolarHBondContact OD1-CE2 3.44Å; N515-Y530 PolarHBondContact OD1-OH 3.43Å; N518-Y530 PolarHBondContact ND2-OH 2.67Å; N518-Y530 VanDerWaalsContact ND2-OH 3.09Å; L526-Y530 HydrophobicContact CD1-CD2 4.46Å; L526-Y530 HydrophobicContact CD1-CE1 4.11Å; L526-Y530 HydrophobicContact CD1-CE2 3.84Å; L526-Y530 HydrophobicContact CD2-CE2 4.42Å; L526-Y530 HydrophobicContact CG-CD2 4.43Å; L526-Y530 HydrophobicContact CG-CE2 3.94Å; L526-Y530 PolarHBondContact O-N 3.46Å; L526-Y530 VanDerWaalsContact O-N 3.08Å; Q527-Y530 PolarHBondContact O-N 3.33Å; Y530-R532 VanDerWaalsContact C-N 3.34Å; Y530-R532 PolarHBondContact O-N 3.09Å; Y530-W533 PolarHBondContact O-N 3.16Å; Y530-I534 VanDerWaalsContact O-CG1 3.3Å; Y530-I534 WeakPolarHBondContact O-CG1 3.22Å; Y530-I534 PolarHBondContact O-N 2.93Å; Y530-P610 HydrophobicContact CD2-CB 4.49Å; Y530-P610 HydrophobicContact CE2-CB 4.03Å; Y530-P610 HydrophobicContact CE2-CG 4.28Å; Y530-L614 HydrophobicContact CD1-CD2 3.74Å; Y530-L614 HydrophobicContact CD2-CD2 4.43Å; Y530-L614 HydrophobicContact CE1-CD2 4.12Å; Y530-L614 HydrophobicContact CG-CD2 3.93Å
531T89.4Confident83.8Confident60 Ų6055.7 Ų55.737%0.36827%0.274SS..Hα-helixtrans-59.3-44.7173.6-57.90000111.5Q527 E528 W533 I534 D535Q527-T531 PolarHBondContact O-N 3.36Å; Q527-T531 PolarHBondContact O-OG1 2.8Å; Q527-T531 VanDerWaalsContact O-OG1 3.13Å; E528-T531 PolarHBondContact O-N 3.46Å; T531-W533 VanDerWaalsContact C-N 3.31Å; T531-W533 PolarHBondContact O-N 2.71Å; T531-I534 WeakPolarHBondContact O-CB 3.19Å; T531-I534 PolarHBondContact O-N 3Å; T531-D535 PolarHBondContact O-N 3.31Å
532R91.6Very high85Confident145 Ų14554.1 Ų54.155%0.54727%0.273SS..Hα-helixtrans-58.4-41.5176.4-71.1170.7-172.81650.1112.5E528 H529 Y530 D535 F536E528-R532 VanDerWaalsContact O-CG 3.31Å; E528-R532 WeakPolarHBondContact O-CG 3.43Å; E528-R532 PolarHBondContact O-N 2.55Å; E528-R532 IonicContact OE1-CZ 3.61Å; E528-R532 IonicContact OE1-NE 3.43Å; E528-R532 IonicContact OE1-NH2 3.45Å; E528-R532 PolarHBondContact OE1-NH2 3.33Å; E528-R532 IonicContact OE2-NH2 3.69Å; E528-R532 PolarHBondContact OE2-NH2 3.42Å; H529-R532 PolarHBondContact O-N 3.24Å; Y530-R532 VanDerWaalsContact C-N 3.34Å; Y530-R532 PolarHBondContact O-N 3.09Å; R532-D535 PolarHBondContact O-N 2.95Å; R532-F536 WeakPolarHBondContact O-CB 3.21Å; R532-F536 PolarHBondContact O-N 3.37Å
533W92.5Very high86Confident42 Ų4255 Ų5516%0.15928%0.278CS..Hα-helixtrans-70.9-37.8177.5-76.8115.4000113.1H529 Y530 T531 D535 F536 I537 L614 W638 R641 L642H529-W533 AromaticContact CD2-CD1 3.88Å; H529-W533 AromaticContact CE1-CD1 3.6Å; H529-W533 AromaticContact CE1-NE1 3.05Å; H529-W533 PolarHBondContact CE1-NE1 2.68Å; H529-W533 AromaticContact ND1-NE1 3.73Å; H529-W533 AromaticContact NE2-CD1 3.48Å; H529-W533 AromaticContact NE2-NE1 3.28Å; H529-W533 PolarHBondContact NE2-NE1 3.14Å; H529-W533 VanDerWaalsContact O-CD1 3.24Å; H529-W533 PolarHBondContact O-N 3.27Å; Y530-W533 PolarHBondContact O-N 3.16Å; T531-W533 VanDerWaalsContact C-N 3.31Å; T531-W533 PolarHBondContact O-N 2.71Å; W533-D535 VanDerWaalsContact C-N 3.33Å; W533-F536 HydrophobicContact CE3-CB 4.24Å; W533-F536 AromaticContact CE3-CD1 3.74Å; W533-F536 HydrophobicContact CE3-CD1 3.74Å; W533-F536 HydrophobicContact CE3-CE1 4.45Å; W533-F536 HydrophobicContact CE3-CG 4.14Å; W533-F536 AromaticContact CZ3-CD1 3.68Å; W533-F536 HydrophobicContact CZ3-CD1 3.68Å; W533-F536 AromaticContact CZ3-CE1 3.99Å; W533-F536 HydrophobicContact CZ3-CE1 3.99Å; W533-F536 HydrophobicContact CZ3-CG 4.13Å; W533-F536 PolarHBondContact O-N 2.77Å; W533-I537 WeakPolarHBondContact O-CB 3.43Å; W533-I537 WeakPolarHBondContact O-CD1 3.33Å; W533-I537 WeakPolarHBondContact O-CG1 3.5Å; W533-I537 PolarHBondContact O-N 3.4Å; W533-L614 HydrophobicContact CB-CD1 4.29Å; W533-W638 HydrophobicContact CE3-CZ3 4.05Å; W533-W638 HydrophobicContact CZ3-CZ3 4.29Å; W533-R641 VanDerWaalsContact CE2-O 3.28Å; W533-R641 HydrophobicContact CH2-CB 3.63Å; W533-R641 HydrophobicContact CH2-CG 3.79Å; W533-R641 HydrophobicContact CZ2-CB 3.59Å; W533-R641 HydrophobicContact CZ2-CG 4.12Å; W533-R641 VanDerWaalsContact CZ2-O 3.23Å; W533-R641 WeakPolarHBondContact CZ2-O 3.3Å; W533-R641 HydrophobicContact CZ3-CB 4.35Å; W533-R641 PolarHBondContact NE1-O 2.87Å; W533-L642 HydrophobicContact CB-CD2 4.22Å; W533-L642 HydrophobicContact CD2-CD2 4.48Å; W533-L642 HydrophobicContact CG-CD2 3.99Å
534I91Very high86.4Confident11 Ų1155.1 Ų55.16%0.05628%0.282CS..Hα-helixtrans-57-49.9172.2-72.7161.8000109.9Y530 T531 I537 R538 H613 L614Y530-I534 VanDerWaalsContact O-CG1 3.3Å; Y530-I534 WeakPolarHBondContact O-CG1 3.22Å; Y530-I534 PolarHBondContact O-N 2.93Å; T531-I534 WeakPolarHBondContact O-CB 3.19Å; T531-I534 PolarHBondContact O-N 3Å; I534-I537 PolarHBondContact O-N 2.82Å; I534-R538 WeakPolarHBondContact O-CB 3.49Å; I534-R538 VanDerWaalsContact O-CG 3.31Å; I534-R538 WeakPolarHBondContact O-CG 3.03Å; I534-R538 PolarHBondContact O-N 3.48Å; I534-H613 HydrophobicContact CD1-CB 3.86Å; I534-H613 HydrophobicContact CG1-CB 4.41Å; I534-L614 HydrophobicContact CD1-CB 4.13Å; I534-L614 HydrophobicContact CG1-CB 4.03Å; I534-L614 HydrophobicContact CG1-CD1 4.07Å
535D90.5Very high86.5Confident75 Ų7552.2 Ų52.240%0.40126%0.261SS..Hα-helixtrans-65.3-41.3-179.7-67.4-23.5000111.7T531 R532 W533 R538 N539T531-D535 PolarHBondContact O-N 3.31Å; R532-D535 PolarHBondContact O-N 2.95Å; W533-D535 VanDerWaalsContact C-N 3.33Å; D535-R538 PolarHBondContact O-N 2.78Å; D535-N539 WeakPolarHBondContact O-CB 3.34Å; D535-N539 PolarHBondContact O-N 2.72Å; D535-N539 PolarHBondContact O-ND2 3.05Å
536F92.8Very high86.2Confident74 Ų7453.4 Ų53.433%0.32526%0.264SS..Hα-helixtrans-59-51.6174.7175.6-94.9000112.1R532 W533 R538 N539 E540 W638R532-F536 WeakPolarHBondContact O-CB 3.21Å; R532-F536 PolarHBondContact O-N 3.37Å; W533-F536 HydrophobicContact CE3-CB 4.24Å; W533-F536 AromaticContact CE3-CD1 3.74Å; W533-F536 HydrophobicContact CE3-CD1 3.74Å; W533-F536 HydrophobicContact CE3-CE1 4.45Å; W533-F536 HydrophobicContact CE3-CG 4.14Å; W533-F536 AromaticContact CZ3-CD1 3.68Å; W533-F536 HydrophobicContact CZ3-CD1 3.68Å; W533-F536 AromaticContact CZ3-CE1 3.99Å; W533-F536 HydrophobicContact CZ3-CE1 3.99Å; W533-F536 HydrophobicContact CZ3-CG 4.13Å; W533-F536 PolarHBondContact O-N 2.77Å; F536-R538 VanDerWaalsContact C-N 3.3Å; F536-R538 PolarHBondContact O-N 2.93Å; F536-N539 PolarHBondContact O-N 3.24Å; F536-E540 HydrophobicContact CD1-CG 4.37Å; F536-E540 HydrophobicContact CE1-CG 3.85Å; F536-E540 HydrophobicContact CE2-CG 4.06Å; F536-E540 HydrophobicContact CZ-CG 3.67Å; F536-E540 PolarHBondContact O-N 3.01Å; F536-W638 HydrophobicContact CD1-CH2 4.38Å; F536-W638 HydrophobicContact CE1-CH2 4.22Å
537I91.2Very high85.5Confident0 Ų060.6 Ų60.60%029%0.29CS..Hα-helixtrans-62.7-39.8-178.8-66.4162.5000110.8W533 I534 E540 T541 C617 L618 H621 W638W533-I537 WeakPolarHBondContact O-CB 3.43Å; W533-I537 WeakPolarHBondContact O-CD1 3.33Å; W533-I537 WeakPolarHBondContact O-CG1 3.5Å; W533-I537 PolarHBondContact O-N 3.4Å; I534-I537 PolarHBondContact O-N 2.82Å; I537-E540 PolarHBondContact O-N 3.03Å; I537-T541 WeakPolarHBondContact O-CB 3.4Å; I537-T541 PolarHBondContact O-N 3.36Å; I537-T541 PolarHBondContact O-OG1 3.29Å; I537-C617 HydrophobicContact CB-CB 4.06Å; I537-C617 HydrophobicContact CD1-CB 4.28Å; I537-C617 HydrophobicContact CG2-CB 3.75Å; I537-C617 VanDerWaalsContact CG2-O 3.31Å; I537-C617 WeakPolarHBondContact CG2-O 3.19Å; I537-L618 HydrophobicContact CD1-CB 4.48Å; I537-H621 HydrophobicContact CG2-CB 3.9Å; I537-W638 HydrophobicContact CD1-CH2 3.93Å; I537-W638 HydrophobicContact CD1-CZ3 3.91Å; I537-W638 HydrophobicContact CG1-CH2 3.46Å; I537-W638 VanDerWaalsContact CG1-CH2 3.46Å; I537-W638 HydrophobicContact CG1-CZ2 4.31Å; I537-W638 HydrophobicContact CG1-CZ3 3.87Å
538R87.2Confident84.7Confident44 Ų4457.7 Ų57.717%0.16628%0.278CS..Hα-helixtrans-60.1-48.4175.8-80.5170.7170.5173.5-3.9111.8I534 D535 F536 T541 S542 C558 T559 K560 H613I534-R538 WeakPolarHBondContact O-CB 3.49Å; I534-R538 VanDerWaalsContact O-CG 3.31Å; I534-R538 WeakPolarHBondContact O-CG 3.03Å; I534-R538 PolarHBondContact O-N 3.48Å; D535-R538 PolarHBondContact O-N 2.78Å; F536-R538 VanDerWaalsContact C-N 3.3Å; F536-R538 PolarHBondContact O-N 2.93Å; R538-T541 PolarHBondContact O-N 2.94Å; R538-S542 WeakPolarHBondContact O-CB 3.39Å; R538-S542 PolarHBondContact O-N 3.17Å; R538-S542 PolarHBondContact O-OG 2.85Å; R538-C558 HydrophobicContact CG-CB 4.12Å; R538-C558 VanDerWaalsContact CG-SG 3.57Å; R538-T559 PolarHBondContact NE-O 3.04Å; R538-T559 PolarHBondContact NH2-O 2.91Å; R538-T559 VanDerWaalsContact NH2-O 3.17Å; R538-K560 VanDerWaalsContact NH2-C 3.35Å; R538-K560 PolarHBondContact NH2-O 3.33Å; R538-H613 PolarHBondContact NH2-ND1 3.27Å
539N87.3Confident83.7Confident98 Ų9859 Ų5952%0.52429%0.287SS..Hα-helixtrans-63.8-42.7179.4-69.2-20.6000111.9D535 F536 T541 S542 L543D535-N539 WeakPolarHBondContact O-CB 3.34Å; D535-N539 PolarHBondContact O-N 2.72Å; D535-N539 PolarHBondContact O-ND2 3.05Å; F536-N539 PolarHBondContact O-N 3.24Å; N539-T541 PolarHBondContact O-N 3.07Å; N539-S542 WeakPolarHBondContact CA-OG 3.49Å; N539-S542 PolarHBondContact O-N 3.18Å; N539-S542 PolarHBondContact O-OG 3.31Å; N539-L543 WeakPolarHBondContact O-CB 3.44Å; N539-L543 VanDerWaalsContact O-CG 3.23Å; N539-L543 WeakPolarHBondContact O-CG 3.47Å; N539-L543 PolarHBondContact O-N 2.69Å
540E85.2Confident82.6Confident82 Ų8262.6 Ų62.638%0.38331%0.314SS..Hα-helixtrans-62-43.4175.2-79-64.3124.700111.7F536 I537 L543 A544F536-E540 HydrophobicContact CD1-CG 4.37Å; F536-E540 HydrophobicContact CE1-CG 3.85Å; F536-E540 HydrophobicContact CE2-CG 4.06Å; F536-E540 HydrophobicContact CZ-CG 3.67Å; F536-E540 PolarHBondContact O-N 3.01Å; I537-E540 PolarHBondContact O-N 3.03Å; E540-L543 PolarHBondContact O-N 3.2Å; E540-A544 WeakPolarHBondContact O-CB 3.26Å; E540-A544 PolarHBondContact O-N 2.74Å
541T82.4Confident81.5Confident2 Ų267.6 Ų67.61%0.01234%0.341CS..Hα-helixtrans-68.6-39179.8-51.70000111.5I537 R538 N539 A544 S545 L556 C558I537-T541 WeakPolarHBondContact O-CB 3.4Å; I537-T541 PolarHBondContact O-N 3.36Å; I537-T541 PolarHBondContact O-OG1 3.29Å; R538-T541 PolarHBondContact O-N 2.94Å; N539-T541 PolarHBondContact O-N 3.07Å; T541-A544 PolarHBondContact O-N 3.14Å; T541-S545 WeakPolarHBondContact O-CB 3.4Å; T541-S545 PolarHBondContact O-N 3.24Å; T541-S545 PolarHBondContact O-OG 3.45Å; T541-L556 WeakPolarHBondContact CG2-O 3.36Å; T541-C558 HydrophobicContact CG2-CB 4.19Å
542S81.4Confident80.1Confident44 Ų4472 Ų7231%0.30836%0.363SS..Hα-helixtrans-65.2-45.8175.661.90000111.2R538 N539 A544 S545 E546R538-S542 WeakPolarHBondContact O-CB 3.39Å; R538-S542 PolarHBondContact O-N 3.17Å; R538-S542 PolarHBondContact O-OG 2.85Å; N539-S542 WeakPolarHBondContact CA-OG 3.49Å; N539-S542 PolarHBondContact O-N 3.18Å; N539-S542 PolarHBondContact O-OG 3.31Å; S542-A544 VanDerWaalsContact C-N 3.32Å; S542-A544 PolarHBondContact O-N 3.1Å; S542-S545 WeakPolarHBondContact CA-OG 3.46Å; S542-S545 PolarHBondContact O-N 3Å; S542-S545 VanDerWaalsContact O-N 3.14Å; S542-S545 PolarHBondContact O-OG 2.94Å; S542-E546 WeakPolarHBondContact O-CG 3.32Å; S542-E546 PolarHBondContact O-N 3.15Å
543L79.7Confident78.6Confident71 Ų7170.6 Ų70.637%0.37236%0.362SS..Hα-helixtrans-61.3-40.3176-71.6171.7000112N539 E540 E546 R547N539-L543 WeakPolarHBondContact O-CB 3.44Å; N539-L543 VanDerWaalsContact O-CG 3.23Å; N539-L543 WeakPolarHBondContact O-CG 3.47Å; N539-L543 PolarHBondContact O-N 2.69Å; E540-L543 PolarHBondContact O-N 3.2Å; L543-E546 PolarHBondContact O-N 2.99Å; L543-R547 WeakPolarHBondContact O-CG 3.46Å; L543-R547 PolarHBondContact O-N 3.19Å; L543-R547 VanDerWaalsContact O-N 3.13Å
544A76.7Confident76.7Confident35 Ų3578.5 Ų78.529%0.28940%0.398SS..Hα-helixtrans-62.6-4417400000111.3E540 T541 S542 E546 R547 A548 L555E540-A544 WeakPolarHBondContact O-CB 3.26Å; E540-A544 PolarHBondContact O-N 2.74Å; T541-A544 PolarHBondContact O-N 3.14Å; S542-A544 VanDerWaalsContact C-N 3.32Å; S542-A544 PolarHBondContact O-N 3.1Å; A544-E546 PolarHBondContact O-N 2.94Å; A544-R547 PolarHBondContact O-N 3.5Å; A544-A548 WeakPolarHBondContact O-CB 3.38Å; A544-A548 PolarHBondContact O-N 3.47Å; A544-L555 HydrophobicContact CB-CD1 3.99Å; A544-L555 WeakPolarHBondContact O-CD1 3.37Å
545S74.7Confident75Confident20 Ų2080.8 Ų80.814%0.1441%0.41CS..Hα-helixtrans-63.6-39.6178.374.30000112.9T541 S542 R547 A548 L549T541-S545 WeakPolarHBondContact O-CB 3.4Å; T541-S545 PolarHBondContact O-N 3.24Å; T541-S545 PolarHBondContact O-OG 3.45Å; S542-S545 WeakPolarHBondContact CA-OG 3.46Å; S542-S545 PolarHBondContact O-N 3Å; S542-S545 VanDerWaalsContact O-N 3.14Å; S542-S545 PolarHBondContact O-OG 2.94Å; S545-R547 PolarHBondContact O-N 3.17Å; S545-A548 PolarHBondContact O-N 2.73Å; S545-L549 WeakPolarHBondContact O-CG 3.11Å; S545-L549 PolarHBondContact O-N 3.15Å
546E76.4Confident73.4Confident125 Ų12581.4 Ų81.458%0.58441%0.413SS*.Hα-helixtrans-63.1-42.3174.8-73176.2-178.100111.7S542 L543 A544 S550S542-E546 WeakPolarHBondContact O-CG 3.32Å; S542-E546 PolarHBondContact O-N 3.15Å; L543-E546 PolarHBondContact O-N 2.99Å; A544-E546 PolarHBondContact O-N 2.94Å; E546-S550 PolarHBondContact O-N 2.98Å
547R71.6Confident71.7Confident156 Ų15681 Ų8159%0.58942%0.419SS*.Hα-helixtrans-65-40.1174.3-67.7175-163.3170.18111.6L543 A544 S545 S550 L551L543-R547 WeakPolarHBondContact O-CG 3.46Å; L543-R547 PolarHBondContact O-N 3.19Å; L543-R547 VanDerWaalsContact O-N 3.13Å; A544-R547 PolarHBondContact O-N 3.5Å; S545-R547 PolarHBondContact O-N 3.17Å; R547-S550 WeakPolarHBondContact O-CB 3.43Å; R547-S550 PolarHBondContact O-N 3.38Å; R547-S550 PolarHBondContact O-OG 3.43Å; R547-L551 PolarHBondContact O-N 3.03Å
548A68.6Low70Confident4 Ų482.1 Ų82.13%0.03343%0.426CS..Hα-helixtrans-69.5-36.1179.200000113.3A544 S545 S550 L551 N552 Q553 L555A544-A548 WeakPolarHBondContact O-CB 3.38Å; A544-A548 PolarHBondContact O-N 3.47Å; S545-A548 PolarHBondContact O-N 2.73Å; A548-S550 PolarHBondContact O-N 3.12Å; A548-L551 CarbonylContact O-C 3.3Å; A548-L551 VanDerWaalsContact O-C 3.3Å; A548-L551 WeakPolarHBondContact O-CA 3.49Å; A548-L551 PolarHBondContact O-N 3.25Å; A548-N552 PolarHBondContact O-N 3.09Å; A548-Q553 CarbonylContact C-O 3.51Å; A548-Q553 HydrophobicContact CB-CB 3.94Å; A548-Q553 WeakPolarHBondContact CB-O 3.22Å; A548-Q553 PolarHBondContact O-N 2.75Å; A548-L555 HydrophobicContact CB-CB 4.23Å; A548-L555 HydrophobicContact CB-CD1 3.35Å; A548-L555 HydrophobicContact CB-CG 3.59Å
549L66Low68.7Low122 Ų12282.7 Ų82.764%0.63944%0.435SS*.Hα-helixtrans-59.2-36.3171.7-75.1170.1000111.6S545 L551 N552S545-L549 WeakPolarHBondContact O-CG 3.11Å; S545-L549 PolarHBondContact O-N 3.15Å; L549-L551 PolarHBondContact O-N 3.37Å; L549-N552 PolarHBondContact O-N 2.75Å
550S67.2Low67.6Low96 Ų9686.8 Ų86.867%0.67145%0.448SS*.Hα-helixtrans-66.2-20.5172.880.90000113.7E546 R547 A548E546-S550 PolarHBondContact O-N 2.98Å; R547-S550 WeakPolarHBondContact O-CB 3.43Å; R547-S550 PolarHBondContact O-N 3.38Å; R547-S550 PolarHBondContact O-OG 3.43Å; A548-S550 PolarHBondContact O-N 3.12Å
551L69Low66.8Low114 Ų11485 Ų8560%0.59745%0.445SS*.THydrogen-bonded Turntrans-107.58.6-178.3-69.6166000113.4R547 A548 L549 Q553R547-L551 PolarHBondContact O-N 3.03Å; A548-L551 CarbonylContact O-C 3.3Å; A548-L551 VanDerWaalsContact O-C 3.3Å; A548-L551 WeakPolarHBondContact O-CA 3.49Å; A548-L551 PolarHBondContact O-N 3.25Å; L549-L551 PolarHBondContact O-N 3.37Å; L551-Q553 HydrophobicContact CB-CG 4.48Å; L551-Q553 PolarHBondContact O-N 2.91Å
552N59.8Low66.5Low153 Ų15385.1 Ų85.182%0.81845%0.446SS*.THydrogen-bonded Turntrans53.233.1-172.9-69.1-37.4000114.3A548 L549A548-N552 PolarHBondContact O-N 3.09Å; L549-N552 PolarHBondContact O-N 2.75Å
553Q58.6Low66.5Low115 Ų11584.7 Ų84.754%0.53744%0.441SS..  trans-100.3131.4171.1-68.7-179.85.400109.7A548 L551 L555A548-Q553 CarbonylContact C-O 3.51Å; A548-Q553 HydrophobicContact CB-CB 3.94Å; A548-Q553 WeakPolarHBondContact CB-O 3.22Å; A548-Q553 PolarHBondContact O-N 2.75Å; L551-Q553 HydrophobicContact CB-CG 4.48Å; L551-Q553 PolarHBondContact O-N 2.91Å; Q553-L555 PolarHBondContact O-N 3.12Å
554F53Low66.5Low208 Ų20889.7 Ų89.791%0.91246%0.463SS*.  trans-82.7104.7171.7-79.4-82.6000109.2
555L56Low66.8Low58 Ų5893.5 Ų93.530%0.30448%0.475SS..PPolyproline II helixtrans-98.2145.3165.6-72.8177.5000110A544 A548 Q553 S557 N624A544-L555 HydrophobicContact CB-CD1 3.99Å; A544-L555 WeakPolarHBondContact O-CD1 3.37Å; A548-L555 HydrophobicContact CB-CB 4.23Å; A548-L555 HydrophobicContact CB-CD1 3.35Å; A548-L555 HydrophobicContact CB-CG 3.59Å; Q553-L555 PolarHBondContact O-N 3.12Å; L555-S557 PolarHBondContact O-N 3.12Å; L555-N624 HydrophobicContact CD2-CB 4.36Å; L555-N624 WeakPolarHBondContact CD2-OD1 3.24Å
556L57.6Low67.4Low88 Ų8893.2 Ų93.246%0.46147%0.472SS..PPolyproline II helixtrans-71.7123.4172.2-71.8161000109.1T541 D623T541-L556 WeakPolarHBondContact CG2-O 3.36Å; L556-D623 VanDerWaalsContact CD1-OD2 3.24Å; L556-D623 WeakPolarHBondContact CD1-OD2 3.46Å
557S56.1Low67.9Low67 Ų6788.5 Ų88.547%0.46945%0.45SS..PPolyproline II helixtrans-85.6135174.563.60000110.7L555 T559L555-S557 PolarHBondContact O-N 3.12Å; S557-T559 PolarHBondContact O-N 3.08Å
558C55.1Low68.5Low22 Ų2282.8 Ų82.815%0.14943%0.434CS..PPolyproline II helixtrans-75.9120.6170.6-171.20000109.7R538 T541 C617R538-C558 HydrophobicContact CG-CB 4.12Å; R538-C558 VanDerWaalsContact CG-SG 3.57Å; T541-C558 HydrophobicContact CG2-CB 4.19Å; C558-C617 PolarHBondContact SG-SG 3.12Å
559T59.9Low69.5Low57 Ų5782.9 Ų82.935%0.3543%0.434SS..PPolyproline II helixtrans-90169.9178.970.60000111.7R538 S557 S561R538-T559 PolarHBondContact NE-O 3.04Å; R538-T559 PolarHBondContact NH2-O 2.91Å; R538-T559 VanDerWaalsContact NH2-O 3.17Å; S557-T559 PolarHBondContact O-N 3.08Å; T559-S561 PolarHBondContact O-N 3.44Å; T559-S561 PolarHBondContact OG1-O 3.15Å; T559-S561 PolarHBondContact OG1-OG 2.9Å; T559-S561 VanDerWaalsContact OG1-OG 3.07Å
560K64.1Low70.7Confident183 Ų18377.1 Ų77.180%0.79640%0.404SS*.SBendtrans-65.2-26173.3-72.1-173.8177.5-177.90112.4R538 H613R538-K560 VanDerWaalsContact NH2-C 3.35Å; R538-K560 PolarHBondContact NH2-O 3.33Å; K560-H613 PolarHBondContact O-CE1 3.04Å
561S69.8Low71.7Confident46 Ų4673 Ų7332%0.32237%0.374SS..SBendtrans-93.1152.4174.343.80000111.9T559T559-S561 PolarHBondContact O-N 3.44Å; T559-S561 PolarHBondContact OG1-O 3.15Å; T559-S561 PolarHBondContact OG1-OG 2.9Å; T559-S561 VanDerWaalsContact OG1-OG 3.07Å
562V75.6Confident72.7Confident4 Ų467.6 Ų67.62%0.02435%0.346CS..PPolyproline II helixtrans-62.6136.4164-179.10000108.5N566 L567 F612 D616V562-N566 HydrophobicContact CG1-CB 4.4Å; V562-L567 HydrophobicContact CG1-CB 3.82Å; V562-F612 HydrophobicContact CG2-CB 4.05Å; V562-D616 HydrophobicContact CB-CB 4.46Å; V562-D616 HydrophobicContact CG1-CB 3.94Å; V562-D616 HydrophobicContact CG2-CB 4.37Å
563T81.1Confident74.3Confident35 Ų3560.3 Ų60.322%0.21531%0.307CS..PPolyproline II helixtrans-64.8146.4175.855.60000111.9Q565 N566 L567 D616 H620T563-Q565 PolarHBondContact O-N 3.32Å; T563-N566 PolarHBondContact O-N 3.32Å; T563-N566 VanDerWaalsContact OG1-CB 3.32Å; T563-N566 WeakPolarHBondContact OG1-CB 3.42Å; T563-N566 PolarHBondContact OG1-N 3.18Å; T563-N566 PolarHBondContact OG1-ND2 3.01Å; T563-L567 WeakPolarHBondContact O-CB 3.32Å; T563-L567 PolarHBondContact O-N 2.88Å; T563-D616 PolarHBondContact N-OD1 3Å; T563-D616 VanDerWaalsContact N-OD1 3.14Å; T563-D616 PolarHBondContact OG1-OD1 3.19Å; T563-H620 WeakPolarHBondContact CG2-CE1 3.49Å; T563-H620 VanDerWaalsContact CG2-NE2 3.35Å; T563-H620 WeakPolarHBondContact CG2-NE2 3.24Å
564E80.5Confident75.8Confident176 Ų17655 Ų5582%0.82228%0.282SS*.Hα-helixtrans-57.2-37.9-179.3-66.3-176173.200112.5S568E564-S568 VanDerWaalsContact O-CB 3.26Å; E564-S568 WeakPolarHBondContact O-CB 3.34Å; E564-S568 PolarHBondContact O-N 3.39Å
565Q82.4Confident77.6Confident115 Ų11545.8 Ų45.854%0.53724%0.242SC..Hα-helixtrans-65.7-50.4178.3-175.7172.92.100112.3T563 S568 N569T563-Q565 PolarHBondContact O-N 3.32Å; Q565-S568 WeakPolarHBondContact O-CB 3.21Å; Q565-S568 PolarHBondContact O-N 2.73Å; Q565-N569 PolarHBondContact O-N 3.18Å; Q565-N569 PolarHBondContact O-ND2 3.34Å
566N87.5Confident79.3Confident14 Ų1443 Ų438%0.07523%0.228CC..Hα-helixtrans-68.6-37.4178.2-72.3-19.2000111.8I504 V562 T563 S568 N569 L570 D616 H620I504-N566 HydrophobicContact CD1-CB 4.24Å; V562-N566 HydrophobicContact CG1-CB 4.4Å; T563-N566 PolarHBondContact O-N 3.32Å; T563-N566 VanDerWaalsContact OG1-CB 3.32Å; T563-N566 WeakPolarHBondContact OG1-CB 3.42Å; T563-N566 PolarHBondContact OG1-N 3.18Å; T563-N566 PolarHBondContact OG1-ND2 3.01Å; N566-S568 VanDerWaalsContact C-N 3.29Å; N566-S568 PolarHBondContact O-N 3.42Å; N566-N569 PolarHBondContact O-N 2.98Å; N566-L570 WeakPolarHBondContact O-CB 3.41Å; N566-L570 WeakPolarHBondContact O-CD1 3.15Å; N566-L570 WeakPolarHBondContact O-CG 3.21Å; N566-L570 PolarHBondContact O-N 3.42Å; N566-D616 VanDerWaalsContact CB-OD1 3.23Å; N566-D616 WeakPolarHBondContact CB-OD1 3.48Å; N566-D616 PolarHBondContact ND2-OD1 2.77Å; N566-H620 PolarHBondContact ND2-CE1 3.23Å
567L86.1Confident81.1Confident25 Ų2538.9 Ų38.913%0.13121%0.206CC..Hα-helixtrans-56.6-46.5173.5179.860.7000110.8N55 V562 T563 L570 I571 F612N55-L567 VanDerWaalsContact ND2-CD1 3.27Å; N55-L567 WeakPolarHBondContact ND2-CD1 3.23Å; V562-L567 HydrophobicContact CG1-CB 3.82Å; T563-L567 WeakPolarHBondContact O-CB 3.32Å; T563-L567 PolarHBondContact O-N 2.88Å; L567-L570 PolarHBondContact O-N 3.24Å; L567-I571 HydrophobicContact CD1-CD1 3.84Å; L567-I571 HydrophobicContact CD1-CG1 4.27Å; L567-I571 HydrophobicContact CG-CD1 3.91Å; L567-I571 VanDerWaalsContact O-CG1 3.27Å; L567-I571 WeakPolarHBondContact O-CG1 3.21Å; L567-I571 PolarHBondContact O-N 3.47Å; L567-F612 HydrophobicContact CD1-CD2 3.88Å; L567-F612 HydrophobicContact CD1-CE2 4.07Å
568S85.1Confident82.8Confident36 Ų3637.7 Ų37.725%0.25220%0.195SC..Hα-helixtrans-59.2-48176.5178.10000112V390 E564 Q565 N566 I571 A572V390-S568 VanDerWaalsContact CG1-OG 3.24Å; V390-S568 WeakPolarHBondContact CG1-OG 3.15Å; E564-S568 VanDerWaalsContact O-CB 3.26Å; E564-S568 WeakPolarHBondContact O-CB 3.34Å; E564-S568 PolarHBondContact O-N 3.39Å; Q565-S568 WeakPolarHBondContact O-CB 3.21Å; Q565-S568 PolarHBondContact O-N 2.73Å; N566-S568 VanDerWaalsContact C-N 3.29Å; N566-S568 PolarHBondContact O-N 3.42Å; S568-I571 PolarHBondContact O-N 2.93Å; S568-A572 WeakPolarHBondContact O-CB 3.45Å; S568-A572 PolarHBondContact O-N 2.84Å
569N89.2Confident84.6Confident6 Ų637.1 Ų37.13%0.03219%0.19CC..Hα-helixtrans-61.2-44.9177.5-78.5-33.9000112.7W483 H487 I504 Q565 N566 A572 V573W483-N569 HydrophobicContact CZ2-CB 4.14Å; W483-N569 PolarHBondContact NE1-OD1 2.99Å; H487-N569 PolarHBondContact CD2-OD1 2.89Å; I504-N569 HydrophobicContact CG1-CB 4.27Å; Q565-N569 PolarHBondContact O-N 3.18Å; Q565-N569 PolarHBondContact O-ND2 3.34Å; N566-N569 PolarHBondContact O-N 2.98Å; N569-A572 WeakPolarHBondContact O-CB 3.32Å; N569-A572 PolarHBondContact O-N 2.98Å; N569-V573 WeakPolarHBondContact O-CG2 3.4Å; N569-V573 PolarHBondContact O-N 3.38Å
570L90.8Very high86.3Confident1 Ų134.5 Ų34.51%0.00517%0.173CC..Hα-helixtrans-65.2-44.1-179.7-70.9165.3000112I508 N566 L567 A572 V573 Q574 F612 V615I508-L570 HydrophobicContact CD1-CD2 3.79Å; I508-L570 HydrophobicContact CG1-CD2 3.6Å; N566-L570 WeakPolarHBondContact O-CB 3.41Å; N566-L570 WeakPolarHBondContact O-CD1 3.15Å; N566-L570 WeakPolarHBondContact O-CG 3.21Å; N566-L570 PolarHBondContact O-N 3.42Å; L567-L570 PolarHBondContact O-N 3.24Å; L570-A572 VanDerWaalsContact C-N 3.31Å; L570-A572 PolarHBondContact O-N 3.41Å; L570-V573 PolarHBondContact O-N 2.83Å; L570-Q574 WeakPolarHBondContact O-CG 3.34Å; L570-Q574 PolarHBondContact O-N 3.18Å; L570-F612 HydrophobicContact CB-CD1 4.45Å; L570-F612 HydrophobicContact CB-CD2 3.75Å; L570-F612 HydrophobicContact CB-CE1 4.07Å; L570-F612 HydrophobicContact CB-CE2 3.37Å; L570-F612 HydrophobicContact CB-CG 4.31Å; L570-F612 HydrophobicContact CB-CZ 3.54Å; L570-F612 HydrophobicContact CD1-CB 3.95Å; L570-F612 HydrophobicContact CD1-CD1 4.18Å; L570-F612 HydrophobicContact CD1-CD2 3.61Å; L570-F612 HydrophobicContact CD1-CE2 4.16Å; L570-F612 HydrophobicContact CD1-CG 3.65Å; L570-F612 HydrophobicContact CG-CD2 4.28Å; L570-F612 HydrophobicContact CG-CE2 4.35Å; L570-F612 HydrophobicContact CG-CG 4.48Å; L570-V615 HydrophobicContact CD1-CB 4.36Å; L570-V615 HydrophobicContact CD1-CG1 4.35Å; L570-V615 HydrophobicContact CD2-CB 4.16Å; L570-V615 HydrophobicContact CD2-CG1 3.72Å; L570-V615 HydrophobicContact CD2-CG2 4.42Å
571I88Confident87.8Confident11 Ų1126.9 Ų26.96%0.05614%0.141CC..Hα-helixtrans-64-39.1175.6-63.3166.3000110.6V390 L567 S568 Q574 N575 F612V390-I571 HydrophobicContact CB-CB 4.41Å; V390-I571 HydrophobicContact CB-CG2 4.13Å; V390-I571 HydrophobicContact CG2-CB 4.15Å; V390-I571 HydrophobicContact CG2-CG2 3.47Å; V390-I571 VanDerWaalsContact CG2-CG2 3.47Å; L567-I571 HydrophobicContact CD1-CD1 3.84Å; L567-I571 HydrophobicContact CD1-CG1 4.27Å; L567-I571 HydrophobicContact CG-CD1 3.91Å; L567-I571 VanDerWaalsContact O-CG1 3.27Å; L567-I571 WeakPolarHBondContact O-CG1 3.21Å; L567-I571 PolarHBondContact O-N 3.47Å; S568-I571 PolarHBondContact O-N 2.93Å; I571-Q574 PolarHBondContact O-N 3.27Å; I571-N575 WeakPolarHBondContact O-CB 3.32Å; I571-N575 VanDerWaalsContact O-CG 3.28Å; I571-N575 PolarHBondContact O-N 3.22Å; I571-N575 PolarHBondContact O-ND2 2.91Å; I571-F612 HydrophobicContact CG1-CE2 4.12Å
572A89.4Confident89Confident0 Ų024.9 Ų24.90%013%0.127CC..Hα-helixtrans-60.6-48176.300000111.9Y393 S568 N569 L570 Q574 N575 I576Y393-A572 HydrophobicContact CD1-CB 4.19Å; Y393-A572 HydrophobicContact CD2-CB 3.69Å; Y393-A572 HydrophobicContact CE2-CB 4.27Å; Y393-A572 HydrophobicContact CG-CB 3.66Å; S568-A572 WeakPolarHBondContact O-CB 3.45Å; S568-A572 PolarHBondContact O-N 2.84Å; N569-A572 WeakPolarHBondContact O-CB 3.32Å; N569-A572 PolarHBondContact O-N 2.98Å; L570-A572 VanDerWaalsContact C-N 3.31Å; L570-A572 PolarHBondContact O-N 3.41Å; A572-Q574 PolarHBondContact O-N 3.25Å; A572-N575 PolarHBondContact O-N 3.32Å; A572-I576 VanDerWaalsContact O-CG1 3.28Å; A572-I576 WeakPolarHBondContact O-CG1 3.33Å; A572-I576 PolarHBondContact O-N 2.81Å
573V93.6Very high89.9Confident0 Ų024.7 Ų24.70%013%0.125CC..Hα-helixtrans-59.2-45.9176.9171.30000111.4T479 L480 W483 I508 N569 L570 N575 I576 Y577 F609T479-V573 HydrophobicContact CG2-CG1 3.94Å; T479-V573 WeakPolarHBondContact CG2-O 3.39Å; L480-V573 HydrophobicContact CD2-CG1 4.03Å; L480-V573 HydrophobicContact CD2-CG2 4.44Å; W483-V573 HydrophobicContact CB-CG2 3.73Å; W483-V573 HydrophobicContact CD2-CG2 3.6Å; W483-V573 HydrophobicContact CE3-CG2 4.22Å; W483-V573 HydrophobicContact CG-CG2 3.32Å; I508-V573 HydrophobicContact CD1-CG2 4.05Å; N569-V573 WeakPolarHBondContact O-CG2 3.4Å; N569-V573 PolarHBondContact O-N 3.38Å; L570-V573 PolarHBondContact O-N 2.83Å; V573-N575 PolarHBondContact O-N 3.31Å; V573-I576 PolarHBondContact O-N 2.91Å; V573-Y577 PolarHBondContact O-N 3Å; V573-F609 HydrophobicContact CG1-CE1 3.65Å; V573-F609 HydrophobicContact CG1-CZ 3.77Å
574Q91.3Very high90.6Very high3 Ų323.1 Ų23.11%0.01412%0.116CC..Hα-helixtrans-62.2-43.5177.4-73.1-171-30.400112.7F57 L570 I571 A572 I576 Y577 N578 F609 F612F57-Q574 VanDerWaalsContact CZ-NE2 3.28Å; L570-Q574 WeakPolarHBondContact O-CG 3.34Å; L570-Q574 PolarHBondContact O-N 3.18Å; I571-Q574 PolarHBondContact O-N 3.27Å; A572-Q574 PolarHBondContact O-N 3.25Å; Q574-I576 VanDerWaalsContact C-N 3.35Å; Q574-I576 PolarHBondContact O-N 2.83Å; Q574-Y577 WeakPolarHBondContact O-CB 3.06Å; Q574-Y577 PolarHBondContact O-N 3.45Å; Q574-N578 WeakPolarHBondContact O-CB 3.3Å; Q574-N578 PolarHBondContact O-N 3.25Å; Q574-F609 HydrophobicContact CG-CD1 4.35Å; Q574-F609 HydrophobicContact CG-CD2 3.82Å; Q574-F609 HydrophobicContact CG-CE2 4.01Å; Q574-F609 HydrophobicContact CG-CG 4.01Å; Q574-F609 HydrophobicContact CG-CZ 4.36Å; Q574-F612 VanDerWaalsContact CD-CZ 3.48Å; Q574-F612 HydrophobicContact CG-CZ 4.33Å
575N89.4Confident91.3Very high14 Ų1415.9 Ų15.98%0.0759%0.085CC..Hα-helixtrans-62.6-42.6177-77.9-25.6000111.4H391 I571 A572 V573 Y577 N578 E579H391-N575 PolarHBondContact CE1-ND2 2.84Å; H391-N575 VanDerWaalsContact CE1-ND2 3.33Å; H391-N575 PolarHBondContact CE1-OD1 3.48Å; H391-N575 PolarHBondContact ND1-ND2 2.95Å; I571-N575 WeakPolarHBondContact O-CB 3.32Å; I571-N575 VanDerWaalsContact O-CG 3.28Å; I571-N575 PolarHBondContact O-N 3.22Å; I571-N575 PolarHBondContact O-ND2 2.91Å; A572-N575 PolarHBondContact O-N 3.32Å; V573-N575 PolarHBondContact O-N 3.31Å; N575-Y577 VanDerWaalsContact C-N 3.34Å; N575-Y577 PolarHBondContact O-N 3.07Å; N575-N578 PolarHBondContact O-N 3.17Å; N575-E579 VanDerWaalsContact O-CG 3.25Å; N575-E579 WeakPolarHBondContact O-CG 3.46Å; N575-E579 PolarHBondContact O-N 2.82Å
576I93.6Very high91.9Very high1 Ų110.5 Ų10.51%0.0056%0.059CC..Hα-helixtrans-59.3-47.9175.3-70.9164.7000110.4L397 T479 F482 W483 A572 V573 Q574 N578 E579 L580L397-I576 HydrophobicContact CD1-CG2 3.88Å; L397-I576 WeakPolarHBondContact CD1-O 3.44Å; T479-I576 HydrophobicContact CG2-CB 4.16Å; T479-I576 HydrophobicContact CG2-CG2 3.8Å; F482-I576 HydrophobicContact CB-CG2 4.21Å; F482-I576 HydrophobicContact CD1-CB 4.26Å; F482-I576 HydrophobicContact CD1-CD1 3.65Å; F482-I576 HydrophobicContact CD1-CG1 3.68Å; F482-I576 HydrophobicContact CD1-CG2 3.57Å; F482-I576 HydrophobicContact CE1-CD1 4.29Å; F482-I576 HydrophobicContact CE1-CG1 4.07Å; F482-I576 HydrophobicContact CE1-CG2 4.44Å; F482-I576 HydrophobicContact CG-CG2 4.35Å; W483-I576 HydrophobicContact CB-CD1 3.68Å; A572-I576 VanDerWaalsContact O-CG1 3.28Å; A572-I576 WeakPolarHBondContact O-CG1 3.33Å; A572-I576 PolarHBondContact O-N 2.81Å; V573-I576 PolarHBondContact O-N 2.91Å; Q574-I576 VanDerWaalsContact C-N 3.35Å; Q574-I576 PolarHBondContact O-N 2.83Å; I576-N578 VanDerWaalsContact C-N 3.33Å; I576-N578 PolarHBondContact O-N 3.21Å; I576-E579 PolarHBondContact O-N 3.06Å; I576-L580 WeakPolarHBondContact O-CB 3.49Å; I576-L580 PolarHBondContact O-N 3.49Å
577Y94.9Very high92.2Very high0 Ų09.9 Ų9.90%06%0.056CC..Hα-helixtrans-58.9-45.9179.1-167.1-87.3000111.5T479 V573 Q574 N575 L580 Q581 F602 L603 F605 L608T479-Y577 HydrophobicContact CG2-CD2 4.02Å; T479-Y577 HydrophobicContact CG2-CG 4.42Å; T479-Y577 VanDerWaalsContact OG1-CD2 3.32Å; T479-Y577 WeakPolarHBondContact OG1-CD2 3.47Å; V573-Y577 PolarHBondContact O-N 3Å; Q574-Y577 WeakPolarHBondContact O-CB 3.06Å; Q574-Y577 PolarHBondContact O-N 3.45Å; N575-Y577 VanDerWaalsContact C-N 3.34Å; N575-Y577 PolarHBondContact O-N 3.07Å; Y577-L580 PolarHBondContact O-N 3.16Å; Y577-Q581 WeakPolarHBondContact O-CB 3.35Å; Y577-Q581 PolarHBondContact O-N 3.21Å; Y577-F602 HydrophobicContact CD1-CD1 4.23Å; Y577-F602 HydrophobicContact CE1-CB 4.11Å; Y577-F602 AromaticContact CE1-CD1 3.67Å; Y577-F602 HydrophobicContact CE1-CD1 3.67Å; Y577-F602 HydrophobicContact CE1-CG 4.37Å; Y577-F602 HydrophobicContact CE2-CD1 4.12Å; Y577-F602 AromaticContact CZ-CD1 3.59Å; Y577-F602 WeakPolarHBondContact OH-CA 3.4Å; Y577-L603 PolarHBondContact OH-N 3.46Å; Y577-L603 PolarHBondContact OH-O 2.99Å; Y577-F605 HydrophobicContact CD1-CD1 4.14Å; Y577-F605 AromaticContact CD1-CE1 3.43Å; Y577-F605 HydrophobicContact CD1-CE1 3.43Å; Y577-F605 VanDerWaalsContact CD1-CE1 3.43Å; Y577-F605 HydrophobicContact CD1-CZ 4.34Å; Y577-F605 HydrophobicContact CE1-CD1 4.46Å; Y577-F605 HydrophobicContact CE1-CE1 4.11Å; Y577-F605 HydrophobicContact CG-CE1 4.14Å; Y577-L608 HydrophobicContact CD2-CD1 4.32Å; Y577-L608 HydrophobicContact CE1-CD1 4.1Å; Y577-L608 HydrophobicContact CE2-CD1 3.48Å; Y577-L608 VanDerWaalsContact CE2-CD1 3.48Å; Y577-L608 WeakPolarHBondContact OH-CD1 3.35Å
578N91.9Very high92.5Very high43 Ų4310.4 Ų10.423%0.236%0.059CC..Hα-helixtrans-61.1-46.8179.4-165.962000112.5Q574 N575 I576 Q581 T582 F605Q574-N578 WeakPolarHBondContact O-CB 3.3Å; Q574-N578 PolarHBondContact O-N 3.25Å; N575-N578 PolarHBondContact O-N 3.17Å; I576-N578 VanDerWaalsContact C-N 3.33Å; I576-N578 PolarHBondContact O-N 3.21Å; N578-Q581 PolarHBondContact O-N 3.45Å; N578-T582 WeakPolarHBondContact O-CB 3.45Å; N578-T582 PolarHBondContact O-N 2.86Å; N578-T582 PolarHBondContact O-OG1 3.23Å; N578-F605 HydrophobicContact CB-CZ 3.86Å
579E93Very high92.7Very high10 Ų1010.1 Ų10.15%0.0476%0.057CC..Hα-helixtrans-69.7-36.6-178.4-63.6-61.6171.900111L397 R398 N575 I576 T582 V583L397-E579 HydrophobicContact CB-CB 3.62Å; L397-E579 HydrophobicContact CD1-CB 4.19Å; R398-E579 HydrophobicContact CG-CG 3.83Å; R398-E579 VanDerWaalsContact CG-OE1 3.29Å; R398-E579 WeakPolarHBondContact CG-OE1 2.98Å; R398-E579 WeakPolarHBondContact CG-OE2 3.02Å; N575-E579 VanDerWaalsContact O-CG 3.25Å; N575-E579 WeakPolarHBondContact O-CG 3.46Å; N575-E579 PolarHBondContact O-N 2.82Å; I576-E579 PolarHBondContact O-N 3.06Å; E579-T582 PolarHBondContact O-N 3.42Å; E579-V583 WeakPolarHBondContact O-CG2 3.19Å; E579-V583 PolarHBondContact O-N 3.06Å
580L95.2Very high92.7Very high1 Ų112 Ų121%0.0057%0.067CC..Hα-helixtrans-61.9-45172.5-178.961.6000111.2L397 L459 I478 I576 Y577 T582 V583 V584 F600 F602L397-L580 HydrophobicContact CD1-CB 4.19Å; L397-L580 HydrophobicContact CD2-CD1 4.32Å; L459-L580 HydrophobicContact CD1-CD1 4.04Å; I478-L580 HydrophobicContact CB-CD2 4.27Å; I478-L580 HydrophobicContact CG2-CD2 3.85Å; I576-L580 WeakPolarHBondContact O-CB 3.49Å; I576-L580 PolarHBondContact O-N 3.49Å; Y577-L580 PolarHBondContact O-N 3.16Å; L580-T582 VanDerWaalsContact C-N 3.31Å; L580-T582 PolarHBondContact O-N 2.82Å; L580-V583 PolarHBondContact O-N 3.35Å; L580-V584 WeakPolarHBondContact O-CG2 3.28Å; L580-V584 PolarHBondContact O-N 3.23Å; L580-F600 HydrophobicContact CD1-CE1 4.13Å; L580-F600 HydrophobicContact CD2-CD1 4.39Å; L580-F600 HydrophobicContact CD2-CE1 4.19Å; L580-F600 HydrophobicContact CG-CE1 4.47Å; L580-F602 HydrophobicContact CB-CE1 4.39Å; L580-F602 HydrophobicContact CD2-CE1 4.2Å; L580-F602 HydrophobicContact CD2-CZ 4.49Å; L580-F602 HydrophobicContact CG-CE1 4.02Å; L580-F602 HydrophobicContact CG-CZ 4.02Å
581Q95.7Very high92.5Very high24 Ų2412.9 Ų12.911%0.1127%0.074CC..Hα-helixtrans-59.9-42174.3-175.8174.118.200111.6Y577 N578 V584 S585 F602Y577-Q581 WeakPolarHBondContact O-CB 3.35Å; Y577-Q581 PolarHBondContact O-N 3.21Å; N578-Q581 PolarHBondContact O-N 3.45Å; Q581-V584 PolarHBondContact O-N 3.33Å; Q581-S585 VanDerWaalsContact O-CB 3.25Å; Q581-S585 WeakPolarHBondContact O-CB 3.3Å; Q581-S585 PolarHBondContact O-N 3.17Å; Q581-S585 PolarHBondContact O-OG 2.91Å; Q581-F602 VanDerWaalsContact CA-CZ 3.49Å; Q581-F602 HydrophobicContact CB-CD1 3.69Å; Q581-F602 HydrophobicContact CB-CD2 4.22Å; Q581-F602 HydrophobicContact CB-CE1 3.77Å; Q581-F602 HydrophobicContact CB-CE2 4.28Å; Q581-F602 HydrophobicContact CB-CG 3.93Å; Q581-F602 HydrophobicContact CB-CZ 4.08Å; Q581-F602 HydrophobicContact CG-CB 4.13Å; Q581-F602 HydrophobicContact CG-CD1 4.06Å; Q581-F602 HydrophobicContact CG-CD2 3.88Å; Q581-F602 HydrophobicContact CG-CE1 4.47Å; Q581-F602 HydrophobicContact CG-CE2 4.29Å; Q581-F602 HydrophobicContact CG-CG 3.75Å
582T94.8Very high92.3Very high3 Ų314.5 Ų14.52%0.0189%0.093CC..Hα-helixtrans-63-47178.3-57.30000110.9L371 V401 N578 E579 L580 V584 S585 L586L371-T582 HydrophobicContact CD1-CG2 3.93Å; V401-T582 HydrophobicContact CG1-CG2 4.29Å; V401-T582 HydrophobicContact CG2-CG2 3.92Å; N578-T582 WeakPolarHBondContact O-CB 3.45Å; N578-T582 PolarHBondContact O-N 2.86Å; N578-T582 PolarHBondContact O-OG1 3.23Å; E579-T582 PolarHBondContact O-N 3.42Å; L580-T582 VanDerWaalsContact C-N 3.31Å; L580-T582 PolarHBondContact O-N 2.82Å; T582-V584 PolarHBondContact O-N 3.29Å; T582-S585 PolarHBondContact O-N 3.43Å; T582-L586 HydrophobicContact CG2-CD1 3.98Å; T582-L586 HydrophobicContact CG2-CG 4.4Å; T582-L586 WeakPolarHBondContact O-CB 3.16Å; T582-L586 VanDerWaalsContact O-CG 3.29Å; T582-L586 WeakPolarHBondContact O-CG 3.44Å; T582-L586 PolarHBondContact O-N 3.43Å
583V95.3Very high92.2Very high0 Ų020.6 Ų20.60%013%0.126CC..Hα-helixtrans-55.9-52.7175.5166.20000111L400 V401 I404 V455 E579 L580 S585 L586 L587L400-V583 HydrophobicContact CB-CG2 4.12Å; L400-V583 HydrophobicContact CD2-CB 4.44Å; L400-V583 HydrophobicContact CD2-CG1 3.48Å; L400-V583 VanDerWaalsContact CD2-CG1 3.48Å; L400-V583 HydrophobicContact CD2-CG2 4.04Å; L400-V583 HydrophobicContact CG-CG1 4.03Å; L400-V583 HydrophobicContact CG-CG2 4.08Å; V401-V583 HydrophobicContact CG2-CG2 3.6Å; I404-V583 HydrophobicContact CD1-CG1 4.43Å; V455-V583 HydrophobicContact CG2-CG1 4.36Å; E579-V583 WeakPolarHBondContact O-CG2 3.19Å; E579-V583 PolarHBondContact O-N 3.06Å; L580-V583 PolarHBondContact O-N 3.35Å; V583-S585 VanDerWaalsContact C-N 3.33Å; V583-S585 PolarHBondContact O-N 3.36Å; V583-L586 PolarHBondContact O-N 3.06Å; V583-L587 HydrophobicContact CG1-CD1 3.93Å; V583-L587 VanDerWaalsContact O-CG 3.3Å; V583-L587 WeakPolarHBondContact O-CG 3.43Å; V583-L587 PolarHBondContact O-N 3.1Å
584V95.7Very high91.9Very high2 Ų228.8 Ų28.81%0.01216%0.164CC..Hα-helixtrans-63.4-42-178173.10000110.8V451 V455 L580 Q581 T582 L587 N588 F600 F602V451-V584 HydrophobicContact CG1-CG1 4.44Å; V455-V584 HydrophobicContact CG2-CG2 4.28Å; L580-V584 WeakPolarHBondContact O-CG2 3.28Å; L580-V584 PolarHBondContact O-N 3.23Å; Q581-V584 PolarHBondContact O-N 3.33Å; T582-V584 PolarHBondContact O-N 3.29Å; V584-L587 PolarHBondContact O-N 3.37Å; V584-N588 WeakPolarHBondContact O-CB 3.33Å; V584-N588 VanDerWaalsContact O-CG 3.26Å; V584-N588 PolarHBondContact O-N 3.28Å; V584-N588 PolarHBondContact O-ND2 2.94Å; V584-F600 HydrophobicContact CG1-CB 3.96Å; V584-F600 HydrophobicContact CG2-CB 3.94Å; V584-F600 HydrophobicContact CG2-CD1 4.16Å; V584-F600 HydrophobicContact CG2-CD2 4.11Å; V584-F600 HydrophobicContact CG2-CG 3.82Å; V584-F602 HydrophobicContact CB-CE2 3.91Å; V584-F602 HydrophobicContact CB-CZ 4.2Å; V584-F602 HydrophobicContact CG1-CE2 4.03Å; V584-F602 HydrophobicContact CG2-CE2 4.12Å; V584-F602 HydrophobicContact CG2-CZ 3.98Å
585S94.9Very high91.8Very high24 Ų2430.4 Ų30.417%0.16817%0.173CC..Hα-helixtrans-64-44.8179.8-56.80000111.5L365 Q581 T582 V583 N588 C589L365-S585 VanDerWaalsContact CD1-C 3.41Å; L365-S585 WeakPolarHBondContact CD1-O 3.35Å; Q581-S585 VanDerWaalsContact O-CB 3.25Å; Q581-S585 WeakPolarHBondContact O-CB 3.3Å; Q581-S585 PolarHBondContact O-N 3.17Å; Q581-S585 PolarHBondContact O-OG 2.91Å; T582-S585 PolarHBondContact O-N 3.43Å; V583-S585 VanDerWaalsContact C-N 3.33Å; V583-S585 PolarHBondContact O-N 3.36Å; S585-N588 PolarHBondContact O-N 3.13Å; S585-C589 PolarHBondContact O-N 3.38Å; S585-C589 PolarHBondContact O-SG 3.22Å
586L94.5Very high91.9Very high2 Ų233.7 Ų33.71%0.0119%0.187CC..Hα-helixtrans-61.1-46.7176-73.9171.6000111.5L362 L365 L371 V401 I404 L405 T582 V583 N588 C589 L590L362-L586 HydrophobicContact CD1-CD2 3.34Å; L365-L586 HydrophobicContact CD1-CD2 4.27Å; L365-L586 HydrophobicContact CD2-CD2 4.02Å; L371-L586 HydrophobicContact CD1-CD1 4.34Å; L371-L586 HydrophobicContact CD2-CD2 4.37Å; V401-L586 HydrophobicContact CB-CD1 4.36Å; V401-L586 HydrophobicContact CG1-CD1 3.63Å; V401-L586 HydrophobicContact CG2-CD1 4.33Å; I404-L586 HydrophobicContact CD1-CB 4.42Å; I404-L586 HydrophobicContact CG2-CB 4.19Å; L405-L586 HydrophobicContact CD2-CD2 4.27Å; T582-L586 HydrophobicContact CG2-CD1 3.98Å; T582-L586 HydrophobicContact CG2-CG 4.4Å; T582-L586 WeakPolarHBondContact O-CB 3.16Å; T582-L586 VanDerWaalsContact O-CG 3.29Å; T582-L586 WeakPolarHBondContact O-CG 3.44Å; T582-L586 PolarHBondContact O-N 3.43Å; V583-L586 PolarHBondContact O-N 3.06Å; L586-N588 VanDerWaalsContact C-N 3.33Å; L586-N588 PolarHBondContact O-N 3.19Å; L586-C589 PolarHBondContact O-N 3.45Å; L586-L590 WeakPolarHBondContact O-CG 3.34Å; L586-L590 PolarHBondContact O-N 3.49Å
587L93.3Very high91.9Very high1 Ų134.5 Ų34.51%0.00519%0.192CC..Hα-helixtrans-63.6-39.3177.9-68173.5000111.7I404 M443 V451 I454 V455 V583 V584 C589 L590 A591I404-L587 HydrophobicContact CD1-CD2 3.78Å; I404-L587 HydrophobicContact CD1-CG 3.86Å; I404-L587 HydrophobicContact CG1-CD2 4.05Å; M443-L587 HydrophobicContact CE-CB 3.93Å; M443-L587 HydrophobicContact CE-CD2 3.48Å; M443-L587 VanDerWaalsContact CE-CD2 3.48Å; M443-L587 HydrophobicContact CE-CG 4.31Å; M443-L587 VanDerWaalsContact CE-O 3.29Å; M443-L587 WeakPolarHBondContact CE-O 3.44Å; M443-L587 HydrophobicContact SD-CD2 4.15Å; V451-L587 HydrophobicContact CB-CB 4.35Å; V451-L587 HydrophobicContact CG1-CB 3.65Å; V451-L587 HydrophobicContact CG1-CD1 4.06Å; V451-L587 HydrophobicContact CG2-CB 3.86Å; I454-L587 HydrophobicContact CB-CD1 4.47Å; I454-L587 HydrophobicContact CG2-CD1 4.08Å; I454-L587 HydrophobicContact CG2-CD2 4.27Å; V455-L587 HydrophobicContact CG2-CD1 3.62Å; V583-L587 HydrophobicContact CG1-CD1 3.93Å; V583-L587 VanDerWaalsContact O-CG 3.3Å; V583-L587 WeakPolarHBondContact O-CG 3.43Å; V583-L587 PolarHBondContact O-N 3.1Å; V584-L587 PolarHBondContact O-N 3.37Å; L587-C589 VanDerWaalsContact C-N 3.32Å; L587-C589 PolarHBondContact O-N 3.3Å; L587-L590 PolarHBondContact O-N 3Å; L587-A591 VanDerWaalsContact O-CB 3.25Å; L587-A591 WeakPolarHBondContact O-CB 3.32Å; L587-A591 PolarHBondContact O-N 3.03Å
588N93.2Very high91.7Very high36 Ų3641.4 Ų41.419%0.19322%0.222CC..Hα-helixtrans-64-33.2174.9-78.6-18.8000112.8V451 V584 S585 L586 L590 K596 S597V451-N588 WeakPolarHBondContact CG2-OD1 3.37Å; V584-N588 WeakPolarHBondContact O-CB 3.33Å; V584-N588 VanDerWaalsContact O-CG 3.26Å; V584-N588 PolarHBondContact O-N 3.28Å; V584-N588 PolarHBondContact O-ND2 2.94Å; S585-N588 PolarHBondContact O-N 3.13Å; L586-N588 VanDerWaalsContact C-N 3.33Å; L586-N588 PolarHBondContact O-N 3.19Å; N588-L590 VanDerWaalsContact C-N 3.3Å; N588-K596 HydrophobicContact CB-CG 4.29Å; N588-K596 WeakPolarHBondContact OD1-CA 3.41Å; N588-S597 PolarHBondContact OD1-N 3.08Å
589C90.1Very high91.8Very high31 Ų3140 Ų4021%0.20922%0.215CC..Hα-helixtrans-69.7-28.5175.3-76.40000113.1N361 L365 S585 L586 L587N361-C589 HydrophobicContact CB-CB 4.09Å; N361-C589 PolarHBondContact O-SG 3.47Å; N361-C589 VanDerWaalsContact O-SG 3.4Å; L365-C589 HydrophobicContact CD1-CB 4.37Å; L365-C589 WeakPolarHBondContact CD1-SG 3.5Å; S585-C589 PolarHBondContact O-N 3.38Å; S585-C589 PolarHBondContact O-SG 3.22Å; L586-C589 PolarHBondContact O-N 3.45Å; L587-C589 VanDerWaalsContact C-N 3.32Å; L587-C589 PolarHBondContact O-N 3.3Å
590L87.8Confident91.8Very high46 Ų4640.1 Ų40.124%0.24122%0.215CC..Hα-helixtrans-94.7-17.6-178.9-59.2178.8000113.4P359 I404 L408 M443 L586 L587 N588P359-L590 HydrophobicContact CG-CD2 4.29Å; I404-L590 HydrophobicContact CG2-CD1 3.67Å; L408-L590 HydrophobicContact CD1-CD1 3.86Å; L408-L590 HydrophobicContact CD1-CD2 4.02Å; L408-L590 HydrophobicContact CD1-CG 4.45Å; L408-L590 HydrophobicContact CD2-CD1 3.82Å; L408-L590 HydrophobicContact CD2-CD2 3.4Å; L408-L590 VanDerWaalsContact CD2-CD2 3.4Å; L408-L590 HydrophobicContact CD2-CG 4.21Å; L408-L590 HydrophobicContact CG-CD1 3.97Å; L408-L590 HydrophobicContact CG-CD2 4.24Å; M443-L590 HydrophobicContact CE-CB 3.93Å; M443-L590 HydrophobicContact CG-CB 4.02Å; M443-L590 HydrophobicContact CG-CD1 4.15Å; L586-L590 WeakPolarHBondContact O-CG 3.34Å; L586-L590 PolarHBondContact O-N 3.49Å; L587-L590 PolarHBondContact O-N 3Å; N588-L590 VanDerWaalsContact C-N 3.3Å
591A87.6Confident91.8Very high19 Ų1942.6 Ų42.616%0.15723%0.228CC..SBendtrans-86.7148.3177.400000111.2M443 V451 L587 N595M443-A591 HydrophobicContact CE-CB 4.3Å; V451-A591 HydrophobicContact CG2-CB 3.69Å; L587-A591 VanDerWaalsContact O-CB 3.25Å; L587-A591 WeakPolarHBondContact O-CB 3.32Å; L587-A591 PolarHBondContact O-N 3.03Å; A591-N595 HydrophobicContact CB-CB 4.03Å
592G83.7Confident91.8Very high44 Ų4443.3 Ų43.345%0.45423%0.231SC..  trans-63.7157165.800000111.6E594 N595 K596G592-E594 PolarHBondContact O-N 2.86Å; G592-E594 VanDerWaalsContact O-N 3.12Å; G592-N595 WeakPolarHBondContact O-CA 3.46Å; G592-N595 WeakPolarHBondContact O-CB 3.46Å; G592-N595 PolarHBondContact O-N 2.81Å; G592-K596 PolarHBondContact O-N 3.08Å
593D85.7Confident91.7Very high128 Ų12845.1 Ų45.168%0.68424%0.241SC*.G310 helixtrans-53.3-37.6-173.3-71.8-38.5000114.1N595 K596D593-N595 PolarHBondContact O-N 3.48Å; D593-K596 PolarHBondContact O-N 2.71Å; D593-K596 VanDerWaalsContact OD1-CE 3.23Å; D593-K596 WeakPolarHBondContact OD1-CE 3.45Å; D593-K596 IonicContact OD1-NZ 3.42Å; D593-K596 PolarHBondContact OD1-NZ 3.13Å
594E87.4Confident91.5Very high172 Ų17246.7 Ų46.780%0.80425%0.25SS*.G310 helixtrans-68-23.1178.3-59.9-175.4173.800113.8G592G592-E594 PolarHBondContact O-N 2.86Å; G592-E594 VanDerWaalsContact O-N 3.12Å
595N90.1Very high91.2Very high38 Ų3847 Ų4720%0.20325%0.252CS..G310 helixtrans-98.1-2.2-175.4-72.8-46.5000113.3S450 V451 A591 G592 D593S450-N595 CarbonylContact C-O 3.5Å; S450-N595 WeakPolarHBondContact CA-O 3.43Å; V451-N595 WeakPolarHBondContact CG2-O 3.48Å; V451-N595 PolarHBondContact N-O 3.06Å; A591-N595 HydrophobicContact CB-CB 4.03Å; G592-N595 WeakPolarHBondContact O-CA 3.46Å; G592-N595 WeakPolarHBondContact O-CB 3.46Å; G592-N595 PolarHBondContact O-N 2.81Å; D593-N595 PolarHBondContact O-N 3.48Å
596K92.3Very high90.9Very high83 Ų8346.5 Ų46.536%0.36125%0.246SC..SBendtrans-60152.2176-69.9179.6177.8167.70111.4N588 G592 D593 K598N588-K596 HydrophobicContact CB-CG 4.29Å; N588-K596 WeakPolarHBondContact OD1-CA 3.41Å; G592-K596 PolarHBondContact O-N 3.08Å; D593-K596 PolarHBondContact O-N 2.71Å; D593-K596 VanDerWaalsContact OD1-CE 3.23Å; D593-K596 WeakPolarHBondContact OD1-CE 3.45Å; D593-K596 IonicContact OD1-NZ 3.42Å; D593-K596 PolarHBondContact OD1-NZ 3.13Å; K596-K598 PolarHBondContact O-N 3.04Å
597S93.3Very high90.7Very high18 Ų1847.4 Ų47.413%0.12625%0.251CS..  trans-60.2134.7177.7179.20000111.3D452 N588 L599 F600D452-S597 WeakPolarHBondContact OD1-CA 3.32Å; D452-S597 VanDerWaalsContact OD1-CB 3.25Å; D452-S597 WeakPolarHBondContact OD1-CB 3.09Å; D452-S597 PolarHBondContact OD1-OG 3.02Å; N588-S597 PolarHBondContact OD1-N 3.08Å; S597-L599 PolarHBondContact OG-N 3.47Å; S597-F600 WeakPolarHBondContact OG-CB 3.1Å; S597-F600 WeakPolarHBondContact OG-CD2 2.91Å; S597-F600 PolarHBondContact OG-N 3.21Å; S597-F600 VanDerWaalsContact OG-N 3.1Å
598K91.2Very high90.7Very high145 Ų14547.4 Ų47.463%0.6325%0.251SS*.SBendtrans-109.7-8.4172.3-61.9179.6-176.3176.70112.7D452 K596D452-K598 PolarHBondContact OD2-N 2.8Å; K596-K598 PolarHBondContact O-N 3.04Å
599L92.8Very high90.5Very high13 Ų1345.9 Ų45.97%0.06824%0.243CC..SBendtrans-103.4-31.8-174-64.4176.9000113D452 L463 P464 F474 S597 N601D452-L599 HydrophobicContact CB-CD1 4.12Å; L463-L599 HydrophobicContact CD2-CD1 3.68Å; P464-L599 HydrophobicContact CG-CD1 4.11Å; P464-L599 HydrophobicContact CG-CD2 3.83Å; F474-L599 HydrophobicContact CD1-CB 3.99Å; F474-L599 HydrophobicContact CE1-CB 4.09Å; F474-L599 HydrophobicContact CE1-CD1 4.42Å; S597-L599 PolarHBondContact OG-N 3.47Å; L599-N601 PolarHBondContact O-N 3.43Å
600F94Very high90.5Very high12 Ų1244.4 Ų44.45%0.05323%0.233CC..  trans-95.194.7-176.1-69.4-85.1000110.8D452 V455 F474 S475 I478 L580 V584 S597 F602D452-F600 WeakPolarHBondContact OD1-CD2 3.36Å; V455-F600 HydrophobicContact CB-CE2 4.07Å; V455-F600 HydrophobicContact CB-CZ 4.32Å; V455-F600 HydrophobicContact CG1-CE1 4.35Å; V455-F600 HydrophobicContact CG1-CE2 3.76Å; V455-F600 HydrophobicContact CG1-CZ 3.52Å; F474-F600 HydrophobicContact CD1-CD1 4.46Å; F474-F600 HydrophobicContact CD1-CE1 4.3Å; F474-F600 HydrophobicContact CD1-CZ 4.42Å; F474-F600 HydrophobicContact CE1-CE1 4.16Å; F474-F600 HydrophobicContact CE1-CE2 4.18Å; F474-F600 AromaticContact CE1-CZ 3.86Å; F474-F600 HydrophobicContact CE1-CZ 3.86Å; S475-F600 WeakPolarHBondContact OG-CA 3.37Å; I478-F600 HydrophobicContact CD1-CD1 4.37Å; I478-F600 HydrophobicContact CD1-CE1 3.32Å; I478-F600 HydrophobicContact CD1-CZ 3.64Å; L580-F600 HydrophobicContact CD1-CE1 4.13Å; L580-F600 HydrophobicContact CD2-CD1 4.39Å; L580-F600 HydrophobicContact CD2-CE1 4.19Å; L580-F600 HydrophobicContact CG-CE1 4.47Å; V584-F600 HydrophobicContact CG1-CB 3.96Å; V584-F600 HydrophobicContact CG2-CB 3.94Å; V584-F600 HydrophobicContact CG2-CD1 4.16Å; V584-F600 HydrophobicContact CG2-CD2 4.11Å; V584-F600 HydrophobicContact CG2-CG 3.82Å; S597-F600 WeakPolarHBondContact OG-CB 3.1Å; S597-F600 WeakPolarHBondContact OG-CD2 2.91Å; S597-F600 PolarHBondContact OG-N 3.21Å; S597-F600 VanDerWaalsContact OG-N 3.1Å; F600-F602 HydrophobicContact CB-CE2 3.74Å; F600-F602 HydrophobicContact CB-CZ 3.98Å; F600-F602 HydrophobicContact CD1-CZ 4.16Å; F600-F602 HydrophobicContact CG-CZ 4.49Å
601N94.6Very high90.6Very high53 Ų5342.4 Ų42.428%0.28322%0.222SC..  trans-106.2134.5170.9-57.6-74.5000109.5D471 S475 L599D471-N601 HydrophobicContact CB-CB 4.3Å; D471-N601 WeakPolarHBondContact CB-ND2 3.45Å; D471-N601 PolarHBondContact O-ND2 3.16Å; S475-N601 VanDerWaalsContact CB-O 3.25Å; S475-N601 WeakPolarHBondContact CB-O 3.38Å; S475-N601 PolarHBondContact OG-N 3.35Å; S475-N601 VanDerWaalsContact OG-N 3.16Å; S475-N601 PolarHBondContact OG-O 3.01Å; L599-N601 PolarHBondContact O-N 3.43Å
602F94.7Very high90.8Very high40 Ų4041.5 Ų41.518%0.17522%0.215CC..  trans-117.6125.7-174.6-60.7-88.9000110.4Y577 L580 Q581 V584 F600Y577-F602 HydrophobicContact CD1-CD1 4.23Å; Y577-F602 HydrophobicContact CE1-CB 4.11Å; Y577-F602 AromaticContact CE1-CD1 3.67Å; Y577-F602 HydrophobicContact CE1-CD1 3.67Å; Y577-F602 HydrophobicContact CE1-CG 4.37Å; Y577-F602 HydrophobicContact CE2-CD1 4.12Å; Y577-F602 AromaticContact CZ-CD1 3.59Å; Y577-F602 WeakPolarHBondContact OH-CA 3.4Å; L580-F602 HydrophobicContact CB-CE1 4.39Å; L580-F602 HydrophobicContact CD2-CE1 4.2Å; L580-F602 HydrophobicContact CD2-CZ 4.49Å; L580-F602 HydrophobicContact CG-CE1 4.02Å; L580-F602 HydrophobicContact CG-CZ 4.02Å; Q581-F602 VanDerWaalsContact CA-CZ 3.49Å; Q581-F602 HydrophobicContact CB-CD1 3.69Å; Q581-F602 HydrophobicContact CB-CD2 4.22Å; Q581-F602 HydrophobicContact CB-CE1 3.77Å; Q581-F602 HydrophobicContact CB-CE2 4.28Å; Q581-F602 HydrophobicContact CB-CG 3.93Å; Q581-F602 HydrophobicContact CB-CZ 4.08Å; Q581-F602 HydrophobicContact CG-CB 4.13Å; Q581-F602 HydrophobicContact CG-CD1 4.06Å; Q581-F602 HydrophobicContact CG-CD2 3.88Å; Q581-F602 HydrophobicContact CG-CE1 4.47Å; Q581-F602 HydrophobicContact CG-CE2 4.29Å; Q581-F602 HydrophobicContact CG-CG 3.75Å; V584-F602 HydrophobicContact CB-CE2 3.91Å; V584-F602 HydrophobicContact CB-CZ 4.2Å; V584-F602 HydrophobicContact CG1-CE2 4.03Å; V584-F602 HydrophobicContact CG2-CE2 4.12Å; V584-F602 HydrophobicContact CG2-CZ 3.98Å; F600-F602 HydrophobicContact CB-CE2 3.74Å; F600-F602 HydrophobicContact CB-CZ 3.98Å; F600-F602 HydrophobicContact CD1-CZ 4.16Å; F600-F602 HydrophobicContact CG-CZ 4.49Å
603L93.4Very high91.1Very high41 Ų4140.1 Ų40.122%0.21520%0.197CC..  trans-90.7151.1173-66.9-178.6000110.4W472 V516 Y577 I607 L608W472-L603 HydrophobicContact CB-CD1 3.86Å; W472-L603 HydrophobicContact CB-CD2 4.43Å; W472-L603 HydrophobicContact CB-CG 3.69Å; W472-L603 HydrophobicContact CD2-CD1 3.76Å; W472-L603 HydrophobicContact CE3-CD1 4.46Å; W472-L603 HydrophobicContact CG-CD1 3.44Å; W472-L603 VanDerWaalsContact CG-CD1 3.44Å; W472-L603 HydrophobicContact CG-CG 3.85Å; V516-L603 HydrophobicContact CG1-CD1 4.35Å; V516-L603 HydrophobicContact CG2-CD1 3.68Å; Y577-L603 PolarHBondContact OH-N 3.46Å; Y577-L603 PolarHBondContact OH-O 2.99Å; L603-I607 HydrophobicContact CD1-CG2 4.25Å; L603-L608 HydrophobicContact CB-CD1 4.08Å; L603-L608 HydrophobicContact CB-CD2 4.35Å; L603-L608 HydrophobicContact CB-CG 3.97Å; L603-L608 HydrophobicContact CD1-CD2 4.05Å
604P91.4Very high91.5Very high32 Ų3234.1 Ų34.121%0.20816%0.164CC..  trans-47.8145.1169.5-33.136.4000114.8D112 W606 I607 L608D112-P604 HydrophobicContact CB-CB 4.38Å; D112-P604 HydrophobicContact CB-CG 4.41Å; D112-P604 VanDerWaalsContact OD2-CB 3.25Å; D112-P604 WeakPolarHBondContact OD2-CB 3.38Å; P604-W606 VanDerWaalsContact C-N 3.34Å; P604-W606 HydrophobicContact CB-CD2 4.49Å; P604-W606 HydrophobicContact CB-CG 4.37Å; P604-W606 PolarHBondContact O-N 3.4Å; P604-I607 HydrophobicContact CB-CB 4.49Å; P604-I607 HydrophobicContact CB-CD1 4.04Å; P604-I607 HydrophobicContact CB-CG1 4Å; P604-I607 HydrophobicContact CG-CD1 3.91Å; P604-I607 HydrophobicContact CG-CG1 4.43Å; P604-I607 WeakPolarHBondContact O-CB 3.38Å; P604-I607 PolarHBondContact O-N 3.36Å; P604-L608 PolarHBondContact O-N 3.1Å
605F88.8Confident91.8Very high10 Ų1026.1 Ų26.14%0.04413%0.127CC..Hα-helixtrans-62-39.1-179.6-75.9-28.2000113.9Y577 N578 I607 L608 F609Y577-F605 HydrophobicContact CD1-CD1 4.14Å; Y577-F605 AromaticContact CD1-CE1 3.43Å; Y577-F605 HydrophobicContact CD1-CE1 3.43Å; Y577-F605 VanDerWaalsContact CD1-CE1 3.43Å; Y577-F605 HydrophobicContact CD1-CZ 4.34Å; Y577-F605 HydrophobicContact CE1-CD1 4.46Å; Y577-F605 HydrophobicContact CE1-CE1 4.11Å; Y577-F605 HydrophobicContact CG-CE1 4.14Å; N578-F605 HydrophobicContact CB-CZ 3.86Å; F605-I607 PolarHBondContact O-N 3.35Å; F605-I607 VanDerWaalsContact O-N 3.16Å; F605-L608 PolarHBondContact O-N 3.36Å; F605-F609 HydrophobicContact CB-CD2 4.41Å; F605-F609 AromaticContact CD1-CD2 3.86Å; F605-F609 HydrophobicContact CD1-CD2 3.86Å; F605-F609 AromaticContact CD1-CE2 3.89Å; F605-F609 HydrophobicContact CD1-CE2 3.89Å; F605-F609 HydrophobicContact CE1-CE2 4.26Å; F605-F609 HydrophobicContact CG-CD2 4.46Å; F605-F609 CarbonylContact O-C 3.57Å; F605-F609 WeakPolarHBondContact O-CA 3.37Å; F605-F609 WeakPolarHBondContact O-CB 3.41Å; F605-F609 PolarHBondContact O-N 3.26Å
606W88.7Confident91.9Very high13 Ų1324.3 Ų24.35%0.04912%0.117CC..Hα-helixtrans-67.9-13.2178.861.8-93.5000112.9F57 L58 S61 N515 I519 F521 P604F57-W606 HydrophobicContact CB-CB 3.82Å; F57-W606 WeakPolarHBondContact O-CB 3.28Å; L58-W606 HydrophobicContact CD1-CE3 4.07Å; L58-W606 HydrophobicContact CD1-CZ3 4.43Å; S61-W606 VanDerWaalsContact OG-CB 3.26Å; S61-W606 WeakPolarHBondContact OG-CB 3.47Å; S61-W606 VanDerWaalsContact OG-CG 3.31Å; N515-W606 PolarHBondContact ND2-O 3.37Å; I519-W606 HydrophobicContact CD1-CE3 4.36Å; I519-W606 HydrophobicContact CD1-CH2 3.46Å; I519-W606 VanDerWaalsContact CD1-CH2 3.46Å; I519-W606 HydrophobicContact CD1-CZ3 3.3Å; I519-W606 HydrophobicContact CG1-CZ3 4.26Å; F521-W606 HydrophobicContact CD2-CH2 4.01Å; F521-W606 AromaticContact CE2-CH2 3.51Å; F521-W606 HydrophobicContact CE2-CH2 3.51Å; F521-W606 AromaticContact CE2-CZ2 3.86Å; F521-W606 HydrophobicContact CE2-CZ2 3.86Å; F521-W606 HydrophobicContact CZ-CH2 4.18Å; F521-W606 HydrophobicContact CZ-CZ2 4.35Å; P604-W606 VanDerWaalsContact C-N 3.34Å; P604-W606 HydrophobicContact CB-CD2 4.49Å; P604-W606 HydrophobicContact CB-CG 4.37Å; P604-W606 PolarHBondContact O-N 3.4Å
607I91.1Very high91.9Very high21 Ų2120.3 Ų20.311%0.10810%0.1CC..Hα-helixtrans-86-48.7171-59.3-177.2000110.8N515 V516 I519 L603 P604 F605N515-I607 WeakPolarHBondContact CB-O 3.36Å; N515-I607 WeakPolarHBondContact ND2-CA 3.35Å; N515-I607 PolarHBondContact ND2-O 3.21Å; V516-I607 HydrophobicContact CB-CG2 4.33Å; V516-I607 HydrophobicContact CG2-CG2 3.61Å; I519-I607 HydrophobicContact CD1-CD1 3.78Å; I519-I607 HydrophobicContact CD1-CG1 3.79Å; L603-I607 HydrophobicContact CD1-CG2 4.25Å; P604-I607 HydrophobicContact CB-CB 4.49Å; P604-I607 HydrophobicContact CB-CD1 4.04Å; P604-I607 HydrophobicContact CB-CG1 4Å; P604-I607 HydrophobicContact CG-CD1 3.91Å; P604-I607 HydrophobicContact CG-CG1 4.43Å; P604-I607 WeakPolarHBondContact O-CB 3.38Å; P604-I607 PolarHBondContact O-N 3.36Å; F605-I607 PolarHBondContact O-N 3.35Å; F605-I607 VanDerWaalsContact O-N 3.16Å
608L92.1Very high91.9Very high1 Ų119.5 Ų19.51%0.00510%0.095CC..Hα-helixtrans-79.2-30.1-177.3-67.4178.5000113.6W472 L476 A512 V516 Y577 L603 P604 F605 P610W472-L608 HydrophobicContact CE3-CD2 4.43Å; L476-L608 HydrophobicContact CD2-CD2 4.22Å; A512-L608 VanDerWaalsContact CA-O 3.29Å; A512-L608 WeakPolarHBondContact CA-O 3.13Å; A512-L608 HydrophobicContact CB-CD2 4.2Å; A512-L608 VanDerWaalsContact CB-O 3.26Å; A512-L608 WeakPolarHBondContact CB-O 3.5Å; V516-L608 HydrophobicContact CG2-CD2 4.09Å; Y577-L608 HydrophobicContact CD2-CD1 4.32Å; Y577-L608 HydrophobicContact CE1-CD1 4.1Å; Y577-L608 HydrophobicContact CE2-CD1 3.48Å; Y577-L608 VanDerWaalsContact CE2-CD1 3.48Å; Y577-L608 WeakPolarHBondContact OH-CD1 3.35Å; L603-L608 HydrophobicContact CB-CD1 4.08Å; L603-L608 HydrophobicContact CB-CD2 4.35Å; L603-L608 HydrophobicContact CB-CG 3.97Å; L603-L608 HydrophobicContact CD1-CD2 4.05Å; P604-L608 PolarHBondContact O-N 3.1Å; F605-L608 PolarHBondContact O-N 3.36Å; L608-P610 VanDerWaalsContact C-CD 3.47Å; L608-P610 WeakPolarHBondContact O-CD 3.35Å
609F90Very high92Very high4 Ų412.8 Ų12.82%0.0187%0.066CC..SBendtrans-128.764.7-174.4-50.2-71.5000109.9F57 I508 V573 Q574 F605 S611 F612F57-F609 WeakPolarHBondContact CD2-O 3.41Å; I508-F609 HydrophobicContact CG2-CD1 4.47Å; I508-F609 HydrophobicContact CG2-CE1 4.03Å; V573-F609 HydrophobicContact CG1-CE1 3.65Å; V573-F609 HydrophobicContact CG1-CZ 3.77Å; Q574-F609 HydrophobicContact CG-CD1 4.35Å; Q574-F609 HydrophobicContact CG-CD2 3.82Å; Q574-F609 HydrophobicContact CG-CE2 4.01Å; Q574-F609 HydrophobicContact CG-CG 4.01Å; Q574-F609 HydrophobicContact CG-CZ 4.36Å; F605-F609 HydrophobicContact CB-CD2 4.41Å; F605-F609 AromaticContact CD1-CD2 3.86Å; F605-F609 HydrophobicContact CD1-CD2 3.86Å; F605-F609 AromaticContact CD1-CE2 3.89Å; F605-F609 HydrophobicContact CD1-CE2 3.89Å; F605-F609 HydrophobicContact CE1-CE2 4.26Å; F605-F609 HydrophobicContact CG-CD2 4.46Å; F605-F609 CarbonylContact O-C 3.57Å; F605-F609 WeakPolarHBondContact O-CA 3.37Å; F605-F609 WeakPolarHBondContact O-CB 3.41Å; F605-F609 PolarHBondContact O-N 3.26Å; F609-S611 PolarHBondContact O-N 2.91Å; F609-F612 HydrophobicContact CB-CE1 4.33Å
610P89.5Confident91.9Very high0 Ų012.7 Ų12.70%07%0.065CC..  trans-63.5-42.9-171.324.2-34.9000113.6F57 L58 N515 Y530 L608F57-P610 PolarHBondContact N-O 2.89Å; L58-P610 HydrophobicContact CB-CB 4.01Å; L58-P610 WeakPolarHBondContact CB-O 3.43Å; L58-P610 HydrophobicContact CD2-CB 4.3Å; L58-P610 PolarHBondContact N-O 2.89Å; N515-P610 HydrophobicContact CB-CB 4.4Å; N515-P610 HydrophobicContact CB-CG 3.83Å; Y530-P610 HydrophobicContact CD2-CB 4.49Å; Y530-P610 HydrophobicContact CE2-CB 4.03Å; Y530-P610 HydrophobicContact CE2-CG 4.28Å; L608-P610 VanDerWaalsContact C-CD 3.47Å; L608-P610 WeakPolarHBondContact O-CD 3.35Å
611S90.6Very high91.8Very high3 Ų313.8 Ų13.82%0.0217%0.07CC..  trans-148.9121.8-172.1174.70000110.5E56 F609 H613 L614 V615E56-S611 PolarHBondContact OE1-OG 3.06Å; E56-S611 WeakPolarHBondContact OE2-CA 3.5Å; E56-S611 WeakPolarHBondContact OE2-CB 3.44Å; E56-S611 PolarHBondContact OE2-OG 3.32Å; F609-S611 PolarHBondContact O-N 2.91Å; S611-H613 PolarHBondContact OG-N 2.8Å; S611-L614 PolarHBondContact OG-N 3.41Å; S611-L614 VanDerWaalsContact OG-N 3.08Å; S611-V615 WeakPolarHBondContact O-CG2 3.17Å; S611-V615 PolarHBondContact O-N 3.41Å
612F91.3Very high91.7Very high1 Ų111.3 Ų11.30%0.0046%0.057CC..Hα-helixtrans-73.3-33.1174.5-83.829.6000111.1N55 E56 F57 V562 L567 L570 I571 Q574 F609 L614 V615 D616N55-F612 HydrophobicContact CB-CB 4.11Å; N55-F612 HydrophobicContact CB-CD1 3.93Å; N55-F612 HydrophobicContact CB-CD2 3.36Å; N55-F612 HydrophobicContact CB-CE1 4.17Å; N55-F612 HydrophobicContact CB-CE2 3.58Å; N55-F612 HydrophobicContact CB-CG 3.53Å; N55-F612 HydrophobicContact CB-CZ 3.99Å; N55-F612 WeakPolarHBondContact O-CD1 3.45Å; N55-F612 PolarHBondContact O-N 2.78Å; E56-F612 PolarHBondContact OE1-N 2.8Å; F57-F612 HydrophobicContact CD2-CE1 4.16Å; F57-F612 HydrophobicContact CE2-CD1 4.26Å; F57-F612 AromaticContact CE2-CE1 3.63Å; F57-F612 HydrophobicContact CE2-CE1 3.63Å; F57-F612 AromaticContact CE2-CZ 3.97Å; F57-F612 HydrophobicContact CE2-CZ 3.97Å; V562-F612 HydrophobicContact CG2-CB 4.05Å; L567-F612 HydrophobicContact CD1-CD2 3.88Å; L567-F612 HydrophobicContact CD1-CE2 4.07Å; L570-F612 HydrophobicContact CB-CD1 4.45Å; L570-F612 HydrophobicContact CB-CD2 3.75Å; L570-F612 HydrophobicContact CB-CE1 4.07Å; L570-F612 HydrophobicContact CB-CE2 3.37Å; L570-F612 HydrophobicContact CB-CG 4.31Å; L570-F612 HydrophobicContact CB-CZ 3.54Å; L570-F612 HydrophobicContact CD1-CB 3.95Å; L570-F612 HydrophobicContact CD1-CD1 4.18Å; L570-F612 HydrophobicContact CD1-CD2 3.61Å; L570-F612 HydrophobicContact CD1-CE2 4.16Å; L570-F612 HydrophobicContact CD1-CG 3.65Å; L570-F612 HydrophobicContact CG-CD2 4.28Å; L570-F612 HydrophobicContact CG-CE2 4.35Å; L570-F612 HydrophobicContact CG-CG 4.48Å; I571-F612 HydrophobicContact CG1-CE2 4.12Å; Q574-F612 VanDerWaalsContact CD-CZ 3.48Å; Q574-F612 HydrophobicContact CG-CZ 4.33Å; F609-F612 HydrophobicContact CB-CE1 4.33Å; F612-L614 VanDerWaalsContact C-N 3.34Å; F612-V615 PolarHBondContact O-N 2.74Å; F612-D616 VanDerWaalsContact O-CB 3.28Å; F612-D616 WeakPolarHBondContact O-CB 3.16Å; F612-D616 PolarHBondContact O-N 2.73Å
613H90.7Very high91.4Very high15 Ų1512.5 Ų12.57%0.0697%0.065CC..Hα-helixtrans-62.9-41.8174.9-76.6-65.9000112.1H54 E56 I534 R538 K560 S611 V615 D616 C617H54-H613 AromaticContact CD2-NE2 3.3Å; H54-H613 PolarHBondContact CD2-NE2 2.92Å; H54-H613 VanDerWaalsContact CD2-NE2 3.3Å; H54-H613 AromaticContact NE2-NE2 3.99Å; E56-H613 IonicContact OE1-CD2 3.62Å; E56-H613 PolarHBondContact OE1-CD2 3.12Å; E56-H613 IonicContact OE1-CG 3.92Å; E56-H613 PolarHBondContact OE1-N 3.45Å; E56-H613 VanDerWaalsContact OE1-N 3.12Å; I534-H613 HydrophobicContact CD1-CB 3.86Å; I534-H613 HydrophobicContact CG1-CB 4.41Å; R538-H613 PolarHBondContact NH2-ND1 3.27Å; K560-H613 PolarHBondContact O-CE1 3.04Å; S611-H613 PolarHBondContact OG-N 2.8Å; H613-V615 VanDerWaalsContact C-N 3.35Å; H613-V615 PolarHBondContact O-N 3.21Å; H613-D616 PolarHBondContact O-N 2.92Å; H613-C617 WeakPolarHBondContact O-CB 3.27Å; H613-C617 PolarHBondContact O-N 2.76Å; H613-C617 PolarHBondContact O-SG 2.93Å
614L92.5Very high91Very high1 Ų113.2 Ų13.21%0.0057%0.069CC..Hα-helixtrans-60.5-46.7176.6-178.262000111.3Y530 W533 I534 S611 F612 C617 L618 L642Y530-L614 HydrophobicContact CD1-CD2 3.74Å; Y530-L614 HydrophobicContact CD2-CD2 4.43Å; Y530-L614 HydrophobicContact CE1-CD2 4.12Å; Y530-L614 HydrophobicContact CG-CD2 3.93Å; W533-L614 HydrophobicContact CB-CD1 4.29Å; I534-L614 HydrophobicContact CD1-CB 4.13Å; I534-L614 HydrophobicContact CG1-CB 4.03Å; I534-L614 HydrophobicContact CG1-CD1 4.07Å; S611-L614 PolarHBondContact OG-N 3.41Å; S611-L614 VanDerWaalsContact OG-N 3.08Å; F612-L614 VanDerWaalsContact C-N 3.34Å; L614-C617 PolarHBondContact O-N 2.94Å; L614-L618 VanDerWaalsContact O-CB 3.3Å; L614-L618 WeakPolarHBondContact O-CB 3.18Å; L614-L618 PolarHBondContact O-N 2.93Å; L614-L642 HydrophobicContact CD1-CD2 4.2Å
615V94.3Very high90.9Very high4 Ų413.5 Ų13.52%0.0247%0.067CC..Hα-helixtrans-64.5-43.7179.1178.90000111.4I504 A507 I508 C511 L570 S611 F612 H613 L618 S619I504-V615 HydrophobicContact CD1-CG1 3.73Å; A507-V615 HydrophobicContact CB-CG1 3.91Å; I508-V615 HydrophobicContact CG1-CG1 3.67Å; C511-V615 HydrophobicContact CB-CG2 3.78Å; L570-V615 HydrophobicContact CD1-CB 4.36Å; L570-V615 HydrophobicContact CD1-CG1 4.35Å; L570-V615 HydrophobicContact CD2-CB 4.16Å; L570-V615 HydrophobicContact CD2-CG1 3.72Å; L570-V615 HydrophobicContact CD2-CG2 4.42Å; S611-V615 WeakPolarHBondContact O-CG2 3.17Å; S611-V615 PolarHBondContact O-N 3.41Å; F612-V615 PolarHBondContact O-N 2.74Å; H613-V615 VanDerWaalsContact C-N 3.35Å; H613-V615 PolarHBondContact O-N 3.21Å; V615-L618 PolarHBondContact O-N 3.42Å; V615-S619 WeakPolarHBondContact O-CB 3.37Å; V615-S619 PolarHBondContact O-N 2.65Å
616D92Very high90.9Very high0 Ų018.7 Ų18.70%010%0.095CC..Hα-helixtrans-61.6-47.8177.9-175.878.6000111.7V562 T563 N566 F612 H613 S619 H620V562-D616 HydrophobicContact CB-CB 4.46Å; V562-D616 HydrophobicContact CG1-CB 3.94Å; V562-D616 HydrophobicContact CG2-CB 4.37Å; T563-D616 PolarHBondContact N-OD1 3Å; T563-D616 VanDerWaalsContact N-OD1 3.14Å; T563-D616 PolarHBondContact OG1-OD1 3.19Å; N566-D616 VanDerWaalsContact CB-OD1 3.23Å; N566-D616 WeakPolarHBondContact CB-OD1 3.48Å; N566-D616 PolarHBondContact ND2-OD1 2.77Å; F612-D616 VanDerWaalsContact O-CB 3.28Å; F612-D616 WeakPolarHBondContact O-CB 3.16Å; F612-D616 PolarHBondContact O-N 2.73Å; H613-D616 PolarHBondContact O-N 2.92Å; D616-S619 PolarHBondContact O-N 2.87Å; D616-H620 PolarHBondContact O-N 3.37Å; D616-H620 PolarHBondContact O-ND1 3.45Å; D616-H620 IonicContact OD1-CE1 2.86Å; D616-H620 PolarHBondContact OD1-CE1 3.32Å; D616-H620 VanDerWaalsContact OD1-CE1 3.28Å; D616-H620 IonicContact OD1-ND1 2.74Å; D616-H620 IonicContact OD2-CE1 3.55Å; D616-H620 PolarHBondContact OD2-CE1 2.95Å; D616-H620 IonicContact OD2-ND1 2.71Å; D616-H620 PolarHBondContact OD2-ND1 3.16Å
617C92.2Very high90.9Very high0 Ų020.1 Ų20.10%011%0.106CC..Hα-helixtrans-61.1-48.7178-65.20000111.1I537 C558 H613 L614 S619 H620 H621I537-C617 HydrophobicContact CB-CB 4.06Å; I537-C617 HydrophobicContact CD1-CB 4.28Å; I537-C617 HydrophobicContact CG2-CB 3.75Å; I537-C617 VanDerWaalsContact CG2-O 3.31Å; I537-C617 WeakPolarHBondContact CG2-O 3.19Å; C558-C617 PolarHBondContact SG-SG 3.12Å; H613-C617 WeakPolarHBondContact O-CB 3.27Å; H613-C617 PolarHBondContact O-N 2.76Å; H613-C617 PolarHBondContact O-SG 2.93Å; L614-C617 PolarHBondContact O-N 2.94Å; C617-S619 VanDerWaalsContact C-N 3.32Å; C617-S619 PolarHBondContact O-N 3.15Å; C617-H620 PolarHBondContact O-N 3.25Å; C617-H621 PolarHBondContact O-N 3.37Å
618L94.3Very high90.8Very high1 Ų123.2 Ų23.21%0.00513%0.13CC..Hα-helixtrans-63-39.8179.1-177.360.5000111.5A507 T510 I537 L614 V615 H621 L622 I634 W638 L642A507-L618 HydrophobicContact CB-CB 4.13Å; A507-L618 HydrophobicContact CB-CD2 4.1Å; A507-L618 HydrophobicContact CB-CG 4Å; T510-L618 HydrophobicContact CG2-CD2 4.22Å; I537-L618 HydrophobicContact CD1-CB 4.48Å; L614-L618 VanDerWaalsContact O-CB 3.3Å; L614-L618 WeakPolarHBondContact O-CB 3.18Å; L614-L618 PolarHBondContact O-N 2.93Å; V615-L618 PolarHBondContact O-N 3.42Å; L618-H621 PolarHBondContact O-N 3.14Å; L618-L622 HydrophobicContact CD1-CG 4.47Å; L618-L622 HydrophobicContact CG-CD1 4.28Å; L618-L622 VanDerWaalsContact O-CG 3.31Å; L618-L622 WeakPolarHBondContact O-CG 3.42Å; L618-L622 PolarHBondContact O-N 3.08Å; L618-I634 HydrophobicContact CD1-CD1 4.23Å; L618-I634 HydrophobicContact CD2-CD1 4.18Å; L618-I634 HydrophobicContact CG-CD1 4.44Å; L618-W638 HydrophobicContact CD1-CD2 3.63Å; L618-W638 HydrophobicContact CD1-CE3 4.14Å; L618-W638 HydrophobicContact CD1-CG 3.82Å; L618-W638 HydrophobicContact CD1-CZ2 4.35Å; L618-L642 HydrophobicContact CD2-CD1 4.26Å
619S93.7Very high90.9Very high3 Ų326.7 Ų26.72%0.02115%0.148CC..Hα-helixtrans-59.8-48.9176.1-174.60000111.6I504 V615 D616 C617 H621 L622 D623I504-S619 VanDerWaalsContact CA-OG 3.25Å; I504-S619 WeakPolarHBondContact CA-OG 3.38Å; I504-S619 WeakPolarHBondContact CB-OG 3.27Å; I504-S619 PolarHBondContact N-OG 2.97Å; V615-S619 WeakPolarHBondContact O-CB 3.37Å; V615-S619 PolarHBondContact O-N 2.65Å; D616-S619 PolarHBondContact O-N 2.87Å; C617-S619 VanDerWaalsContact C-N 3.32Å; C617-S619 PolarHBondContact O-N 3.15Å; S619-H621 VanDerWaalsContact C-N 3.3Å; S619-H621 PolarHBondContact O-N 3.32Å; S619-L622 PolarHBondContact O-N 3.17Å; S619-D623 WeakPolarHBondContact O-CB 3.34Å; S619-D623 PolarHBondContact O-N 3.06Å
620H90.4Very high91.1Very high12 Ų1227.1 Ų27.16%0.05615%0.149CC..Hα-helixtrans-60.9-40.5177.1-74.194.7000112.2T563 N566 D616 C617 L622 D623 N624T563-H620 WeakPolarHBondContact CG2-CE1 3.49Å; T563-H620 VanDerWaalsContact CG2-NE2 3.35Å; T563-H620 WeakPolarHBondContact CG2-NE2 3.24Å; N566-H620 PolarHBondContact ND2-CE1 3.23Å; D616-H620 PolarHBondContact O-N 3.37Å; D616-H620 PolarHBondContact O-ND1 3.45Å; D616-H620 IonicContact OD1-CE1 2.86Å; D616-H620 PolarHBondContact OD1-CE1 3.32Å; D616-H620 VanDerWaalsContact OD1-CE1 3.28Å; D616-H620 IonicContact OD1-ND1 2.74Å; D616-H620 IonicContact OD2-CE1 3.55Å; D616-H620 PolarHBondContact OD2-CE1 2.95Å; D616-H620 IonicContact OD2-ND1 2.71Å; D616-H620 PolarHBondContact OD2-ND1 3.16Å; C617-H620 PolarHBondContact O-N 3.25Å; H620-L622 VanDerWaalsContact C-N 3.32Å; H620-L622 PolarHBondContact O-N 2.91Å; H620-D623 PolarHBondContact O-N 3.19Å; H620-N624 PolarHBondContact O-N 2.89Å; H620-N624 PolarHBondContact O-ND2 3.39Å
621H90.9Very high91.3Very high35 Ų3528.9 Ų28.916%0.16216%0.158CC..Hα-helixtrans-61.8-41.7177.1-175.284.1000111.8I537 C617 L618 S619 Q625 H633 W638I537-H621 HydrophobicContact CG2-CB 3.9Å; C617-H621 PolarHBondContact O-N 3.37Å; L618-H621 PolarHBondContact O-N 3.14Å; S619-H621 VanDerWaalsContact C-N 3.3Å; S619-H621 PolarHBondContact O-N 3.32Å; H621-Q625 WeakPolarHBondContact O-CG 3.31Å; H621-H633 AromaticContact NE2-CE1 3.43Å; H621-H633 PolarHBondContact NE2-CE1 3.35Å; H621-W638 AromaticContact CD2-CE2 3.74Å; H621-W638 AromaticContact CD2-CZ2 3.43Å; H621-W638 VanDerWaalsContact CD2-CZ2 3.43Å; H621-W638 WeakPolarHBondContact CD2-CZ2 3.19Å; H621-W638 AromaticContact CD2-NE1 3.5Å; H621-W638 AromaticContact CE1-CZ2 4Å; H621-W638 AromaticContact CG-CZ2 3.85Å; H621-W638 AromaticContact NE2-CE2 3.99Å; H621-W638 AromaticContact NE2-CZ2 3.54Å; H621-W638 AromaticContact NE2-NE1 3.82Å
622L92Very high91.5Very high0 Ų033.9 Ų33.90%018%0.184CC..Hα-helixtrans-71-31.3175.7-66.8173.7000113S503 L506 A507 L618 S619 H620 N624 Q625 R630 I634S503-L622 WeakPolarHBondContact O-CD1 3.43Å; L506-L622 HydrophobicContact CB-CD1 4.06Å; A507-L622 HydrophobicContact CB-CD1 4.35Å; L618-L622 HydrophobicContact CD1-CG 4.47Å; L618-L622 HydrophobicContact CG-CD1 4.28Å; L618-L622 VanDerWaalsContact O-CG 3.31Å; L618-L622 WeakPolarHBondContact O-CG 3.42Å; L618-L622 PolarHBondContact O-N 3.08Å; S619-L622 PolarHBondContact O-N 3.17Å; H620-L622 VanDerWaalsContact C-N 3.32Å; H620-L622 PolarHBondContact O-N 2.91Å; L622-N624 VanDerWaalsContact C-N 3.27Å; L622-N624 PolarHBondContact O-N 3.28Å; L622-Q625 VanDerWaalsContact O-CB 3.28Å; L622-Q625 WeakPolarHBondContact O-CB 3.29Å; L622-Q625 PolarHBondContact O-N 3.14Å; L622-R630 HydrophobicContact CB-CG 4.43Å; L622-R630 HydrophobicContact CD2-CB 4.43Å; L622-R630 PolarHBondContact O-NE 3.26Å; L622-I634 HydrophobicContact CD1-CD1 3.73Å; L622-I634 HydrophobicContact CD1-CG1 3.98Å; L622-I634 HydrophobicContact CD2-CD1 3.95Å; L622-I634 HydrophobicContact CD2-CG1 3.85Å; L622-I634 HydrophobicContact CG-CD1 4.32Å
623D89.1Confident91.7Very high65 Ų6535.3 Ų35.335%0.34819%0.19SC..Hα-helixtrans-65.5-33.8179.7-148.653.7000111.9S503 L556 S619 H620 Q625 R630S503-D623 PolarHBondContact OG-OD1 3.12Å; L556-D623 VanDerWaalsContact CD1-OD2 3.24Å; L556-D623 WeakPolarHBondContact CD1-OD2 3.46Å; S619-D623 WeakPolarHBondContact O-CB 3.34Å; S619-D623 PolarHBondContact O-N 3.06Å; H620-D623 PolarHBondContact O-N 3.19Å; D623-Q625 PolarHBondContact O-N 3.29Å; D623-Q625 VanDerWaalsContact O-N 3.09Å; D623-R630 PolarHBondContact O-NH2 2.89Å; D623-R630 IonicContact OD1-NH2 3.56Å
624N86.3Confident91.9Very high57 Ų5734.6 Ų34.631%0.30519%0.187SC..THydrogen-bonded Turntrans-69.1-0172.3-66.6-30.2000113.9L555 H620 L622L555-N624 HydrophobicContact CD2-CB 4.36Å; L555-N624 WeakPolarHBondContact CD2-OD1 3.24Å; H620-N624 PolarHBondContact O-N 2.89Å; H620-N624 PolarHBondContact O-ND2 3.39Å; L622-N624 VanDerWaalsContact C-N 3.27Å; L622-N624 PolarHBondContact O-N 3.28Å
625Q87.7Confident92.1Very high37 Ų3735.3 Ų35.317%0.17319%0.191CC..SBendtrans-108.2155.9-179.4-54.4-166.6-31.800112H621 L622 D623 I629 R630 H633H621-Q625 WeakPolarHBondContact O-CG 3.31Å; L622-Q625 VanDerWaalsContact O-CB 3.28Å; L622-Q625 WeakPolarHBondContact O-CB 3.29Å; L622-Q625 PolarHBondContact O-N 3.14Å; D623-Q625 PolarHBondContact O-N 3.29Å; D623-Q625 VanDerWaalsContact O-N 3.09Å; Q625-I629 HydrophobicContact CB-CD1 3.98Å; Q625-I629 HydrophobicContact CB-CG1 4.04Å; Q625-R630 HydrophobicContact CB-CG 4.2Å; Q625-R630 PolarHBondContact O-NE 3.49Å; Q625-R630 PolarHBondContact O-NH2 3.3Å; Q625-R630 VanDerWaalsContact O-NH2 3.12Å; Q625-H633 VanDerWaalsContact CD-ND1 3.26Å; Q625-H633 PolarHBondContact NE2-CE1 2.96Å; Q625-H633 PolarHBondContact NE2-ND1 2.96Å; Q625-H633 PolarHBondContact OE1-ND1 3.43Å
626L88.9Confident92Very high119 Ų11938.8 Ų38.862%0.62322%0.216SC*.  trans-60.9140.3171.1-69.3173.9000110.1S628 I629L626-S628 VanDerWaalsContact C-N 3.28Å; L626-S628 PolarHBondContact O-N 3.48Å; L626-I629 HydrophobicContact CB-CD1 4.4Å; L626-I629 HydrophobicContact CB-CG1 4.05Å; L626-I629 WeakPolarHBondContact O-CG1 3.42Å; L626-I629 PolarHBondContact O-N 3.13Å; L626-I629 VanDerWaalsContact O-N 3.09Å
627P89.3Confident92.1Very high44 Ų4441.7 Ų41.729%0.28623%0.227SC..Hα-helixtrans-54.4-45-175.7-28.637.7000113E496 N501 I629 R630E496-P627 HydrophobicContact CG-CB 4.38Å; E496-P627 WeakPolarHBondContact OE1-CB 3.42Å; E496-P627 WeakPolarHBondContact OE1-CG 3.35Å; N501-P627 HydrophobicContact CB-CB 4.01Å; N501-P627 PolarHBondContact OD1-O 2.99Å; P627-I629 PolarHBondContact O-N 3.48Å; P627-I629 VanDerWaalsContact O-N 3.15Å; P627-R630 PolarHBondContact O-N 3.15Å
628S89.7Confident92.2Very high86 Ų8641.8 Ų41.860%0.60123%0.228SC*.Hα-helixtrans-65.9-15.6-177.255.80000115.3L626L626-S628 VanDerWaalsContact C-N 3.28Å; L626-S628 PolarHBondContact O-N 3.48Å
629I92.5Very high92.2Very high74 Ų7441.7 Ų41.738%0.37923%0.227SC..Hα-helixtrans-100.5-14.6-179.966.7166.8000113Q625 L626 P627 L631 I632 H633Q625-I629 HydrophobicContact CB-CD1 3.98Å; Q625-I629 HydrophobicContact CB-CG1 4.04Å; L626-I629 HydrophobicContact CB-CD1 4.4Å; L626-I629 HydrophobicContact CB-CG1 4.05Å; L626-I629 WeakPolarHBondContact O-CG1 3.42Å; L626-I629 PolarHBondContact O-N 3.13Å; L626-I629 VanDerWaalsContact O-N 3.09Å; P627-I629 PolarHBondContact O-N 3.48Å; P627-I629 VanDerWaalsContact O-N 3.15Å; I629-L631 PolarHBondContact O-N 3.39Å; I629-I632 PolarHBondContact O-N 2.95Å; I629-H633 WeakPolarHBondContact O-CB 3.12Å; I629-H633 PolarHBondContact O-N 3.23Å
630R94.7Very high92.1Very high13 Ų1343.6 Ų43.65%0.04924%0.24CC..Hα-helixtrans-59.1-46.1-171.8-68.7168.9-178.8160.75.5112.3E496 N501 L506 L622 D623 Q625 P627 I632 H633 I634E496-R630 IonicContact OE1-CZ 2.65Å; E496-R630 IonicContact OE1-NH1 3.74Å; E496-R630 PolarHBondContact OE1-NH1 3.5Å; E496-R630 IonicContact OE1-NH2 3.42Å; E496-R630 IonicContact OE2-NH1 3.59Å; E496-R630 PolarHBondContact OE2-NH1 2.97Å; N501-R630 WeakPolarHBondContact O-CD 3.33Å; N501-R630 PolarHBondContact O-NH1 3.16Å; L506-R630 HydrophobicContact CD1-CB 3.54Å; L622-R630 HydrophobicContact CB-CG 4.43Å; L622-R630 HydrophobicContact CD2-CB 4.43Å; L622-R630 PolarHBondContact O-NE 3.26Å; D623-R630 PolarHBondContact O-NH2 2.89Å; D623-R630 IonicContact OD1-NH2 3.56Å; Q625-R630 HydrophobicContact CB-CG 4.2Å; Q625-R630 PolarHBondContact O-NE 3.49Å; Q625-R630 PolarHBondContact O-NH2 3.3Å; Q625-R630 VanDerWaalsContact O-NH2 3.12Å; P627-R630 PolarHBondContact O-N 3.15Å; R630-I632 PolarHBondContact O-N 3.33Å; R630-H633 PolarHBondContact O-N 3.42Å; R630-I634 WeakPolarHBondContact O-CG1 3.49Å; R630-I634 PolarHBondContact O-N 2.91Å
631L94.6Very high92.1Very high36 Ų3647.4 Ų47.419%0.18825%0.253CS..Hα-helixtrans-61.7-43.9178.3-179.664.4000112.5E500 L506 I629 H633 I634 T635 F659 V663E500-L631 HydrophobicContact CB-CD2 4.22Å; L506-L631 HydrophobicContact CD2-CD1 4.2Å; I629-L631 PolarHBondContact O-N 3.39Å; L631-H633 VanDerWaalsContact C-N 3.33Å; L631-I634 PolarHBondContact O-N 3.44Å; L631-T635 HydrophobicContact CD1-CG2 4.42Å; L631-T635 WeakPolarHBondContact O-CG2 3.32Å; L631-T635 PolarHBondContact O-N 3.31Å; L631-T635 VanDerWaalsContact O-N 3.08Å; L631-T635 PolarHBondContact O-OG1 3.22Å; L631-F659 HydrophobicContact CD1-CE1 3.67Å; L631-F659 HydrophobicContact CD1-CZ 4.4Å; L631-V663 HydrophobicContact CD1-CG1 4.33Å; L631-V663 HydrophobicContact CD1-CG2 4.4Å
632I94.7Very high92.2Very high109 Ų10945.8 Ų45.856%0.55925%0.246SC*.Hα-helixtrans-63.8-44.7178.3-63.6172.1000109.3I629 R630 T635 S636I629-I632 PolarHBondContact O-N 2.95Å; R630-I632 PolarHBondContact O-N 3.33Å; I632-T635 PolarHBondContact O-N 3.25Å; I632-T635 PolarHBondContact O-OG1 3.41Å; I632-T635 VanDerWaalsContact O-OG1 3.1Å; I632-S636 WeakPolarHBondContact O-CB 3.39Å; I632-S636 PolarHBondContact O-N 3.45Å; I632-S636 PolarHBondContact O-OG 3.36Å
633H94.6Very high92Very high31 Ų3146.3 Ų46.314%0.14425%0.25CC..Hα-helixtrans-65.3-41.9-179.7-170.3-139.8000112H621 Q625 I629 R630 L631 T635 Y637 W638H621-H633 AromaticContact NE2-CE1 3.43Å; H621-H633 PolarHBondContact NE2-CE1 3.35Å; Q625-H633 VanDerWaalsContact CD-ND1 3.26Å; Q625-H633 PolarHBondContact NE2-CE1 2.96Å; Q625-H633 PolarHBondContact NE2-ND1 2.96Å; Q625-H633 PolarHBondContact OE1-ND1 3.43Å; I629-H633 WeakPolarHBondContact O-CB 3.12Å; I629-H633 PolarHBondContact O-N 3.23Å; R630-H633 PolarHBondContact O-N 3.42Å; L631-H633 VanDerWaalsContact C-N 3.33Å; H633-T635 PolarHBondContact O-N 3.27Å; H633-Y637 WeakPolarHBondContact CD2-CB 3.22Å; H633-Y637 AromaticContact CD2-CG 3.76Å; H633-Y637 AromaticContact CE1-CD1 3.99Å; H633-Y637 AromaticContact NE2-CD1 3.4Å; H633-Y637 WeakPolarHBondContact NE2-CD1 3.32Å; H633-Y637 AromaticContact NE2-CD2 3.96Å; H633-Y637 AromaticContact NE2-CG 3.34Å; H633-Y637 VanDerWaalsContact NE2-CG 3.34Å; H633-Y637 WeakPolarHBondContact O-CA 3.42Å; H633-Y637 WeakPolarHBondContact O-CB 3.27Å; H633-Y637 PolarHBondContact O-N 2.66Å; H633-W638 AromaticContact CE1-CD1 3.77Å; H633-W638 AromaticContact CE1-NE1 3.18Å; H633-W638 PolarHBondContact CE1-NE1 2.71Å; H633-W638 AromaticContact ND1-CD1 3.69Å; H633-W638 AromaticContact ND1-NE1 3.41Å; H633-W638 PolarHBondContact ND1-NE1 3.08Å; H633-W638 AromaticContact NE2-NE1 3.95Å; H633-W638 PolarHBondContact O-N 3.38Å
634I96.3Very high91.6Very high0 Ų045.1 Ų45.10%025%0.246CC..Iπ-helixtrans-58.5-48.5174.8-76.3-72.1000111.6L506 T510 L618 L622 R630 L631 W638 I639 F659L506-I634 HydrophobicContact CB-CG1 4.49Å; T510-I634 HydrophobicContact CG2-CD1 4.17Å; T510-I634 HydrophobicContact CG2-CG2 4.1Å; T510-I634 WeakPolarHBondContact OG1-CG2 3.47Å; L618-I634 HydrophobicContact CD1-CD1 4.23Å; L618-I634 HydrophobicContact CD2-CD1 4.18Å; L618-I634 HydrophobicContact CG-CD1 4.44Å; L622-I634 HydrophobicContact CD1-CD1 3.73Å; L622-I634 HydrophobicContact CD1-CG1 3.98Å; L622-I634 HydrophobicContact CD2-CD1 3.95Å; L622-I634 HydrophobicContact CD2-CG1 3.85Å; L622-I634 HydrophobicContact CG-CD1 4.32Å; R630-I634 WeakPolarHBondContact O-CG1 3.49Å; R630-I634 PolarHBondContact O-N 2.91Å; L631-I634 PolarHBondContact O-N 3.44Å; I634-W638 HydrophobicContact CD1-CB 4Å; I634-W638 HydrophobicContact CD1-CG 4.14Å; I634-W638 PolarHBondContact O-N 3.41Å; I634-I639 HydrophobicContact CG2-CD1 4.02Å; I634-I639 HydrophobicContact CG2-CG1 4.1Å; I634-I639 WeakPolarHBondContact O-CG1 3.47Å; I634-I639 PolarHBondContact O-N 3.47Å; I634-F659 HydrophobicContact CB-CE1 4.47Å; I634-F659 HydrophobicContact CB-CZ 4.47Å; I634-F659 HydrophobicContact CG2-CD1 4.27Å; I634-F659 HydrophobicContact CG2-CE1 3.49Å; I634-F659 VanDerWaalsContact CG2-CE1 3.49Å; I634-F659 HydrophobicContact CG2-CE2 4.14Å; I634-F659 HydrophobicContact CG2-CZ 3.43Å; I634-F659 VanDerWaalsContact CG2-CZ 3.43Å
635T95.4Very high91.1Very high16 Ų1645 Ų4510%0.09825%0.253CS..Iπ-helixtrans-73.7-36.2-174.652.50000113.5L631 I632 H633 I639 I656 F659 K660L631-T635 HydrophobicContact CD1-CG2 4.42Å; L631-T635 WeakPolarHBondContact O-CG2 3.32Å; L631-T635 PolarHBondContact O-N 3.31Å; L631-T635 VanDerWaalsContact O-N 3.08Å; L631-T635 PolarHBondContact O-OG1 3.22Å; I632-T635 PolarHBondContact O-N 3.25Å; I632-T635 PolarHBondContact O-OG1 3.41Å; I632-T635 VanDerWaalsContact O-OG1 3.1Å; H633-T635 PolarHBondContact O-N 3.27Å; T635-I639 HydrophobicContact CG2-CD1 4.47Å; T635-I656 HydrophobicContact CG2-CG2 3.99Å; T635-I656 WeakPolarHBondContact O-CD1 3.36Å; T635-F659 HydrophobicContact CG2-CD1 3.79Å; T635-F659 HydrophobicContact CG2-CE1 3.92Å; T635-K660 HydrophobicContact CG2-CG 4.26Å
636S93Very high90.4Very high77 Ų7753.8 Ų53.854%0.53829%0.29SS..Iπ-helixtrans-90.6-29.4-176.961.40000114.2I632I632-S636 WeakPolarHBondContact O-CB 3.39Å; I632-S636 PolarHBondContact O-N 3.45Å; I632-S636 PolarHBondContact O-OG 3.36Å
637Y93.1Very high89.7Confident61 Ų6151.6 Ų51.624%0.23927%0.274CS..Iπ-helixtrans-114.4-51.2-171.5-176.1-87.7000113.2H633 R641H633-Y637 WeakPolarHBondContact CD2-CB 3.22Å; H633-Y637 AromaticContact CD2-CG 3.76Å; H633-Y637 AromaticContact CE1-CD1 3.99Å; H633-Y637 AromaticContact NE2-CD1 3.4Å; H633-Y637 WeakPolarHBondContact NE2-CD1 3.32Å; H633-Y637 AromaticContact NE2-CD2 3.96Å; H633-Y637 AromaticContact NE2-CG 3.34Å; H633-Y637 VanDerWaalsContact NE2-CG 3.34Å; H633-Y637 WeakPolarHBondContact O-CA 3.42Å; H633-Y637 WeakPolarHBondContact O-CB 3.27Å; H633-Y637 PolarHBondContact O-N 2.66Å; Y637-R641 VanDerWaalsContact CD2-CZ 3.42Å; Y637-R641 VanDerWaalsContact CG-NH1 3.33Å; Y637-R641 VanDerWaalsContact CZ-CZ 3.45Å; Y637-R641 WeakPolarHBondContact O-CD 3.34Å; Y637-R641 WeakPolarHBondContact O-CG 3.38Å; Y637-R641 PolarHBondContact O-NH1 3.08Å
638W94.9Very high89.3Confident1 Ų153.4 Ų53.40%0.00429%0.286CS..Iπ-helixtrans-82.2-48.2-169.9-75.6111.2000114W533 F536 I537 L618 H621 H633 I634 R641 L642W533-W638 HydrophobicContact CE3-CZ3 4.05Å; W533-W638 HydrophobicContact CZ3-CZ3 4.29Å; F536-W638 HydrophobicContact CD1-CH2 4.38Å; F536-W638 HydrophobicContact CE1-CH2 4.22Å; I537-W638 HydrophobicContact CD1-CH2 3.93Å; I537-W638 HydrophobicContact CD1-CZ3 3.91Å; I537-W638 HydrophobicContact CG1-CH2 3.46Å; I537-W638 VanDerWaalsContact CG1-CH2 3.46Å; I537-W638 HydrophobicContact CG1-CZ2 4.31Å; I537-W638 HydrophobicContact CG1-CZ3 3.87Å; L618-W638 HydrophobicContact CD1-CD2 3.63Å; L618-W638 HydrophobicContact CD1-CE3 4.14Å; L618-W638 HydrophobicContact CD1-CG 3.82Å; L618-W638 HydrophobicContact CD1-CZ2 4.35Å; H621-W638 AromaticContact CD2-CE2 3.74Å; H621-W638 AromaticContact CD2-CZ2 3.43Å; H621-W638 VanDerWaalsContact CD2-CZ2 3.43Å; H621-W638 WeakPolarHBondContact CD2-CZ2 3.19Å; H621-W638 AromaticContact CD2-NE1 3.5Å; H621-W638 AromaticContact CE1-CZ2 4Å; H621-W638 AromaticContact CG-CZ2 3.85Å; H621-W638 AromaticContact NE2-CE2 3.99Å; H621-W638 AromaticContact NE2-CZ2 3.54Å; H621-W638 AromaticContact NE2-NE1 3.82Å; H633-W638 AromaticContact CE1-CD1 3.77Å; H633-W638 AromaticContact CE1-NE1 3.18Å; H633-W638 PolarHBondContact CE1-NE1 2.71Å; H633-W638 AromaticContact ND1-CD1 3.69Å; H633-W638 AromaticContact ND1-NE1 3.41Å; H633-W638 PolarHBondContact ND1-NE1 3.08Å; H633-W638 AromaticContact NE2-NE1 3.95Å; H633-W638 PolarHBondContact O-N 3.38Å; I634-W638 HydrophobicContact CD1-CB 4Å; I634-W638 HydrophobicContact CD1-CG 4.14Å; I634-W638 PolarHBondContact O-N 3.41Å; W638-R641 PolarHBondContact O-N 2.91Å; W638-R641 VanDerWaalsContact O-N 3.09Å; W638-L642 HydrophobicContact CB-CD1 4.34Å; W638-L642 HydrophobicContact CE3-CG 4.42Å; W638-L642 WeakPolarHBondContact O-CB 3.42Å; W638-L642 WeakPolarHBondContact O-CG 3.5Å; W638-L642 PolarHBondContact O-N 3.09Å
639I94Very high89Confident0 Ų055.7 Ų55.70%029%0.291CS..Hα-helixtrans-54.3-48.1180-72.3175.6000111.9T510 V514 I634 T635 R641 C643 F655 I656 F659T510-I639 HydrophobicContact CG2-CG1 3.93Å; V514-I639 HydrophobicContact CG2-CB 4.49Å; V514-I639 HydrophobicContact CG2-CG1 4.18Å; V514-I639 HydrophobicContact CG2-CG2 4.29Å; I634-I639 HydrophobicContact CG2-CD1 4.02Å; I634-I639 HydrophobicContact CG2-CG1 4.1Å; I634-I639 WeakPolarHBondContact O-CG1 3.47Å; I634-I639 PolarHBondContact O-N 3.47Å; T635-I639 HydrophobicContact CG2-CD1 4.47Å; I639-R641 VanDerWaalsContact C-N 3.29Å; I639-R641 PolarHBondContact O-N 3.3Å; I639-C643 PolarHBondContact O-SG 2.82Å; I639-F655 HydrophobicContact CG2-CB 4.14Å; I639-I656 HydrophobicContact CB-CG1 4.42Å; I639-I656 HydrophobicContact CD1-CG1 4.25Å; I639-I656 HydrophobicContact CG2-CG1 3.97Å; I639-F659 HydrophobicContact CD1-CB 3.86Å; I639-F659 HydrophobicContact CD1-CD1 3.79Å; I639-F659 HydrophobicContact CD1-CD2 4.3Å; I639-F659 HydrophobicContact CD1-CE1 4.42Å; I639-F659 HydrophobicContact CD1-CG 3.71Å
640P91.5Very high88.7Confident43 Ų4356 Ų5628%0.27930%0.3SS..Hα-helixtrans-60.5-36178-24.534.6000113.8I652P640-I652 HydrophobicContact CB-CG2 4.21Å; P640-I652 HydrophobicContact CG-CG2 3.95Å
641R91.7Very high88.2Confident91 Ų9157.6 Ų57.634%0.34331%0.309SS..Hα-helixtrans-79.2-36.9-176.8-81.6179.9178.478.3-2.3113.5W533 Y637 W638 I639 C643W533-R641 VanDerWaalsContact CE2-O 3.28Å; W533-R641 HydrophobicContact CH2-CB 3.63Å; W533-R641 HydrophobicContact CH2-CG 3.79Å; W533-R641 HydrophobicContact CZ2-CB 3.59Å; W533-R641 HydrophobicContact CZ2-CG 4.12Å; W533-R641 VanDerWaalsContact CZ2-O 3.23Å; W533-R641 WeakPolarHBondContact CZ2-O 3.3Å; W533-R641 HydrophobicContact CZ3-CB 4.35Å; W533-R641 PolarHBondContact NE1-O 2.87Å; Y637-R641 VanDerWaalsContact CD2-CZ 3.42Å; Y637-R641 VanDerWaalsContact CG-NH1 3.33Å; Y637-R641 VanDerWaalsContact CZ-CZ 3.45Å; Y637-R641 WeakPolarHBondContact O-CD 3.34Å; Y637-R641 WeakPolarHBondContact O-CG 3.38Å; Y637-R641 PolarHBondContact O-NH1 3.08Å; W638-R641 PolarHBondContact O-N 2.91Å; W638-R641 VanDerWaalsContact O-N 3.09Å; I639-R641 VanDerWaalsContact C-N 3.29Å; I639-R641 PolarHBondContact O-N 3.3Å; R641-C643 PolarHBondContact O-N 2.76Å
642L91.8Very high87.8Confident2 Ų257 Ų571%0.0131%0.306CS..Hα-helixtrans-70.8-10.2179.3-69.2171.7000112.6T510 V514 N518 H529 W533 L614 L618 W638 C644T510-L642 HydrophobicContact CG2-CD1 3.83Å; V514-L642 HydrophobicContact CG1-CB 3.78Å; V514-L642 HydrophobicContact CG2-CB 4.39Å; N518-L642 PolarHBondContact ND2-O 3.42Å; H529-L642 PolarHBondContact NE2-O 3.18Å; W533-L642 HydrophobicContact CB-CD2 4.22Å; W533-L642 HydrophobicContact CD2-CD2 4.48Å; W533-L642 HydrophobicContact CG-CD2 3.99Å; L614-L642 HydrophobicContact CD1-CD2 4.2Å; L618-L642 HydrophobicContact CD2-CD1 4.26Å; W638-L642 HydrophobicContact CB-CD1 4.34Å; W638-L642 HydrophobicContact CE3-CG 4.42Å; W638-L642 WeakPolarHBondContact O-CB 3.42Å; W638-L642 WeakPolarHBondContact O-CG 3.5Å; W638-L642 PolarHBondContact O-N 3.09Å; L642-C644 PolarHBondContact O-N 3.36Å
643C88.8Confident87.6Confident11 Ų1155.3 Ų55.37%0.07430%0.301CS..  trans-66.9124.1172-66.80000111.6N518 H529 I639 R641 A645N518-C643 VanDerWaalsContact OD1-CA 3.28Å; N518-C643 WeakPolarHBondContact OD1-CA 3.39Å; H529-C643 PolarHBondContact CE1-O 2.74Å; H529-C643 VanDerWaalsContact CE1-O 3.27Å; H529-C643 PolarHBondContact NE2-O 3.4Å; I639-C643 PolarHBondContact O-SG 2.82Å; R641-C643 PolarHBondContact O-N 2.76Å; C643-A645 VanDerWaalsContact C-N 3.29Å; C643-A645 PolarHBondContact O-N 2.78Å
644C81Confident87.3Confident39 Ų3957.9 Ų57.926%0.26432%0.316SS..SBendtrans-69-22.7-174.2-172.50000114.2N518 L526 H529 L642N518-C644 PolarHBondContact OD1-N 3.46Å; L526-C644 HydrophobicContact CD1-CB 3.78Å; H529-C644 HydrophobicContact CB-CB 4.37Å; H529-C644 VanDerWaalsContact CB-SG 3.58Å; H529-C644 WeakPolarHBondContact NE2-CA 3.49Å; L642-C644 PolarHBondContact O-N 3.36Å
645A75.3Confident87Confident56 Ų5658 Ų5846%0.46332%0.316SS..SBendtrans-127.7156.2179.200000110.1C643 R647C643-A645 VanDerWaalsContact C-N 3.29Å; C643-A645 PolarHBondContact O-N 2.78Å; A645-R647 VanDerWaalsContact C-N 3.27Å; A645-R647 PolarHBondContact O-N 2.84Å
646K72.6Confident87Confident220 Ų22058.5 Ų58.596%0.95732%0.318SS*.  trans-62.191.9168.7-72.3-170.7177.9-174.60108.7
647R74.4Confident87Confident74 Ų7458.8 Ų58.828%0.27931%0.313SS..  trans-82.3147.6175.7-65.6-56.1-176.2110.9-0.7109.3F517 A645 L651 I652F517-R647 PolarHBondContact O-NH1 2.92Å; F517-R647 PolarHBondContact O-NH2 3.4Å; A645-R647 VanDerWaalsContact C-N 3.27Å; A645-R647 PolarHBondContact O-N 2.84Å; R647-L651 HydrophobicContact CB-CB 4.45Å; R647-L651 HydrophobicContact CB-CD2 3.66Å; R647-L651 HydrophobicContact CG-CD2 3.59Å; R647-I652 HydrophobicContact CB-CG1 4.26Å
648P81.2Confident87.1Confident81 Ų8157 Ų5753%0.52631%0.308SS..  trans-55.4144.2171.6-21.331.9000110.6S650 L651 I652P648-S650 PolarHBondContact O-N 3.14Å; P648-S650 VanDerWaalsContact O-N 3.13Å; P648-L651 WeakPolarHBondContact O-CB 3.3Å; P648-L651 PolarHBondContact O-N 3.38Å; P648-I652 PolarHBondContact O-N 2.96Å
649N83.2Confident87.2Confident134 Ų13457 Ų5772%0.71731%0.308SS*.Hα-helixtrans-55-34.1179.8-72.9-10.2000112.8L651 I652 T653N649-L651 VanDerWaalsContact C-N 3.3Å; N649-L651 PolarHBondContact O-N 3.3Å; N649-I652 PolarHBondContact O-N 2.82Å; N649-T653 PolarHBondContact O-N 3.49Å; N649-T653 PolarHBondContact O-OG1 3.04Å; N649-T653 VanDerWaalsContact O-OG1 3.08Å
650S85.8Confident87.2Confident80 Ų8061.1 Ų61.156%0.55933%0.326SS*.Hα-helixtrans-58.3-41.9176.157.50000112.4P648 T653 D654P648-S650 PolarHBondContact O-N 3.14Å; P648-S650 VanDerWaalsContact O-N 3.13Å; S650-T653 WeakPolarHBondContact O-CB 3.1Å; S650-T653 PolarHBondContact O-N 2.94Å; S650-D654 VanDerWaalsContact O-CG 3.32Å; S650-D654 PolarHBondContact O-N 3.38Å
651L84.1Confident87.4Confident48 Ų4865 Ų6525%0.25134%0.335SS..Hα-helixtrans-70.2-36.3-179.5-163.2106.3000111.3R647 P648 N649 T653 D654 F655R647-L651 HydrophobicContact CB-CB 4.45Å; R647-L651 HydrophobicContact CB-CD2 3.66Å; R647-L651 HydrophobicContact CG-CD2 3.59Å; P648-L651 WeakPolarHBondContact O-CB 3.3Å; P648-L651 PolarHBondContact O-N 3.38Å; N649-L651 VanDerWaalsContact C-N 3.3Å; N649-L651 PolarHBondContact O-N 3.3Å; L651-T653 VanDerWaalsContact C-N 3.32Å; L651-D654 WeakPolarHBondContact O-CB 3.45Å; L651-D654 PolarHBondContact O-N 3.33Å; L651-F655 HydrophobicContact CD1-CE1 4.45Å; L651-F655 HydrophobicContact CD2-CE1 3.59Å; L651-F655 HydrophobicContact CD2-CE2 3.91Å; L651-F655 HydrophobicContact CD2-CZ 3.12Å; L651-F655 HydrophobicContact CG-CD1 4.42Å; L651-F655 HydrophobicContact CG-CE1 3.57Å; L651-F655 HydrophobicContact CG-CZ 3.68Å; L651-F655 WeakPolarHBondContact O-CD1 3.34Å; L651-F655 WeakPolarHBondContact O-CE1 3.23Å; L651-F655 VanDerWaalsContact O-CG 3.23Å; L651-F655 WeakPolarHBondContact O-CG 3.36Å; L651-F655 PolarHBondContact O-N 3.12Å
652I87.1Confident87.6Confident24 Ų2460.7 Ų60.712%0.12332%0.318CS..Hα-helixtrans-64.3-40.5173.6-61.1174.8000110.1P640 R647 P648 N649 F655 I656P640-I652 HydrophobicContact CB-CG2 4.21Å; P640-I652 HydrophobicContact CG-CG2 3.95Å; R647-I652 HydrophobicContact CB-CG1 4.26Å; P648-I652 PolarHBondContact O-N 2.96Å; N649-I652 PolarHBondContact O-N 2.82Å; I652-F655 WeakPolarHBondContact O-CB 3.35Å; I652-F655 PolarHBondContact O-N 3.25Å; I652-I656 HydrophobicContact CG2-CD1 4.01Å; I652-I656 VanDerWaalsContact O-CG1 3.32Å; I652-I656 WeakPolarHBondContact O-CG1 3.36Å; I652-I656 PolarHBondContact O-N 2.91Å
653T90.9Very high87.8Confident73 Ų7360.6 Ų60.645%0.44832%0.318SS..Hα-helixtrans-60-45.8173.5-54.40000111.4N649 S650 L651 F655 I656 D657N649-T653 PolarHBondContact O-N 3.49Å; N649-T653 PolarHBondContact O-OG1 3.04Å; N649-T653 VanDerWaalsContact O-OG1 3.08Å; S650-T653 WeakPolarHBondContact O-CB 3.1Å; S650-T653 PolarHBondContact O-N 2.94Å; L651-T653 VanDerWaalsContact C-N 3.32Å; T653-F655 VanDerWaalsContact C-N 3.27Å; T653-F655 PolarHBondContact O-N 3.25Å; T653-I656 PolarHBondContact O-N 2.85Å; T653-I656 VanDerWaalsContact O-N 3.16Å; T653-D657 PolarHBondContact O-N 3.04Å
654D88.4Confident88Confident85 Ų8564.2 Ų64.246%0.45534%0.337SS..Hα-helixtrans-58.3-40.6176-63.6-26.6000111.7S650 L651 D657 I658S650-D654 VanDerWaalsContact O-CG 3.32Å; S650-D654 PolarHBondContact O-N 3.38Å; L651-D654 WeakPolarHBondContact O-CB 3.45Å; L651-D654 PolarHBondContact O-N 3.33Å; D654-D657 PolarHBondContact O-N 3.08Å; D654-I658 VanDerWaalsContact O-CG1 3.29Å; D654-I658 WeakPolarHBondContact O-CG1 3.48Å; D654-I658 PolarHBondContact O-N 3.19Å
655F89.7Confident88.5Confident3 Ų364.2 Ų64.21%0.01333%0.333CS..Hα-helixtrans-63.7-44.2177.5-63.2-3.8000111.8F517 I639 L651 I652 T653 D657 I658 F659F517-F655 HydrophobicContact CB-CD1 4.14Å; F517-F655 HydrophobicContact CB-CE1 3.35Å; F517-F655 HydrophobicContact CB-CE2 3.76Å; F517-F655 HydrophobicContact CB-CZ 3.1Å; F517-F655 HydrophobicContact CD1-CD1 4.12Å; F517-F655 AromaticContact CD1-CE1 3.48Å; F517-F655 HydrophobicContact CD1-CE1 3.48Å; F517-F655 VanDerWaalsContact CD1-CE1 3.48Å; F517-F655 HydrophobicContact CD1-CZ 4.14Å; F517-F655 AromaticContact CD2-CD1 3.54Å; F517-F655 HydrophobicContact CD2-CD1 3.54Å; F517-F655 AromaticContact CD2-CE1 3.58Å; F517-F655 HydrophobicContact CD2-CE1 3.58Å; F517-F655 HydrophobicContact CD2-CG 4.08Å; F517-F655 HydrophobicContact CD2-CZ 4.12Å; F517-F655 HydrophobicContact CE1-CD1 4.46Å; F517-F655 HydrophobicContact CE1-CE1 4.16Å; F517-F655 AromaticContact CE2-CD1 3.96Å; F517-F655 HydrophobicContact CE2-CD1 3.96Å; F517-F655 HydrophobicContact CE2-CE1 4.28Å; F517-F655 AromaticContact CG-CD1 3.67Å; F517-F655 HydrophobicContact CG-CD1 3.67Å; F517-F655 AromaticContact CG-CE1 3.17Å; F517-F655 HydrophobicContact CG-CE1 3.17Å; F517-F655 HydrophobicContact CG-CE2 4.34Å; F517-F655 HydrophobicContact CG-CG 4.45Å; F517-F655 AromaticContact CG-CZ 3.55Å; F517-F655 HydrophobicContact CG-CZ 3.55Å; F517-F655 HydrophobicContact CZ-CD1 4.41Å; I639-F655 HydrophobicContact CG2-CB 4.14Å; L651-F655 HydrophobicContact CD1-CE1 4.45Å; L651-F655 HydrophobicContact CD2-CE1 3.59Å; L651-F655 HydrophobicContact CD2-CE2 3.91Å; L651-F655 HydrophobicContact CD2-CZ 3.12Å; L651-F655 HydrophobicContact CG-CD1 4.42Å; L651-F655 HydrophobicContact CG-CE1 3.57Å; L651-F655 HydrophobicContact CG-CZ 3.68Å; L651-F655 WeakPolarHBondContact O-CD1 3.34Å; L651-F655 WeakPolarHBondContact O-CE1 3.23Å; L651-F655 VanDerWaalsContact O-CG 3.23Å; L651-F655 WeakPolarHBondContact O-CG 3.36Å; L651-F655 PolarHBondContact O-N 3.12Å; I652-F655 WeakPolarHBondContact O-CB 3.35Å; I652-F655 PolarHBondContact O-N 3.25Å; T653-F655 VanDerWaalsContact C-N 3.27Å; T653-F655 PolarHBondContact O-N 3.25Å; F655-D657 VanDerWaalsContact C-N 3.29Å; F655-D657 PolarHBondContact O-N 3.42Å; F655-I658 PolarHBondContact O-N 3.29Å; F655-F659 VanDerWaalsContact O-CB 3.31Å; F655-F659 WeakPolarHBondContact O-CB 3.4Å; F655-F659 PolarHBondContact O-N 3.08Å
656I94Very high89.4Confident25 Ų2561.5 Ų61.513%0.12831%0.311CS..Hα-helixtrans-61.8-40.9177.5-69.6165.2000110.1T635 I639 I652 T653 F659 K660T635-I656 HydrophobicContact CG2-CG2 3.99Å; T635-I656 WeakPolarHBondContact O-CD1 3.36Å; I639-I656 HydrophobicContact CB-CG1 4.42Å; I639-I656 HydrophobicContact CD1-CG1 4.25Å; I639-I656 HydrophobicContact CG2-CG1 3.97Å; I652-I656 HydrophobicContact CG2-CD1 4.01Å; I652-I656 VanDerWaalsContact O-CG1 3.32Å; I652-I656 WeakPolarHBondContact O-CG1 3.36Å; I652-I656 PolarHBondContact O-N 2.91Å; T653-I656 PolarHBondContact O-N 2.85Å; T653-I656 VanDerWaalsContact O-N 3.16Å; I656-F659 PolarHBondContact O-N 3.36Å; I656-K660 HydrophobicContact CG2-CD 3.94Å; I656-K660 HydrophobicContact CG2-CG 4.37Å; I656-K660 WeakPolarHBondContact O-CB 3.37Å; I656-K660 VanDerWaalsContact O-CG 3.28Å; I656-K660 WeakPolarHBondContact O-CG 3.49Å; I656-K660 PolarHBondContact O-N 3.44Å
657D94.3Very high90.3Very high83 Ų8351.9 Ų51.944%0.44427%0.271SS..Hα-helixtrans-68.5-40.2179.6-73.8-15.7000112.3T653 D654 F655 R661T653-D657 PolarHBondContact O-N 3.04Å; D654-D657 PolarHBondContact O-N 3.08Å; F655-D657 VanDerWaalsContact C-N 3.29Å; F655-D657 PolarHBondContact O-N 3.42Å; D657-R661 VanDerWaalsContact O-CB 3.3Å; D657-R661 WeakPolarHBondContact O-CB 3.34Å; D657-R661 PolarHBondContact O-N 2.88Å
658I94.6Very high91Very high25 Ų2554.2 Ų54.213%0.12829%0.288CS..Hα-helixtrans-64-44.9173.5-69171.8000110.6P470 W472 I473 V513 F517 D654 F655 R661 L662P470-I658 HydrophobicContact CG-CD1 4.34Å; P470-I658 HydrophobicContact CG-CG2 4.04Å; W472-I658 HydrophobicContact CH2-CG2 4.2Å; W472-I658 HydrophobicContact CZ2-CG2 4.43Å; I473-I658 HydrophobicContact CD1-CG2 4.18Å; V513-I658 HydrophobicContact CG1-CG2 4.2Å; F517-I658 HydrophobicContact CE1-CD1 4.36Å; F517-I658 HydrophobicContact CE2-CD1 3.97Å; F517-I658 HydrophobicContact CZ-CD1 3.43Å; F517-I658 VanDerWaalsContact CZ-CD1 3.43Å; D654-I658 VanDerWaalsContact O-CG1 3.29Å; D654-I658 WeakPolarHBondContact O-CG1 3.48Å; D654-I658 PolarHBondContact O-N 3.19Å; F655-I658 PolarHBondContact O-N 3.29Å; I658-R661 WeakPolarHBondContact O-CB 3.33Å; I658-R661 PolarHBondContact O-N 3.04Å; I658-L662 PolarHBondContact O-N 2.69Å
659F96Very high91.4Very high0 Ų050.7 Ų50.70%027%0.265CS..Hα-helixtrans-61.3-48.4176.9173.7-98.7000112.1L506 A509 T510 V513 L631 I634 T635 I639 F655 I656 R661 L662 V663L506-F659 HydrophobicContact CD2-CZ 3.84Å; A509-F659 HydrophobicContact CB-CD2 4.35Å; A509-F659 HydrophobicContact CB-CE2 3.74Å; T510-F659 WeakPolarHBondContact OG1-CE2 3.39Å; V513-F659 HydrophobicContact CG1-CB 4.23Å; V513-F659 HydrophobicContact CG2-CB 4.4Å; V513-F659 HydrophobicContact CG2-CD2 4.24Å; L631-F659 HydrophobicContact CD1-CE1 3.67Å; L631-F659 HydrophobicContact CD1-CZ 4.4Å; I634-F659 HydrophobicContact CB-CE1 4.47Å; I634-F659 HydrophobicContact CB-CZ 4.47Å; I634-F659 HydrophobicContact CG2-CD1 4.27Å; I634-F659 HydrophobicContact CG2-CE1 3.49Å; I634-F659 VanDerWaalsContact CG2-CE1 3.49Å; I634-F659 HydrophobicContact CG2-CE2 4.14Å; I634-F659 HydrophobicContact CG2-CZ 3.43Å; I634-F659 VanDerWaalsContact CG2-CZ 3.43Å; T635-F659 HydrophobicContact CG2-CD1 3.79Å; T635-F659 HydrophobicContact CG2-CE1 3.92Å; I639-F659 HydrophobicContact CD1-CB 3.86Å; I639-F659 HydrophobicContact CD1-CD1 3.79Å; I639-F659 HydrophobicContact CD1-CD2 4.3Å; I639-F659 HydrophobicContact CD1-CE1 4.42Å; I639-F659 HydrophobicContact CD1-CG 3.71Å; F655-F659 VanDerWaalsContact O-CB 3.31Å; F655-F659 WeakPolarHBondContact O-CB 3.4Å; F655-F659 PolarHBondContact O-N 3.08Å; I656-F659 PolarHBondContact O-N 3.36Å; F659-R661 VanDerWaalsContact C-N 3.29Å; F659-R661 PolarHBondContact O-N 3.08Å; F659-L662 WeakPolarHBondContact O-CB 3.44Å; F659-L662 PolarHBondContact O-N 2.94Å; F659-L662 VanDerWaalsContact O-N 3.15Å; F659-V663 HydrophobicContact CD1-CG2 4.35Å; F659-V663 HydrophobicContact CE1-CG2 3.86Å; F659-V663 HydrophobicContact CE2-CG2 4.03Å; F659-V663 HydrophobicContact CZ-CG2 3.67Å; F659-V663 WeakPolarHBondContact O-CG2 3.37Å; F659-V663 PolarHBondContact O-N 3.02Å
660K95.8Very high91.5Very high87 Ų8745 Ų4538%0.37824%0.236SC..Hα-helixtrans-59.6-41176.1-76.3173.8178.31740111.6T635 I656 V663 N664T635-K660 HydrophobicContact CG2-CG 4.26Å; I656-K660 HydrophobicContact CG2-CD 3.94Å; I656-K660 HydrophobicContact CG2-CG 4.37Å; I656-K660 WeakPolarHBondContact O-CB 3.37Å; I656-K660 VanDerWaalsContact O-CG 3.28Å; I656-K660 WeakPolarHBondContact O-CG 3.49Å; I656-K660 PolarHBondContact O-N 3.44Å; K660-V663 PolarHBondContact O-N 3.09Å; K660-N664 WeakPolarHBondContact O-CB 3.47Å; K660-N664 PolarHBondContact O-N 2.95Å; K660-N664 PolarHBondContact O-ND2 3.49Å; K660-N664 PolarHBondContact O-OD1 3.36Å
661R94.6Very high91.3Very high124 Ų12447 Ų4747%0.46824%0.236SC..Hα-helixtrans-61.2-44.7175.2-175.8-178.7-63.5-164.8-5111.6H469 I473 D657 I658 F659 N664 I665H469-R661 PolarHBondContact O-NH1 3.49Å; I473-R661 HydrophobicContact CD1-CB 4.13Å; I473-R661 HydrophobicContact CD1-CG 4.02Å; D657-R661 VanDerWaalsContact O-CB 3.3Å; D657-R661 WeakPolarHBondContact O-CB 3.34Å; D657-R661 PolarHBondContact O-N 2.88Å; I658-R661 WeakPolarHBondContact O-CB 3.33Å; I658-R661 PolarHBondContact O-N 3.04Å; F659-R661 VanDerWaalsContact C-N 3.29Å; F659-R661 PolarHBondContact O-N 3.08Å; R661-N664 PolarHBondContact O-N 3.01Å; R661-I665 HydrophobicContact CG-CD1 3.95Å; R661-I665 VanDerWaalsContact O-CG1 3.25Å; R661-I665 WeakPolarHBondContact O-CG1 3.41Å; R661-I665 PolarHBondContact O-N 3.5Å
662L96Very high90.8Very high0 Ų046.3 Ų46.30%024%0.235CC..Hα-helixtrans-58-53.8175.7174.161.3000110.5I473 L476 A477 L480 A509 V513 I658 F659 N664 I665 V666I473-L662 HydrophobicContact CD1-CB 3.97Å; I473-L662 HydrophobicContact CG1-CB 3.96Å; I473-L662 HydrophobicContact CG1-CD1 4.01Å; L476-L662 HydrophobicContact CB-CD1 4.46Å; L476-L662 HydrophobicContact CD2-CD1 4.33Å; L476-L662 HydrophobicContact CD2-CD2 3.73Å; L476-L662 HydrophobicContact CG-CD1 4.25Å; L476-L662 HydrophobicContact CG-CD2 4.39Å; A477-L662 HydrophobicContact CB-CD1 3.73Å; L480-L662 HydrophobicContact CD1-CD1 4.37Å; L480-L662 HydrophobicContact CD1-CD2 4.32Å; A509-L662 HydrophobicContact CB-CD2 3.9Å; V513-L662 HydrophobicContact CG2-CD2 3.82Å; I658-L662 PolarHBondContact O-N 2.69Å; F659-L662 WeakPolarHBondContact O-CB 3.44Å; F659-L662 PolarHBondContact O-N 2.94Å; F659-L662 VanDerWaalsContact O-N 3.15Å; L662-N664 VanDerWaalsContact C-N 3.31Å; L662-N664 PolarHBondContact O-N 3.33Å; L662-I665 PolarHBondContact O-N 2.97Å; L662-V666 HydrophobicContact CD1-CG2 4.01Å; L662-V666 HydrophobicContact CG-CG2 4.44Å; L662-V666 VanDerWaalsContact O-CG2 3.25Å; L662-V666 WeakPolarHBondContact O-CG2 3.21Å; L662-V666 PolarHBondContact O-N 2.99Å
663V95.8Very high90Very high0 Ų049 Ų490%026%0.256CS..Hα-helixtrans-54.8-47.2178.61700000111F499 E500 L506 L631 F659 K660 I665 V666 T667F499-V663 HydrophobicContact CD1-CG1 4.25Å; F499-V663 HydrophobicContact CD1-CG2 4.4Å; F499-V663 HydrophobicContact CE1-CG2 4.23Å; E500-V663 HydrophobicContact CB-CG1 3.91Å; L506-V663 HydrophobicContact CD2-CG2 4.1Å; L631-V663 HydrophobicContact CD1-CG1 4.33Å; L631-V663 HydrophobicContact CD1-CG2 4.4Å; F659-V663 HydrophobicContact CD1-CG2 4.35Å; F659-V663 HydrophobicContact CE1-CG2 3.86Å; F659-V663 HydrophobicContact CE2-CG2 4.03Å; F659-V663 HydrophobicContact CZ-CG2 3.67Å; F659-V663 WeakPolarHBondContact O-CG2 3.37Å; F659-V663 PolarHBondContact O-N 3.02Å; K660-V663 PolarHBondContact O-N 3.09Å; V663-I665 PolarHBondContact O-N 3.49Å; V663-V666 PolarHBondContact O-N 3.03Å; V663-T667 PolarHBondContact O-N 3.15Å; V663-T667 PolarHBondContact O-OG1 3.35Å; V663-T667 VanDerWaalsContact O-OG1 3.05Å
664N93.2Very high88.8Confident88 Ų8846.1 Ų46.147%0.47124%0.238SC..Hα-helixtrans-61-44.8179.6-71.6-11.1000112.5K660 R661 L662 V666 T667 L668K660-N664 WeakPolarHBondContact O-CB 3.47Å; K660-N664 PolarHBondContact O-N 2.95Å; K660-N664 PolarHBondContact O-ND2 3.49Å; K660-N664 PolarHBondContact O-OD1 3.36Å; R661-N664 PolarHBondContact O-N 3.01Å; L662-N664 VanDerWaalsContact C-N 3.31Å; L662-N664 PolarHBondContact O-N 3.33Å; N664-V666 VanDerWaalsContact C-N 3.34Å; N664-T667 PolarHBondContact O-N 3.47Å; N664-L668 VanDerWaalsContact O-CG 3.28Å; N664-L668 WeakPolarHBondContact O-CG 3.21Å; N664-L668 PolarHBondContact O-N 2.8Å
665I92.5Very high87.5Confident38 Ų3843.5 Ų43.520%0.19522%0.223CC..Hα-helixtrans-63.5-43.8177.5-64.1164.9000110A477 R661 L662 V663 L668 L669A477-I665 HydrophobicContact CB-CB 4.04Å; A477-I665 HydrophobicContact CB-CG2 3.53Å; R661-I665 HydrophobicContact CG-CD1 3.95Å; R661-I665 VanDerWaalsContact O-CG1 3.25Å; R661-I665 WeakPolarHBondContact O-CG1 3.41Å; R661-I665 PolarHBondContact O-N 3.5Å; L662-I665 PolarHBondContact O-N 2.97Å; V663-I665 PolarHBondContact O-N 3.49Å; I665-L668 PolarHBondContact O-N 3.17Å; I665-L669 HydrophobicContact CG2-CD1 3.73Å; I665-L669 HydrophobicContact CG2-CG 4.18Å; I665-L669 WeakPolarHBondContact O-CB 3.21Å; I665-L669 VanDerWaalsContact O-CG 3.29Å; I665-L669 WeakPolarHBondContact O-CG 3.36Å; I665-L669 PolarHBondContact O-N 3.07Å
666V94Very high85.5Confident0 Ų048.8 Ų48.80%025%0.251CS..Hα-helixtrans-62.5-44.6179.6177.80000111.2A477 L480 A481 F499 L662 V663 N664 L669 S670A477-V666 HydrophobicContact CB-CG2 3.93Å; L480-V666 HydrophobicContact CB-CG1 4Å; L480-V666 HydrophobicContact CB-CG2 3.83Å; L480-V666 HydrophobicContact CD1-CG2 4.24Å; A481-V666 HydrophobicContact CB-CG1 4.21Å; F499-V666 HydrophobicContact CB-CG1 3.9Å; F499-V666 HydrophobicContact CD1-CB 3.96Å; F499-V666 HydrophobicContact CD1-CG1 3.74Å; F499-V666 HydrophobicContact CD2-CB 4.43Å; F499-V666 HydrophobicContact CD2-CG1 3.34Å; F499-V666 HydrophobicContact CE1-CB 4.26Å; F499-V666 HydrophobicContact CE1-CG1 4.08Å; F499-V666 HydrophobicContact CE1-CG2 4.5Å; F499-V666 HydrophobicContact CE2-CG1 3.69Å; F499-V666 HydrophobicContact CG-CB 4.06Å; F499-V666 HydrophobicContact CG-CG1 3.37Å; F499-V666 HydrophobicContact CZ-CG1 4.05Å; L662-V666 HydrophobicContact CD1-CG2 4.01Å; L662-V666 HydrophobicContact CG-CG2 4.44Å; L662-V666 VanDerWaalsContact O-CG2 3.25Å; L662-V666 WeakPolarHBondContact O-CG2 3.21Å; L662-V666 PolarHBondContact O-N 2.99Å; V663-V666 PolarHBondContact O-N 3.03Å; N664-V666 VanDerWaalsContact C-N 3.34Å; V666-L669 PolarHBondContact O-N 3.35Å; V666-S670 VanDerWaalsContact O-CB 3.28Å; V666-S670 WeakPolarHBondContact O-CB 3.11Å; V666-S670 PolarHBondContact O-N 3.02Å; V666-S670 PolarHBondContact O-OG 3.1Å
667T91.3Very high83.2Confident18 Ų1849.7 Ų49.711%0.1126%0.256CS..Hα-helixtrans-59-50.5176.8-59.90000110.8V663 N664 L669 S670 E671V663-T667 PolarHBondContact O-N 3.15Å; V663-T667 PolarHBondContact O-OG1 3.35Å; V663-T667 VanDerWaalsContact O-OG1 3.05Å; N664-T667 PolarHBondContact O-N 3.47Å; T667-L669 VanDerWaalsContact C-N 3.35Å; T667-L669 PolarHBondContact O-N 3.49Å; T667-S670 PolarHBondContact O-N 3.27Å; T667-E671 WeakPolarHBondContact O-CG 3.19Å; T667-E671 PolarHBondContact O-N 3.36Å; T667-E671 VanDerWaalsContact O-N 3.17Å
668L89.4Confident80.4Confident122 Ų12255.3 Ų55.364%0.63928%0.277SS*.Hα-helixtrans-60.5-41.2178.9-70.3169.6000112.8N664 I665N664-L668 VanDerWaalsContact O-CG 3.28Å; N664-L668 WeakPolarHBondContact O-CG 3.21Å; N664-L668 PolarHBondContact O-N 2.8Å; I665-L668 PolarHBondContact O-N 3.17Å
669L89.2Confident77.6Confident7 Ų758.9 Ų58.94%0.03730%0.304CS..Hα-helixtrans-72.1-35.8178.4-71.1177.3000112.3I461 P462 I478 A481 I665 V666 T667 E671 S672I461-L669 HydrophobicContact CG2-CD2 4.31Å; P462-L669 HydrophobicContact CG-CD2 3.83Å; I478-L669 HydrophobicContact CG1-CD1 3.9Å; A481-L669 HydrophobicContact CB-CB 3.5Å; A481-L669 HydrophobicContact CB-CD1 4.3Å; I665-L669 HydrophobicContact CG2-CD1 3.73Å; I665-L669 HydrophobicContact CG2-CG 4.18Å; I665-L669 WeakPolarHBondContact O-CB 3.21Å; I665-L669 VanDerWaalsContact O-CG 3.29Å; I665-L669 WeakPolarHBondContact O-CG 3.36Å; I665-L669 PolarHBondContact O-N 3.07Å; V666-L669 PolarHBondContact O-N 3.35Å; T667-L669 VanDerWaalsContact C-N 3.35Å; T667-L669 PolarHBondContact O-N 3.49Å; L669-E671 VanDerWaalsContact C-N 3.27Å; L669-E671 PolarHBondContact O-N 3Å; L669-S672 PolarHBondContact O-N 3.18Å; L669-S672 VanDerWaalsContact O-N 3.15Å; L669-S672 PolarHBondContact O-OG 3.03Å
670S85.7Confident74.7Confident15 Ų1560.7 Ų60.711%0.10532%0.317CS..Hα-helixtrans-67.2-29.4178.9-59.60000112.5H484 V666 T667 S672H484-S670 WeakPolarHBondContact ND1-CB 3.38Å; H484-S670 PolarHBondContact ND1-OG 2.79Å; H484-S670 VanDerWaalsContact ND1-OG 3.16Å; V666-S670 VanDerWaalsContact O-CB 3.28Å; V666-S670 WeakPolarHBondContact O-CB 3.11Å; V666-S670 PolarHBondContact O-N 3.02Å; V666-S670 PolarHBondContact O-OG 3.1Å; T667-S670 PolarHBondContact O-N 3.27Å; S670-S672 VanDerWaalsContact C-N 3.29Å
671E80Confident71.5Confident121 Ų12161.1 Ų61.157%0.56533%0.331SS*.Hα-helixtrans-76.1-19175.1-70.6174.7-177.500112.6H498 T667 L669H498-E671 IonicContact CE1-OE1 3.32Å; H498-E671 IonicContact ND1-OE1 3.82Å; H498-E671 PolarHBondContact ND1-OE1 3.47Å; T667-E671 WeakPolarHBondContact O-CG 3.19Å; T667-E671 PolarHBondContact O-N 3.36Å; T667-E671 VanDerWaalsContact O-N 3.17Å; L669-E671 VanDerWaalsContact C-N 3.27Å; L669-E671 PolarHBondContact O-N 3Å
672S75.5Confident68.7Low34 Ų3459.1 Ų59.124%0.23833%0.327CS..SBendtrans-84144.3174.676.60000111.4L669 S670 L674L669-S672 PolarHBondContact O-N 3.18Å; L669-S672 VanDerWaalsContact O-N 3.15Å; L669-S672 PolarHBondContact O-OG 3.03Å; S670-S672 VanDerWaalsContact C-N 3.29Å; S672-L674 PolarHBondContact O-N 2.97Å
673S70.1Confident65.7Low80 Ų8063.2 Ų63.256%0.55935%0.353SS*.  trans-72.193.9169.960.80000109.4N460N460-S673 PolarHBondContact ND2-O 3.36Å
674L63.8Low62.9Low14 Ų1471.7 Ų71.77%0.07339%0.385CS..  trans-67.1137.9169.2-58.4168.9000108.4L459 I461 A481 F482 S672L459-L674 WeakPolarHBondContact O-CA 3.16Å; I461-L674 HydrophobicContact CG1-CD2 3.72Å; A481-L674 HydrophobicContact CB-CD1 4.17Å; F482-L674 HydrophobicContact CB-CD1 4.47Å; S672-L674 PolarHBondContact O-N 2.97Å
675F61.3Low60.3Low30 Ų3074.6 Ų74.613%0.13239%0.393CS..  trans84.5124.5-175.8-66-92.7000118.5N396 L397 L459 F482 L677N396-F675 HydrophobicContact CB-CD1 3.89Å; N396-F675 HydrophobicContact CB-CE1 3.31Å; N396-F675 HydrophobicContact CB-CE2 4.29Å; N396-F675 HydrophobicContact CB-CG 4.49Å; N396-F675 HydrophobicContact CB-CZ 3.52Å; L397-F675 HydrophobicContact CD2-CZ 4.23Å; L397-F675 HydrophobicContact CG-CZ 4.41Å; L459-F675 HydrophobicContact CD2-CD1 4.06Å; L459-F675 HydrophobicContact CD2-CE1 3.28Å; L459-F675 HydrophobicContact CD2-CE2 3.98Å; L459-F675 HydrophobicContact CD2-CZ 3.27Å; L459-F675 PolarHBondContact O-N 3.23Å; F482-F675 HydrophobicContact CD2-CD2 4.14Å; F482-F675 AromaticContact CD2-CE2 3.46Å; F482-F675 HydrophobicContact CD2-CE2 3.46Å; F482-F675 VanDerWaalsContact CD2-CE2 3.46Å; F482-F675 HydrophobicContact CD2-CZ 4.39Å; F482-F675 HydrophobicContact CE1-CE2 4.46Å; F482-F675 AromaticContact CE2-CD2 3.52Å; F482-F675 HydrophobicContact CE2-CD2 3.52Å; F482-F675 AromaticContact CE2-CE2 2.89Å; F482-F675 HydrophobicContact CE2-CE2 2.89Å; F482-F675 AromaticContact CE2-CZ 3.67Å; F482-F675 HydrophobicContact CE2-CZ 3.67Å; F482-F675 HydrophobicContact CG-CE2 4.46Å; F482-F675 HydrophobicContact CZ-CD2 4.31Å; F482-F675 AromaticContact CZ-CE2 3.45Å; F482-F675 HydrophobicContact CZ-CE2 3.45Å; F482-F675 VanDerWaalsContact CZ-CE2 3.45Å; F482-F675 AromaticContact CZ-CZ 3.71Å; F482-F675 HydrophobicContact CZ-CZ 3.71Å; F675-L677 HydrophobicContact CD1-CB 4.33Å; F675-L677 HydrophobicContact CD1-CD1 3.57Å; F675-L677 HydrophobicContact CD1-CG 4.06Å; F675-L677 HydrophobicContact CE1-CD1 3.86Å
676N48Very low57.8Low113 Ų11376.6 Ų76.660%0.60441%0.41SS*.  trans-92.52161.7-83.4-33.3000113.1K678N676-K678 PolarHBondContact O-N 3.11Å
677L46Very low55.2Low44 Ų4482.2 Ų82.223%0.2344%0.435CS..  trans-69.9108.8178.3-68.3170.1000107.3L399 F675 S679L399-L677 HydrophobicContact CD2-CD1 4.31Å; F675-L677 HydrophobicContact CD1-CB 4.33Å; F675-L677 HydrophobicContact CD1-CD1 3.57Å; F675-L677 HydrophobicContact CD1-CG 4.06Å; F675-L677 HydrophobicContact CE1-CD1 3.86Å; L677-S679 PolarHBondContact O-N 2.76Å
678K35.1Very low52.5Low201 Ų20189.2 Ų89.287%0.87447%0.466SS*.  trans-44.4111.9158.2-76-177.9178.3-179.90104.9N676 S680N676-K678 PolarHBondContact O-N 3.11Å; K678-S680 VanDerWaalsContact C-N 3.32Å; K678-S680 PolarHBondContact O-N 3.39Å
679S35.4Very low49.6Very low100 Ų10089.8 Ų89.870%0.69946%0.46SS*.  trans-49.6106173.754.20000105.7L677 S681L677-S679 PolarHBondContact O-N 2.76Å; S679-S681 PolarHBondContact O-N 3Å
680S35Very low46.8Very low39 Ų3993.3 Ų93.327%0.27349%0.49SS..  trans-51.6117167.947.60000103.9K678 M682K678-S680 VanDerWaalsContact C-N 3.32Å; K678-S680 PolarHBondContact O-N 3.39Å; S680-M682 PolarHBondContact O-N 3.37Å
681S30.2Very low43.9Very low96 Ų9698 Ų9867%0.67152%0.52SS*.  trans-44.198.7-170.549.30000109.7S679 T683S679-S681 PolarHBondContact O-N 3Å; S681-T683 PolarHBondContact O-N 2.96Å; S681-T683 PolarHBondContact O-OG1 3.17Å
682M34.4Very low41.4Very low81 Ų8198.2 Ų98.240%0.39953%0.525SS..  trans-69.688.5179.8-77-173.510000106.5I434 S680 R684I434-M682 HydrophobicContact CB-CE 4.33Å; I434-M682 HydrophobicContact CD1-CE 3.81Å; I434-M682 HydrophobicContact CG1-CE 3.95Å; I434-M682 HydrophobicContact CG2-CE 3.44Å; I434-M682 VanDerWaalsContact CG2-CE 3.44Å; S680-M682 PolarHBondContact O-N 3.37Å; M682-R684 PolarHBondContact O-N 3.1Å; M682-R684 VanDerWaalsContact O-N 3.17Å
683T33.5Very low38.9Very low87 Ų87102 Ų10253%0.53455%0.551SS.*  trans-81.294.1171.121.40000106.5S681 K685S681-T683 PolarHBondContact O-N 2.96Å; S681-T683 PolarHBondContact O-OG1 3.17Å; T683-K685 PolarHBondContact O-N 3.2Å
684R37.2Very low36.8Very low177 Ų177105.1 Ų105.167%0.66856%0.557SS**  trans-67.9111.7174.4-72.6-177.2-179.81731.1108.8T432 M682T432-R684 HydrophobicContact CG2-CB 4.1Å; T432-R684 HydrophobicContact CG2-CG 4.03Å; M682-R684 PolarHBondContact O-N 3.1Å; M682-R684 VanDerWaalsContact O-N 3.17Å
685K39.6Very low34.8Very low149 Ų149109.7 Ų109.765%0.64859%0.59SS**EExtended strand (participates in β ladder)trans-103.5120.1162.2-72.9-177.1-180175.50108E433 T683E433-K685 PolarHBondContact N-O 3.32Å; E433-K685 VanDerWaalsContact N-O 3.07Å; T683-K685 PolarHBondContact O-N 3.2Å
686S40Very low33.1Very low80 Ų80112.7 Ų112.756%0.55961%0.611SS**EExtended strand (participates in β ladder)trans-97.8131.1179.255.90000110.6
687K39.1Very low31.9Very low119 Ų119114.5 Ų114.552%0.51762%0.62SS.*EExtended strand (participates in β ladder)trans-116.9129.6165.5-74.8174.7-175.4148.30108.9L431 E433L431-K687 PolarHBondContact N-O 3Å; L431-K687 VanDerWaalsContact N-O 3.15Å; L431-K687 PolarHBondContact O-N 2.95Å; E433-K687 IonicContact OE1-NZ 2.74Å; E433-K687 PolarHBondContact OE1-NZ 3.17Å
688Q33.4Very low30.8Very low165 Ų165118.1 Ų118.177%0.77164%0.644SS**EExtended strand (participates in β ladder)trans-62.9142.8169.2-86.1174.9-4.200109.7M430 A690M430-Q688 HydrophobicContact CE-CG 3.81Å; M430-Q688 HydrophobicContact SD-CB 4.06Å; M430-Q688 HydrophobicContact SD-CG 3.28Å; M430-Q688 WeakPolarHBondContact SD-CG 3.42Å; Q688-A690 PolarHBondContact O-N 3.09Å
689R29.8Very low30.2Very low134 Ų134115.1 Ų115.151%0.50664%0.637SS.*  trans-52.5110.7167-178.5175.4-173.2-174.90.8107.7N429N429-R689 VanDerWaalsContact O-CB 3.22Å; N429-R689 WeakPolarHBondContact O-CB 3.36Å; N429-R689 PolarHBondContact O-N 3.28Å
690A28.5Very low29.5Very low81 Ų81115.7 Ų115.767%0.66964%0.638SS**  trans-56.4126.8160.700000105.4Q688 L692Q688-A690 PolarHBondContact O-N 3.09Å; A690-L692 PolarHBondContact O-N 3.29Å; A690-L692 VanDerWaalsContact O-N 3.12Å
691P26.2Very low29Very low113 Ų113119.7 Ų119.773%0.73466%0.661SS**  trans-51.4130172.220.4-29000106.3S693P691-S693 VanDerWaalsContact C-N 3.29Å; P691-S693 PolarHBondContact O-N 3.03Å
692L26.3Very low28.6Very low126 Ų126120.9 Ų120.966%0.6666%0.664SS**  trans-48.3109.6162.7-80.9152.9000104A690 E694A690-L692 PolarHBondContact O-N 3.29Å; A690-L692 VanDerWaalsContact O-N 3.12Å; L692-E694 PolarHBondContact O-N 2.95Å
693S23.5Very low28.1Very low113 Ų113124.7 Ų124.779%0.7969%0.686SS**  trans-70.965167.460.70000106.5P691 S695P691-S693 VanDerWaalsContact C-N 3.29Å; P691-S693 PolarHBondContact O-N 3.03Å; S693-S695 PolarHBondContact O-N 3.12Å
694E25.7Very low27.6Very low145 Ų145126 Ų12668%0.67869%0.694SS**  trans-58.6100.2139-73.8-174.8172.300103.6L692 T696L692-E694 PolarHBondContact O-N 2.95Å; E694-T696 PolarHBondContact O-N 2.96Å; E694-T696 PolarHBondContact O-OG1 3.31Å
695S22.6Very low26.8Very low110 Ų110124.3 Ų124.377%0.76970%0.698SS**  trans-65.459.3162.148.70000108.8S693 N697S693-S695 PolarHBondContact O-N 3.12Å; S695-N697 PolarHBondContact O-N 3.5Å
696T24.5Very low26Very low93 Ų93122.7 Ų122.757%0.57170%0.704SS**  trans-70.690.515335.90000105.5E694 T698E694-T696 PolarHBondContact O-N 2.96Å; E694-T696 PolarHBondContact O-OG1 3.31Å; T696-T698 PolarHBondContact O-N 3.11Å
697N22.8Very low25.1Very low151 Ų151125.6 Ų125.681%0.80771%0.713SS**  trans-58.976.8150.7-78.1-16.5000106.9S695 I699S695-N697 PolarHBondContact O-N 3.5Å; N697-I699 PolarHBondContact O-N 3.37Å
698T22.9Very low24.6Very low120 Ų120127.6 Ų127.674%0.73673%0.729SS**  trans-68.987.4163.4340000106.3T696T696-T698 PolarHBondContact O-N 3.11Å
699I22.5Very low24.1Very low138 Ų138124.4 Ų124.471%0.70873%0.725SS**  trans-57129.9154.3-61.6174.2000105.3N697 V701N697-I699 PolarHBondContact O-N 3.37Å; I699-V701 PolarHBondContact O-N 3.32Å
700P22.5Very low23.7Very low113 Ų113123.4 Ų123.473%0.73473%0.734SS**  trans-65.6104-17725.5-31.2000108.5T702P700-T702 VanDerWaalsContact C-N 3.31Å; P700-T702 PolarHBondContact O-N 2.96Å
701V23.7Very low23.5Very low123 Ų123129.9 Ų129.975%0.74575%0.748SS**  trans-72.295.6170.7-179.20000106.6I699 N703I699-V701 PolarHBondContact O-N 3.32Å; V701-N703 PolarHBondContact O-N 3.5Å
702T22.2Very low23.2Very low120 Ų120132.5 Ų132.574%0.73675%0.75SS**  trans-47.8125160.540.50000109.8P700 V704P700-T702 VanDerWaalsContact C-N 3.31Å; P700-T702 PolarHBondContact O-N 2.96Å; T702-V704 PolarHBondContact O-N 2.94Å
703N22.7Very low23Very low162 Ų162133 Ų13387%0.86675%0.754SS**  trans-12.596167.5-70.5-19.5000114.6V701V701-N703 PolarHBondContact O-N 3.5Å
704V23.2Very low22.8Very low115 Ų115134.3 Ų134.370%0.69775%0.75SS**  trans-94.1101.1158.4-179.10000106.5T702 C706T702-V704 PolarHBondContact O-N 2.94Å; V704-C706 PolarHBondContact O-N 2.81Å; V704-C706 VanDerWaalsContact O-N 3.07Å
705N21.1Very low22.4Very low140 Ų140138 Ų13875%0.74976%0.757SS**  trans-53.2104164.7-94.2-22.2000109.5
706C23.2Very low22.2Very low115 Ų115140.6 Ų140.678%0.77776%0.762SS**  trans-103.187153.2-72.70000107.1V704 D708V704-C706 PolarHBondContact O-N 2.81Å; V704-C706 VanDerWaalsContact O-N 3.07Å; C706-D708 PolarHBondContact O-N 3.27Å; C706-D708 VanDerWaalsContact O-N 3.13Å
707N21.4Very low22Very low141 Ų141141.4 Ų141.475%0.75477%0.767SS**  trans-61103157.4-80.4-24.9000107.1
708D27.3Very low21.9Very low161 Ų161139.2 Ų139.286%0.86176%0.763SS**  trans-127131.2149-92.4-34.1000108.8C706C706-D708 PolarHBondContact O-N 3.27Å; C706-D708 VanDerWaalsContact O-N 3.13Å
709S22.5Very low21.8Very low98 Ų98139.4 Ų139.469%0.68576%0.764SS**  trans-85.3166-148.949.10000113.9
710T21.7Very low21.8Very low113 Ų113140.8 Ų140.869%0.69377%0.772SS**  trans75.383.4156.856.50000118.1
711F24.4Very low21.7Very low218 Ų218139.5 Ų139.596%0.95677%0.766SS**  -151.595.6116.7-95.8-75.6000108.6
712H21Very low21.6Very low167 Ų167141.5 Ų141.577%0.77377%0.773SS**  trans-64.8129.7165.7-81.6-69.6000109.3
713N20.6Very low21.6Very low138 Ų138139.6 Ų139.674%0.73878%0.777SS**  179.2124108.3-93.8-31.2000114.5
714I19.6Very low21.4Very low139 Ų139141.5 Ų141.571%0.71378%0.777SS**  trans81.194.7140-54.5164.7000117.8
715R18Very low21.3Very low222 Ų222142.9 Ų142.984%0.83879%0.785SS**  trans-51.3129.6146.5-80.7175.3168171.2-4.5110.7
716L19.4Very low21.3Very low165 Ų165139 Ų13986%0.86478%0.778SS**  trans-113.487.5148.6-90.8160.4000108
717T18.6Very low21.2Very low110 Ų110139 Ų13968%0.67578%0.78SS**  trans-81107.8158.539.60000107.9
718S22Very low21.3Very low105 Ų105138.8 Ų138.873%0.73478%0.784SS**  trans-116.292.715861.10000108.6L720S718-L720 PolarHBondContact O-N 3.2Å
719V19.6Very low21Very low124 Ų124139.8 Ų139.875%0.75279%0.788SS**  trans-67.5115.5156.9172.80000106.6
720L23.8Very low20.9Very low168 Ų168137.9 Ų137.988%0.8878%0.783SS**  trans-125.591.9156.9-79.7173.9000107.8S718S718-L720 PolarHBondContact O-N 3.2Å
721S20.3Very low21.1Very low85 Ų85141.9 Ų141.959%0.59479%0.791SS**  trans-62.3144.1159.746.20000111.8
722D20.6Very low21.2Very low166 Ų166139.3 Ų139.389%0.88878%0.782SS**  trans50.1107.4146.7-63.7-25.6000119.6
723G22.6Very low21.5Very low80 Ų80140 Ų14083%0.82579%0.79SS**  trans-161.892166.500000112
724K18.9Very low21.9Very low201 Ų201137.2 Ų137.287%0.87478%0.775SS**  trans-58.7164.1174.1-69.7171.5170.3173.20113.3
725V21.2Very low22.3Very low144 Ų144135.6 Ų135.687%0.87377%0.772SS**  trans99.4121146.8-167.70000116.5
726G19.8Very low22.8Very low58 Ų58131.8 Ų131.860%0.59876%0.764SS**  125.9100127.600000115.7V728G726-V728 PolarHBondContact O-N 3.08Å
727S21.4Very low23.5Very low117 Ų117128.5 Ų128.582%0.81875%0.75SS**  trans-44.2114.9161.255.20000112.7
728V23.8Very low24.1Very low136 Ų136127.7 Ų127.782%0.82475%0.745SS**  trans-126.959.6157.3-169.90000107.8G726G726-V728 PolarHBondContact O-N 3.08Å
729L21.6Very low24.4Very low182 Ų182127.1 Ų127.195%0.95373%0.734SS**  trans-92.887.6163.4-107.4133.9000106.2
730G21Very low24.7Very low57 Ų57130.5 Ų130.559%0.58873%0.733SS**  trans-166.483.6-174.200000113
731K25.7Very low24.9Very low197 Ų197130 Ų13086%0.85772%0.724SS**  trans53.986.2150-60-179.8177.7-179.40116.8
732H26.1Very low25.2Very low165 Ų165131 Ų13176%0.76472%0.722SS**  trans-159.976.4141.9-93.6-68.7000108.5D734H732-D734 IonicContact ND1-OD1 3.76Å; H732-D734 PolarHBondContact O-N 3.24Å; H732-D734 VanDerWaalsContact O-N 3.12Å
733L27.1Very low25.5Very low180 Ų180126.8 Ų126.894%0.94271%0.705SS**  trans-75.985.5154.9-102.4139.2000105.2T735L733-T735 PolarHBondContact O-N 3.41Å
734D28.8Very low25.8Very low81 Ų81130 Ų13043%0.43370%0.703SS.*  trans-64124.3176.8-96.5-25000109.4H732 Q736 V737H732-D734 IonicContact ND1-OD1 3.76Å; H732-D734 PolarHBondContact O-N 3.24Å; H732-D734 VanDerWaalsContact O-N 3.12Å; D734-Q736 HydrophobicContact CB-CB 4.46Å; D734-Q736 PolarHBondContact O-N 3.48Å; D734-V737 PolarHBondContact O-N 2.88Å; D734-V737 VanDerWaalsContact O-N 3.12Å
735T29.1Very low26.3Very low104 Ų104126.7 Ų126.764%0.63869%0.694SS**THydrogen-bonded Turntrans-46.1-17.8169.620.60000113.9L733 V737 V738 D739L733-T735 PolarHBondContact O-N 3.41Å; T735-V737 VanDerWaalsContact C-N 3.27Å; T735-V737 PolarHBondContact O-N 3.09Å; T735-V738 PolarHBondContact O-N 3.22Å; T735-D739 PolarHBondContact O-N 2.9Å; T735-D739 VanDerWaalsContact O-N 3.15Å
736Q28.1Very low26.6Very low142 Ų142125.3 Ų125.366%0.66469%0.686SS**Hα-helixtrans-63.1-25.1175.6-66-1722.300114.6D734 R740D734-Q736 HydrophobicContact CB-CB 4.46Å; D734-Q736 PolarHBondContact O-N 3.48Å; Q736-R740 PolarHBondContact O-N 3.13Å
737V32.6Very low26.9Very low96 Ų96131.3 Ų131.358%0.58270%0.699SS**Hα-helixtrans-74.9-33.6176.6-179.50000111.3D734 T735 F741D734-V737 PolarHBondContact O-N 2.88Å; D734-V737 VanDerWaalsContact O-N 3.12Å; T735-V737 VanDerWaalsContact C-N 3.27Å; T735-V737 PolarHBondContact O-N 3.09Å; V737-F741 PolarHBondContact O-N 3.03Å
738V31.5Very low27.3Very low93 Ų93139.1 Ų139.156%0.56472%0.718SS**Hα-helixtrans-75.1-38.6177.9-179.40000110.7T735 R740 F741 L742T735-V738 PolarHBondContact O-N 3.22Å; V738-R740 PolarHBondContact O-N 3.05Å; V738-F741 PolarHBondContact O-N 2.94Å; V738-L742 HydrophobicContact CG1-CD1 4.43Å; V738-L742 PolarHBondContact O-N 2.87Å
739D28.3Very low27.5Very low94 Ų94139.3 Ų139.350%0.50371%0.713SS.*Hα-helixtrans-70.5-31.8179.6-72.3-23.4000112.9T735 L742 C743T735-D739 PolarHBondContact O-N 2.9Å; T735-D739 VanDerWaalsContact O-N 3.15Å; D739-L742 PolarHBondContact O-N 2.88Å; D739-C743 PolarHBondContact O-N 3.41Å; D739-C743 PolarHBondContact O-SG 3.41Å
740R27.1Very low27.8Very low194 Ų194137 Ų13773%0.73270%0.7SS**Hα-helixtrans-68.7-37174.3-109.8-178.7178.2172.7-0.1113Q736 V738 L742 C743 D744Q736-R740 PolarHBondContact O-N 3.13Å; V738-R740 PolarHBondContact O-N 3.05Å; R740-L742 PolarHBondContact O-N 3.47Å; R740-C743 PolarHBondContact O-N 3.04Å; R740-D744 PolarHBondContact O-N 3.37Å
741F27.7Very low28.1Very low157 Ų157141.4 Ų141.469%0.68971%0.706SS**Hα-helixtrans-66.7-26.6175.1-101.2-82.2000113V737 V738V737-F741 PolarHBondContact O-N 3.03Å; V738-F741 PolarHBondContact O-N 2.94Å
742L26.8Very low28.3Very low108 Ų108138.2 Ų138.257%0.56570%0.697SS**Hα-helixtrans-82.8-28.2174.5-77.5163.8000113.1V738 D739 R740 L745V738-L742 HydrophobicContact CG1-CD1 4.43Å; V738-L742 PolarHBondContact O-N 2.87Å; D739-L742 PolarHBondContact O-N 2.88Å; R740-L742 PolarHBondContact O-N 3.47Å; L742-L745 PolarHBondContact O-N 2.86Å
743C27.3Very low28.4Very low77 Ų77136.5 Ų136.552%0.5269%0.693SS.*Hα-helixtrans-71.1-35.2-179.6-70.80000113.3D739 R740 L745 T746D739-C743 PolarHBondContact O-N 3.41Å; D739-C743 PolarHBondContact O-SG 3.41Å; R740-C743 PolarHBondContact O-N 3.04Å; C743-L745 PolarHBondContact O-N 2.83Å; C743-L745 VanDerWaalsContact O-N 3.14Å; C743-T746 PolarHBondContact O-N 3.27Å; C743-T746 PolarHBondContact O-OG1 3Å
744D27.7Very low28.5Very low148 Ų148133.6 Ų133.679%0.79168%0.677SS**THydrogen-bonded Turntrans-71.7-6.2179.3-75.7-11.2000113.8R740R740-D744 PolarHBondContact O-N 3.37Å
745L29.4Very low28.5Very low131 Ų131137.4 Ų137.469%0.68669%0.694SS**THydrogen-bonded Turntrans-88.71.1173.4-89.1157.7000114L742 C743L742-L745 PolarHBondContact O-N 2.86Å; C743-L745 PolarHBondContact O-N 2.83Å; C743-L745 VanDerWaalsContact O-N 3.14Å
746T27.8Very low28.4Very low115 Ų115139.9 Ų139.971%0.70670%0.698SS**SBendtrans-124.77.1-176.150.20000117.3C743C743-T746 PolarHBondContact O-N 3.27Å; C743-T746 PolarHBondContact O-OG1 3Å
747E25.1Very low28.5Very low183 Ų183139.8 Ų139.886%0.85570%0.701SS**  trans-107.288.4167-76.1-165.7153.700112.7
748K30.4Very low28.1Very low281 Ų281143.7 Ų143.7100%1.22271%0.712SS**  trans47.90152.1-77-178.7176.1173.90120.4

Retrieved 748 of 748 residues in 893.9 ms (Link to these results)

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