A0A024RAW7_HUMAN Loading...

Fatty acyl-CoA reductase

Catalyzes the reduction of fatty acyl-CoA to fatty alcohols.

AlphaFold DB (Q96K12), UniProt , Accession A0A024RAW7, Species HUMAN (Homo sapiens, Human), Gene HEL-S-81, Length 515 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M82.3Confident96.1Very high204 Ų20445.5 Ų45.5100%1.00529%0.289SS*.  0139.30-175.6-179.5-78.900107
2S95.2Very high96.3Very high8 Ų841.8 Ų41.86%0.05627%0.266CS..  trans-70.6131.7178.4156.40000111.1I4 A5 A6 D417 F421S2-I4 PolarHBondContact OG-N 3.37Å; S2-A5 WeakPolarHBondContact OG-CB 3.45Å; S2-A5 PolarHBondContact OG-N 3.07Å; S2-A5 VanDerWaalsContact OG-N 3.08Å; S2-A6 PolarHBondContact O-N 3.01Å; S2-D417 WeakPolarHBondContact CA-OD1 3.18Å; S2-D417 VanDerWaalsContact CB-OD1 3.25Å; S2-D417 WeakPolarHBondContact CB-OD1 3.33Å; S2-D417 PolarHBondContact OG-OD1 3.5Å; S2-F421 VanDerWaalsContact OG-CE2 3.28Å; S2-F421 WeakPolarHBondContact OG-CE2 3.49Å
3T96.9Very high96.5Very high71 Ų7138.5 Ų38.544%0.43625%0.245SC..Hα-helixtrans-71.6-39.8179.4-46.60000111A6 F7 W290 D417T3-A6 PolarHBondContact O-N 2.64Å; T3-F7 WeakPolarHBondContact O-CB 3.36Å; T3-F7 PolarHBondContact O-N 2.89Å; T3-W290 HydrophobicContact CG2-CZ2 4.31Å; T3-D417 WeakPolarHBondContact CB-OD2 3.15Å; T3-D417 PolarHBondContact N-OD1 2.91Å; T3-D417 PolarHBondContact N-OD2 2.97Å; T3-D417 PolarHBondContact OG1-OD2 2.94Å
4I98.1Very high96.7Very high0 Ų035.8 Ų35.80%023%0.228CC..Hα-helixtrans-64-44.8177.4-63.9169.6000110S2 A6 F7 Y8 L286 A287 W290 L413 D417 F421S2-I4 PolarHBondContact OG-N 3.37Å; I4-A6 VanDerWaalsContact C-N 3.34Å; I4-A6 PolarHBondContact O-N 3.43Å; I4-F7 WeakPolarHBondContact O-CB 3.35Å; I4-F7 PolarHBondContact O-N 3.47Å; I4-Y8 HydrophobicContact CG2-CD2 4.19Å; I4-Y8 HydrophobicContact CG2-CE2 3.86Å; I4-Y8 VanDerWaalsContact O-CD2 3.29Å; I4-Y8 WeakPolarHBondContact O-CD2 3.36Å; I4-Y8 PolarHBondContact O-N 3.07Å; I4-L286 HydrophobicContact CG2-CB 4.25Å; I4-A287 HydrophobicContact CD1-CB 3.84Å; I4-W290 HydrophobicContact CG1-CB 4.07Å; I4-W290 HydrophobicContact CG1-CD2 3.92Å; I4-W290 HydrophobicContact CG1-CE3 4.09Å; I4-W290 HydrophobicContact CG1-CG 3.92Å; I4-W290 HydrophobicContact CG2-CB 4.3Å; I4-L413 HydrophobicContact CD1-CD1 4.25Å; I4-L413 HydrophobicContact CD1-CD2 3.8Å; I4-D417 HydrophobicContact CD1-CB 4.05Å; I4-D417 HydrophobicContact CG1-CB 4.48Å; I4-D417 PolarHBondContact N-OD1 3.16Å; I4-D417 VanDerWaalsContact N-OD1 3.11Å; I4-F421 HydrophobicContact CB-CD2 3.77Å; I4-F421 HydrophobicContact CB-CE2 3.55Å; I4-F421 HydrophobicContact CB-CG 4.5Å; I4-F421 HydrophobicContact CB-CZ 4.11Å; I4-F421 HydrophobicContact CD1-CB 4.21Å; I4-F421 HydrophobicContact CD1-CD2 3.8Å; I4-F421 HydrophobicContact CD1-CE2 4.48Å; I4-F421 HydrophobicContact CD1-CG 4.08Å; I4-F421 HydrophobicContact CG1-CD2 4.36Å; I4-F421 HydrophobicContact CG2-CD1 4.27Å; I4-F421 HydrophobicContact CG2-CD2 3.9Å; I4-F421 HydrophobicContact CG2-CE1 4.01Å; I4-F421 HydrophobicContact CG2-CE2 3.61Å; I4-F421 HydrophobicContact CG2-CG 4.22Å; I4-F421 HydrophobicContact CG2-CZ 3.66Å
5A97.3Very high96.8Very high17 Ų1733.4 Ų33.414%0.1421%0.212CC..Hα-helixtrans-61.5-43.5178.800000111.7S2 S34 F421S2-A5 WeakPolarHBondContact OG-CB 3.45Å; S2-A5 PolarHBondContact OG-N 3.07Å; S2-A5 VanDerWaalsContact OG-N 3.08Å; A5-S34 WeakPolarHBondContact CA-OG 3.44Å; A5-S34 WeakPolarHBondContact O-CB 3.36Å; A5-S34 PolarHBondContact O-OG 3.21Å; A5-F421 HydrophobicContact CB-CE2 4.21Å; A5-F421 HydrophobicContact CB-CZ 4.23Å
6A97.7Very high96.8Very high56 Ų5631.3 Ų31.346%0.46320%0.199SC..Hα-helixtrans-65.3-36.8176.500000112.5S2 T3 I4 Y8 G9S2-A6 PolarHBondContact O-N 3.01Å; T3-A6 PolarHBondContact O-N 2.64Å; I4-A6 VanDerWaalsContact C-N 3.34Å; I4-A6 PolarHBondContact O-N 3.43Å; A6-Y8 VanDerWaalsContact C-N 3.33Å; A6-Y8 PolarHBondContact O-N 2.99Å; A6-G9 PolarHBondContact O-N 2.97Å
7F98.3Very high96.7Very high25 Ų2530.7 Ų30.711%0.1120%0.2CC..Hα-helixtrans-58.8-40.2179163.1-101.4000113.4T3 I4 G9 K11 I107 W290 A293 V294T3-F7 WeakPolarHBondContact O-CB 3.36Å; T3-F7 PolarHBondContact O-N 2.89Å; I4-F7 WeakPolarHBondContact O-CB 3.35Å; I4-F7 PolarHBondContact O-N 3.47Å; F7-G9 PolarHBondContact O-N 3.26Å; F7-K11 VanDerWaalsContact O-CE 3.25Å; F7-K11 WeakPolarHBondContact O-CE 3.34Å; F7-K11 WeakPolarHBondContact O-CG 3.48Å; F7-I107 HydrophobicContact CE1-CD1 4.13Å; F7-I107 HydrophobicContact CE1-CG1 4.47Å; F7-I107 HydrophobicContact CZ-CD1 3.71Å; F7-I107 HydrophobicContact CZ-CG1 4.39Å; F7-W290 HydrophobicContact CB-CG 4.48Å; F7-W290 HydrophobicContact CD1-CB 3.84Å; F7-W290 HydrophobicContact CD1-CG 4.39Å; F7-W290 HydrophobicContact CE1-CB 4.21Å; F7-W290 HydrophobicContact CG-CB 4.28Å; F7-W290 AromaticContact CG-CD1 3.6Å; F7-W290 HydrophobicContact CG-CG 4.35Å; F7-A293 HydrophobicContact CE1-CB 4.35Å; F7-A293 HydrophobicContact CE2-CB 3.62Å; F7-A293 HydrophobicContact CZ-CB 3.31Å; F7-V294 HydrophobicContact CD2-CG2 4.33Å; F7-V294 HydrophobicContact CE2-CG2 4.44Å
8Y98.4Very high96.6Very high0 Ų029 Ų290%019%0.189CC..THydrogen-bonded Turntrans-75.9-11177-72-70.3000113.5I4 A6 G10 K11 I13 L30 L37 I107 F109 L286 G289I4-Y8 HydrophobicContact CG2-CD2 4.19Å; I4-Y8 HydrophobicContact CG2-CE2 3.86Å; I4-Y8 VanDerWaalsContact O-CD2 3.29Å; I4-Y8 WeakPolarHBondContact O-CD2 3.36Å; I4-Y8 PolarHBondContact O-N 3.07Å; A6-Y8 VanDerWaalsContact C-N 3.33Å; A6-Y8 PolarHBondContact O-N 2.99Å; Y8-G10 PolarHBondContact O-N 2.97Å; Y8-K11 PolarHBondContact O-N 3.41Å; Y8-I13 HydrophobicContact CD1-CD1 3.63Å; Y8-I13 HydrophobicContact CD1-CG1 4.45Å; Y8-I13 HydrophobicContact CE1-CD1 4.19Å; Y8-I13 HydrophobicContact CG-CD1 4.48Å; Y8-L30 HydrophobicContact CD1-CD2 3.91Å; Y8-L30 HydrophobicContact CD2-CD2 4.13Å; Y8-L30 HydrophobicContact CE1-CD2 4.25Å; Y8-L30 HydrophobicContact CE2-CD2 4.48Å; Y8-L30 HydrophobicContact CG-CD2 3.85Å; Y8-L37 WeakPolarHBondContact O-CB 3.31Å; Y8-I107 HydrophobicContact CE1-CG1 4.25Å; Y8-I107 HydrophobicContact CE1-CG2 4.4Å; Y8-F109 HydrophobicContact CE1-CE2 4.18Å; Y8-F109 HydrophobicContact CE1-CZ 4.27Å; Y8-F109 WeakPolarHBondContact OH-CZ 3.43Å; Y8-L286 HydrophobicContact CD2-CD2 4.45Å; Y8-L286 HydrophobicContact CE1-CD2 4.42Å; Y8-L286 HydrophobicContact CE2-CB 3.96Å; Y8-L286 HydrophobicContact CE2-CD2 3.76Å; Y8-L286 HydrophobicContact CE2-CG 4.42Å; Y8-L286 PolarHBondContact OH-O 3.24Å; Y8-L286 VanDerWaalsContact OH-O 3.05Å; Y8-G289 WeakPolarHBondContact OH-CA 3.47Å
9G96.9Very high96.5Very high27 Ų2729.4 Ų29.428%0.27819%0.191SC..THydrogen-bonded Turntrans-58.5133.5172.800000111.6A6 F7 K11A6-G9 PolarHBondContact O-N 2.97Å; F7-G9 PolarHBondContact O-N 3.26Å; G9-K11 PolarHBondContact O-N 3.17Å; G9-K11 VanDerWaalsContact O-N 3.07Å
10G97.4Very high96.3Very high49 Ų4929.4 Ų29.451%0.50520%0.197SC..THydrogen-bonded Turntrans68.7-1.2-179.100000116.1Y8 D36 K38Y8-G10 PolarHBondContact O-N 2.97Å; G10-D36 PolarHBondContact N-O 3.47Å; G10-K38 WeakPolarHBondContact O-CB 3.25Å
11K98.5Very high96.3Very high43 Ų4329.4 Ų29.419%0.18719%0.193CC..  trans-83.7147.4-179.8-57.1-62.6-178.2173.50112.1F7 Y8 G9 I13 K38 N106 E146F7-K11 VanDerWaalsContact O-CE 3.25Å; F7-K11 WeakPolarHBondContact O-CE 3.34Å; F7-K11 WeakPolarHBondContact O-CG 3.48Å; Y8-K11 PolarHBondContact O-N 3.41Å; G9-K11 PolarHBondContact O-N 3.17Å; G9-K11 VanDerWaalsContact O-N 3.07Å; K11-I13 HydrophobicContact CB-CG1 4.5Å; K11-K38 WeakPolarHBondContact O-CB 3.37Å; K11-K38 PolarHBondContact O-N 2.91Å; K11-N106 HydrophobicContact CB-CB 4.17Å; K11-N106 HydrophobicContact CD-CB 3.94Å; K11-E146 IonicContact NZ-OE1 3.81Å; K11-E146 PolarHBondContact NZ-OE1 3.06Å; K11-E146 IonicContact NZ-OE2 3.32Å; K11-E146 PolarHBondContact NZ-OE2 3.33Å
12S98.7Very high97Very high1 Ų121 Ų211%0.00715%0.152CC..EExtended strand (participates in β ladder)trans-96.9126165.9-69.90000110.2V39 C104 N106 I107S12-V39 WeakPolarHBondContact CA-O 3.41Å; S12-V39 VanDerWaalsContact OG-CG1 3.25Å; S12-V39 WeakPolarHBondContact OG-CG1 3.25Å; S12-C104 VanDerWaalsContact CB-O 3.26Å; S12-C104 WeakPolarHBondContact CB-O 3.4Å; S12-N106 PolarHBondContact N-OD1 2.92Å; S12-N106 WeakPolarHBondContact O-CB 3.28Å; S12-N106 PolarHBondContact O-N 2.95Å; S12-I107 PolarHBondContact O-N 3.01Å
13I98.8Very high97.1Very high0 Ų020.6 Ų20.60%015%0.15CC..EExtended strand (participates in β ladder)trans-119.6130.5-172.1-54.2172.8000109.6Y8 K11 I15 L30 V39 I40 Y41 I107 F109Y8-I13 HydrophobicContact CD1-CD1 3.63Å; Y8-I13 HydrophobicContact CD1-CG1 4.45Å; Y8-I13 HydrophobicContact CE1-CD1 4.19Å; Y8-I13 HydrophobicContact CG-CD1 4.48Å; K11-I13 HydrophobicContact CB-CG1 4.5Å; I13-I15 HydrophobicContact CG2-CD1 4.43Å; I13-I15 HydrophobicContact CG2-CG1 3.95Å; I13-L30 HydrophobicContact CD1-CD1 3.84Å; I13-L30 HydrophobicContact CD1-CD2 3.68Å; I13-L30 HydrophobicContact CD1-CG 4.37Å; I13-L30 HydrophobicContact CG2-CD1 4.46Å; I13-V39 PolarHBondContact N-O 3.2Å; I13-I40 HydrophobicContact CB-CG1 4.47Å; I13-I40 CarbonylContact O-C 3.49Å; I13-I40 VanDerWaalsContact O-CA 3.3Å; I13-I40 WeakPolarHBondContact O-CA 3.36Å; I13-Y41 PolarHBondContact O-N 3Å; I13-I107 CarbonylContact C-O 3.47Å; I13-I107 WeakPolarHBondContact CA-O 3.45Å; I13-I107 HydrophobicContact CG1-CB 4.4Å; I13-I107 HydrophobicContact CG2-CB 4.4Å; I13-F109 HydrophobicContact CG2-CD2 3.68Å; I13-F109 HydrophobicContact CG2-CE2 3.96Å
14L98.7Very high97.1Very high0 Ų019 Ų190%014%0.137CC..EExtended strand (participates in β ladder)trans-100.6123.7171.5173.863.2000110.1Y41 L43 L101 T105 I107 I108 F109 L135 M138 M142L14-Y41 WeakPolarHBondContact CA-O 3.26Å; L14-L43 HydrophobicContact CD1-CD1 4.43Å; L14-L43 HydrophobicContact CD1-CD2 3.82Å; L14-L43 HydrophobicContact CD1-CG 3.82Å; L14-L101 HydrophobicContact CD1-CD2 3.91Å; L14-L101 HydrophobicContact CD2-CD2 4.37Å; L14-T105 HydrophobicContact CB-CG2 3.75Å; L14-I107 PolarHBondContact N-O 3.32Å; L14-I108 HydrophobicContact CB-CG1 4.14Å; L14-I108 HydrophobicContact CD2-CD1 4.3Å; L14-I108 HydrophobicContact CD2-CG1 4.17Å; L14-I108 CarbonylContact O-C 3.57Å; L14-I108 WeakPolarHBondContact O-CA 3.32Å; L14-F109 PolarHBondContact O-N 2.92Å; L14-L135 HydrophobicContact CD2-CD1 4.32Å; L14-M138 HydrophobicContact CD2-CE 3.65Å; L14-M142 HydrophobicContact CD2-CE 4.4Å
15I98.5Very high97.1Very high0 Ų019.1 Ų19.10%014%0.138CC..EExtended strand (participates in β ladder)trans-118.5115.5177.1-54.6175.6000109.4I13 A18 L26 M27 L30 I40 Y41 F109I13-I15 HydrophobicContact CG2-CD1 4.43Å; I13-I15 HydrophobicContact CG2-CG1 3.95Å; I15-A18 HydrophobicContact CB-CB 4.15Å; I15-A18 HydrophobicContact CG2-CB 3.87Å; I15-L26 HydrophobicContact CD1-CD2 3.73Å; I15-L26 HydrophobicContact CD1-CG 4.09Å; I15-L26 HydrophobicContact CG1-CD2 4.1Å; I15-L26 HydrophobicContact CG2-CD2 4.07Å; I15-M27 HydrophobicContact CD1-CG 3.69Å; I15-L30 HydrophobicContact CD1-CD1 4Å; I15-I40 HydrophobicContact CD1-CD1 4.27Å; I15-I40 HydrophobicContact CD1-CG2 3.58Å; I15-I40 HydrophobicContact CG1-CG2 3.94Å; I15-Y41 PolarHBondContact N-O 2.98Å; I15-F109 WeakPolarHBondContact CA-O 3.23Å; I15-F109 HydrophobicContact CG1-CB 4.34Å; I15-F109 HydrophobicContact CG1-CD2 4.44Å
16T97.2Very high97.2Very high0 Ų018.3 Ų18.30%013%0.131CC..EExtended strand (participates in β ladder)trans-84.6145.7165.783.10000109.4A18 L43 F109 H110 C111 A112 L135T16-A18 PolarHBondContact O-N 2.51Å; T16-L43 HydrophobicContact CG2-CD1 3.92Å; T16-L43 HydrophobicContact CG2-CG 4.49Å; T16-F109 PolarHBondContact N-O 3.48Å; T16-H110 WeakPolarHBondContact OG1-CA 3.22Å; T16-H110 PolarHBondContact OG1-CE1 3.28Å; T16-H110 PolarHBondContact OG1-ND1 2.87Å; T16-C111 VanDerWaalsContact O-CB 3.25Å; T16-C111 WeakPolarHBondContact O-CB 3.47Å; T16-C111 PolarHBondContact O-N 3.07Å; T16-C111 PolarHBondContact OG1-N 3.34Å; T16-A112 PolarHBondContact O-N 2.99Å; T16-A112 WeakPolarHBondContact OG1-CB 3.49Å; T16-A112 PolarHBondContact OG1-N 3.33Å; T16-L135 HydrophobicContact CG2-CD1 4.45Å; T16-L135 HydrophobicContact CG2-CD2 3.68Å
17G95.1Very high97.2Very high21 Ų2115.7 Ų15.722%0.21611%0.109CC..THydrogen-bonded Turntrans72.115.2-178.500000113.7T19 G20G17-T19 PolarHBondContact O-N 2.71Å; G17-G20 PolarHBondContact O-N 3.12Å
18A95.6Very high97.2Very high0 Ų014.6 Ų14.60%010%0.104CC..THydrogen-bonded Turntrans-52.2-29.6177.300000114.1I15 T16 G20 G23 K24 M27 I42I15-A18 HydrophobicContact CB-CB 4.15Å; I15-A18 HydrophobicContact CG2-CB 3.87Å; T16-A18 PolarHBondContact O-N 2.51Å; A18-G20 VanDerWaalsContact C-N 3.28Å; A18-G20 PolarHBondContact O-N 3.11Å; A18-G23 CarbonylContact O-C 3.59Å; A18-K24 WeakPolarHBondContact O-CG 3.29Å; A18-K24 PolarHBondContact O-N 2.94Å; A18-M27 HydrophobicContact CB-SD 3.79Å; A18-I42 HydrophobicContact CB-CB 3.68Å; A18-I42 HydrophobicContact CB-CG2 3.4Å
19T93Very high97.2Very high36 Ų3614.7 Ų14.722%0.22111%0.105CC..THydrogen-bonded Turntrans-80.9-6.3178.670.80000113.9G17 K24 V44 R55 I59G17-T19 PolarHBondContact O-N 2.71Å; T19-K24 WeakPolarHBondContact O-CE 3.4Å; T19-V44 HydrophobicContact CG2-CG1 4.35Å; T19-V44 HydrophobicContact CG2-CG2 3.93Å; T19-R55 PolarHBondContact OG1-NH2 3.12Å; T19-I59 HydrophobicContact CG2-CD1 3.96Å
20G93.6Very high97.2Very high30 Ų3013.4 Ų13.431%0.3099%0.091SC..SBendtrans-89.9178.717700000112.9G17 A18 G23 K24G17-G20 PolarHBondContact O-N 3.12Å; A18-G20 VanDerWaalsContact C-N 3.28Å; A18-G20 PolarHBondContact O-N 3.11Å; G20-G23 PolarHBondContact O-N 3.17Å; G20-K24 VanDerWaalsContact O-CG 3.28Å; G20-K24 WeakPolarHBondContact O-CG 3.42Å; G20-K24 PolarHBondContact O-N 3.08Å
21F95.4Very high97.3Very high29 Ų2911 Ų1113%0.1277%0.067CC..Hα-helixtrans-57.1-59.8-174.6179.3-136.5000113.1G23 K24 V25 V232 G233 W243 V244 D245 N246 V278F21-G23 PolarHBondContact O-N 3.23Å; F21-K24 PolarHBondContact O-N 3.48Å; F21-V25 PolarHBondContact O-N 3.17Å; F21-V232 HydrophobicContact CD1-CG1 4.36Å; F21-V232 HydrophobicContact CE1-CG1 3.86Å; F21-G233 WeakPolarHBondContact CE1-O 3.39Å; F21-G233 VanDerWaalsContact CZ-O 3.24Å; F21-G233 WeakPolarHBondContact CZ-O 3.29Å; F21-W243 HydrophobicContact CD2-CE3 4.33Å; F21-W243 HydrophobicContact CD2-CH2 4.13Å; F21-W243 AromaticContact CD2-CZ3 3.52Å; F21-W243 HydrophobicContact CD2-CZ3 3.52Å; F21-W243 AromaticContact CE2-CE3 3.73Å; F21-W243 HydrophobicContact CE2-CE3 3.73Å; F21-W243 HydrophobicContact CE2-CH2 4.34Å; F21-W243 AromaticContact CE2-CZ3 3.38Å; F21-W243 HydrophobicContact CE2-CZ3 3.38Å; F21-V244 HydrophobicContact CE2-CG1 4.43Å; F21-V244 HydrophobicContact CZ-CG1 4.1Å; F21-D245 WeakPolarHBondContact CB-OD1 3.46Å; F21-D245 WeakPolarHBondContact CD2-OD1 3.45Å; F21-N246 VanDerWaalsContact CB-ND2 3.27Å; F21-N246 WeakPolarHBondContact CB-ND2 3.43Å; F21-N246 WeakPolarHBondContact CG-ND2 3.44Å; F21-V278 HydrophobicContact CD1-CG2 4.42Å; F21-V278 HydrophobicContact CE1-CB 3.97Å; F21-V278 HydrophobicContact CE1-CG1 4.37Å; F21-V278 HydrophobicContact CE1-CG2 4.01Å; F21-V278 HydrophobicContact CE2-CG1 4.2Å; F21-V278 HydrophobicContact CZ-CB 3.82Å; F21-V278 HydrophobicContact CZ-CG1 3.7Å; F21-V278 HydrophobicContact CZ-CG2 4.06Å
22L97.1Very high97.2Very high27 Ų2711 Ų1114%0.1417%0.066CC..Hα-helixtrans-62.8-42.8-179.4-17764.7000112.1K24 V25 L26 I151 V278 V281 V282 M285L22-K24 VanDerWaalsContact C-N 3.33Å; L22-K24 PolarHBondContact O-N 2.71Å; L22-V25 PolarHBondContact O-N 3.24Å; L22-L26 WeakPolarHBondContact O-CB 3.49Å; L22-L26 PolarHBondContact O-N 2.92Å; L22-I151 HydrophobicContact CD2-CG1 4.37Å; L22-I151 HydrophobicContact CD2-CG2 3.81Å; L22-V278 HydrophobicContact CD1-CG2 3.73Å; L22-V281 HydrophobicContact CD1-CB 4.29Å; L22-V281 HydrophobicContact CD1-CG1 3.88Å; L22-V282 HydrophobicContact CD1-CG2 3.73Å; L22-M285 HydrophobicContact CD1-SD 3.94Å; L22-M285 HydrophobicContact CD2-CE 4.43Å; L22-M285 HydrophobicContact CD2-SD 3.93Å; L22-M285 HydrophobicContact CG-SD 4.08Å
23G97.3Very high97.1Very high1 Ų112.2 Ų12.21%0.017%0.073CC..Hα-helixtrans-61.3-37.4-179.100000113.6A18 G20 F21 L26 M27A18-G23 CarbonylContact O-C 3.59Å; G20-G23 PolarHBondContact O-N 3.17Å; F21-G23 PolarHBondContact O-N 3.23Å; G23-L26 PolarHBondContact O-N 3.45Å; G23-M27 WeakPolarHBondContact O-CG 3.36Å; G23-M27 PolarHBondContact O-N 3.39Å
24K97.4Very high97Very high38 Ų3812.3 Ų12.317%0.1657%0.074CC..Hα-helixtrans-66.3-43.5175.4-72.9176.2-166168.90112.4A18 T19 G20 F21 L22 L26 M27 E28 I59 L64 F65 W243 D245A18-K24 WeakPolarHBondContact O-CG 3.29Å; A18-K24 PolarHBondContact O-N 2.94Å; T19-K24 WeakPolarHBondContact O-CE 3.4Å; G20-K24 VanDerWaalsContact O-CG 3.28Å; G20-K24 WeakPolarHBondContact O-CG 3.42Å; G20-K24 PolarHBondContact O-N 3.08Å; F21-K24 PolarHBondContact O-N 3.48Å; L22-K24 VanDerWaalsContact C-N 3.33Å; L22-K24 PolarHBondContact O-N 2.71Å; K24-L26 VanDerWaalsContact C-N 3.33Å; K24-M27 PolarHBondContact O-N 3.4Å; K24-E28 WeakPolarHBondContact O-CB 3.49Å; K24-E28 PolarHBondContact O-N 2.73Å; K24-I59 HydrophobicContact CG-CG2 4.19Å; K24-L64 HydrophobicContact CB-CD2 3.77Å; K24-F65 HydrophobicContact CB-CE2 4.46Å; K24-W243 HydrophobicContact CB-CH2 4.42Å; K24-W243 HydrophobicContact CD-CH2 4.34Å; K24-D245 IonicContact NZ-OD2 2.85Å; K24-D245 PolarHBondContact NZ-OD2 2.89Å
25V98.2Very high96.8Very high2 Ų214.1 Ų14.11%0.0129%0.086CC..Hα-helixtrans-67.7-37.8178.8-173.70000110.5F21 L22 E28 K29 L64 W243 V278 V282F21-V25 PolarHBondContact O-N 3.17Å; L22-V25 PolarHBondContact O-N 3.24Å; V25-E28 PolarHBondContact O-N 2.85Å; V25-K29 WeakPolarHBondContact O-CB 3.46Å; V25-K29 PolarHBondContact O-N 2.85Å; V25-L64 HydrophobicContact CG2-CD2 4.32Å; V25-W243 HydrophobicContact CG2-CE3 3.88Å; V25-W243 HydrophobicContact CG2-CH2 4.39Å; V25-W243 HydrophobicContact CG2-CZ3 3.41Å; V25-W243 VanDerWaalsContact CG2-CZ3 3.41Å; V25-V278 HydrophobicContact CB-CG2 4.13Å; V25-V278 HydrophobicContact CG1-CG1 4.31Å; V25-V278 HydrophobicContact CG1-CG2 4.39Å; V25-V278 HydrophobicContact CG2-CG1 3.97Å; V25-V278 HydrophobicContact CG2-CG2 3.91Å; V25-V282 HydrophobicContact CB-CG2 3.98Å; V25-V282 HydrophobicContact CG1-CB 4.38Å; V25-V282 HydrophobicContact CG1-CG2 3.85Å
26L98.7Very high96.6Very high0 Ų020.1 Ų20.10%012%0.118CC..Hα-helixtrans-58.5-49.5172.2176.465.2000111.9I15 L22 G23 K24 K29 L30 F109 V282 M285 L286I15-L26 HydrophobicContact CD1-CD2 3.73Å; I15-L26 HydrophobicContact CD1-CG 4.09Å; I15-L26 HydrophobicContact CG1-CD2 4.1Å; I15-L26 HydrophobicContact CG2-CD2 4.07Å; L22-L26 WeakPolarHBondContact O-CB 3.49Å; L22-L26 PolarHBondContact O-N 2.92Å; G23-L26 PolarHBondContact O-N 3.45Å; K24-L26 VanDerWaalsContact C-N 3.33Å; L26-K29 PolarHBondContact O-N 2.68Å; L26-L30 HydrophobicContact CD1-CD1 4.09Å; L26-L30 HydrophobicContact CD1-CG 4.35Å; L26-L30 HydrophobicContact CG-CD1 4Å; L26-L30 WeakPolarHBondContact O-CB 3.19Å; L26-L30 WeakPolarHBondContact O-CG 3.48Å; L26-L30 PolarHBondContact O-N 3.21Å; L26-F109 HydrophobicContact CD2-CB 3.68Å; L26-F109 HydrophobicContact CD2-CD1 4.16Å; L26-F109 HydrophobicContact CD2-CD2 3.89Å; L26-F109 HydrophobicContact CD2-CG 3.65Å; L26-V282 HydrophobicContact CB-CG1 4.47Å; L26-V282 HydrophobicContact CB-CG2 4.26Å; L26-V282 HydrophobicContact CD1-CG1 4.13Å; L26-M285 HydrophobicContact CB-CE 4.44Å; L26-M285 HydrophobicContact CD1-CE 4Å; L26-M285 HydrophobicContact CD2-CE 3.63Å; L26-M285 HydrophobicContact CG-CE 4.23Å; L26-L286 HydrophobicContact CD1-CD2 3.64Å; L26-L286 HydrophobicContact CD1-CG 4.09Å
27M98Very high96.7Very high1 Ų120.1 Ų20.11%0.00512%0.118CC..Hα-helixtrans-61.3-45.2177.3-75176.863.100112I15 A18 G23 K24 K29 L30 F31 I40 I42 F65 I79I15-M27 HydrophobicContact CD1-CG 3.69Å; A18-M27 HydrophobicContact CB-SD 3.79Å; G23-M27 WeakPolarHBondContact O-CG 3.36Å; G23-M27 PolarHBondContact O-N 3.39Å; K24-M27 PolarHBondContact O-N 3.4Å; M27-K29 VanDerWaalsContact C-N 3.34Å; M27-K29 PolarHBondContact O-N 3.19Å; M27-L30 PolarHBondContact O-N 3.27Å; M27-F31 HydrophobicContact CE-CE2 4.14Å; M27-F31 WeakPolarHBondContact O-CD2 3.39Å; M27-F31 PolarHBondContact O-N 3.33Å; M27-I40 HydrophobicContact CG-CD1 4.36Å; M27-I40 HydrophobicContact CG-CG2 4.44Å; M27-I42 HydrophobicContact CE-CG2 4.21Å; M27-I42 HydrophobicContact SD-CG2 3.87Å; M27-F65 HydrophobicContact CB-CE1 4.16Å; M27-F65 HydrophobicContact CB-CZ 4Å; M27-I79 HydrophobicContact CE-CD1 3.58Å; M27-I79 HydrophobicContact CE-CG1 4.02Å; M27-I79 HydrophobicContact CE-CG2 4.42Å
28E98Very high96.8Very high1 Ų124.9 Ų24.91%0.00513%0.133CC..Hα-helixtrans-54.1-53.4176.3-174.4-70.1139.400110.6K24 V25 L30 F31 R32 L64 F65 V68 P239K24-E28 WeakPolarHBondContact O-CB 3.49Å; K24-E28 PolarHBondContact O-N 2.73Å; V25-E28 PolarHBondContact O-N 2.85Å; E28-L30 PolarHBondContact O-N 2.91Å; E28-F31 PolarHBondContact O-N 3.42Å; E28-R32 VanDerWaalsContact O-CB 3.3Å; E28-R32 WeakPolarHBondContact O-CB 3.2Å; E28-R32 PolarHBondContact O-N 2.9Å; E28-R32 VanDerWaalsContact OE1-CD 3.22Å; E28-R32 WeakPolarHBondContact OE1-CD 3.48Å; E28-R32 IonicContact OE1-CZ 2.68Å; E28-R32 IonicContact OE1-NE 2.78Å; E28-R32 PolarHBondContact OE1-NE 3.41Å; E28-R32 IonicContact OE1-NH2 3Å; E28-R32 IonicContact OE2-CZ 2.68Å; E28-R32 IonicContact OE2-NE 3.59Å; E28-R32 PolarHBondContact OE2-NE 3.38Å; E28-R32 IonicContact OE2-NH2 3.99Å; E28-R32 PolarHBondContact OE2-NH2 3.46Å; E28-R32 VanDerWaalsContact OE2-NH2 3.17Å; E28-L64 HydrophobicContact CB-CD1 4.35Å; E28-L64 HydrophobicContact CB-CD2 4.11Å; E28-L64 HydrophobicContact CB-CG 3.95Å; E28-L64 HydrophobicContact CG-CD1 4Å; E28-L64 HydrophobicContact CG-CG 3.8Å; E28-L64 VanDerWaalsContact CG-O 3.26Å; E28-L64 WeakPolarHBondContact CG-O 3.37Å; E28-F65 HydrophobicContact CB-CE1 4.29Å; E28-F65 HydrophobicContact CB-CZ 4.35Å; E28-V68 HydrophobicContact CB-CG2 4.39Å; E28-V68 HydrophobicContact CG-CG2 3.79Å; E28-V68 WeakPolarHBondContact O-CG2 3.39Å; E28-P239 HydrophobicContact CG-CG 4.08Å
29K98.3Very high96.9Very high2 Ų225.7 Ų25.71%0.00914%0.137CC..Hα-helixtrans-60.9-47.8-177.9-177.967.5177.8-174.30111.4V25 L26 M27 F31 R32 T33 E238 V282 N283 L286 V420 F421V25-K29 WeakPolarHBondContact O-CB 3.46Å; V25-K29 PolarHBondContact O-N 2.85Å; L26-K29 PolarHBondContact O-N 2.68Å; M27-K29 VanDerWaalsContact C-N 3.34Å; M27-K29 PolarHBondContact O-N 3.19Å; K29-F31 PolarHBondContact O-N 2.83Å; K29-R32 PolarHBondContact O-N 3.46Å; K29-T33 HydrophobicContact CD-CG2 3.85Å; K29-T33 VanDerWaalsContact CE-CG2 3.48Å; K29-T33 PolarHBondContact O-N 3.22Å; K29-T33 PolarHBondContact O-OG1 3.42Å; K29-E238 IonicContact NZ-OE1 3.65Å; K29-E238 PolarHBondContact NZ-OE1 3.03Å; K29-E238 IonicContact NZ-OE2 3.39Å; K29-E238 PolarHBondContact NZ-OE2 2.68Å; K29-V282 HydrophobicContact CB-CG1 3.57Å; K29-V282 HydrophobicContact CG-CG1 3.85Å; K29-N283 WeakPolarHBondContact CE-OD1 3.25Å; K29-N283 PolarHBondContact NZ-OD1 3.29Å; K29-L286 HydrophobicContact CB-CD1 4.15Å; K29-L286 HydrophobicContact CG-CD1 3.4Å; K29-L286 VanDerWaalsContact CG-CD1 3.4Å; K29-V420 PolarHBondContact NZ-O 2.72Å; K29-F421 HydrophobicContact CG-CE1 4.49Å
30L98.4Very high97.2Very high0 Ų024 Ų240%013%0.127CC..Hα-helixtrans-55-51.5177.9-82.6167.7000112.1Y8 I13 I15 L26 M27 E28 R32 S34 L37 I40 L286Y8-L30 HydrophobicContact CD1-CD2 3.91Å; Y8-L30 HydrophobicContact CD2-CD2 4.13Å; Y8-L30 HydrophobicContact CE1-CD2 4.25Å; Y8-L30 HydrophobicContact CE2-CD2 4.48Å; Y8-L30 HydrophobicContact CG-CD2 3.85Å; I13-L30 HydrophobicContact CD1-CD1 3.84Å; I13-L30 HydrophobicContact CD1-CD2 3.68Å; I13-L30 HydrophobicContact CD1-CG 4.37Å; I13-L30 HydrophobicContact CG2-CD1 4.46Å; I15-L30 HydrophobicContact CD1-CD1 4Å; L26-L30 HydrophobicContact CD1-CD1 4.09Å; L26-L30 HydrophobicContact CD1-CG 4.35Å; L26-L30 HydrophobicContact CG-CD1 4Å; L26-L30 WeakPolarHBondContact O-CB 3.19Å; L26-L30 WeakPolarHBondContact O-CG 3.48Å; L26-L30 PolarHBondContact O-N 3.21Å; M27-L30 PolarHBondContact O-N 3.27Å; E28-L30 PolarHBondContact O-N 2.91Å; L30-R32 VanDerWaalsContact C-N 3.35Å; L30-R32 PolarHBondContact O-N 3.48Å; L30-S34 CarbonylContact O-C 3.46Å; L30-S34 WeakPolarHBondContact O-CA 3.38Å; L30-S34 WeakPolarHBondContact O-CB 3.41Å; L30-S34 PolarHBondContact O-N 3.32Å; L30-L37 HydrophobicContact CB-CD2 4Å; L30-I40 HydrophobicContact CB-CD1 4.09Å; L30-I40 HydrophobicContact CD1-CD1 3.88Å; L30-L286 HydrophobicContact CD1-CD2 4.38Å; L30-L286 HydrophobicContact CD2-CD1 4.4Å; L30-L286 HydrophobicContact CD2-CD2 3.44Å; L30-L286 VanDerWaalsContact CD2-CD2 3.44Å; L30-L286 HydrophobicContact CG-CD1 4.45Å; L30-L286 HydrophobicContact CG-CD2 3.78Å
31F97.9Very high97.4Very high0 Ų022.7 Ų22.70%011%0.113CC..Hα-helixtrans-68.6-33.9-179.7-74.3-60.6000113M27 E28 K29 L37 I40 V68 V75 K78 I79M27-F31 HydrophobicContact CE-CE2 4.14Å; M27-F31 WeakPolarHBondContact O-CD2 3.39Å; M27-F31 PolarHBondContact O-N 3.33Å; E28-F31 PolarHBondContact O-N 3.42Å; K29-F31 PolarHBondContact O-N 2.83Å; F31-L37 HydrophobicContact CD1-CD1 4.21Å; F31-L37 HydrophobicContact CD1-CD2 3.75Å; F31-L37 HydrophobicContact CD1-CG 4.12Å; F31-L37 HydrophobicContact CE1-CD1 3.64Å; F31-L37 HydrophobicContact CE1-CD2 3.96Å; F31-L37 HydrophobicContact CE1-CG 4.08Å; F31-L37 HydrophobicContact CG-CD2 4.4Å; F31-L37 HydrophobicContact CZ-CD1 4.4Å; F31-I40 HydrophobicContact CD2-CD1 4.13Å; F31-I40 HydrophobicContact CE1-CD1 4.18Å; F31-I40 HydrophobicContact CE1-CG1 4.25Å; F31-I40 HydrophobicContact CE2-CD1 3.56Å; F31-I40 HydrophobicContact CE2-CG1 4.2Å; F31-I40 HydrophobicContact CZ-CB 4.12Å; F31-I40 HydrophobicContact CZ-CD1 3.58Å; F31-I40 HydrophobicContact CZ-CG1 3.72Å; F31-V68 HydrophobicContact CB-CG1 3.5Å; F31-V68 HydrophobicContact CB-CG2 4.26Å; F31-V68 HydrophobicContact CG-CG1 4.23Å; F31-V75 HydrophobicContact CB-CG2 4.41Å; F31-V75 HydrophobicContact CD1-CG2 3.91Å; F31-V75 HydrophobicContact CD2-CG2 3.63Å; F31-V75 HydrophobicContact CE1-CG2 4.01Å; F31-V75 HydrophobicContact CE2-CG2 3.73Å; F31-V75 HydrophobicContact CG-CG2 3.74Å; F31-V75 HydrophobicContact CZ-CG2 3.94Å; F31-K78 HydrophobicContact CE1-CB 3.64Å; F31-K78 HydrophobicContact CE1-CD 4.36Å; F31-K78 HydrophobicContact CZ-CB 4.16Å; F31-I79 HydrophobicContact CE2-CD1 3.8Å; F31-I79 HydrophobicContact CE2-CG1 3.67Å; F31-I79 HydrophobicContact CZ-CD1 4.12Å; F31-I79 HydrophobicContact CZ-CG1 3.51Å
32R97Very high97.5Very high42 Ų4221.4 Ų21.416%0.15811%0.107CC..Hα-helixtrans-71.9-38.2179.1-179.8169.551.885.90.3112.6E28 K29 L30 V68 E238E28-R32 VanDerWaalsContact O-CB 3.3Å; E28-R32 WeakPolarHBondContact O-CB 3.2Å; E28-R32 PolarHBondContact O-N 2.9Å; E28-R32 VanDerWaalsContact OE1-CD 3.22Å; E28-R32 WeakPolarHBondContact OE1-CD 3.48Å; E28-R32 IonicContact OE1-CZ 2.68Å; E28-R32 IonicContact OE1-NE 2.78Å; E28-R32 PolarHBondContact OE1-NE 3.41Å; E28-R32 IonicContact OE1-NH2 3Å; E28-R32 IonicContact OE2-CZ 2.68Å; E28-R32 IonicContact OE2-NE 3.59Å; E28-R32 PolarHBondContact OE2-NE 3.38Å; E28-R32 IonicContact OE2-NH2 3.99Å; E28-R32 PolarHBondContact OE2-NH2 3.46Å; E28-R32 VanDerWaalsContact OE2-NH2 3.17Å; K29-R32 PolarHBondContact O-N 3.46Å; L30-R32 VanDerWaalsContact C-N 3.35Å; L30-R32 PolarHBondContact O-N 3.48Å; R32-V68 HydrophobicContact CB-CG2 4.18Å; R32-E238 IonicContact CZ-OE1 3.42Å; R32-E238 IonicContact CZ-OE2 2.85Å; R32-E238 VanDerWaalsContact NH1-CD 3.34Å; R32-E238 IonicContact NH1-OE1 2.65Å; R32-E238 PolarHBondContact NH1-OE1 3.32Å; R32-E238 IonicContact NH1-OE2 3.6Å; R32-E238 VanDerWaalsContact NH2-CD 3.31Å; R32-E238 IonicContact NH2-OE1 3.67Å; R32-E238 IonicContact NH2-OE2 3.62Å; R32-E238 PolarHBondContact NH2-OE2 3.27Å
33T97Very high97.4Very high26 Ų2620.7 Ų20.716%0.1610%0.103CC..Hα-helixtrans-93.5-27.7-177.958.70000114K29 P35 V420 F421K29-T33 HydrophobicContact CD-CG2 3.85Å; K29-T33 VanDerWaalsContact CE-CG2 3.48Å; K29-T33 PolarHBondContact O-N 3.22Å; K29-T33 PolarHBondContact O-OG1 3.42Å; T33-P35 VanDerWaalsContact C-CD 3.43Å; T33-P35 WeakPolarHBondContact O-CD 3.46Å; T33-V420 HydrophobicContact CG2-CG1 4.01Å; T33-F421 HydrophobicContact CG2-CE1 4.34Å; T33-F421 HydrophobicContact CG2-CZ 4.17Å
34S96.8Very high97.1Very high3 Ų320.7 Ų20.72%0.02110%0.103CC..  trans-128.263.7-175.3-56.80000110.1A5 L30 D36 L37A5-S34 WeakPolarHBondContact CA-OG 3.44Å; A5-S34 WeakPolarHBondContact O-CB 3.36Å; A5-S34 PolarHBondContact O-OG 3.21Å; L30-S34 CarbonylContact O-C 3.46Å; L30-S34 WeakPolarHBondContact O-CA 3.38Å; L30-S34 WeakPolarHBondContact O-CB 3.41Å; L30-S34 PolarHBondContact O-N 3.32Å; S34-D36 PolarHBondContact O-N 2.75Å; S34-D36 VanDerWaalsContact O-N 3.07Å; S34-L37 WeakPolarHBondContact O-CB 3.48Å; S34-L37 WeakPolarHBondContact O-CD2 3.47Å; S34-L37 WeakPolarHBondContact O-CG 3.42Å; S34-L37 PolarHBondContact O-N 2.82Å
35P94.2Very high96.6Very high37 Ų3723.5 Ų23.524%0.2411%0.113CC..THydrogen-bonded Turntrans-59.9-22.8-178.125.7-35.1000112.5T33 L37 V71 C72 K78T33-P35 VanDerWaalsContact C-CD 3.43Å; T33-P35 WeakPolarHBondContact O-CD 3.46Å; P35-L37 VanDerWaalsContact C-N 3.28Å; P35-L37 PolarHBondContact O-N 3.05Å; P35-V71 HydrophobicContact CB-CG1 4.26Å; P35-V71 HydrophobicContact CG-CG1 4.26Å; P35-C72 HydrophobicContact CB-CB 4.36Å; P35-K78 PolarHBondContact O-NZ 3.03Å
36D95.4Very high95.7Very high127 Ų12727.1 Ų27.168%0.67914%0.136SC*.THydrogen-bonded Turntrans-81.93.1176.9-60.9-35.8000114.3G10 S34G10-D36 PolarHBondContact N-O 3.47Å; S34-D36 PolarHBondContact O-N 2.75Å; S34-D36 VanDerWaalsContact O-N 3.07Å
37L97.3Very high94.8Very high0 Ų033.8 Ų33.80%017%0.165CC..  trans-55.8148.2170.576.781.8000110.1Y8 L30 F31 S34 P35 I40 K78Y8-L37 WeakPolarHBondContact O-CB 3.31Å; L30-L37 HydrophobicContact CB-CD2 4Å; F31-L37 HydrophobicContact CD1-CD1 4.21Å; F31-L37 HydrophobicContact CD1-CD2 3.75Å; F31-L37 HydrophobicContact CD1-CG 4.12Å; F31-L37 HydrophobicContact CE1-CD1 3.64Å; F31-L37 HydrophobicContact CE1-CD2 3.96Å; F31-L37 HydrophobicContact CE1-CG 4.08Å; F31-L37 HydrophobicContact CG-CD2 4.4Å; F31-L37 HydrophobicContact CZ-CD1 4.4Å; S34-L37 WeakPolarHBondContact O-CB 3.48Å; S34-L37 WeakPolarHBondContact O-CD2 3.47Å; S34-L37 WeakPolarHBondContact O-CG 3.42Å; S34-L37 PolarHBondContact O-N 2.82Å; P35-L37 VanDerWaalsContact C-N 3.28Å; P35-L37 PolarHBondContact O-N 3.05Å; L37-I40 HydrophobicContact CD1-CD1 4.5Å; L37-I40 HydrophobicContact CD1-CG1 3.82Å; L37-I40 HydrophobicContact CD2-CD1 4.11Å; L37-I40 HydrophobicContact CD2-CG1 4.27Å; L37-K78 PolarHBondContact O-NZ 3.25Å
38K97.8Very high94Very high121 Ų12138.6 Ų38.653%0.52621%0.206SC..  trans-77.4-59.4-172.8-179.1177.9174-174.60111.5G10 K11G10-K38 WeakPolarHBondContact O-CB 3.25Å; K11-K38 WeakPolarHBondContact O-CB 3.37Å; K11-K38 PolarHBondContact O-N 2.91Å
39V98.4Very high93.3Very high16 Ų1642.4 Ų42.410%0.09725%0.245CC..EExtended strand (participates in β ladder)trans-158.7144.1-178.461.20000110.4S12 I13 Y41 K78 R80S12-V39 WeakPolarHBondContact CA-O 3.41Å; S12-V39 VanDerWaalsContact OG-CG1 3.25Å; S12-V39 WeakPolarHBondContact OG-CG1 3.25Å; I13-V39 PolarHBondContact N-O 3.2Å; V39-Y41 HydrophobicContact CG1-CD2 4.32Å; V39-Y41 HydrophobicContact CG1-CE1 4.29Å; V39-Y41 HydrophobicContact CG1-CE2 3.68Å; V39-Y41 HydrophobicContact CG2-CE1 4.35Å; V39-K78 CarbonylContact C-O 3.52Å; V39-K78 WeakPolarHBondContact CA-O 3.3Å; V39-R80 HydrophobicContact CG2-CB 3.79Å
40I98.6Very high92.7Very high0 Ų045.2 Ų45.20%026%0.258CS..EExtended strand (participates in β ladder)trans-104.7114.4164.8-57.8-170.7000108.7I13 I15 M27 L30 F31 L37 I42 K78 I79 R80I13-I40 HydrophobicContact CB-CG1 4.47Å; I13-I40 CarbonylContact O-C 3.49Å; I13-I40 VanDerWaalsContact O-CA 3.3Å; I13-I40 WeakPolarHBondContact O-CA 3.36Å; I15-I40 HydrophobicContact CD1-CD1 4.27Å; I15-I40 HydrophobicContact CD1-CG2 3.58Å; I15-I40 HydrophobicContact CG1-CG2 3.94Å; M27-I40 HydrophobicContact CG-CD1 4.36Å; M27-I40 HydrophobicContact CG-CG2 4.44Å; L30-I40 HydrophobicContact CB-CD1 4.09Å; L30-I40 HydrophobicContact CD1-CD1 3.88Å; F31-I40 HydrophobicContact CD2-CD1 4.13Å; F31-I40 HydrophobicContact CE1-CD1 4.18Å; F31-I40 HydrophobicContact CE1-CG1 4.25Å; F31-I40 HydrophobicContact CE2-CD1 3.56Å; F31-I40 HydrophobicContact CE2-CG1 4.2Å; F31-I40 HydrophobicContact CZ-CB 4.12Å; F31-I40 HydrophobicContact CZ-CD1 3.58Å; F31-I40 HydrophobicContact CZ-CG1 3.72Å; L37-I40 HydrophobicContact CD1-CD1 4.5Å; L37-I40 HydrophobicContact CD1-CG1 3.82Å; L37-I40 HydrophobicContact CD2-CD1 4.11Å; L37-I40 HydrophobicContact CD2-CG1 4.27Å; I40-I42 HydrophobicContact CG2-CG2 3.79Å; I40-K78 PolarHBondContact N-O 2.93Å; I40-I79 WeakPolarHBondContact O-CA 3.43Å; I40-R80 PolarHBondContact O-N 3.38Å
41Y98.4Very high92.2Very high4 Ų448.8 Ų48.82%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-78.1126.9166.6-60.6-70.9000109.6I13 L14 I15 V39 R80 I82 E100 L101 C104I13-Y41 PolarHBondContact O-N 3Å; L14-Y41 WeakPolarHBondContact CA-O 3.26Å; I15-Y41 PolarHBondContact N-O 2.98Å; V39-Y41 HydrophobicContact CG1-CD2 4.32Å; V39-Y41 HydrophobicContact CG1-CE1 4.29Å; V39-Y41 HydrophobicContact CG1-CE2 3.68Å; V39-Y41 HydrophobicContact CG2-CE1 4.35Å; Y41-R80 WeakPolarHBondContact CA-O 3.16Å; Y41-R80 HydrophobicContact CD1-CB 3.64Å; Y41-R80 HydrophobicContact CD1-CG 3.71Å; Y41-R80 HydrophobicContact CE1-CB 3.89Å; Y41-R80 HydrophobicContact CE1-CG 3.79Å; Y41-I82 HydrophobicContact CD1-CD1 3.71Å; Y41-I82 HydrophobicContact CE1-CD1 4.42Å; Y41-I82 HydrophobicContact CG-CD1 4.4Å; Y41-E100 HydrophobicContact CE1-CG 4.12Å; Y41-E100 WeakPolarHBondContact CE1-OE1 3.24Å; Y41-E100 PolarHBondContact OH-OE1 3.33Å; Y41-L101 HydrophobicContact CD1-CD2 3.96Å; Y41-L101 HydrophobicContact CD2-CD2 3.9Å; Y41-L101 HydrophobicContact CG-CD2 3.59Å; Y41-C104 HydrophobicContact CE2-CB 4.22Å
42I97.4Very high91.9Very high1 Ų150.7 Ų50.71%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-120.4127175.962.7171000110.4A18 M27 I40 V44 V56 I79 R80 A81 I82A18-I42 HydrophobicContact CB-CB 3.68Å; A18-I42 HydrophobicContact CB-CG2 3.4Å; M27-I42 HydrophobicContact CE-CG2 4.21Å; M27-I42 HydrophobicContact SD-CG2 3.87Å; I40-I42 HydrophobicContact CG2-CG2 3.79Å; I42-V44 HydrophobicContact CB-CG2 4.19Å; I42-V44 HydrophobicContact CD1-CG2 3.77Å; I42-V44 HydrophobicContact CG1-CG2 3.71Å; I42-V56 HydrophobicContact CD1-CG2 3.87Å; I42-I79 HydrophobicContact CD1-CG2 3.68Å; I42-I79 HydrophobicContact CG1-CG2 3.97Å; I42-R80 PolarHBondContact N-O 3.47Å; I42-A81 HydrophobicContact CD1-CB 4.23Å; I42-A81 HydrophobicContact CG1-CB 3.93Å; I42-I82 PolarHBondContact O-N 3.36Å
43L95Very high91.4Very high12 Ų1254 Ų546%0.06331%0.307CS..EExtended strand (participates in β ladder)trans-83.1117.9175.3-61.6-165.6000109.8L14 T16 I82 A84 L86 I93 L101L14-L43 HydrophobicContact CD1-CD1 4.43Å; L14-L43 HydrophobicContact CD1-CD2 3.82Å; L14-L43 HydrophobicContact CD1-CG 3.82Å; T16-L43 HydrophobicContact CG2-CD1 3.92Å; T16-L43 HydrophobicContact CG2-CG 4.49Å; L43-I82 HydrophobicContact CD2-CB 4.18Å; L43-I82 HydrophobicContact CD2-CG2 4.23Å; L43-A84 HydrophobicContact CB-CB 3.89Å; L43-A84 HydrophobicContact CD1-CB 4.15Å; L43-A84 HydrophobicContact CD2-CB 3.98Å; L43-A84 HydrophobicContact CG-CB 4.2Å; L43-L86 HydrophobicContact CD1-CD2 4.37Å; L43-I93 HydrophobicContact CD2-CD1 4.33Å; L43-L101 HydrophobicContact CD2-CD1 4.27Å
44V91.8Very high91.2Very high2 Ų257.6 Ų57.61%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-134.3132.9-168.7-178.60000110.7T19 I42 L52 R55 A81 I82 Y83 A84T19-V44 HydrophobicContact CG2-CG1 4.35Å; T19-V44 HydrophobicContact CG2-CG2 3.93Å; I42-V44 HydrophobicContact CB-CG2 4.19Å; I42-V44 HydrophobicContact CD1-CG2 3.77Å; I42-V44 HydrophobicContact CG1-CG2 3.71Å; V44-L52 HydrophobicContact CB-CD2 3.93Å; V44-L52 HydrophobicContact CG1-CD2 3.7Å; V44-R55 HydrophobicContact CG1-CB 4.3Å; V44-A81 HydrophobicContact CG2-CB 4.41Å; V44-I82 PolarHBondContact N-O 3.4Å; V44-Y83 WeakPolarHBondContact O-CA 3.42Å; V44-A84 PolarHBondContact O-N 3.04Å
45R87Confident90.8Very high97 Ų9759.1 Ų59.137%0.36633%0.327SS..  trans-93.4147.1167.8-66.5-172.4-70.3-168.6-0.4111.8R55 A84 D85 N87R45-R55 WeakPolarHBondContact O-CD 3.16Å; R45-R55 PolarHBondContact O-NH1 3.27Å; R45-A84 WeakPolarHBondContact CG-O 3.39Å; R45-D85 WeakPolarHBondContact CD-OD1 3.31Å; R45-D85 HydrophobicContact CG-CB 4.28Å; R45-D85 IonicContact CZ-OD1 3.66Å; R45-D85 IonicContact NE-OD1 3.82Å; R45-D85 IonicContact NH1-OD1 3.72Å; R45-D85 PolarHBondContact NH1-OD1 3.49Å; R45-N87 PolarHBondContact NH1-ND2 3.45Å
46P78.3Confident90.8Very high77 Ų7757.6 Ų57.650%0.532%0.317SS..  trans-57.4142.5163.4-21.933.6000110.1Y83P46-Y83 HydrophobicContact CG-CD2 3.88Å; P46-Y83 HydrophobicContact CG-CE2 3.62Å
47K80.4Confident90.6Very high140 Ų14058.2 Ų58.261%0.60931%0.314SS*.BIsolated β-bridgetrans-147.2132.7176.2-171.8176.1-178.8178.80109.4G49 Q50K47-G49 PolarHBondContact O-N 3.1Å; K47-Q50 WeakPolarHBondContact O-CB 3.48Å; K47-Q50 PolarHBondContact O-N 2.76Å
48A81.6Confident90.4Very high103 Ų10363.6 Ų63.685%0.85134%0.339SS*.THydrogen-bonded Turntrans51.439.3176.100000113.8Q50A48-Q50 PolarHBondContact O-N 3.16Å
49G82.9Confident90.2Very high80 Ų8058.3 Ų58.383%0.82532%0.317SS*.THydrogen-bonded Turntrans74.91.9179.700000115.7K47K47-G49 PolarHBondContact O-N 3.1Å
50Q85.1Confident90.1Very high62 Ų6258.2 Ų58.229%0.2932%0.316SS..BIsolated β-bridgetrans-77.6137.4179.1-63178.6-38.700112.1K47 A48 Q54 R55 Q58K47-Q50 WeakPolarHBondContact O-CB 3.48Å; K47-Q50 PolarHBondContact O-N 2.76Å; A48-Q50 PolarHBondContact O-N 3.16Å; Q50-Q54 VanDerWaalsContact CA-OE1 3.31Å; Q50-Q54 HydrophobicContact CB-CB 4.35Å; Q50-R55 HydrophobicContact CB-CG 3.99Å; Q50-Q58 VanDerWaalsContact NE2-OE1 3.17Å
51T89.1Confident89.8Confident74 Ų7463.2 Ų63.245%0.45434%0.342SS..  trans-71.2161.5169.772.50000111Q53 Q54 R55T51-Q53 VanDerWaalsContact C-N 3.26Å; T51-Q53 PolarHBondContact O-N 2.76Å; T51-Q54 PolarHBondContact O-N 3.29Å; T51-Q54 VanDerWaalsContact OG1-CG 3.31Å; T51-Q54 WeakPolarHBondContact OG1-CG 3.38Å; T51-Q54 PolarHBondContact OG1-N 3.47Å; T51-R55 WeakPolarHBondContact O-CG 3.5Å; T51-R55 PolarHBondContact O-N 3Å
52L89.7Confident89.6Confident40 Ų4064.5 Ų64.521%0.20935%0.352CS..Hα-helixtrans-56.9-42177.2-57-177.8000111.9V44 R55 V56 A81V44-L52 HydrophobicContact CB-CD2 3.93Å; V44-L52 HydrophobicContact CG1-CD2 3.7Å; L52-R55 WeakPolarHBondContact O-CB 3.24Å; L52-R55 PolarHBondContact O-N 3.46Å; L52-V56 VanDerWaalsContact O-CG2 3.32Å; L52-V56 WeakPolarHBondContact O-CG2 3.43Å; L52-V56 PolarHBondContact O-N 3.34Å; L52-A81 HydrophobicContact CB-CB 4.04Å
53Q88.2Confident89.4Confident112 Ų11268 Ų6852%0.52337%0.367SS..Hα-helixtrans-65.9-40.1178.9-66.2-59.8-17.100112.5T51 R55 V56 F57T51-Q53 VanDerWaalsContact C-N 3.26Å; T51-Q53 PolarHBondContact O-N 2.76Å; Q53-R55 VanDerWaalsContact C-N 3.28Å; Q53-R55 PolarHBondContact O-N 3.48Å; Q53-V56 PolarHBondContact O-N 3Å; Q53-F57 WeakPolarHBondContact O-CB 3.42Å; Q53-F57 PolarHBondContact O-N 3.3Å
54Q90.9Very high89.5Confident101 Ų10167.4 Ų67.447%0.47236%0.364SS..Hα-helixtrans-62.3-37.3173.6-73.4169.1-16.100111.8Q50 T51 F57 Q58Q50-Q54 VanDerWaalsContact CA-OE1 3.31Å; Q50-Q54 HydrophobicContact CB-CB 4.35Å; T51-Q54 PolarHBondContact O-N 3.29Å; T51-Q54 VanDerWaalsContact OG1-CG 3.31Å; T51-Q54 WeakPolarHBondContact OG1-CG 3.38Å; T51-Q54 PolarHBondContact OG1-N 3.47Å; Q54-F57 PolarHBondContact O-N 2.85Å; Q54-Q58 WeakPolarHBondContact O-CB 3.32Å; Q54-Q58 PolarHBondContact O-N 2.78Å
55R90.3Very high89.7Confident35 Ų3567.3 Ų67.313%0.13236%0.364CS..Hα-helixtrans-65.3-40.3175.3-65.7-163.268.4-158.6-8.2111.9T19 V44 R45 Q50 T51 L52 Q53 I59T19-R55 PolarHBondContact OG1-NH2 3.12Å; V44-R55 HydrophobicContact CG1-CB 4.3Å; R45-R55 WeakPolarHBondContact O-CD 3.16Å; R45-R55 PolarHBondContact O-NH1 3.27Å; Q50-R55 HydrophobicContact CB-CG 3.99Å; T51-R55 WeakPolarHBondContact O-CG 3.5Å; T51-R55 PolarHBondContact O-N 3Å; L52-R55 WeakPolarHBondContact O-CB 3.24Å; L52-R55 PolarHBondContact O-N 3.46Å; Q53-R55 VanDerWaalsContact C-N 3.28Å; Q53-R55 PolarHBondContact O-N 3.48Å; R55-I59 WeakPolarHBondContact O-CG1 3.37Å; R55-I59 PolarHBondContact O-N 3.37Å
56V92.7Very high90.1Very high6 Ų667.7 Ų67.74%0.03637%0.369CS..Hα-helixtrans-63.9-48.7174.7178.10000110.5I42 L52 Q53 Q58 I59 L60 I79 A81I42-V56 HydrophobicContact CD1-CG2 3.87Å; L52-V56 VanDerWaalsContact O-CG2 3.32Å; L52-V56 WeakPolarHBondContact O-CG2 3.43Å; L52-V56 PolarHBondContact O-N 3.34Å; Q53-V56 PolarHBondContact O-N 3Å; V56-Q58 VanDerWaalsContact C-N 3.3Å; V56-Q58 PolarHBondContact O-N 3.45Å; V56-I59 WeakPolarHBondContact O-CB 3.45Å; V56-I59 PolarHBondContact O-N 3.1Å; V56-L60 HydrophobicContact CG1-CD1 4.05Å; V56-L60 HydrophobicContact CG1-CG 4.41Å; V56-L60 PolarHBondContact O-N 3.37Å; V56-I79 HydrophobicContact CG1-CB 4.24Å; V56-I79 HydrophobicContact CG1-CD1 4.24Å; V56-I79 HydrophobicContact CG1-CG2 3.85Å; V56-I79 HydrophobicContact CG2-CG2 4.22Å; V56-A81 HydrophobicContact CG2-CB 3.62Å
57F92.6Very high90.9Very high139 Ų13968.7 Ų68.761%0.6137%0.366SS*.Hα-helixtrans-55.7-45.8178-179.3-94.6000111.5Q53 Q54 I59 L60 D61Q53-F57 WeakPolarHBondContact O-CB 3.42Å; Q53-F57 PolarHBondContact O-N 3.3Å; Q54-F57 PolarHBondContact O-N 2.85Å; F57-I59 VanDerWaalsContact C-N 3.27Å; F57-I59 PolarHBondContact O-N 2.98Å; F57-L60 CarbonylContact O-C 3.44Å; F57-L60 PolarHBondContact O-N 2.93Å; F57-D61 HydrophobicContact CE1-CB 4.32Å; F57-D61 WeakPolarHBondContact O-CB 3.44Å; F57-D61 PolarHBondContact O-N 2.86Å
58Q92.2Very high91.7Very high113 Ų11362 Ų6253%0.52834%0.337SS..Hα-helixtrans-61.7-33.6177.8-175178.38.400113.2Q50 Q54 V56Q50-Q58 VanDerWaalsContact NE2-OE1 3.17Å; Q54-Q58 WeakPolarHBondContact O-CB 3.32Å; Q54-Q58 PolarHBondContact O-N 2.78Å; V56-Q58 VanDerWaalsContact C-N 3.3Å; V56-Q58 PolarHBondContact O-N 3.45Å
59I93.8Very high92.4Very high11 Ų1161.2 Ų61.26%0.05631%0.314CS..Hα-helixtrans-67.2-50.3174.9-69.2167.3000109.5T19 K24 R55 V56 F57 D61 S62 F65T19-I59 HydrophobicContact CG2-CD1 3.96Å; K24-I59 HydrophobicContact CG-CG2 4.19Å; R55-I59 WeakPolarHBondContact O-CG1 3.37Å; R55-I59 PolarHBondContact O-N 3.37Å; V56-I59 WeakPolarHBondContact O-CB 3.45Å; V56-I59 PolarHBondContact O-N 3.1Å; F57-I59 VanDerWaalsContact C-N 3.27Å; F57-I59 PolarHBondContact O-N 2.98Å; I59-D61 VanDerWaalsContact C-N 3.3Å; I59-D61 PolarHBondContact O-N 3.47Å; I59-S62 VanDerWaalsContact O-CB 3.32Å; I59-S62 WeakPolarHBondContact O-CB 3.28Å; I59-S62 PolarHBondContact O-N 2.73Å; I59-S62 VanDerWaalsContact O-N 3.14Å; I59-S62 PolarHBondContact O-OG 3.38Å; I59-F65 HydrophobicContact CG2-CD2 4.1Å; I59-F65 HydrophobicContact CG2-CE2 3.34Å; I59-F65 HydrophobicContact CG2-CZ 3.63Å; I59-F65 WeakPolarHBondContact O-CD2 3.33Å
60L95.3Very high93Very high13 Ų1363.5 Ų63.57%0.06830%0.303CS..Hα-helixtrans-67.1-28.3-179-66.6178.9000113.1V56 F57 S62 F65 K69 V75 H76 I79V56-L60 HydrophobicContact CG1-CD1 4.05Å; V56-L60 HydrophobicContact CG1-CG 4.41Å; V56-L60 PolarHBondContact O-N 3.37Å; F57-L60 CarbonylContact O-C 3.44Å; F57-L60 PolarHBondContact O-N 2.93Å; L60-S62 PolarHBondContact O-N 3.25Å; L60-F65 HydrophobicContact CD2-CB 4.45Å; L60-F65 HydrophobicContact CD2-CD1 3.71Å; L60-F65 HydrophobicContact CD2-CE1 4.13Å; L60-F65 HydrophobicContact CD2-CG 4.08Å; L60-K69 WeakPolarHBondContact O-CE 3.11Å; L60-K69 PolarHBondContact O-NZ 3.4Å; L60-V75 HydrophobicContact CD1-CG1 4.41Å; L60-V75 HydrophobicContact CD2-CG1 4.09Å; L60-V75 HydrophobicContact CD2-CG2 4.08Å; L60-H76 HydrophobicContact CD1-CB 3.96Å; L60-I79 HydrophobicContact CD1-CD1 4.17Å; L60-I79 HydrophobicContact CD2-CD1 3.79Å; L60-I79 HydrophobicContact CG-CD1 4.22Å
61D94.1Very high93.5Very high106 Ų10663.5 Ų63.557%0.56731%0.308SS*.THydrogen-bonded Turntrans-72.6-14.7175.6-167.957000112.9F57 I59F57-D61 HydrophobicContact CE1-CB 4.32Å; F57-D61 WeakPolarHBondContact O-CB 3.44Å; F57-D61 PolarHBondContact O-N 2.86Å; I59-D61 VanDerWaalsContact C-N 3.3Å; I59-D61 PolarHBondContact O-N 3.47Å
62S93.1Very high93.8Very high31 Ų3160.1 Ų60.122%0.21729%0.287CS..SBendtrans-70.2149.5177.677.60000112.2I59 L60 L64 F65I59-S62 VanDerWaalsContact O-CB 3.32Å; I59-S62 WeakPolarHBondContact O-CB 3.28Å; I59-S62 PolarHBondContact O-N 2.73Å; I59-S62 VanDerWaalsContact O-N 3.14Å; I59-S62 PolarHBondContact O-OG 3.38Å; L60-S62 PolarHBondContact O-N 3.25Å; S62-L64 PolarHBondContact O-N 3.05Å; S62-F65 PolarHBondContact O-N 3.02Å
63K93.2Very high93.9Very high73 Ų7362.9 Ų62.932%0.31731%0.307SS..G310 helixtrans-51.3-30.3177.9-170.8168.5-167.4173.30113.9F65 E66 F240 Y444K63-F65 PolarHBondContact O-N 3.25Å; K63-E66 VanDerWaalsContact CE-OE2 3.3Å; K63-E66 WeakPolarHBondContact CE-OE2 3.39Å; K63-E66 HydrophobicContact CG-CG 4.46Å; K63-E66 PolarHBondContact O-N 2.87Å; K63-F240 HydrophobicContact CB-CZ 4.26Å; K63-F240 HydrophobicContact CD-CE1 4.45Å; K63-F240 HydrophobicContact CD-CE2 4.45Å; K63-F240 HydrophobicContact CD-CZ 3.98Å; K63-F240 HydrophobicContact CG-CE1 3.99Å; K63-F240 HydrophobicContact CG-CZ 3.68Å; K63-Y444 HydrophobicContact CD-CE1 3.75Å
64L96.3Very high94.2Very high1 Ų160.5 Ų60.51%0.00530%0.298CS..G310 helixtrans-55.2-35.7179.6-176.769.7000112.2K24 V25 E28 S62 P239 W243K24-L64 HydrophobicContact CB-CD2 3.77Å; V25-L64 HydrophobicContact CG2-CD2 4.32Å; E28-L64 HydrophobicContact CB-CD1 4.35Å; E28-L64 HydrophobicContact CB-CD2 4.11Å; E28-L64 HydrophobicContact CB-CG 3.95Å; E28-L64 HydrophobicContact CG-CD1 4Å; E28-L64 HydrophobicContact CG-CG 3.8Å; E28-L64 VanDerWaalsContact CG-O 3.26Å; E28-L64 WeakPolarHBondContact CG-O 3.37Å; S62-L64 PolarHBondContact O-N 3.05Å; L64-P239 HydrophobicContact CD1-CG 3.64Å; L64-W243 HydrophobicContact CB-CD2 4.44Å; L64-W243 HydrophobicContact CB-CZ2 3.86Å; L64-W243 HydrophobicContact CD1-CD2 3.82Å; L64-W243 HydrophobicContact CD1-CE3 3.93Å; L64-W243 HydrophobicContact CD1-CG 4.27Å; L64-W243 HydrophobicContact CD1-CZ2 4.39Å; L64-W243 HydrophobicContact CD1-CZ3 4.27Å; L64-W243 HydrophobicContact CD2-CE3 4.42Å; L64-W243 HydrophobicContact CD2-CH2 3.62Å; L64-W243 HydrophobicContact CD2-CZ2 3.78Å; L64-W243 HydrophobicContact CD2-CZ3 3.95Å; L64-W243 HydrophobicContact CG-CH2 4.44Å; L64-W243 HydrophobicContact CG-CZ2 4.22Å
65F96.7Very high94.4Very high0 Ų055.9 Ų55.90%028%0.277CS..G310 helixtrans-96.26.8-175-71.5-94.9000114K24 M27 E28 I59 L60 S62 K63 K67 V68 K69K24-F65 HydrophobicContact CB-CE2 4.46Å; M27-F65 HydrophobicContact CB-CE1 4.16Å; M27-F65 HydrophobicContact CB-CZ 4Å; E28-F65 HydrophobicContact CB-CE1 4.29Å; E28-F65 HydrophobicContact CB-CZ 4.35Å; I59-F65 HydrophobicContact CG2-CD2 4.1Å; I59-F65 HydrophobicContact CG2-CE2 3.34Å; I59-F65 HydrophobicContact CG2-CZ 3.63Å; I59-F65 WeakPolarHBondContact O-CD2 3.33Å; L60-F65 HydrophobicContact CD2-CB 4.45Å; L60-F65 HydrophobicContact CD2-CD1 3.71Å; L60-F65 HydrophobicContact CD2-CE1 4.13Å; L60-F65 HydrophobicContact CD2-CG 4.08Å; S62-F65 PolarHBondContact O-N 3.02Å; K63-F65 PolarHBondContact O-N 3.25Å; F65-K67 PolarHBondContact O-N 2.97Å; F65-V68 HydrophobicContact CB-CB 4.41Å; F65-V68 HydrophobicContact CD1-CB 4.14Å; F65-V68 HydrophobicContact CD1-CG1 4.21Å; F65-V68 HydrophobicContact CD1-CG2 4.09Å; F65-V68 WeakPolarHBondContact O-CB 3.34Å; F65-V68 PolarHBondContact O-N 3.42Å; F65-K69 WeakPolarHBondContact O-CG 3.36Å; F65-K69 PolarHBondContact O-N 3.42Å
66E95.3Very high94.6Very high104 Ų10459.5 Ų59.549%0.48630%0.295SS..Hα-helixtrans-56.8-50.6177.2-77.2175.3-176.100111.1K63 V68 K69 E70K63-E66 VanDerWaalsContact CE-OE2 3.3Å; K63-E66 WeakPolarHBondContact CE-OE2 3.39Å; K63-E66 HydrophobicContact CG-CG 4.46Å; K63-E66 PolarHBondContact O-N 2.87Å; E66-V68 VanDerWaalsContact C-N 3.29Å; E66-V68 PolarHBondContact O-N 3.44Å; E66-K69 PolarHBondContact O-N 3.28Å; E66-E70 PolarHBondContact O-N 3.41Å
67K95.2Very high94.7Very high99 Ų9965.6 Ų65.643%0.4332%0.323SS..Hα-helixtrans-66.4-32.8179.5-169.857.6177.1178.60112.8F65 K69 E70 V71F65-K67 PolarHBondContact O-N 2.97Å; K67-K69 VanDerWaalsContact C-N 3.34Å; K67-E70 WeakPolarHBondContact CD-OE2 3.43Å; K67-E70 WeakPolarHBondContact CE-OE2 3.45Å; K67-E70 IonicContact NZ-OE2 3.11Å; K67-E70 PolarHBondContact NZ-OE2 2.83Å; K67-E70 WeakPolarHBondContact O-CB 3.36Å; K67-E70 PolarHBondContact O-N 3.21Å; K67-V71 PolarHBondContact O-N 2.94Å
68V97.5Very high94.9Very high0 Ų060.6 Ų60.60%030%0.301CS..Hα-helixtrans-62.6-42175.5171.20000110.9E28 F31 R32 F65 E66 E70 V71 C72 V75E28-V68 HydrophobicContact CB-CG2 4.39Å; E28-V68 HydrophobicContact CG-CG2 3.79Å; E28-V68 WeakPolarHBondContact O-CG2 3.39Å; F31-V68 HydrophobicContact CB-CG1 3.5Å; F31-V68 HydrophobicContact CB-CG2 4.26Å; F31-V68 HydrophobicContact CG-CG1 4.23Å; R32-V68 HydrophobicContact CB-CG2 4.18Å; F65-V68 HydrophobicContact CB-CB 4.41Å; F65-V68 HydrophobicContact CD1-CB 4.14Å; F65-V68 HydrophobicContact CD1-CG1 4.21Å; F65-V68 HydrophobicContact CD1-CG2 4.09Å; F65-V68 WeakPolarHBondContact O-CB 3.34Å; F65-V68 PolarHBondContact O-N 3.42Å; E66-V68 VanDerWaalsContact C-N 3.29Å; E66-V68 PolarHBondContact O-N 3.44Å; V68-E70 PolarHBondContact O-N 3.22Å; V68-V71 PolarHBondContact O-N 2.78Å; V68-C72 CarbonylContact O-C 3.58Å; V68-C72 WeakPolarHBondContact O-CA 3.44Å; V68-C72 PolarHBondContact O-N 3.39Å; V68-V75 HydrophobicContact CG1-CB 4.1Å; V68-V75 HydrophobicContact CG1-CG1 4.37Å; V68-V75 HydrophobicContact CG1-CG2 3.79Å
69K96.2Very high95.2Very high85 Ų8555.7 Ų55.737%0.3728%0.278SS..Hα-helixtrans-65.1-27178.3-68.8172.7-173.8171.60113L60 F65 E66 K67 P73 V75L60-K69 WeakPolarHBondContact O-CE 3.11Å; L60-K69 PolarHBondContact O-NZ 3.4Å; F65-K69 WeakPolarHBondContact O-CG 3.36Å; F65-K69 PolarHBondContact O-N 3.42Å; E66-K69 PolarHBondContact O-N 3.28Å; K67-K69 VanDerWaalsContact C-N 3.34Å; K69-P73 WeakPolarHBondContact O-CA 3.4Å; K69-V75 HydrophobicContact CG-CG1 4.47Å
70E95.7Very high95.3Very high128 Ų12859.9 Ų59.960%0.59829%0.294SS*.Hα-helixtrans-71.5-40174-64174.7-16600112.2E66 K67 V68E66-E70 PolarHBondContact O-N 3.41Å; K67-E70 WeakPolarHBondContact CD-OE2 3.43Å; K67-E70 WeakPolarHBondContact CE-OE2 3.45Å; K67-E70 IonicContact NZ-OE2 3.11Å; K67-E70 PolarHBondContact NZ-OE2 2.83Å; K67-E70 WeakPolarHBondContact O-CB 3.36Å; K67-E70 PolarHBondContact O-N 3.21Å; V68-E70 PolarHBondContact O-N 3.22Å
71V95.1Very high95.3Very high63 Ų6359.6 Ų59.638%0.38229%0.293SS..Hα-helixtrans-89.9-32.1-174.8-178.50000112.3P35 K67 V68P35-V71 HydrophobicContact CB-CG1 4.26Å; P35-V71 HydrophobicContact CG-CG1 4.26Å; K67-V71 PolarHBondContact O-N 2.94Å; V68-V71 PolarHBondContact O-N 2.78Å
72C94.7Very high95.4Very high3 Ų354.5 Ų54.52%0.0227%0.266CS..  trans-132.377.8179-173.20000109.6P35 V68 N74 V75P35-C72 HydrophobicContact CB-CB 4.36Å; V68-C72 CarbonylContact O-C 3.58Å; V68-C72 WeakPolarHBondContact O-CA 3.44Å; V68-C72 PolarHBondContact O-N 3.39Å; C72-N74 PolarHBondContact O-N 3.17Å; C72-V75 HydrophobicContact CB-CB 4.42Å; C72-V75 VanDerWaalsContact O-CB 3.31Å; C72-V75 WeakPolarHBondContact O-CB 3.44Å; C72-V75 PolarHBondContact O-N 2.9Å
73P93.7Very high95.5Very high98 Ų9857.6 Ų57.664%0.63627%0.273SS*.THydrogen-bonded Turntrans-58.5-30.2-178-26.135.3000113.8K69 V75K69-P73 WeakPolarHBondContact O-CA 3.4Å; P73-V75 VanDerWaalsContact C-N 3.33Å; P73-V75 PolarHBondContact O-N 3.45Å
74N93.5Very high95.5Very high61 Ų6154.3 Ų54.333%0.32626%0.259SS..THydrogen-bonded Turntrans-91.421.1177.671-32.8000114C72 H76 E77C72-N74 PolarHBondContact O-N 3.17Å; N74-H76 PolarHBondContact O-N 3.34Å; N74-E77 HydrophobicContact CB-CG 4.4Å; N74-E77 PolarHBondContact ND2-OE2 2.64Å; N74-E77 WeakPolarHBondContact O-CB 3.22Å; N74-E77 PolarHBondContact O-N 2.76Å
75V95.8Very high95.3Very high4 Ų455.5 Ų55.52%0.02427%0.266CS..G310 helixtrans-49.8-33.6-179.960.90000113.9F31 L60 V68 K69 C72 P73 E77 K78 I79F31-V75 HydrophobicContact CB-CG2 4.41Å; F31-V75 HydrophobicContact CD1-CG2 3.91Å; F31-V75 HydrophobicContact CD2-CG2 3.63Å; F31-V75 HydrophobicContact CE1-CG2 4.01Å; F31-V75 HydrophobicContact CE2-CG2 3.73Å; F31-V75 HydrophobicContact CG-CG2 3.74Å; F31-V75 HydrophobicContact CZ-CG2 3.94Å; L60-V75 HydrophobicContact CD1-CG1 4.41Å; L60-V75 HydrophobicContact CD2-CG1 4.09Å; L60-V75 HydrophobicContact CD2-CG2 4.08Å; V68-V75 HydrophobicContact CG1-CB 4.1Å; V68-V75 HydrophobicContact CG1-CG1 4.37Å; V68-V75 HydrophobicContact CG1-CG2 3.79Å; K69-V75 HydrophobicContact CG-CG1 4.47Å; C72-V75 HydrophobicContact CB-CB 4.42Å; C72-V75 VanDerWaalsContact O-CB 3.31Å; C72-V75 WeakPolarHBondContact O-CB 3.44Å; C72-V75 PolarHBondContact O-N 2.9Å; P73-V75 VanDerWaalsContact C-N 3.33Å; P73-V75 PolarHBondContact O-N 3.45Å; V75-E77 VanDerWaalsContact C-N 3.3Å; V75-E77 PolarHBondContact O-N 3.29Å; V75-K78 PolarHBondContact O-N 2.95Å; V75-K78 VanDerWaalsContact O-N 3.1Å; V75-I79 HydrophobicContact CG2-CD1 4.15Å; V75-I79 PolarHBondContact O-N 3Å
76H93.9Very high95.1Very high111 Ų11156.5 Ų56.551%0.51427%0.271SS..G310 helixtrans-64.6-32.1179.964.1-80.9000113.1L60 N74 K78L60-H76 HydrophobicContact CD1-CB 3.96Å; N74-H76 PolarHBondContact O-N 3.34Å; H76-K78 VanDerWaalsContact C-N 3.26Å; H76-K78 PolarHBondContact O-N 2.76Å
77E95.2Very high94.8Very high134 Ų13453.8 Ų53.863%0.62626%0.26SS*.G310 helixtrans-73.2-23175.6-56.8176.8169.600111.7N74 V75N74-E77 HydrophobicContact CB-CG 4.4Å; N74-E77 PolarHBondContact ND2-OE2 2.64Å; N74-E77 WeakPolarHBondContact O-CB 3.22Å; N74-E77 PolarHBondContact O-N 2.76Å; V75-E77 VanDerWaalsContact C-N 3.3Å; V75-E77 PolarHBondContact O-N 3.29Å
78K96.8Very high94.4Very high34 Ų3453.9 Ų53.915%0.14826%0.262CS..G310 helixtrans-92.65.5-178.6-58.9-167.2173.3-154.20113.6F31 P35 L37 V39 I40 V75 H76F31-K78 HydrophobicContact CE1-CB 3.64Å; F31-K78 HydrophobicContact CE1-CD 4.36Å; F31-K78 HydrophobicContact CZ-CB 4.16Å; P35-K78 PolarHBondContact O-NZ 3.03Å; L37-K78 PolarHBondContact O-NZ 3.25Å; V39-K78 CarbonylContact C-O 3.52Å; V39-K78 WeakPolarHBondContact CA-O 3.3Å; I40-K78 PolarHBondContact N-O 2.93Å; V75-K78 PolarHBondContact O-N 2.95Å; V75-K78 VanDerWaalsContact O-N 3.1Å; H76-K78 VanDerWaalsContact C-N 3.26Å; H76-K78 PolarHBondContact O-N 2.76Å
79I97.5Very high93.6Very high10 Ų1059.7 Ų59.75%0.05129%0.293CS..EExtended strand (participates in β ladder)trans-113.4115.4174.9-62.9169000109.1M27 F31 I40 I42 V56 L60 V75M27-I79 HydrophobicContact CE-CD1 3.58Å; M27-I79 HydrophobicContact CE-CG1 4.02Å; M27-I79 HydrophobicContact CE-CG2 4.42Å; F31-I79 HydrophobicContact CE2-CD1 3.8Å; F31-I79 HydrophobicContact CE2-CG1 3.67Å; F31-I79 HydrophobicContact CZ-CD1 4.12Å; F31-I79 HydrophobicContact CZ-CG1 3.51Å; I40-I79 WeakPolarHBondContact O-CA 3.43Å; I42-I79 HydrophobicContact CD1-CG2 3.68Å; I42-I79 HydrophobicContact CG1-CG2 3.97Å; V56-I79 HydrophobicContact CG1-CB 4.24Å; V56-I79 HydrophobicContact CG1-CD1 4.24Å; V56-I79 HydrophobicContact CG1-CG2 3.85Å; V56-I79 HydrophobicContact CG2-CG2 4.22Å; L60-I79 HydrophobicContact CD1-CD1 4.17Å; L60-I79 HydrophobicContact CD2-CD1 3.79Å; L60-I79 HydrophobicContact CG-CD1 4.22Å; V75-I79 HydrophobicContact CG2-CD1 4.15Å; V75-I79 PolarHBondContact O-N 3Å
80R96.5Very high93Very high100 Ų10061.3 Ų61.338%0.37731%0.305SS..EExtended strand (participates in β ladder)trans-104.5104.9174.1-176.875.4174.3139.812.7109.3V39 I40 Y41 I42 I82 D97 E100V39-R80 HydrophobicContact CG2-CB 3.79Å; I40-R80 PolarHBondContact O-N 3.38Å; Y41-R80 WeakPolarHBondContact CA-O 3.16Å; Y41-R80 HydrophobicContact CD1-CB 3.64Å; Y41-R80 HydrophobicContact CD1-CG 3.71Å; Y41-R80 HydrophobicContact CE1-CB 3.89Å; Y41-R80 HydrophobicContact CE1-CG 3.79Å; I42-R80 PolarHBondContact N-O 3.47Å; R80-I82 HydrophobicContact CG-CD1 4.47Å; R80-I82 HydrophobicContact CG-CG1 4.24Å; R80-D97 IonicContact CZ-OD1 3.28Å; R80-D97 IonicContact NH2-OD1 2.71Å; R80-D97 PolarHBondContact NH2-OD1 3.46Å; R80-E100 IonicContact NE-OE2 2.9Å
81A96.2Very high92.8Very high6 Ų655.3 Ų55.35%0.0528%0.278CS..EExtended strand (participates in β ladder)trans-83.2121.7174.400000111.1I42 V44 L52 V56I42-A81 HydrophobicContact CD1-CB 4.23Å; I42-A81 HydrophobicContact CG1-CB 3.93Å; V44-A81 HydrophobicContact CG2-CB 4.41Å; L52-A81 HydrophobicContact CB-CB 4.04Å; V56-A81 HydrophobicContact CG2-CB 3.62Å
82I95.9Very high92.7Very high0 Ų054.5 Ų54.50%028%0.277CS..EExtended strand (participates in β ladder)trans-111.5133.3179.5-67.3169.8000108.5Y41 I42 L43 V44 R80 A84 I93 D97 L101Y41-I82 HydrophobicContact CD1-CD1 3.71Å; Y41-I82 HydrophobicContact CE1-CD1 4.42Å; Y41-I82 HydrophobicContact CG-CD1 4.4Å; I42-I82 PolarHBondContact O-N 3.36Å; L43-I82 HydrophobicContact CD2-CB 4.18Å; L43-I82 HydrophobicContact CD2-CG2 4.23Å; V44-I82 PolarHBondContact N-O 3.4Å; R80-I82 HydrophobicContact CG-CD1 4.47Å; R80-I82 HydrophobicContact CG-CG1 4.24Å; I82-A84 PolarHBondContact O-N 3.42Å; I82-I93 HydrophobicContact CG2-CG1 4.31Å; I82-I93 HydrophobicContact CG2-CG2 3.92Å; I82-D97 HydrophobicContact CD1-CB 4.24Å; I82-D97 HydrophobicContact CG1-CB 4.25Å; I82-D97 HydrophobicContact CG2-CB 3.81Å; I82-L101 HydrophobicContact CD1-CD1 3.88Å; I82-L101 HydrophobicContact CD1-CD2 3.63Å; I82-L101 HydrophobicContact CD1-CG 3.65Å
83Y94.4Very high92.7Very high96 Ų9655.3 Ų55.338%0.37628%0.281SS..EExtended strand (participates in β ladder)trans-64.6124.8172.2176.4-90000109.1V44 P46 A92V44-Y83 WeakPolarHBondContact O-CA 3.42Å; P46-Y83 HydrophobicContact CG-CD2 3.88Å; P46-Y83 HydrophobicContact CG-CE2 3.62Å; Y83-A92 VanDerWaalsContact CD1-O 3.3Å; Y83-A92 WeakPolarHBondContact CD1-O 3.3Å; Y83-A92 HydrophobicContact CE1-CB 3.86Å; Y83-A92 WeakPolarHBondContact CE1-O 3.48Å
84A94Very high92.8Very high3 Ų352.6 Ų52.63%0.02527%0.265CS..  trans-154.7133174.500000111.1L43 V44 R45 I82 F91 I93L43-A84 HydrophobicContact CB-CB 3.89Å; L43-A84 HydrophobicContact CD1-CB 4.15Å; L43-A84 HydrophobicContact CD2-CB 3.98Å; L43-A84 HydrophobicContact CG-CB 4.2Å; V44-A84 PolarHBondContact O-N 3.04Å; R45-A84 WeakPolarHBondContact CG-O 3.39Å; I82-A84 PolarHBondContact O-N 3.42Å; A84-F91 CarbonylContact C-O 3.48Å; A84-F91 WeakPolarHBondContact CA-O 3.36Å; A84-F91 HydrophobicContact CB-CB 4.19Å; A84-I93 HydrophobicContact CB-CD1 4.13Å; A84-I93 HydrophobicContact CB-CG1 3.74Å
85D92.3Very high92.9Very high27 Ų2758.4 Ų58.414%0.14429%0.287CS..  trans-114.2106.6169.1-170.22.7000111.5R45 N87 Q88 F91R45-D85 WeakPolarHBondContact CD-OD1 3.31Å; R45-D85 HydrophobicContact CG-CB 4.28Å; R45-D85 IonicContact CZ-OD1 3.66Å; R45-D85 IonicContact NE-OD1 3.82Å; R45-D85 IonicContact NH1-OD1 3.72Å; R45-D85 PolarHBondContact NH1-OD1 3.49Å; D85-N87 PolarHBondContact O-N 2.97Å; D85-N87 WeakPolarHBondContact OD1-CB 3.45Å; D85-N87 PolarHBondContact OD1-N 2.93Å; D85-Q88 HydrophobicContact CB-CB 4.48Å; D85-Q88 HydrophobicContact CB-CG 3.98Å; D85-Q88 PolarHBondContact O-N 3.47Å; D85-F91 PolarHBondContact N-O 3.37Å; D85-F91 CarbonylContact O-C 3.09Å; D85-F91 VanDerWaalsContact O-CA 3.31Å; D85-F91 WeakPolarHBondContact O-CA 3.44Å
86L91.2Very high93Very high20 Ų2064.9 Ų64.911%0.10532%0.317CS..THydrogen-bonded Turntrans-63.9-7.9178.4-58.5-177.1000114.1L43 F91 A112 Q126 L127 A131L43-L86 HydrophobicContact CD1-CD2 4.37Å; L86-F91 HydrophobicContact CD2-CB 4.44Å; L86-F91 HydrophobicContact CD2-CD1 3.49Å; L86-F91 VanDerWaalsContact CD2-CD1 3.49Å; L86-F91 HydrophobicContact CD2-CD2 4.22Å; L86-F91 HydrophobicContact CD2-CE1 3.61Å; L86-F91 HydrophobicContact CD2-CE2 4.33Å; L86-F91 HydrophobicContact CD2-CG 3.8Å; L86-F91 HydrophobicContact CD2-CZ 4.03Å; L86-A112 HydrophobicContact CD1-CB 3.46Å; L86-A112 VanDerWaalsContact CD1-CB 3.46Å; L86-Q126 PolarHBondContact O-NE2 3.39Å; L86-L127 HydrophobicContact CB-CD2 3.76Å; L86-A131 HydrophobicContact CB-CB 3.93Å
87N89.2Confident93.1Very high47 Ų4760.8 Ų60.825%0.25130%0.299SS..THydrogen-bonded Turntrans-85.2-7.8171.5-69.2-32.9000113.7R45 D85 Q126 L127R45-N87 PolarHBondContact NH1-ND2 3.45Å; D85-N87 PolarHBondContact O-N 2.97Å; D85-N87 WeakPolarHBondContact OD1-CB 3.45Å; D85-N87 PolarHBondContact OD1-N 2.93Å; N87-Q126 HydrophobicContact CB-CG 4.47Å; N87-L127 WeakPolarHBondContact OD1-CD2 3.37Å; N87-L127 WeakPolarHBondContact OD1-CG 3.24Å
88Q87.9Confident93.2Very high102 Ų10256.3 Ų56.348%0.47728%0.278SS..SBendtrans-106.8154.5-178.3-62.8-66.8-41.700110.8D85 F91 A92D85-Q88 HydrophobicContact CB-CB 4.48Å; D85-Q88 HydrophobicContact CB-CG 3.98Å; D85-Q88 PolarHBondContact O-N 3.47Å; Q88-F91 PolarHBondContact O-N 3.04Å; Q88-A92 HydrophobicContact CB-CB 4.17Å; Q88-A92 HydrophobicContact CG-CB 4.4Å
89N80.6Confident93.3Very high121 Ų12160 Ų6065%0.64730%0.296SS*.G310 helixtrans-60.8139.9167.7-67.9-23.2000110.1F91 A92 Q134N89-F91 PolarHBondContact O-N 3.1Å; N89-A92 PolarHBondContact O-N 3.25Å; N89-Q134 PolarHBondContact OD1-NE2 2.85Å
90D82.1Confident93.3Very high119 Ų11962.2 Ų62.264%0.63631%0.306SS*.G310 helixtrans53.519.7-174.7-53.7-36.2000114.9A92 I93D90-A92 PolarHBondContact O-N 2.83Å; D90-I93 PolarHBondContact O-N 3.46Å
91F93.2Very high93.4Very high3 Ų357.5 Ų57.51%0.01329%0.288CS..G310 helixtrans57.912.3-177.8-47.6-41000115.5A84 D85 L86 Q88 N89 I93 A131 Q134 L135 M138A84-F91 CarbonylContact C-O 3.48Å; A84-F91 WeakPolarHBondContact CA-O 3.36Å; A84-F91 HydrophobicContact CB-CB 4.19Å; D85-F91 PolarHBondContact N-O 3.37Å; D85-F91 CarbonylContact O-C 3.09Å; D85-F91 VanDerWaalsContact O-CA 3.31Å; D85-F91 WeakPolarHBondContact O-CA 3.44Å; L86-F91 HydrophobicContact CD2-CB 4.44Å; L86-F91 HydrophobicContact CD2-CD1 3.49Å; L86-F91 VanDerWaalsContact CD2-CD1 3.49Å; L86-F91 HydrophobicContact CD2-CD2 4.22Å; L86-F91 HydrophobicContact CD2-CE1 3.61Å; L86-F91 HydrophobicContact CD2-CE2 4.33Å; L86-F91 HydrophobicContact CD2-CG 3.8Å; L86-F91 HydrophobicContact CD2-CZ 4.03Å; Q88-F91 PolarHBondContact O-N 3.04Å; N89-F91 PolarHBondContact O-N 3.1Å; F91-I93 HydrophobicContact CB-CD1 3.81Å; F91-I93 HydrophobicContact CB-CG1 3.89Å; F91-I93 HydrophobicContact CD2-CD1 3.94Å; F91-I93 HydrophobicContact CG-CD1 4.39Å; F91-I93 PolarHBondContact O-N 3.23Å; F91-I93 VanDerWaalsContact O-N 3.14Å; F91-A131 HydrophobicContact CE1-CB 4Å; F91-A131 WeakPolarHBondContact CZ-O 3.42Å; F91-Q134 HydrophobicContact CE1-CB 3.69Å; F91-Q134 VanDerWaalsContact CE1-OE1 3.3Å; F91-Q134 HydrophobicContact CE2-CB 4.39Å; F91-Q134 HydrophobicContact CZ-CB 3.5Å; F91-L135 HydrophobicContact CE2-CB 4.13Å; F91-L135 HydrophobicContact CE2-CD1 3.88Å; F91-L135 HydrophobicContact CZ-CB 3.93Å; F91-L135 HydrophobicContact CZ-CD1 4.47Å; F91-M138 HydrophobicContact CD2-SD 4.35Å; F91-M138 HydrophobicContact CE2-SD 4.27Å
92A92.7Very high93.5Very high45 Ų4558.4 Ų58.437%0.37229%0.292SS..G310 helixtrans51.829.6-173.200000114Y83 Q88 N89 D90Y83-A92 VanDerWaalsContact CD1-O 3.3Å; Y83-A92 WeakPolarHBondContact CD1-O 3.3Å; Y83-A92 HydrophobicContact CE1-CB 3.86Å; Y83-A92 WeakPolarHBondContact CE1-O 3.48Å; Q88-A92 HydrophobicContact CB-CB 4.17Å; Q88-A92 HydrophobicContact CG-CB 4.4Å; N89-A92 PolarHBondContact O-N 3.25Å; D90-A92 PolarHBondContact O-N 2.83Å
93I95.1Very high93.6Very high20 Ų2060.1 Ų60.110%0.10331%0.305CS..  trans-73.3141.3174.7-64.4166.6000108.6L43 I82 A84 D90 F91 D97 M98 L101L43-I93 HydrophobicContact CD2-CD1 4.33Å; I82-I93 HydrophobicContact CG2-CG1 4.31Å; I82-I93 HydrophobicContact CG2-CG2 3.92Å; A84-I93 HydrophobicContact CB-CD1 4.13Å; A84-I93 HydrophobicContact CB-CG1 3.74Å; D90-I93 PolarHBondContact O-N 3.46Å; F91-I93 HydrophobicContact CB-CD1 3.81Å; F91-I93 HydrophobicContact CB-CG1 3.89Å; F91-I93 HydrophobicContact CD2-CD1 3.94Å; F91-I93 HydrophobicContact CG-CD1 4.39Å; F91-I93 PolarHBondContact O-N 3.23Å; F91-I93 VanDerWaalsContact O-N 3.14Å; I93-D97 HydrophobicContact CG2-CB 3.79Å; I93-M98 HydrophobicContact CB-CE 4.11Å; I93-M98 HydrophobicContact CD1-CE 4.14Å; I93-M98 HydrophobicContact CG2-CB 4.01Å; I93-M98 HydrophobicContact CG2-CE 4.46Å; I93-L101 HydrophobicContact CD1-CD1 4.05Å; I93-L101 HydrophobicContact CG2-CD1 4.46Å
94S95.1Very high93.8Very high42 Ų4256.7 Ų56.729%0.29429%0.294SS..  trans-61.8155.8175.573.30000111.1E96 D97 M98S94-E96 PolarHBondContact O-N 2.9Å; S94-D97 PolarHBondContact O-N 2.72Å; S94-D97 VanDerWaalsContact OG-CB 3.23Å; S94-D97 WeakPolarHBondContact OG-CB 3.3Å; S94-D97 PolarHBondContact OG-N 2.92Å; S94-D97 PolarHBondContact OG-OD2 3.43Å; S94-M98 WeakPolarHBondContact O-CB 3.5Å; S94-M98 PolarHBondContact O-N 3.44Å
95K95.7Very high94Very high183 Ų18356.5 Ų56.580%0.79629%0.293SS*.Hα-helixtrans-62.6-36.7179.5-70.9-176.5178.6179.60111.4Q99K95-Q99 PolarHBondContact O-N 3.07Å
96E97.3Very high94.3Very high140 Ų14056.2 Ų56.265%0.65429%0.291SS*.Hα-helixtrans-67-51179.8-61.370.3-152.600110.9S94 M98 Q99 E100S94-E96 PolarHBondContact O-N 2.9Å; E96-M98 VanDerWaalsContact C-N 3.32Å; E96-M98 PolarHBondContact O-N 2.75Å; E96-Q99 PolarHBondContact O-N 2.74Å; E96-E100 PolarHBondContact O-N 2.8Å
97D96.8Very high94.7Very high25 Ų2555.2 Ų55.213%0.13429%0.286CS..Hα-helixtrans-66.9-35.4178.1-65.6-47.5000111.2R80 I82 I93 S94 E100 L101R80-D97 IonicContact CZ-OD1 3.28Å; R80-D97 IonicContact NH2-OD1 2.71Å; R80-D97 PolarHBondContact NH2-OD1 3.46Å; I82-D97 HydrophobicContact CD1-CB 4.24Å; I82-D97 HydrophobicContact CG1-CB 4.25Å; I82-D97 HydrophobicContact CG2-CB 3.81Å; I93-D97 HydrophobicContact CG2-CB 3.79Å; S94-D97 PolarHBondContact O-N 2.72Å; S94-D97 VanDerWaalsContact OG-CB 3.23Å; S94-D97 WeakPolarHBondContact OG-CB 3.3Å; S94-D97 PolarHBondContact OG-N 2.92Å; S94-D97 PolarHBondContact OG-OD2 3.43Å; D97-E100 PolarHBondContact O-N 3.4Å; D97-L101 WeakPolarHBondContact O-CG 3.25Å; D97-L101 PolarHBondContact O-N 2.93Å
98M97.4Very high95.1Very high39 Ų3953 Ų5319%0.19227%0.274CS..Hα-helixtrans-60.4-46.8175.2-1796279.300110.4I93 S94 E96 E100 L101 L102 M138I93-M98 HydrophobicContact CB-CE 4.11Å; I93-M98 HydrophobicContact CD1-CE 4.14Å; I93-M98 HydrophobicContact CG2-CB 4.01Å; I93-M98 HydrophobicContact CG2-CE 4.46Å; S94-M98 WeakPolarHBondContact O-CB 3.5Å; S94-M98 PolarHBondContact O-N 3.44Å; E96-M98 VanDerWaalsContact C-N 3.32Å; E96-M98 PolarHBondContact O-N 2.75Å; M98-E100 VanDerWaalsContact C-N 3.35Å; M98-E100 PolarHBondContact O-N 3.02Å; M98-L101 PolarHBondContact O-N 2.94Å; M98-L102 HydrophobicContact CG-CD1 4.11Å; M98-L102 HydrophobicContact CG-CG 4.39Å; M98-L102 WeakPolarHBondContact O-CB 3.36Å; M98-L102 VanDerWaalsContact O-CG 3.27Å; M98-L102 WeakPolarHBondContact O-CG 2.95Å; M98-L102 PolarHBondContact O-N 2.93Å; M98-L102 HydrophobicContact SD-CD1 4.42Å; M98-L102 HydrophobicContact SD-CG 4.25Å; M98-M138 HydrophobicContact CE-SD 4.01Å; M98-M138 HydrophobicContact SD-CG 3.9Å; M98-M138 HydrophobicContact SD-SD 3.73Å
99Q97.9Very high95.6Very high112 Ų11248.1 Ų48.152%0.52325%0.252SS..Hα-helixtrans-67-36.1177.417147.2-16.200112.5K95 E96 L101 L102 S103K95-Q99 PolarHBondContact O-N 3.07Å; E96-Q99 PolarHBondContact O-N 2.74Å; Q99-L101 PolarHBondContact O-N 3.4Å; Q99-L102 PolarHBondContact O-N 3.28Å; Q99-S103 VanDerWaalsContact O-CB 3.31Å; Q99-S103 WeakPolarHBondContact O-CB 3.38Å; Q99-S103 PolarHBondContact O-N 3.31Å; Q99-S103 PolarHBondContact O-OG 3.45Å
100E98.1Very high96.5Very high57 Ų5742.4 Ų42.427%0.26622%0.221SC..Hα-helixtrans-58.5-49.3172.2-170.5-178.1171.300111.1Y41 R80 E96 D97 M98 L102 S103 C104Y41-E100 HydrophobicContact CE1-CG 4.12Å; Y41-E100 WeakPolarHBondContact CE1-OE1 3.24Å; Y41-E100 PolarHBondContact OH-OE1 3.33Å; R80-E100 IonicContact NE-OE2 2.9Å; E96-E100 PolarHBondContact O-N 2.8Å; D97-E100 PolarHBondContact O-N 3.4Å; M98-E100 VanDerWaalsContact C-N 3.35Å; M98-E100 PolarHBondContact O-N 3.02Å; E100-L102 PolarHBondContact O-N 3.04Å; E100-S103 PolarHBondContact O-N 2.87Å; E100-S103 PolarHBondContact O-OG 3.04Å; E100-C104 VanDerWaalsContact O-CB 3.24Å; E100-C104 WeakPolarHBondContact O-CB 3.34Å; E100-C104 PolarHBondContact O-N 3.21Å
101L98.2Very high97.2Very high0 Ų037.9 Ų37.90%020%0.198CC..Hα-helixtrans-59-46.2178.2-73.3175.5000112.3L14 Y41 L43 I82 I93 D97 M98 Q99 T105L14-L101 HydrophobicContact CD1-CD2 3.91Å; L14-L101 HydrophobicContact CD2-CD2 4.37Å; Y41-L101 HydrophobicContact CD1-CD2 3.96Å; Y41-L101 HydrophobicContact CD2-CD2 3.9Å; Y41-L101 HydrophobicContact CG-CD2 3.59Å; L43-L101 HydrophobicContact CD2-CD1 4.27Å; I82-L101 HydrophobicContact CD1-CD1 3.88Å; I82-L101 HydrophobicContact CD1-CD2 3.63Å; I82-L101 HydrophobicContact CD1-CG 3.65Å; I93-L101 HydrophobicContact CD1-CD1 4.05Å; I93-L101 HydrophobicContact CG2-CD1 4.46Å; D97-L101 WeakPolarHBondContact O-CG 3.25Å; D97-L101 PolarHBondContact O-N 2.93Å; M98-L101 PolarHBondContact O-N 2.94Å; Q99-L101 PolarHBondContact O-N 3.4Å; L101-T105 VanDerWaalsContact O-CB 3.25Å; L101-T105 WeakPolarHBondContact O-CB 3.27Å; L101-T105 PolarHBondContact O-N 3.39Å; L101-T105 PolarHBondContact O-OG1 3.04Å
102L98.1Very high97.2Very high25 Ų2538.5 Ų38.513%0.13120%0.204CC..Hα-helixtrans-62.2-45.3-179.7-70.4179.4000111.5M98 Q99 E100 M138 Q141 M142 P143M98-L102 HydrophobicContact CG-CD1 4.11Å; M98-L102 HydrophobicContact CG-CG 4.39Å; M98-L102 WeakPolarHBondContact O-CB 3.36Å; M98-L102 VanDerWaalsContact O-CG 3.27Å; M98-L102 WeakPolarHBondContact O-CG 2.95Å; M98-L102 PolarHBondContact O-N 2.93Å; M98-L102 HydrophobicContact SD-CD1 4.42Å; M98-L102 HydrophobicContact SD-CG 4.25Å; Q99-L102 PolarHBondContact O-N 3.28Å; E100-L102 PolarHBondContact O-N 3.04Å; L102-M138 HydrophobicContact CD2-CG 3.93Å; L102-M138 WeakPolarHBondContact CD2-O 3.41Å; L102-Q141 HydrophobicContact CD2-CB 3.78Å; L102-M142 HydrophobicContact CD2-CE 4.35Å; L102-M142 HydrophobicContact CD2-CG 4Å; L102-M142 WeakPolarHBondContact O-CA 3.49Å; L102-P143 WeakPolarHBondContact O-CD 3.46Å
103S98.2Very high97.1Very high37 Ų3738.3 Ų38.326%0.25920%0.202SC..Hα-helixtrans-80.9-22.1-173.863.10000115.2Q99 E100 K144Q99-S103 VanDerWaalsContact O-CB 3.31Å; Q99-S103 WeakPolarHBondContact O-CB 3.38Å; Q99-S103 PolarHBondContact O-N 3.31Å; Q99-S103 PolarHBondContact O-OG 3.45Å; E100-S103 PolarHBondContact O-N 2.87Å; E100-S103 PolarHBondContact O-OG 3.04Å; S103-K144 WeakPolarHBondContact O-CD 3.21Å; S103-K144 WeakPolarHBondContact O-CE 3.36Å; S103-K144 PolarHBondContact O-NZ 2.92Å
104C98.2Very high96.8Very high23 Ų2337.9 Ų37.916%0.15520%0.201CC..Hα-helixtrans-112.4-29.1-169.7-650000114.9S12 Y41 E100 N106S12-C104 VanDerWaalsContact CB-O 3.26Å; S12-C104 WeakPolarHBondContact CB-O 3.4Å; Y41-C104 HydrophobicContact CE2-CB 4.22Å; E100-C104 VanDerWaalsContact O-CB 3.24Å; E100-C104 WeakPolarHBondContact O-CB 3.34Å; E100-C104 PolarHBondContact O-N 3.21Å; C104-N106 PolarHBondContact O-N 3.44Å; C104-N106 PolarHBondContact O-OD1 3.33Å
105T98.7Very high96.3Very high0 Ų039.3 Ų39.30%021%0.207CC..  trans-67.1126.4-169.4-57.40000112.6L14 L101 I108 M142 K144 L145L14-T105 HydrophobicContact CB-CG2 3.75Å; L101-T105 VanDerWaalsContact O-CB 3.25Å; L101-T105 WeakPolarHBondContact O-CB 3.27Å; L101-T105 PolarHBondContact O-N 3.39Å; L101-T105 PolarHBondContact O-OG1 3.04Å; T105-I108 HydrophobicContact CG2-CD1 4.49Å; T105-I108 HydrophobicContact CG2-CG1 3.8Å; T105-M142 HydrophobicContact CG2-CE 4.47Å; T105-M142 HydrophobicContact CG2-SD 3.88Å; T105-K144 CarbonylContact O-C 3.54Å; T105-L145 HydrophobicContact CG2-CD1 4.44Å; T105-L145 PolarHBondContact O-N 2.72Å
106N98.8Very high95.9Very high20 Ų2036.9 Ų36.911%0.10719%0.193CC..  trans-98.2-37.4174.1-62.6103.5000112.6K11 S12 C104 K144 E146K11-N106 HydrophobicContact CB-CB 4.17Å; K11-N106 HydrophobicContact CD-CB 3.94Å; S12-N106 PolarHBondContact N-OD1 2.92Å; S12-N106 WeakPolarHBondContact O-CB 3.28Å; S12-N106 PolarHBondContact O-N 2.95Å; C104-N106 PolarHBondContact O-N 3.44Å; C104-N106 PolarHBondContact O-OD1 3.33Å; N106-K144 WeakPolarHBondContact CA-O 3.33Å; N106-K144 PolarHBondContact ND2-O 2.87Å; N106-E146 PolarHBondContact ND2-OE1 3.19Å; N106-E146 PolarHBondContact O-N 2.97Å
107I98.8Very high95.4Very high0 Ų032.6 Ų32.60%017%0.173CC..EExtended strand (participates in β ladder)trans-136137.3-175-52.4-67.7000109.6F7 Y8 S12 I13 L14 F109 E146 A147 A293F7-I107 HydrophobicContact CE1-CD1 4.13Å; F7-I107 HydrophobicContact CE1-CG1 4.47Å; F7-I107 HydrophobicContact CZ-CD1 3.71Å; F7-I107 HydrophobicContact CZ-CG1 4.39Å; Y8-I107 HydrophobicContact CE1-CG1 4.25Å; Y8-I107 HydrophobicContact CE1-CG2 4.4Å; S12-I107 PolarHBondContact O-N 3.01Å; I13-I107 CarbonylContact C-O 3.47Å; I13-I107 WeakPolarHBondContact CA-O 3.45Å; I13-I107 HydrophobicContact CG1-CB 4.4Å; I13-I107 HydrophobicContact CG2-CB 4.4Å; L14-I107 PolarHBondContact N-O 3.32Å; I107-F109 HydrophobicContact CG2-CD2 4.08Å; I107-F109 HydrophobicContact CG2-CE2 3.64Å; I107-F109 HydrophobicContact CG2-CZ 4.07Å; I107-E146 HydrophobicContact CD1-CB 3.92Å; I107-A147 WeakPolarHBondContact CA-O 3.37Å; I107-A147 HydrophobicContact CD1-CB 3.84Å; I107-A293 HydrophobicContact CD1-CB 4.31Å
108I98.8Very high95Very high0 Ų035.7 Ų35.70%019%0.189CC..EExtended strand (participates in β ladder)trans-113.6129.2172.3-63.2174.5000109.8L14 T105 L135 A139 M142 L145 A147 F148 I149L14-I108 HydrophobicContact CB-CG1 4.14Å; L14-I108 HydrophobicContact CD2-CD1 4.3Å; L14-I108 HydrophobicContact CD2-CG1 4.17Å; L14-I108 CarbonylContact O-C 3.57Å; L14-I108 WeakPolarHBondContact O-CA 3.32Å; T105-I108 HydrophobicContact CG2-CD1 4.49Å; T105-I108 HydrophobicContact CG2-CG1 3.8Å; I108-L135 HydrophobicContact CG2-CD2 4.13Å; I108-A139 HydrophobicContact CD1-CB 3.71Å; I108-M142 HydrophobicContact CD1-CE 4.05Å; I108-M142 HydrophobicContact CD1-SD 3.69Å; I108-M142 HydrophobicContact CG1-SD 4.43Å; I108-L145 HydrophobicContact CD1-CD1 3.96Å; I108-L145 HydrophobicContact CD1-CD2 4.31Å; I108-L145 HydrophobicContact CG1-CD1 3.81Å; I108-A147 PolarHBondContact N-O 3.19Å; I108-F148 HydrophobicContact CB-CD2 3.88Å; I108-F148 HydrophobicContact CB-CE2 4.34Å; I108-F148 HydrophobicContact CB-CG 4.37Å; I108-F148 HydrophobicContact CD1-CD2 3.78Å; I108-F148 HydrophobicContact CD1-CE2 4.11Å; I108-F148 HydrophobicContact CG1-CD2 4.39Å; I108-F148 HydrophobicContact CG2-CD2 3.89Å; I108-F148 HydrophobicContact CG2-CE2 3.84Å; I108-F148 HydrophobicContact CG2-CZ 4.41Å; I108-I149 PolarHBondContact O-N 3.02Å
109F98.8Very high94.7Very high0 Ų034.6 Ų34.60%018%0.184CC..EExtended strand (participates in β ladder)trans-110.8105.8163.6-68.9-80.2000109.9Y8 I13 L14 I15 T16 L26 I107 C111 I149 M285 L286Y8-F109 HydrophobicContact CE1-CE2 4.18Å; Y8-F109 HydrophobicContact CE1-CZ 4.27Å; Y8-F109 WeakPolarHBondContact OH-CZ 3.43Å; I13-F109 HydrophobicContact CG2-CD2 3.68Å; I13-F109 HydrophobicContact CG2-CE2 3.96Å; L14-F109 PolarHBondContact O-N 2.92Å; I15-F109 WeakPolarHBondContact CA-O 3.23Å; I15-F109 HydrophobicContact CG1-CB 4.34Å; I15-F109 HydrophobicContact CG1-CD2 4.44Å; T16-F109 PolarHBondContact N-O 3.48Å; L26-F109 HydrophobicContact CD2-CB 3.68Å; L26-F109 HydrophobicContact CD2-CD1 4.16Å; L26-F109 HydrophobicContact CD2-CD2 3.89Å; L26-F109 HydrophobicContact CD2-CG 3.65Å; I107-F109 HydrophobicContact CG2-CD2 4.08Å; I107-F109 HydrophobicContact CG2-CE2 3.64Å; I107-F109 HydrophobicContact CG2-CZ 4.07Å; F109-C111 PolarHBondContact O-N 3.2Å; F109-I149 HydrophobicContact CD1-CB 3.65Å; F109-I149 HydrophobicContact CD1-CG1 4.04Å; F109-I149 HydrophobicContact CD1-CG2 3.89Å; F109-I149 HydrophobicContact CE1-CB 3.88Å; F109-I149 HydrophobicContact CE1-CG1 3.79Å; F109-I149 HydrophobicContact CE1-CG2 4.03Å; F109-I149 HydrophobicContact CZ-CG1 4.5Å; F109-M285 HydrophobicContact CD1-CE 3.91Å; F109-M285 HydrophobicContact CE1-CB 4.11Å; F109-M285 HydrophobicContact CE1-CE 4.49Å; F109-M285 WeakPolarHBondContact CE1-O 3.38Å; F109-L286 HydrophobicContact CE2-CD2 4.3Å; F109-L286 HydrophobicContact CZ-CD2 3.87Å
110H98.4Very high94.5Very high1 Ų132.4 Ų32.41%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-88.588.7178.9-171.342.9000110.6T16 T132 L135 F148 I149 H150 I151T16-H110 WeakPolarHBondContact OG1-CA 3.22Å; T16-H110 PolarHBondContact OG1-CE1 3.28Å; T16-H110 PolarHBondContact OG1-ND1 2.87Å; H110-T132 PolarHBondContact NE2-OG1 2.65Å; H110-T132 VanDerWaalsContact NE2-OG1 3.16Å; H110-L135 HydrophobicContact CB-CD2 3.9Å; H110-L135 VanDerWaalsContact ND1-CD2 3.32Å; H110-L135 WeakPolarHBondContact ND1-CD2 3.3Å; H110-F148 HydrophobicContact CB-CE1 4.17Å; H110-F148 HydrophobicContact CB-CZ 4.06Å; H110-I149 PolarHBondContact N-O 3.22Å; H110-H150 AromaticContact CD2-CE1 3.71Å; H110-H150 AromaticContact CD2-ND1 3.38Å; H110-H150 PolarHBondContact CD2-ND1 3.14Å; H110-I151 PolarHBondContact O-N 2.79Å
111C97.3Very high94.4Very high23 Ų2329.7 Ų29.716%0.15517%0.165CC..  trans-102.7-9.6179.8-48.90000113.6T16 F109 A113 I151T16-C111 VanDerWaalsContact O-CB 3.25Å; T16-C111 WeakPolarHBondContact O-CB 3.47Å; T16-C111 PolarHBondContact O-N 3.07Å; T16-C111 PolarHBondContact OG1-N 3.34Å; F109-C111 PolarHBondContact O-N 3.2Å; C111-A113 PolarHBondContact O-N 3.13Å; C111-I151 HydrophobicContact CB-CG1 4.38Å
112A92.8Very high94.3Very high17 Ų1733.1 Ų33.114%0.1418%0.179CC..  trans-67.3124.6178.900000110.9T16 L86T16-A112 PolarHBondContact O-N 2.99Å; T16-A112 WeakPolarHBondContact OG1-CB 3.49Å; T16-A112 PolarHBondContact OG1-N 3.33Å; L86-A112 HydrophobicContact CD1-CB 3.46Å; L86-A112 VanDerWaalsContact CD1-CB 3.46Å
113A91.1Very high94.1Very high40 Ų4034.8 Ų34.833%0.33119%0.186SC..  trans-156.5155172.500000109.6C111 N128C111-A113 PolarHBondContact O-N 3.13Å; A113-N128 VanDerWaalsContact CA-OD1 3.23Å; A113-N128 WeakPolarHBondContact CA-OD1 3.42Å; A113-N128 WeakPolarHBondContact CB-OD1 3.22Å
114T88.9Confident94Very high12 Ų1233.1 Ų33.17%0.07417%0.174CC..  trans-81.9132.4155.7-176.70000108.8D119 A124 L127 N128 Y204T114-D119 WeakPolarHBondContact CB-OD2 3.18Å; T114-D119 WeakPolarHBondContact CG2-OD2 3.31Å; T114-D119 PolarHBondContact OG1-OD2 2.88Å; T114-A124 HydrophobicContact CG2-CB 3.94Å; T114-L127 HydrophobicContact CG2-CB 4.46Å; T114-L127 HydrophobicContact CG2-CD1 4.42Å; T114-N128 PolarHBondContact N-OD1 2.89Å; T114-N128 PolarHBondContact O-ND2 2.79Å; T114-Y204 WeakPolarHBondContact O-CD2 3.49Å; T114-Y204 WeakPolarHBondContact O-CE2 3.49Å
115V85.3Confident93.9Very high71 Ų7132.2 Ų32.243%0.4317%0.167SC..  trans-111.411.1179-59.80000112.2Y204V115-Y204 HydrophobicContact CB-CD2 4.46Å; V115-Y204 HydrophobicContact CB-CE2 4.15Å; V115-Y204 HydrophobicContact CG1-CE2 3.87Å
116R86.7Confident93.8Very high133 Ų13334.2 Ų34.250%0.50218%0.177SC..  trans-81.7128.1-176.9-71.4-17765.3-169.7-2.3110.1D118 D119R116-D118 VanDerWaalsContact C-N 3.28Å; R116-D118 IonicContact CZ-OD1 2.84Å; R116-D118 IonicContact NE-OD1 2.8Å; R116-D118 PolarHBondContact NE-OD1 3.26Å; R116-D118 VanDerWaalsContact NH2-CG 3.35Å; R116-D118 IonicContact NH2-OD1 2.75Å; R116-D118 PolarHBondContact NH2-OD1 3.08Å; R116-D118 VanDerWaalsContact NH2-OD1 3.09Å; R116-D118 IonicContact NH2-OD2 2.7Å; R116-D118 PolarHBondContact NH2-OD2 3.25Å; R116-D118 VanDerWaalsContact NH2-OD2 3.09Å; R116-D119 HydrophobicContact CB-CB 4Å
117F87.2Confident93.6Very high50 Ų5034 Ų3422%0.21918%0.175CC..THydrogen-bonded Turntrans-78.2-19.1176.6-62.3-5.2000112.3N202 Y204 M390 L391 F394F117-N202 HydrophobicContact CB-CB 4.11Å; F117-N202 HydrophobicContact CG-CB 4.27Å; F117-Y204 HydrophobicContact CD1-CD1 4.13Å; F117-Y204 HydrophobicContact CD1-CG 4.18Å; F117-Y204 AromaticContact CE1-CD1 3.51Å; F117-Y204 HydrophobicContact CE1-CD1 3.51Å; F117-Y204 HydrophobicContact CE1-CE1 4.27Å; F117-Y204 AromaticContact CE1-CG 3.99Å; F117-Y204 HydrophobicContact CE1-CG 3.99Å; F117-Y204 HydrophobicContact CZ-CD1 4.48Å; F117-M390 HydrophobicContact CB-CB 4.48Å; F117-M390 HydrophobicContact CB-SD 4.03Å; F117-M390 HydrophobicContact CD2-CB 4.13Å; F117-L391 HydrophobicContact CD2-CD2 4.28Å; F117-L391 HydrophobicContact CE2-CD2 3.69Å; F117-F394 HydrophobicContact CD2-CE2 4.39Å; F117-F394 AromaticContact CE2-CD2 3.97Å; F117-F394 HydrophobicContact CE2-CD2 3.97Å; F117-F394 AromaticContact CE2-CE2 3.49Å; F117-F394 HydrophobicContact CE2-CE2 3.49Å; F117-F394 VanDerWaalsContact CE2-CE2 3.49Å; F117-F394 HydrophobicContact CE2-CZ 4.45Å; F117-F394 HydrophobicContact CZ-CD2 4.36Å; F117-F394 AromaticContact CZ-CE2 3.73Å; F117-F394 HydrophobicContact CZ-CE2 3.73Å; F117-F394 HydrophobicContact CZ-CZ 4.3Å
118D87.3Confident93.5Very high89 Ų8934 Ų3448%0.47618%0.176SC..THydrogen-bonded Turntrans-102.820.9179.470.7-26.2000113R116 M390R116-D118 VanDerWaalsContact C-N 3.28Å; R116-D118 IonicContact CZ-OD1 2.84Å; R116-D118 IonicContact NE-OD1 2.8Å; R116-D118 PolarHBondContact NE-OD1 3.26Å; R116-D118 VanDerWaalsContact NH2-CG 3.35Å; R116-D118 IonicContact NH2-OD1 2.75Å; R116-D118 PolarHBondContact NH2-OD1 3.08Å; R116-D118 VanDerWaalsContact NH2-OD1 3.09Å; R116-D118 IonicContact NH2-OD2 2.7Å; R116-D118 PolarHBondContact NH2-OD2 3.25Å; R116-D118 VanDerWaalsContact NH2-OD2 3.09Å; D118-M390 HydrophobicContact CB-CE 4.42Å; D118-M390 HydrophobicContact CB-SD 4.01Å
119D91.4Very high93.4Very high17 Ų1734 Ų349%0.09118%0.176CC..SBendtrans-76.8160.8176-142.2-21.4000111.4T114 R116 H123 I203T114-D119 WeakPolarHBondContact CB-OD2 3.18Å; T114-D119 WeakPolarHBondContact CG2-OD2 3.31Å; T114-D119 PolarHBondContact OG1-OD2 2.88Å; R116-D119 HydrophobicContact CB-CB 4Å; D119-H123 IonicContact OD1-CE1 3.19Å; D119-H123 IonicContact OD1-CG 2.82Å; D119-H123 IonicContact OD1-ND1 3.51Å; D119-H123 PolarHBondContact OD1-ND1 3.49Å; D119-H123 IonicContact OD2-CE1 2.79Å; D119-H123 PolarHBondContact OD2-CE1 3.35Å; D119-H123 IonicContact OD2-ND1 3.57Å; D119-H123 PolarHBondContact OD2-ND1 3.04Å; D119-I203 WeakPolarHBondContact O-CD1 3.39Å
120T94.7Very high93.3Very high65 Ų6534.7 Ų34.740%0.39918%0.18SC..  trans-77.1150.4172680000110.1R122 H123 A124T120-R122 VanDerWaalsContact C-N 3.31Å; T120-R122 PolarHBondContact O-N 2.91Å; T120-H123 PolarHBondContact O-N 3.05Å; T120-H123 WeakPolarHBondContact OG1-CB 3.23Å; T120-H123 PolarHBondContact OG1-N 3.3Å; T120-A124 WeakPolarHBondContact O-CB 3.46Å; T120-A124 PolarHBondContact O-N 3.47Å
121L95.6Very high93.2Very high0 Ų034.7 Ų34.70%018%0.18CC..Hα-helixtrans-59.6-43.6179.6179.665000111.4H123 A124 V125 L181 I189 T193 L196 I203 Y206 T207L121-H123 PolarHBondContact O-N 2.81Å; L121-A124 PolarHBondContact O-N 2.9Å; L121-V125 HydrophobicContact CD1-CG2 3.88Å; L121-V125 HydrophobicContact CG-CG2 4.25Å; L121-V125 WeakPolarHBondContact O-CB 3.33Å; L121-V125 WeakPolarHBondContact O-CG2 3.49Å; L121-V125 PolarHBondContact O-N 3Å; L121-L181 HydrophobicContact CD2-CD1 4.42Å; L121-L181 HydrophobicContact CD2-CD2 3.99Å; L121-L181 HydrophobicContact CG-CD1 4.15Å; L121-L181 HydrophobicContact CG-CD2 4.36Å; L121-I189 HydrophobicContact CB-CG2 3.83Å; L121-I189 HydrophobicContact CD2-CG2 4.1Å; L121-I189 HydrophobicContact CG-CG2 4.43Å; L121-T193 HydrophobicContact CB-CG2 4.42Å; L121-T193 WeakPolarHBondContact CD2-OG1 3.21Å; L121-L196 HydrophobicContact CD2-CD2 3.5Å; L121-I203 HydrophobicContact CD1-CG2 4.04Å; L121-Y206 HydrophobicContact CD1-CD1 4.25Å; L121-Y206 HydrophobicContact CD1-CE1 4.24Å; L121-T207 HydrophobicContact CD1-CG2 4.4Å
122R95.1Very high93.2Very high73 Ų7333.6 Ų33.628%0.27517%0.173SC..Hα-helixtrans-55.2-53.1176.9-177-168.5-60-77.1-2.8112.1T120 A124 V125 Q126 L181 L184 D186T120-R122 VanDerWaalsContact C-N 3.31Å; T120-R122 PolarHBondContact O-N 2.91Å; R122-A124 VanDerWaalsContact C-N 3.34Å; R122-A124 PolarHBondContact O-N 3.08Å; R122-V125 PolarHBondContact O-N 3.3Å; R122-Q126 WeakPolarHBondContact O-CB 3.16Å; R122-Q126 PolarHBondContact O-N 3.05Å; R122-L181 PolarHBondContact NH1-O 3.29Å; R122-L181 PolarHBondContact NH2-O 3.2Å; R122-L184 PolarHBondContact NH2-O 3.47Å; R122-D186 IonicContact CZ-OD1 3.47Å; R122-D186 VanDerWaalsContact CZ-OD1 3.24Å; R122-D186 IonicContact NE-OD1 3.26Å; R122-D186 PolarHBondContact NE-OD1 2.81Å; R122-D186 IonicContact NH2-OD1 2.79Å; R122-D186 PolarHBondContact NH2-OD1 3.23Å
123H94.7Very high93.3Very high60 Ų6037.2 Ų37.228%0.27818%0.182SC..Hα-helixtrans-65.8-39.6-177.4178.5-110.1000111.6D119 T120 L121 Q126 L127D119-H123 IonicContact OD1-CE1 3.19Å; D119-H123 IonicContact OD1-CG 2.82Å; D119-H123 IonicContact OD1-ND1 3.51Å; D119-H123 PolarHBondContact OD1-ND1 3.49Å; D119-H123 IonicContact OD2-CE1 2.79Å; D119-H123 PolarHBondContact OD2-CE1 3.35Å; D119-H123 IonicContact OD2-ND1 3.57Å; D119-H123 PolarHBondContact OD2-ND1 3.04Å; T120-H123 PolarHBondContact O-N 3.05Å; T120-H123 WeakPolarHBondContact OG1-CB 3.23Å; T120-H123 PolarHBondContact OG1-N 3.3Å; L121-H123 PolarHBondContact O-N 2.81Å; H123-Q126 PolarHBondContact O-N 3.36Å; H123-L127 VanDerWaalsContact CE1-CD1 3.4Å; H123-L127 WeakPolarHBondContact CE1-CD1 3.4Å; H123-L127 WeakPolarHBondContact NE2-CD1 3.28Å; H123-L127 PolarHBondContact O-N 3.16Å; H123-L127 VanDerWaalsContact O-N 3.08Å
124A95.9Very high93.6Very high1 Ų136.7 Ų36.71%0.00817%0.173CC..Hα-helixtrans-67.4-41.2177.400000113T114 T120 L121 R122 N128 I203 T207T114-A124 HydrophobicContact CG2-CB 3.94Å; T120-A124 WeakPolarHBondContact O-CB 3.46Å; T120-A124 PolarHBondContact O-N 3.47Å; L121-A124 PolarHBondContact O-N 2.9Å; R122-A124 VanDerWaalsContact C-N 3.34Å; R122-A124 PolarHBondContact O-N 3.08Å; A124-N128 VanDerWaalsContact O-CB 3.26Å; A124-N128 WeakPolarHBondContact O-CB 3.45Å; A124-N128 PolarHBondContact O-N 2.9Å; A124-I203 HydrophobicContact CB-CG2 3.39Å; A124-T207 HydrophobicContact CB-CG2 3.85Å
125V96.4Very high93.9Very high4 Ų436.1 Ų36.12%0.02417%0.17CC..Hα-helixtrans-64.9-44.6174.5170.10000110.4L121 R122 L127 V129 T130 I177 I178 L181 T207L121-V125 HydrophobicContact CD1-CG2 3.88Å; L121-V125 HydrophobicContact CG-CG2 4.25Å; L121-V125 WeakPolarHBondContact O-CB 3.33Å; L121-V125 WeakPolarHBondContact O-CG2 3.49Å; L121-V125 PolarHBondContact O-N 3Å; R122-V125 PolarHBondContact O-N 3.3Å; V125-L127 PolarHBondContact O-N 2.87Å; V125-V129 HydrophobicContact CG1-CB 4.12Å; V125-V129 HydrophobicContact CG1-CG2 4.34Å; V125-V129 WeakPolarHBondContact O-CA 3.18Å; V125-V129 WeakPolarHBondContact O-CB 3.06Å; V125-V129 PolarHBondContact O-N 3.19Å; V125-T130 PolarHBondContact O-N 2.89Å; V125-I177 HydrophobicContact CG1-CG2 4.49Å; V125-I177 HydrophobicContact CG2-CG2 4.17Å; V125-I178 HydrophobicContact CG1-CG1 3.96Å; V125-L181 HydrophobicContact CB-CD1 3.72Å; V125-L181 HydrophobicContact CG1-CD1 3.89Å; V125-L181 HydrophobicContact CG2-CD1 3.65Å; V125-T207 HydrophobicContact CG2-CG2 3.78Å
126Q95.6Very high94.5Very high43 Ų4332.8 Ų32.820%0.20115%0.15CC..Iπ-helixtrans-54.9-52.1177.1178.957.235.600111.7L86 N87 R122 H123 T130 A131L86-Q126 PolarHBondContact O-NE2 3.39Å; N87-Q126 HydrophobicContact CB-CG 4.47Å; R122-Q126 WeakPolarHBondContact O-CB 3.16Å; R122-Q126 PolarHBondContact O-N 3.05Å; H123-Q126 PolarHBondContact O-N 3.36Å; Q126-T130 WeakPolarHBondContact O-CB 3.42Å; Q126-T130 PolarHBondContact O-N 3.26Å; Q126-A131 WeakPolarHBondContact O-CB 3.43Å; Q126-A131 PolarHBondContact O-N 3.37Å
127L95.2Very high94.9Very high14 Ų1428.4 Ų28.47%0.07314%0.136CC..Iπ-helixtrans-76.3-41.9-175.6-75.1-179.1000114.3L86 N87 T114 H123 V125L86-L127 HydrophobicContact CB-CD2 3.76Å; N87-L127 WeakPolarHBondContact OD1-CD2 3.37Å; N87-L127 WeakPolarHBondContact OD1-CG 3.24Å; T114-L127 HydrophobicContact CG2-CB 4.46Å; T114-L127 HydrophobicContact CG2-CD1 4.42Å; H123-L127 VanDerWaalsContact CE1-CD1 3.4Å; H123-L127 WeakPolarHBondContact CE1-CD1 3.4Å; H123-L127 WeakPolarHBondContact NE2-CD1 3.28Å; H123-L127 PolarHBondContact O-N 3.16Å; H123-L127 VanDerWaalsContact O-N 3.08Å; V125-L127 PolarHBondContact O-N 2.87Å
128N97Very high95.3Very high1 Ų126.5 Ų26.51%0.00513%0.128CC..Iπ-helixtrans-91.1-20.2-172-65.7-11.5000112.8A113 T114 A124 T132 T207A113-N128 VanDerWaalsContact CA-OD1 3.23Å; A113-N128 WeakPolarHBondContact CA-OD1 3.42Å; A113-N128 WeakPolarHBondContact CB-OD1 3.22Å; T114-N128 PolarHBondContact N-OD1 2.89Å; T114-N128 PolarHBondContact O-ND2 2.79Å; A124-N128 VanDerWaalsContact O-CB 3.26Å; A124-N128 WeakPolarHBondContact O-CB 3.45Å; A124-N128 PolarHBondContact O-N 2.9Å; N128-T132 PolarHBondContact O-OG1 2.93Å; N128-T207 PolarHBondContact ND2-OG1 3.07Å
129V96.8Very high95.8Very high0 Ų022.3 Ų22.30%011%0.105CC..Iπ-helixtrans-119.1-61-172.7-167.90000110.8V125 T132 R133 P174 I178 L210 V214V125-V129 HydrophobicContact CG1-CB 4.12Å; V125-V129 HydrophobicContact CG1-CG2 4.34Å; V125-V129 WeakPolarHBondContact O-CA 3.18Å; V125-V129 WeakPolarHBondContact O-CB 3.06Å; V125-V129 PolarHBondContact O-N 3.19Å; V129-T132 WeakPolarHBondContact O-CB 3.4Å; V129-T132 PolarHBondContact O-N 3.36Å; V129-R133 PolarHBondContact O-N 3.5Å; V129-P174 HydrophobicContact CG1-CB 4.07Å; V129-I178 HydrophobicContact CG1-CD1 4.1Å; V129-L210 HydrophobicContact CG1-CB 4.22Å; V129-L210 HydrophobicContact CG2-CB 3.67Å; V129-L210 HydrophobicContact CG2-CD1 4.32Å; V129-V214 HydrophobicContact CG1-CG2 3.53Å
130T96.1Very high96Very high15 Ų1523.5 Ų23.59%0.09212%0.115CC..Iπ-helixtrans-64.5-46.8-177.1-530000111.8V125 Q126 T132 R133 Q134V125-T130 PolarHBondContact O-N 2.89Å; Q126-T130 WeakPolarHBondContact O-CB 3.42Å; Q126-T130 PolarHBondContact O-N 3.26Å; T130-T132 VanDerWaalsContact C-N 3.32Å; T130-T132 PolarHBondContact O-N 3Å; T130-R133 WeakPolarHBondContact O-CB 3.2Å; T130-R133 PolarHBondContact O-N 3.24Å; T130-Q134 WeakPolarHBondContact O-CG 3.43Å; T130-Q134 PolarHBondContact O-N 3.42Å
131A96.3Very high96.1Very high0 Ų026.3 Ų26.30%012%0.124CC..Hα-helixtrans-65.6-36.1177.700000112.2L86 F91 Q126 R133 Q134 L135L86-A131 HydrophobicContact CB-CB 3.93Å; F91-A131 HydrophobicContact CE1-CB 4Å; F91-A131 WeakPolarHBondContact CZ-O 3.42Å; Q126-A131 WeakPolarHBondContact O-CB 3.43Å; Q126-A131 PolarHBondContact O-N 3.37Å; A131-R133 VanDerWaalsContact C-N 3.33Å; A131-R133 PolarHBondContact O-N 2.91Å; A131-Q134 PolarHBondContact O-N 3.25Å; A131-L135 WeakPolarHBondContact O-CB 3.48Å; A131-L135 PolarHBondContact O-N 2.73Å
132T96.9Very high96.2Very high1 Ų126.9 Ų26.91%0.00613%0.126CC..Hα-helixtrans-59.3-46.6172.1-57.60000110.5H110 N128 V129 T130 L135 L136 V214 V215H110-T132 PolarHBondContact NE2-OG1 2.65Å; H110-T132 VanDerWaalsContact NE2-OG1 3.16Å; N128-T132 PolarHBondContact O-OG1 2.93Å; V129-T132 WeakPolarHBondContact O-CB 3.4Å; V129-T132 PolarHBondContact O-N 3.36Å; T130-T132 VanDerWaalsContact C-N 3.32Å; T130-T132 PolarHBondContact O-N 3Å; T132-L135 PolarHBondContact O-N 2.91Å; T132-L136 HydrophobicContact CG2-CD1 4.09Å; T132-L136 WeakPolarHBondContact O-CG 3.27Å; T132-L136 PolarHBondContact O-N 3.28Å; T132-V214 HydrophobicContact CG2-CG1 4.37Å; T132-V215 HydrophobicContact CG2-CG2 3.82Å
133R96.1Very high96.2Very high92 Ų9228.8 Ų28.835%0.34715%0.148SC..Hα-helixtrans-59.3-51.1176.7-178.7165.5-179.5-85.2-10.9111.9V129 T130 A131 L135 L136 L137 V214 E218V129-R133 PolarHBondContact O-N 3.5Å; T130-R133 WeakPolarHBondContact O-CB 3.2Å; T130-R133 PolarHBondContact O-N 3.24Å; A131-R133 VanDerWaalsContact C-N 3.33Å; A131-R133 PolarHBondContact O-N 2.91Å; R133-L135 VanDerWaalsContact C-N 3.26Å; R133-L135 PolarHBondContact O-N 3.46Å; R133-L136 PolarHBondContact O-N 3.21Å; R133-L137 HydrophobicContact CG-CD1 4.28Å; R133-L137 WeakPolarHBondContact O-CG 3.26Å; R133-L137 PolarHBondContact O-N 2.98Å; R133-V214 HydrophobicContact CB-CG1 3.55Å; R133-V214 HydrophobicContact CG-CG1 4.21Å; R133-E218 HydrophobicContact CG-CG 4.13Å; R133-E218 IonicContact CZ-OE1 2.89Å; R133-E218 IonicContact NE-OE1 3.63Å; R133-E218 PolarHBondContact NE-OE1 3.38Å; R133-E218 IonicContact NH2-OE1 3.33Å; R133-E218 PolarHBondContact NH2-OE1 3.03Å
134Q95.6Very high96.4Very high29 Ų2931 Ų3114%0.13616%0.157CC..Hα-helixtrans-59-39.5178.7-73.7170.3-28.800111.5N89 F91 T130 A131 L137 M138N89-Q134 PolarHBondContact OD1-NE2 2.85Å; F91-Q134 HydrophobicContact CE1-CB 3.69Å; F91-Q134 VanDerWaalsContact CE1-OE1 3.3Å; F91-Q134 HydrophobicContact CE2-CB 4.39Å; F91-Q134 HydrophobicContact CZ-CB 3.5Å; T130-Q134 WeakPolarHBondContact O-CG 3.43Å; T130-Q134 PolarHBondContact O-N 3.42Å; A131-Q134 PolarHBondContact O-N 3.25Å; Q134-L137 PolarHBondContact O-N 3.03Å; Q134-M138 WeakPolarHBondContact O-CB 3.44Å; Q134-M138 PolarHBondContact O-N 3.32Å
135L96.8Very high96.5Very high1 Ų132.1 Ų32.11%0.00516%0.163CC..Hα-helixtrans-68.4-36.9178.8-170.467.2000112L14 T16 F91 I108 H110 A131 T132 R133 M138 A139 F148L14-L135 HydrophobicContact CD2-CD1 4.32Å; T16-L135 HydrophobicContact CG2-CD1 4.45Å; T16-L135 HydrophobicContact CG2-CD2 3.68Å; F91-L135 HydrophobicContact CE2-CB 4.13Å; F91-L135 HydrophobicContact CE2-CD1 3.88Å; F91-L135 HydrophobicContact CZ-CB 3.93Å; F91-L135 HydrophobicContact CZ-CD1 4.47Å; I108-L135 HydrophobicContact CG2-CD2 4.13Å; H110-L135 HydrophobicContact CB-CD2 3.9Å; H110-L135 VanDerWaalsContact ND1-CD2 3.32Å; H110-L135 WeakPolarHBondContact ND1-CD2 3.3Å; A131-L135 WeakPolarHBondContact O-CB 3.48Å; A131-L135 PolarHBondContact O-N 2.73Å; T132-L135 PolarHBondContact O-N 2.91Å; R133-L135 VanDerWaalsContact C-N 3.26Å; R133-L135 PolarHBondContact O-N 3.46Å; L135-M138 HydrophobicContact CD1-CE 3.47Å; L135-M138 VanDerWaalsContact CD1-CE 3.47Å; L135-M138 HydrophobicContact CD1-SD 4.37Å; L135-M138 PolarHBondContact O-N 3.33Å; L135-A139 WeakPolarHBondContact O-CB 3.49Å; L135-A139 PolarHBondContact O-N 3.46Å; L135-F148 HydrophobicContact CD2-CE2 3.98Å; L135-F148 HydrophobicContact CD2-CZ 3.92Å; L135-F148 HydrophobicContact CG-CE2 3.9Å; L135-F148 HydrophobicContact CG-CZ 4.21Å
136L97.1Very high96.6Very high1 Ų133.7 Ų33.71%0.00517%0.17CC..Hα-helixtrans-66-40.5173.6-71.9160.3000111.7T132 R133 A139 S140 F148 V214 V215 E218 L222 I224T132-L136 HydrophobicContact CG2-CD1 4.09Å; T132-L136 WeakPolarHBondContact O-CG 3.27Å; T132-L136 PolarHBondContact O-N 3.28Å; R133-L136 PolarHBondContact O-N 3.21Å; L136-A139 WeakPolarHBondContact O-CB 3.49Å; L136-A139 PolarHBondContact O-N 3.01Å; L136-S140 PolarHBondContact O-N 3.14Å; L136-F148 HydrophobicContact CD2-CD1 4.02Å; L136-F148 HydrophobicContact CD2-CD2 4.12Å; L136-F148 HydrophobicContact CD2-CE1 3.77Å; L136-F148 HydrophobicContact CD2-CE2 3.85Å; L136-F148 HydrophobicContact CD2-CG 4.21Å; L136-F148 HydrophobicContact CD2-CZ 3.68Å; L136-F148 HydrophobicContact CG-CE1 4.39Å; L136-F148 HydrophobicContact CG-CE2 4.26Å; L136-F148 HydrophobicContact CG-CZ 3.96Å; L136-V214 HydrophobicContact CD1-CG1 4.06Å; L136-V215 HydrophobicContact CD1-CB 4.4Å; L136-V215 HydrophobicContact CD1-CG2 4.03Å; L136-E218 HydrophobicContact CB-CB 4.11Å; L136-E218 HydrophobicContact CD1-CB 4.04Å; L136-L222 HydrophobicContact CD2-CD1 4.22Å; L136-I224 HydrophobicContact CD2-CD1 3.8Å
137L95.4Very high96.8Very high41 Ų4131.7 Ų31.722%0.21516%0.161CC..Hα-helixtrans-64.3-40.6174.8-66.5173.8000111.8R133 Q134 S140 Q141 R220R133-L137 HydrophobicContact CG-CD1 4.28Å; R133-L137 WeakPolarHBondContact O-CG 3.26Å; R133-L137 PolarHBondContact O-N 2.98Å; Q134-L137 PolarHBondContact O-N 3.03Å; L137-S140 PolarHBondContact O-N 2.91Å; L137-S140 PolarHBondContact O-OG 2.73Å; L137-Q141 PolarHBondContact O-NE2 3.3Å; L137-Q141 VanDerWaalsContact O-NE2 3.14Å; L137-R220 VanDerWaalsContact CD2-NH2 3.32Å
138M95.4Very high96.9Very high10 Ų1031 Ų315%0.04916%0.157CC..Hα-helixtrans-63.5-45.8172.2-171.6-175.591.600111.2L14 F91 M98 L102 Q134 L135 S140 Q141 M142L14-M138 HydrophobicContact CD2-CE 3.65Å; F91-M138 HydrophobicContact CD2-SD 4.35Å; F91-M138 HydrophobicContact CE2-SD 4.27Å; M98-M138 HydrophobicContact CE-SD 4.01Å; M98-M138 HydrophobicContact SD-CG 3.9Å; M98-M138 HydrophobicContact SD-SD 3.73Å; L102-M138 HydrophobicContact CD2-CG 3.93Å; L102-M138 WeakPolarHBondContact CD2-O 3.41Å; Q134-M138 WeakPolarHBondContact O-CB 3.44Å; Q134-M138 PolarHBondContact O-N 3.32Å; L135-M138 HydrophobicContact CD1-CE 3.47Å; L135-M138 VanDerWaalsContact CD1-CE 3.47Å; L135-M138 HydrophobicContact CD1-SD 4.37Å; L135-M138 PolarHBondContact O-N 3.33Å; M138-S140 VanDerWaalsContact C-N 3.27Å; M138-S140 PolarHBondContact O-N 3.14Å; M138-Q141 WeakPolarHBondContact O-CB 3.37Å; M138-Q141 PolarHBondContact O-N 3.18Å; M138-M142 HydrophobicContact CE-CE 3.38Å; M138-M142 HydrophobicContact CG-CE 4.18Å
139A97.2Very high97Very high0 Ų031 Ų310%016%0.157CC..Hα-helixtrans-60.2-35.5178.100000112.6I108 L135 L136 Q141 M142 L145 F148 L222I108-A139 HydrophobicContact CD1-CB 3.71Å; L135-A139 WeakPolarHBondContact O-CB 3.49Å; L135-A139 PolarHBondContact O-N 3.46Å; L136-A139 WeakPolarHBondContact O-CB 3.49Å; L136-A139 PolarHBondContact O-N 3.01Å; A139-Q141 PolarHBondContact O-N 2.81Å; A139-Q141 VanDerWaalsContact O-N 3.1Å; A139-M142 WeakPolarHBondContact O-CB 3.2Å; A139-M142 PolarHBondContact O-N 3.43Å; A139-L145 HydrophobicContact CB-CD2 3.66Å; A139-L145 WeakPolarHBondContact O-CD2 3.45Å; A139-F148 HydrophobicContact CB-CD2 3.82Å; A139-F148 HydrophobicContact CB-CE2 4.09Å; A139-L222 HydrophobicContact CB-CD1 3.99Å
140S96.6Very high97.1Very high43 Ų4331 Ų3130%0.30116%0.157SC..THydrogen-bonded Turntrans-63.8-14.3176.777.60000114.5L136 L137 M138L136-S140 PolarHBondContact O-N 3.14Å; L137-S140 PolarHBondContact O-N 2.91Å; L137-S140 PolarHBondContact O-OG 2.73Å; M138-S140 VanDerWaalsContact C-N 3.27Å; M138-S140 PolarHBondContact O-N 3.14Å
141Q95.8Very high97.2Very high123 Ų12330.9 Ų30.958%0.57516%0.156SC*.THydrogen-bonded Turntrans-99.34.7177.4-63.1169.768.200112.7L102 L137 M138 A139 P143L102-Q141 HydrophobicContact CD2-CB 3.78Å; L137-Q141 PolarHBondContact O-NE2 3.3Å; L137-Q141 VanDerWaalsContact O-NE2 3.14Å; M138-Q141 WeakPolarHBondContact O-CB 3.37Å; M138-Q141 PolarHBondContact O-N 3.18Å; A139-Q141 PolarHBondContact O-N 2.81Å; A139-Q141 VanDerWaalsContact O-N 3.1Å; Q141-P143 VanDerWaalsContact O-CD 3.24Å; Q141-P143 WeakPolarHBondContact O-CD 3.48Å
142M97.4Very high97.3Very high12 Ų1231.1 Ų31.16%0.05916%0.157CC..  trans-94.2104.2-179.4-66.8179.3178.700111.3L14 L102 T105 I108 M138 A139 K144 L145L14-M142 HydrophobicContact CD2-CE 4.4Å; L102-M142 HydrophobicContact CD2-CE 4.35Å; L102-M142 HydrophobicContact CD2-CG 4Å; L102-M142 WeakPolarHBondContact O-CA 3.49Å; T105-M142 HydrophobicContact CG2-CE 4.47Å; T105-M142 HydrophobicContact CG2-SD 3.88Å; I108-M142 HydrophobicContact CD1-CE 4.05Å; I108-M142 HydrophobicContact CD1-SD 3.69Å; I108-M142 HydrophobicContact CG1-SD 4.43Å; M138-M142 HydrophobicContact CE-CE 3.38Å; M138-M142 HydrophobicContact CG-CE 4.18Å; A139-M142 WeakPolarHBondContact O-CB 3.2Å; A139-M142 PolarHBondContact O-N 3.43Å; M142-K144 PolarHBondContact O-N 3.25Å; M142-L145 HydrophobicContact CB-CB 3.68Å; M142-L145 HydrophobicContact CB-CD2 4.4Å; M142-L145 WeakPolarHBondContact O-CB 3.46Å; M142-L145 PolarHBondContact O-N 2.93Å; M142-L145 HydrophobicContact SD-CD1 4.34Å; M142-L145 HydrophobicContact SD-CD2 4.41Å
143P97.1Very high97.4Very high113 Ų11331.4 Ų31.473%0.73416%0.159SC*.THydrogen-bonded Turntrans-67.8-20.6-175.926.6-36.4000114.4L102 Q141L102-P143 WeakPolarHBondContact O-CD 3.46Å; Q141-P143 VanDerWaalsContact O-CD 3.24Å; Q141-P143 WeakPolarHBondContact O-CD 3.48Å
144K98.1Very high97.5Very high106 Ų10627 Ų2746%0.46114%0.143SC..THydrogen-bonded Turntrans-99.30.9-179.5-64.6-177.5-173.11510113.7S103 T105 N106 M142 E146S103-K144 WeakPolarHBondContact O-CD 3.21Å; S103-K144 WeakPolarHBondContact O-CE 3.36Å; S103-K144 PolarHBondContact O-NZ 2.92Å; T105-K144 CarbonylContact O-C 3.54Å; N106-K144 WeakPolarHBondContact CA-O 3.33Å; N106-K144 PolarHBondContact ND2-O 2.87Å; M142-K144 PolarHBondContact O-N 3.25Å; K144-E146 PolarHBondContact O-N 3.04Å
145L98.4Very high97.5Very high25 Ų2526.3 Ų26.313%0.13114%0.139CC..  trans-68.5122.5-175.9-175.968.7000110.3T105 I108 A139 M142 A147 L222T105-L145 HydrophobicContact CG2-CD1 4.44Å; T105-L145 PolarHBondContact O-N 2.72Å; I108-L145 HydrophobicContact CD1-CD1 3.96Å; I108-L145 HydrophobicContact CD1-CD2 4.31Å; I108-L145 HydrophobicContact CG1-CD1 3.81Å; A139-L145 HydrophobicContact CB-CD2 3.66Å; A139-L145 WeakPolarHBondContact O-CD2 3.45Å; M142-L145 HydrophobicContact CB-CB 3.68Å; M142-L145 HydrophobicContact CB-CD2 4.4Å; M142-L145 WeakPolarHBondContact O-CB 3.46Å; M142-L145 PolarHBondContact O-N 2.93Å; M142-L145 HydrophobicContact SD-CD1 4.34Å; M142-L145 HydrophobicContact SD-CD2 4.41Å; L145-A147 WeakPolarHBondContact CD1-O 3.45Å; L145-L222 HydrophobicContact CD2-CD2 3.73Å
146E98.4Very high97.5Very high37 Ų3726.2 Ų26.217%0.17314%0.138CC..  trans-102.6-35.2-178.6-71.4167-130.300111.5K11 N106 I107 K144 N223 A293K11-E146 IonicContact NZ-OE1 3.81Å; K11-E146 PolarHBondContact NZ-OE1 3.06Å; K11-E146 IonicContact NZ-OE2 3.32Å; K11-E146 PolarHBondContact NZ-OE2 3.33Å; N106-E146 PolarHBondContact ND2-OE1 3.19Å; N106-E146 PolarHBondContact O-N 2.97Å; I107-E146 HydrophobicContact CD1-CB 3.92Å; K144-E146 PolarHBondContact O-N 3.04Å; E146-N223 WeakPolarHBondContact O-CB 3.49Å; E146-N223 PolarHBondContact O-ND2 2.79Å; E146-A293 HydrophobicContact CB-CB 3.88Å
147A98.5Very high97.5Very high1 Ų126.4 Ų26.41%0.00814%0.139CC..EExtended strand (participates in β ladder)trans-152144.5176.900000113.4I107 I108 L145 I149 N223 T292 A293I107-A147 WeakPolarHBondContact CA-O 3.37Å; I107-A147 HydrophobicContact CD1-CB 3.84Å; I108-A147 PolarHBondContact N-O 3.19Å; L145-A147 WeakPolarHBondContact CD1-O 3.45Å; A147-I149 HydrophobicContact CB-CD1 4.22Å; A147-N223 WeakPolarHBondContact CA-O 3.32Å; A147-T292 HydrophobicContact CB-CG2 3.86Å; A147-A293 HydrophobicContact CB-CB 4.05Å
148F98.7Very high97.6Very high0 Ų024.5 Ų24.50%013%0.129CC..EExtended strand (participates in β ladder)trans-119117.9170.3-176.5-70.3000109.4I108 H110 L135 L136 A139 H150 N223 I224 A225I108-F148 HydrophobicContact CB-CD2 3.88Å; I108-F148 HydrophobicContact CB-CE2 4.34Å; I108-F148 HydrophobicContact CB-CG 4.37Å; I108-F148 HydrophobicContact CD1-CD2 3.78Å; I108-F148 HydrophobicContact CD1-CE2 4.11Å; I108-F148 HydrophobicContact CG1-CD2 4.39Å; I108-F148 HydrophobicContact CG2-CD2 3.89Å; I108-F148 HydrophobicContact CG2-CE2 3.84Å; I108-F148 HydrophobicContact CG2-CZ 4.41Å; H110-F148 HydrophobicContact CB-CE1 4.17Å; H110-F148 HydrophobicContact CB-CZ 4.06Å; L135-F148 HydrophobicContact CD2-CE2 3.98Å; L135-F148 HydrophobicContact CD2-CZ 3.92Å; L135-F148 HydrophobicContact CG-CE2 3.9Å; L135-F148 HydrophobicContact CG-CZ 4.21Å; L136-F148 HydrophobicContact CD2-CD1 4.02Å; L136-F148 HydrophobicContact CD2-CD2 4.12Å; L136-F148 HydrophobicContact CD2-CE1 3.77Å; L136-F148 HydrophobicContact CD2-CE2 3.85Å; L136-F148 HydrophobicContact CD2-CG 4.21Å; L136-F148 HydrophobicContact CD2-CZ 3.68Å; L136-F148 HydrophobicContact CG-CE1 4.39Å; L136-F148 HydrophobicContact CG-CE2 4.26Å; L136-F148 HydrophobicContact CG-CZ 3.96Å; A139-F148 HydrophobicContact CB-CD2 3.82Å; A139-F148 HydrophobicContact CB-CE2 4.09Å; F148-H150 HydrophobicContact CE1-CB 4.15Å; F148-N223 PolarHBondContact N-O 3.39Å; F148-I224 HydrophobicContact CB-CG1 4.05Å; F148-I224 HydrophobicContact CD1-CG1 4.48Å; F148-I224 HydrophobicContact CD1-CG2 4.05Å; F148-I224 HydrophobicContact CG-CG1 4.48Å; F148-I224 VanDerWaalsContact O-CA 3.3Å; F148-I224 WeakPolarHBondContact O-CA 3.45Å; F148-I224 WeakPolarHBondContact O-CG2 3.44Å; F148-A225 PolarHBondContact O-N 3.14Å; F148-A225 VanDerWaalsContact O-N 3.07Å
149I98.8Very high97.6Very high0 Ų026.4 Ų26.40%014%0.14CC..EExtended strand (participates in β ladder)trans-110.9110.1-175.5-51.2-52.2000109.3I108 F109 H110 A147 I151 A225 I227 V288 T292I108-I149 PolarHBondContact O-N 3.02Å; F109-I149 HydrophobicContact CD1-CB 3.65Å; F109-I149 HydrophobicContact CD1-CG1 4.04Å; F109-I149 HydrophobicContact CD1-CG2 3.89Å; F109-I149 HydrophobicContact CE1-CB 3.88Å; F109-I149 HydrophobicContact CE1-CG1 3.79Å; F109-I149 HydrophobicContact CE1-CG2 4.03Å; F109-I149 HydrophobicContact CZ-CG1 4.5Å; H110-I149 PolarHBondContact N-O 3.22Å; A147-I149 HydrophobicContact CB-CD1 4.22Å; I149-I151 HydrophobicContact CG2-CD1 4.11Å; I149-A225 HydrophobicContact CD1-CB 4.01Å; I149-I227 HydrophobicContact CG2-CD1 3.56Å; I149-I227 HydrophobicContact CG2-CG1 4.18Å; I149-V288 HydrophobicContact CD1-CG1 4.02Å; I149-T292 HydrophobicContact CD1-CG2 4.41Å
150H98.7Very high97.6Very high1 Ų129.4 Ų29.41%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-91.1124.1177.6-17672000111H110 F148 S152 K208 V215 A225 I226 I227H110-H150 AromaticContact CD2-CE1 3.71Å; H110-H150 AromaticContact CD2-ND1 3.38Å; H110-H150 PolarHBondContact CD2-ND1 3.14Å; F148-H150 HydrophobicContact CE1-CB 4.15Å; H150-S152 PolarHBondContact O-N 3.22Å; H150-K208 PolarHBondContact NE2-NZ 3.46Å; H150-V215 HydrophobicContact CB-CG2 4.09Å; H150-A225 PolarHBondContact N-O 2.74Å; H150-I226 HydrophobicContact CB-CG1 4.23Å; H150-I226 WeakPolarHBondContact O-CA 3.42Å; H150-I227 PolarHBondContact O-N 3.39Å
151I98.6Very high97.5Very high13 Ų1336 Ų367%0.06718%0.179CC..EExtended strand (participates in β ladder)trans-91.5109.6174-52.3-51.6000109.6L22 H110 C111 I149 K208 I227 P229 M285L22-I151 HydrophobicContact CD2-CG1 4.37Å; L22-I151 HydrophobicContact CD2-CG2 3.81Å; H110-I151 PolarHBondContact O-N 2.79Å; C111-I151 HydrophobicContact CB-CG1 4.38Å; I149-I151 HydrophobicContact CG2-CD1 4.11Å; I151-K208 PolarHBondContact O-NZ 2.88Å; I151-I227 HydrophobicContact CD1-CB 3.98Å; I151-I227 HydrophobicContact CD1-CD1 4.11Å; I151-I227 HydrophobicContact CD1-CG1 4.48Å; I151-P229 HydrophobicContact CG2-CG 4.33Å; I151-M285 HydrophobicContact CD1-CE 3.72Å; I151-M285 HydrophobicContact CD1-CG 3.76Å; I151-M285 HydrophobicContact CD1-SD 3.82Å; I151-M285 HydrophobicContact CG1-CE 3.99Å; I151-M285 HydrophobicContact CG1-SD 4.39Å
152S98.4Very high97.6Very high4 Ų434 Ų343%0.02817%0.17CC..  trans-97.7-143.4172.2-164.50000111.9H150 K208 E212 I227 P229H150-S152 PolarHBondContact O-N 3.22Å; S152-K208 VanDerWaalsContact CA-CE 3.41Å; S152-E212 WeakPolarHBondContact CB-OE1 3.48Å; S152-E212 WeakPolarHBondContact OG-CG 3.3Å; S152-E212 PolarHBondContact OG-OE1 3.19Å; S152-I227 WeakPolarHBondContact CA-O 3.4Å; S152-I227 PolarHBondContact N-O 3.17Å; S152-P229 WeakPolarHBondContact O-CD 3.46Å
153T98Very high97.6Very high7 Ų733.5 Ų33.54%0.04317%0.167CC..  trans-152.3144.7173.9179.50000109Y155 S156 Y204 K208 R228 P229T153-Y155 PolarHBondContact O-N 3.48Å; T153-Y155 VanDerWaalsContact O-N 3.1Å; T153-Y155 PolarHBondContact OG1-N 3.3Å; T153-S156 PolarHBondContact O-N 2.94Å; T153-S156 VanDerWaalsContact O-N 3.11Å; T153-S156 PolarHBondContact O-OG 2.82Å; T153-S156 VanDerWaalsContact O-OG 3.12Å; T153-Y204 HydrophobicContact CG2-CE1 3.95Å; T153-K208 HydrophobicContact CG2-CB 3.92Å; T153-K208 HydrophobicContact CG2-CG 3.93Å; T153-R228 WeakPolarHBondContact O-CG 3.38Å; T153-P229 WeakPolarHBondContact CA-O 3.33Å; T153-P229 PolarHBondContact OG1-O 2.88Å
154A97.7Very high97.6Very high0 Ų030.7 Ų30.70%015%0.146CC..G310 helixtrans-55.1-28.5172.900000111.2S156 P229 T306 W401A154-S156 VanDerWaalsContact C-N 3.3Å; A154-S156 PolarHBondContact O-N 2.86Å; A154-P229 PolarHBondContact N-O 3.37Å; A154-T306 HydrophobicContact CB-CG2 3.68Å; A154-W401 HydrophobicContact CB-CD2 4.48Å; A154-W401 HydrophobicContact CB-CE3 4.06Å; A154-W401 HydrophobicContact CB-CH2 3.78Å; A154-W401 HydrophobicContact CB-CZ2 4.19Å; A154-W401 HydrophobicContact CB-CZ3 3.7Å; A154-W401 WeakPolarHBondContact O-CH2 3.31Å; A154-W401 WeakPolarHBondContact O-CZ3 3.36Å
155Y97Very high97.6Very high14 Ų1426.4 Ų26.46%0.05513%0.127CC..G310 helixtrans-83.16.4-178.5-57.2-72.8000115.3T153 N157 C158 T205 I231 D274 F394 W399 W401T153-Y155 PolarHBondContact O-N 3.48Å; T153-Y155 VanDerWaalsContact O-N 3.1Å; T153-Y155 PolarHBondContact OG1-N 3.3Å; Y155-N157 PolarHBondContact O-N 3.36Å; Y155-C158 HydrophobicContact CD1-CB 4.07Å; Y155-C158 WeakPolarHBondContact O-CB 3.36Å; Y155-C158 PolarHBondContact O-N 2.94Å; Y155-C158 PolarHBondContact O-SG 2.84Å; Y155-T205 WeakPolarHBondContact O-CB 3.21Å; Y155-T205 VanDerWaalsContact O-CG2 3.27Å; Y155-T205 WeakPolarHBondContact O-CG2 3.46Å; Y155-I231 HydrophobicContact CE2-CG1 3.76Å; Y155-D274 VanDerWaalsContact OH-CB 3.28Å; Y155-D274 WeakPolarHBondContact OH-CB 3.41Å; Y155-F394 AromaticContact CD1-CD1 3.67Å; Y155-F394 HydrophobicContact CD1-CD1 3.67Å; Y155-F394 AromaticContact CD1-CE1 3.7Å; Y155-F394 HydrophobicContact CD1-CE1 3.7Å; Y155-F394 AromaticContact CE1-CD1 3.92Å; Y155-F394 HydrophobicContact CE1-CD1 3.92Å; Y155-F394 HydrophobicContact CE1-CE1 4.41Å; Y155-F394 HydrophobicContact CG-CD1 4.11Å; Y155-F394 AromaticContact CG-CE1 3.82Å; Y155-F394 HydrophobicContact CG-CE1 3.82Å; Y155-W399 HydrophobicContact CD1-CE3 4.42Å; Y155-W399 HydrophobicContact CD1-CH2 4.46Å; Y155-W399 HydrophobicContact CD1-CZ3 4.36Å; Y155-W399 HydrophobicContact CE1-CD2 4.31Å; Y155-W399 AromaticContact CE1-CE3 3.76Å; Y155-W399 HydrophobicContact CE1-CE3 3.76Å; Y155-W399 HydrophobicContact CE1-CH2 4.24Å; Y155-W399 AromaticContact CE1-CZ3 3.72Å; Y155-W399 HydrophobicContact CE1-CZ3 3.72Å; Y155-W401 HydrophobicContact CD1-CH2 4.02Å; Y155-W401 HydrophobicContact CD1-CZ2 4.37Å; Y155-W401 HydrophobicContact CE1-CH2 4.03Å; Y155-W401 AromaticContact CE1-CZ2 3.91Å; Y155-W401 HydrophobicContact CE1-CZ2 3.91Å
156S97.1Very high97.6Very high0 Ų028.7 Ų28.70%014%0.142CC..G310 helixtrans-60-32.1179.155.10000111.2T153 A154 W200 A209 E212T153-S156 PolarHBondContact O-N 2.94Å; T153-S156 VanDerWaalsContact O-N 3.11Å; T153-S156 PolarHBondContact O-OG 2.82Å; T153-S156 VanDerWaalsContact O-OG 3.12Å; A154-S156 VanDerWaalsContact C-N 3.3Å; A154-S156 PolarHBondContact O-N 2.86Å; S156-W200 PolarHBondContact O-NE1 3.31Å; S156-A209 WeakPolarHBondContact O-CB 3.47Å; S156-E212 WeakPolarHBondContact CB-OE1 3.32Å; S156-E212 PolarHBondContact OG-OE1 2.81Å; S156-E212 PolarHBondContact OG-OE2 3.46Å
157N97.2Very high97.5Very high4 Ų428 Ų282%0.02114%0.14CC..G310 helixtrans-117.933.6178.6-60-72.3000112.1Y155 N159 L160 I163 Y168Y155-N157 PolarHBondContact O-N 3.36Å; N157-N159 WeakPolarHBondContact CA-OD1 3.21Å; N157-N159 PolarHBondContact O-N 3.26Å; N157-N159 VanDerWaalsContact O-N 3.07Å; N157-N159 PolarHBondContact O-OD1 3.26Å; N157-L160 HydrophobicContact CB-CD1 4.36Å; N157-L160 WeakPolarHBondContact O-CB 3.39Å; N157-L160 PolarHBondContact O-N 3.36Å; N157-I163 HydrophobicContact CB-CG2 4.32Å; N157-I163 VanDerWaalsContact O-CD1 3.3Å; N157-I163 WeakPolarHBondContact O-CD1 3.42Å; N157-Y168 HydrophobicContact CB-CD2 4.02Å; N157-Y168 HydrophobicContact CB-CE2 4.37Å; N157-Y168 HydrophobicContact CB-CG 4.45Å; N157-Y168 VanDerWaalsContact CG-CD2 3.49Å; N157-Y168 WeakPolarHBondContact ND2-CD2 3.46Å; N157-Y168 WeakPolarHBondContact OD1-CB 3.43Å
158C96.5Very high97.4Very high1 Ų129.9 Ų29.91%0.00715%0.147CC..THydrogen-bonded Turntrans-66.4-7.3-176.263.40000115.3Y155 L160 P201 Y393 F394 W399Y155-C158 HydrophobicContact CD1-CB 4.07Å; Y155-C158 WeakPolarHBondContact O-CB 3.36Å; Y155-C158 PolarHBondContact O-N 2.94Å; Y155-C158 PolarHBondContact O-SG 2.84Å; C158-L160 PolarHBondContact O-N 3.34Å; C158-P201 VanDerWaalsContact SG-CD 3.56Å; C158-Y393 HydrophobicContact CB-CE1 4.26Å; C158-Y393 PolarHBondContact O-OH 3Å; C158-Y393 VanDerWaalsContact O-OH 3.04Å; C158-F394 HydrophobicContact CB-CE1 4.48Å; C158-W399 HydrophobicContact CB-CZ2 3.92Å; C158-W399 PolarHBondContact O-NE1 2.85Å
159N95.4Very high97.2Very high50 Ų5035 Ų3527%0.26718%0.18SC..THydrogen-bonded Turntrans-66.1-21.3166.757.4-54.3000112.5N157 D199N157-N159 WeakPolarHBondContact CA-OD1 3.21Å; N157-N159 PolarHBondContact O-N 3.26Å; N157-N159 VanDerWaalsContact O-N 3.07Å; N157-N159 PolarHBondContact O-OD1 3.26Å; N159-D199 HydrophobicContact CB-CB 3.9Å
160L96.5Very high96.9Very high64 Ų6435.6 Ų35.634%0.33518%0.184SC..SBendtrans-89.5158.5170.6-53.4178.2000110.7N157 C158 I163 Y168 W399N157-L160 HydrophobicContact CB-CD1 4.36Å; N157-L160 WeakPolarHBondContact O-CB 3.39Å; N157-L160 PolarHBondContact O-N 3.36Å; C158-L160 PolarHBondContact O-N 3.34Å; L160-I163 HydrophobicContact CB-CG1 3.99Å; L160-Y168 HydrophobicContact CD1-CD1 3.79Å; L160-Y168 HydrophobicContact CD1-CE1 3.46Å; L160-Y168 VanDerWaalsContact CD1-CE1 3.46Å; L160-Y168 HydrophobicContact CD1-CG 4.45Å; L160-W399 PolarHBondContact O-NE1 2.91Å; L160-W399 VanDerWaalsContact O-NE1 3.15Å
161K94.9Very high96.4Very high182 Ų18239.2 Ų39.279%0.79121%0.208SC*.SBendtrans-89.6-44174.5-69.9-175.1179.7178.90112.7W399 E400K161-W399 WeakPolarHBondContact O-CA 3.47Å; K161-E400 PolarHBondContact O-N 3.27Å
162H97.4Very high96.1Very high81 Ų8140.6 Ų40.638%0.37522%0.216SC..EExtended strand (participates in β ladder)trans-106.4127.7175.6-172.788.1000108.2D164 E400 S402H162-D164 IonicContact CD2-OD1 2.74Å; H162-D164 IonicContact CD2-OD2 3.97Å; H162-D164 IonicContact NE2-OD1 3.71Å; H162-D164 PolarHBondContact NE2-OD1 3.26Å; H162-E400 WeakPolarHBondContact CA-O 3.47Å; H162-E400 IonicContact ND1-OE2 3.09Å; H162-E400 PolarHBondContact ND1-OE2 3.34Å; H162-S402 PolarHBondContact NE2-OG 3.12Å; H162-S402 VanDerWaalsContact NE2-OG 3.17Å
163I97.9Very high95.8Very high0 Ų044.8 Ų44.80%024%0.236CC..EExtended strand (participates in β ladder)trans-130.2115.5-171.9-59.9159.1000108.3N157 L160 Y168 H304 W399 E400 W401 S402N157-I163 HydrophobicContact CB-CG2 4.32Å; N157-I163 VanDerWaalsContact O-CD1 3.3Å; N157-I163 WeakPolarHBondContact O-CD1 3.42Å; L160-I163 HydrophobicContact CB-CG1 3.99Å; I163-Y168 HydrophobicContact CG2-CE2 4.03Å; I163-H304 PolarHBondContact O-CE1 2.86Å; I163-W399 HydrophobicContact CD1-CG 4.27Å; I163-E400 PolarHBondContact N-O 2.83Å; I163-W401 HydrophobicContact CB-CE3 3.88Å; I163-W401 HydrophobicContact CB-CZ3 3.92Å; I163-W401 HydrophobicContact CD1-CE3 4.01Å; I163-W401 HydrophobicContact CD1-CH2 3.8Å; I163-W401 HydrophobicContact CD1-CZ3 3.24Å; I163-W401 HydrophobicContact CG1-CZ3 4.13Å; I163-W401 HydrophobicContact CG2-CE3 4.29Å; I163-W401 HydrophobicContact CG2-CZ3 4.17Å; I163-S402 PolarHBondContact O-N 3.45Å
164D97.9Very high95.7Very high55 Ų5544.5 Ų44.529%0.29423%0.234SC..  trans-87.1159.7-179.9-68.6-62000112.3H162 V166 Y168 R228 H304 S402H162-D164 IonicContact CD2-OD1 2.74Å; H162-D164 IonicContact CD2-OD2 3.97Å; H162-D164 IonicContact NE2-OD1 3.71Å; H162-D164 PolarHBondContact NE2-OD1 3.26Å; D164-V166 HydrophobicContact CB-CG1 4.4Å; D164-V166 HydrophobicContact CB-CG2 3.97Å; D164-V166 PolarHBondContact O-N 3.42Å; D164-Y168 WeakPolarHBondContact CB-OH 3.47Å; D164-Y168 PolarHBondContact N-OH 2.7Å; D164-R228 PolarHBondContact O-NH1 2.81Å; D164-H304 PolarHBondContact O-CE1 3.16Å; D164-S402 WeakPolarHBondContact OD1-CB 3.41Å; D164-S402 PolarHBondContact OD1-OG 2.63Å
165E98Very high95.5Very high15 Ų1550.8 Ų50.87%0.0726%0.261CS..SBendtrans-75.753.8172.6-78.4174.714500111.7V302 Y303 H304 S402 T403 Y404 N405 T406E165-V302 HydrophobicContact CB-CB 4.23Å; E165-V302 WeakPolarHBondContact CB-O 3.45Å; E165-V302 WeakPolarHBondContact CG-O 3.45Å; E165-Y303 WeakPolarHBondContact OE1-CA 3.35Å; E165-H304 HydrophobicContact CG-CB 4.12Å; E165-H304 PolarHBondContact OE1-N 2.68Å; E165-S402 WeakPolarHBondContact CG-O 3.29Å; E165-T403 VanDerWaalsContact OE2-C 3.28Å; E165-Y404 PolarHBondContact OE2-N 3.05Å; E165-N405 WeakPolarHBondContact OE2-CB 3.48Å; E165-N405 PolarHBondContact OE2-N 3.22Å; E165-T406 PolarHBondContact OE1-OG1 3Å
166V97.6Very high95.5Very high74 Ų7455.3 Ų55.345%0.44828%0.281SS..SBendtrans-131.1158.6176-57.90000110.4D164 Y168 R228D164-V166 HydrophobicContact CB-CG1 4.4Å; D164-V166 HydrophobicContact CB-CG2 3.97Å; D164-V166 PolarHBondContact O-N 3.42Å; V166-Y168 HydrophobicContact CG2-CD2 4.26Å; V166-Y168 HydrophobicContact CG2-CE1 4.26Å; V166-Y168 HydrophobicContact CG2-CE2 3.83Å; V166-Y168 WeakPolarHBondContact O-CD2 3.33Å; V166-R228 PolarHBondContact O-NH1 2.88Å; V166-R228 VanDerWaalsContact O-NH1 3.17Å; V166-R228 PolarHBondContact O-NH2 3.24Å
167I97.1Very high95.4Very high23 Ų2355.6 Ų55.612%0.11828%0.283CS..PPolyproline II helixtrans-83.4123.2172.5-58.1176.3000108.2E212 Q216 I226 T300 V302I167-E212 HydrophobicContact CG2-CB 4.27Å; I167-Q216 HydrophobicContact CD1-CB 3.77Å; I167-Q216 HydrophobicContact CD1-CG 4.13Å; I167-Q216 HydrophobicContact CG2-CB 4.35Å; I167-I226 HydrophobicContact CD1-CD1 3.53Å; I167-I226 HydrophobicContact CG1-CD1 3.86Å; I167-T300 HydrophobicContact CD1-CG2 4.25Å; I167-V302 HydrophobicContact CG1-CG2 3.92Å
168Y96.6Very high95.2Very high40 Ų4056.2 Ų56.216%0.15729%0.286CS..PPolyproline II helixtrans-90.4140.6-179.7-70.8-90.9000111N157 L160 I163 D164 V166N157-Y168 HydrophobicContact CB-CD2 4.02Å; N157-Y168 HydrophobicContact CB-CE2 4.37Å; N157-Y168 HydrophobicContact CB-CG 4.45Å; N157-Y168 VanDerWaalsContact CG-CD2 3.49Å; N157-Y168 WeakPolarHBondContact ND2-CD2 3.46Å; N157-Y168 WeakPolarHBondContact OD1-CB 3.43Å; L160-Y168 HydrophobicContact CD1-CD1 3.79Å; L160-Y168 HydrophobicContact CD1-CE1 3.46Å; L160-Y168 VanDerWaalsContact CD1-CE1 3.46Å; L160-Y168 HydrophobicContact CD1-CG 4.45Å; I163-Y168 HydrophobicContact CG2-CE2 4.03Å; D164-Y168 WeakPolarHBondContact CB-OH 3.47Å; D164-Y168 PolarHBondContact N-OH 2.7Å; V166-Y168 HydrophobicContact CG2-CD2 4.26Å; V166-Y168 HydrophobicContact CG2-CE1 4.26Å; V166-Y168 HydrophobicContact CG2-CE2 3.83Å; V166-Y168 WeakPolarHBondContact O-CD2 3.33Å
169P94.1Very high95.2Very high107 Ų10759.4 Ų59.470%0.69530%0.303SS*.PPolyproline II helixtrans-71.2138.5174.129.8-33.8000110.7
170C92Very high95.2Very high13 Ų1359.3 Ų59.39%0.08831%0.306CS..PPolyproline II helixtrans-90.6152.5168.2-61.90000110.4V172 L210 M213C170-V172 PolarHBondContact O-N 2.81Å; C170-V172 VanDerWaalsContact O-N 3.16Å; C170-L210 HydrophobicContact CB-CD2 3.95Å; C170-M213 HydrophobicContact CB-SD 3.28Å; C170-M213 WeakPolarHBondContact CB-SD 3.41Å; C170-M213 PolarHBondContact N-SD 3.22Å; C170-M213 PolarHBondContact SG-SD 3.39Å
171P88.8Confident95Very high77 Ų7756.7 Ų56.750%0.529%0.292SS..SBendtrans-61.6-23.7179.8-24.533.4000115W200P171-W200 HydrophobicContact CG-CZ3 4.39Å
172V91.4Very high94.9Very high41 Ų4154.7 Ų54.725%0.24829%0.286CS..SBendtrans-127.9132.2-179.6-174.40000108.1C170 K176 I177 L196C170-V172 PolarHBondContact O-N 2.81Å; C170-V172 VanDerWaalsContact O-N 3.16Å; V172-K176 HydrophobicContact CG1-CB 4.06Å; V172-I177 HydrophobicContact CB-CD1 4.13Å; V172-I177 HydrophobicContact CB-CG1 4.21Å; V172-I177 HydrophobicContact CG1-CD1 4.16Å; V172-I177 HydrophobicContact CG1-CG1 3.71Å; V172-L196 HydrophobicContact CG2-CD1 4.44Å
173E93.2Very high94.7Very high93 Ų9359.6 Ų59.644%0.43530%0.301SS..  trans-60.2136.8177-70160.7-127.300111.1K175 K176 I177E173-K175 PolarHBondContact O-N 2.84Å; E173-K175 VanDerWaalsContact O-N 3.15Å; E173-K176 HydrophobicContact CB-CD 4.25Å; E173-K176 HydrophobicContact CB-CG 4.35Å; E173-K176 PolarHBondContact O-N 2.91Å; E173-K176 VanDerWaalsContact O-N 3.09Å; E173-K176 IonicContact OE1-NZ 3.24Å; E173-K176 PolarHBondContact OE1-NZ 2.83Å; E173-K176 IonicContact OE2-NZ 3.45Å; E173-I177 PolarHBondContact O-N 3.14Å
174P95.1Very high94.6Very high1 Ų160.6 Ų60.61%0.00631%0.306CS..Hα-helixtrans-52.1-40-179.8-28.734.4000113.8V129 K176 I177 I178 L210 M213 V214V129-P174 HydrophobicContact CG1-CB 4.07Å; P174-K176 PolarHBondContact O-N 3.32Å; P174-I177 WeakPolarHBondContact O-CB 3.45Å; P174-I177 PolarHBondContact O-N 2.78Å; P174-I178 WeakPolarHBondContact O-CG1 3.38Å; P174-I178 PolarHBondContact O-N 3.17Å; P174-L210 HydrophobicContact CG-CD2 4.2Å; P174-M213 HydrophobicContact CG-CB 3.76Å; P174-M213 HydrophobicContact CG-SD 4.3Å; P174-V214 HydrophobicContact CB-CG2 3.55Å; P174-V214 HydrophobicContact CG-CG2 3.91Å
175K94.5Very high94.5Very high131 Ų13163.2 Ų63.257%0.5732%0.32SS*.Hα-helixtrans-59.9-45.3179.2-172.7179.3177.7-175.50112.7E173 I177 I178 D179E173-K175 PolarHBondContact O-N 2.84Å; E173-K175 VanDerWaalsContact O-N 3.15Å; K175-I177 PolarHBondContact O-N 3.12Å; K175-I178 PolarHBondContact O-N 3.25Å; K175-D179 WeakPolarHBondContact O-CB 3.12Å; K175-D179 PolarHBondContact O-N 3.17Å
176K95.4Very high94.3Very high110 Ų11066.6 Ų66.648%0.47834%0.339SS..Hα-helixtrans-60.5-35.4178.4-69.3174.6178159.90111.8V172 E173 P174 S180V172-K176 HydrophobicContact CG1-CB 4.06Å; E173-K176 HydrophobicContact CB-CD 4.25Å; E173-K176 HydrophobicContact CB-CG 4.35Å; E173-K176 PolarHBondContact O-N 2.91Å; E173-K176 VanDerWaalsContact O-N 3.09Å; E173-K176 IonicContact OE1-NZ 3.24Å; E173-K176 PolarHBondContact OE1-NZ 2.83Å; E173-K176 IonicContact OE2-NZ 3.45Å; P174-K176 PolarHBondContact O-N 3.32Å; K176-S180 VanDerWaalsContact O-CB 3.28Å; K176-S180 WeakPolarHBondContact O-CB 3.36Å; K176-S180 PolarHBondContact O-N 3.29Å; K176-S180 PolarHBondContact O-OG 3.01Å
177I95.3Very high94.2Very high6 Ų666.7 Ų66.73%0.03135%0.347CS..Hα-helixtrans-70.1-48.6176.4-61167.2000110.1V125 V172 E173 P174 K175 D179 S180 L181 L196 Y206 L210V125-I177 HydrophobicContact CG1-CG2 4.49Å; V125-I177 HydrophobicContact CG2-CG2 4.17Å; V172-I177 HydrophobicContact CB-CD1 4.13Å; V172-I177 HydrophobicContact CB-CG1 4.21Å; V172-I177 HydrophobicContact CG1-CD1 4.16Å; V172-I177 HydrophobicContact CG1-CG1 3.71Å; E173-I177 PolarHBondContact O-N 3.14Å; P174-I177 WeakPolarHBondContact O-CB 3.45Å; P174-I177 PolarHBondContact O-N 2.78Å; K175-I177 PolarHBondContact O-N 3.12Å; I177-D179 PolarHBondContact O-N 3.24Å; I177-S180 PolarHBondContact O-N 3.49Å; I177-L181 HydrophobicContact CG2-CD1 3.78Å; I177-L181 HydrophobicContact CG2-CG 4.23Å; I177-L181 VanDerWaalsContact O-CG 3.25Å; I177-L181 WeakPolarHBondContact O-CG 3.49Å; I177-L181 PolarHBondContact O-N 3.36Å; I177-L196 HydrophobicContact CG2-CD2 4.46Å; I177-Y206 HydrophobicContact CD1-CE1 4.48Å; I177-Y206 WeakPolarHBondContact CD1-OH 3.22Å; I177-L210 HydrophobicContact CD1-CD1 3.57Å; I177-L210 HydrophobicContact CD1-CD2 3.61Å; I177-L210 HydrophobicContact CD1-CG 4.25Å
178I94.6Very high94.2Very high17 Ų1769 Ų699%0.08736%0.359CS..Hα-helixtrans-55.2-55.3177.7-66.4164.6000109.7V125 V129 P174 K175 S180 L181 E182V125-I178 HydrophobicContact CG1-CG1 3.96Å; V129-I178 HydrophobicContact CG1-CD1 4.1Å; P174-I178 WeakPolarHBondContact O-CG1 3.38Å; P174-I178 PolarHBondContact O-N 3.17Å; K175-I178 PolarHBondContact O-N 3.25Å; I178-S180 VanDerWaalsContact C-N 3.28Å; I178-S180 PolarHBondContact O-N 3.5Å; I178-L181 PolarHBondContact O-N 3.25Å; I178-L181 VanDerWaalsContact O-N 3.12Å; I178-E182 PolarHBondContact O-N 2.83Å; I178-E182 VanDerWaalsContact O-N 3.13Å
179D95.2Very high94.2Very high68 Ų6867.2 Ų67.236%0.36435%0.352SS..Hα-helixtrans-59.3-38.5-178.4-61.3-7.2000111.5K175 I177 W183K175-D179 WeakPolarHBondContact O-CB 3.12Å; K175-D179 PolarHBondContact O-N 3.17Å; I177-D179 PolarHBondContact O-N 3.24Å; D179-W183 PolarHBondContact O-NE1 2.9Å
180S94.9Very high94.2Very high47 Ų4766.6 Ų66.633%0.32934%0.343SS..Hα-helixtrans-67.7-42.8177.2-60.70000112.4K176 I177 I178 E182 L184K176-S180 VanDerWaalsContact O-CB 3.28Å; K176-S180 WeakPolarHBondContact O-CB 3.36Å; K176-S180 PolarHBondContact O-N 3.29Å; K176-S180 PolarHBondContact O-OG 3.01Å; I177-S180 PolarHBondContact O-N 3.49Å; I178-S180 VanDerWaalsContact C-N 3.28Å; I178-S180 PolarHBondContact O-N 3.5Å; S180-E182 VanDerWaalsContact C-N 3.27Å; S180-E182 PolarHBondContact O-N 2.63Å; S180-L184 WeakPolarHBondContact O-CB 3.42Å; S180-L184 WeakPolarHBondContact O-CD1 3.34Å; S180-L184 WeakPolarHBondContact O-CG 3.31Å; S180-L184 PolarHBondContact O-N 2.88Å
181L94.2Very high94.4Very high9 Ų973 Ų735%0.04737%0.372CS..Hα-helixtrans-67.4-30.4-178.2-67.1176000111.1L121 R122 V125 I177 I178 W183 I189L121-L181 HydrophobicContact CD2-CD1 4.42Å; L121-L181 HydrophobicContact CD2-CD2 3.99Å; L121-L181 HydrophobicContact CG-CD1 4.15Å; L121-L181 HydrophobicContact CG-CD2 4.36Å; R122-L181 PolarHBondContact NH1-O 3.29Å; R122-L181 PolarHBondContact NH2-O 3.2Å; V125-L181 HydrophobicContact CB-CD1 3.72Å; V125-L181 HydrophobicContact CG1-CD1 3.89Å; V125-L181 HydrophobicContact CG2-CD1 3.65Å; I177-L181 HydrophobicContact CG2-CD1 3.78Å; I177-L181 HydrophobicContact CG2-CG 4.23Å; I177-L181 VanDerWaalsContact O-CG 3.25Å; I177-L181 WeakPolarHBondContact O-CG 3.49Å; I177-L181 PolarHBondContact O-N 3.36Å; I178-L181 PolarHBondContact O-N 3.25Å; I178-L181 VanDerWaalsContact O-N 3.12Å; L181-W183 VanDerWaalsContact C-N 3.28Å; L181-W183 PolarHBondContact O-N 3.47Å; L181-I189 HydrophobicContact CD2-CB 4.45Å; L181-I189 HydrophobicContact CD2-CD1 3.62Å; L181-I189 HydrophobicContact CD2-CG1 3.67Å; L181-I189 HydrophobicContact CD2-CG2 3.93Å
182E91.3Very high94.7Very high141 Ų14172.3 Ų72.366%0.65936%0.363SS*.Hα-helixtrans-55.8-36.9179.9-75.5-178.717900114.4I178 S180I178-E182 PolarHBondContact O-N 2.83Å; I178-E182 VanDerWaalsContact O-N 3.13Å; S180-E182 VanDerWaalsContact C-N 3.27Å; S180-E182 PolarHBondContact O-N 2.63Å
183W93.6Very high94.8Very high183 Ų18370.9 Ų70.969%0.69335%0.354SS*.Hα-helixtrans-111.2-17.8-175.463.9-94.4000114.8D179 L181D179-W183 PolarHBondContact O-NE1 2.9Å; L181-W183 VanDerWaalsContact C-N 3.28Å; L181-W183 PolarHBondContact O-N 3.47Å
184L95.9Very high94.8Very high21 Ų2170.4 Ų70.411%0.1136%0.36CS..SBendtrans-69.3141.8176.6-76.1170.3000111.5R122 S180 I188 I189 I192R122-L184 PolarHBondContact NH2-O 3.47Å; S180-L184 WeakPolarHBondContact O-CB 3.42Å; S180-L184 WeakPolarHBondContact O-CD1 3.34Å; S180-L184 WeakPolarHBondContact O-CG 3.31Å; S180-L184 PolarHBondContact O-N 2.88Å; L184-I188 HydrophobicContact CD2-CG2 3.92Å; L184-I189 HydrophobicContact CB-CD1 4.02Å; L184-I189 HydrophobicContact CB-CG1 3.78Å; L184-I189 HydrophobicContact CD1-CG1 4.44Å; L184-I192 HydrophobicContact CD1-CD1 3.88Å
185D95.6Very high94.7Very high111 Ų11178.3 Ų78.359%0.59439%0.394SS*.  trans-69.9149171-71.6-56.8000112.2A187 I188 I189D185-A187 PolarHBondContact O-N 3.37Å; D185-I188 HydrophobicContact CB-CD1 4.25Å; D185-I188 HydrophobicContact CB-CG1 4.31Å; D185-I188 PolarHBondContact O-N 3.07Å; D185-I189 WeakPolarHBondContact O-CG1 3.43Å; D185-I189 PolarHBondContact O-N 2.85Å
186D94.4Very high94.7Very high86 Ų8674.1 Ų74.146%0.4638%0.377SS..Hα-helixtrans-58.4-35.3-179.6-74.5-10.7000113R122 I189 D190R122-D186 IonicContact CZ-OD1 3.47Å; R122-D186 VanDerWaalsContact CZ-OD1 3.24Å; R122-D186 IonicContact NE-OD1 3.26Å; R122-D186 PolarHBondContact NE-OD1 2.81Å; R122-D186 IonicContact NH2-OD1 2.79Å; R122-D186 PolarHBondContact NH2-OD1 3.23Å; D186-I189 PolarHBondContact O-N 3.17Å; D186-D190 WeakPolarHBondContact O-CB 3.37Å; D186-D190 PolarHBondContact O-N 3.25Å
187A96.1Very high94.6Very high76 Ų7669.7 Ų69.763%0.62836%0.359SS*.Hα-helixtrans-65-39.9176.500000112.5D185 E191D185-A187 PolarHBondContact O-N 3.37Å; A187-E191 PolarHBondContact O-N 2.7Å
188I96Very high94.4Very high71 Ų7176.6 Ų76.636%0.36438%0.384SS..Hα-helixtrans-69.2-42.4176.6-59.6173.6000109.4L184 D185 D190 E191 I192L184-I188 HydrophobicContact CD2-CG2 3.92Å; D185-I188 HydrophobicContact CB-CD1 4.25Å; D185-I188 HydrophobicContact CB-CG1 4.31Å; D185-I188 PolarHBondContact O-N 3.07Å; I188-D190 VanDerWaalsContact C-N 3.32Å; I188-D190 PolarHBondContact O-N 3.38Å; I188-E191 PolarHBondContact O-N 3.42Å; I188-E191 VanDerWaalsContact O-N 3.16Å; I188-I192 HydrophobicContact CG2-CG2 4.3Å; I188-I192 WeakPolarHBondContact O-CG1 3.46Å; I188-I192 WeakPolarHBondContact O-CG2 3.25Å; I188-I192 PolarHBondContact O-N 3.47Å
189I96.3Very high94.3Very high2 Ų281.3 Ų81.31%0.0141%0.41CS..Hα-helixtrans-56.5-47.8176.2-69.7168000110.7L121 L181 L184 D185 D186 E191 I192 T193L121-I189 HydrophobicContact CB-CG2 3.83Å; L121-I189 HydrophobicContact CD2-CG2 4.1Å; L121-I189 HydrophobicContact CG-CG2 4.43Å; L181-I189 HydrophobicContact CD2-CB 4.45Å; L181-I189 HydrophobicContact CD2-CD1 3.62Å; L181-I189 HydrophobicContact CD2-CG1 3.67Å; L181-I189 HydrophobicContact CD2-CG2 3.93Å; L184-I189 HydrophobicContact CB-CD1 4.02Å; L184-I189 HydrophobicContact CB-CG1 3.78Å; L184-I189 HydrophobicContact CD1-CG1 4.44Å; D185-I189 WeakPolarHBondContact O-CG1 3.43Å; D185-I189 PolarHBondContact O-N 2.85Å; D186-I189 PolarHBondContact O-N 3.17Å; I189-E191 VanDerWaalsContact C-N 3.29Å; I189-E191 PolarHBondContact O-N 3.06Å; I189-I192 WeakPolarHBondContact O-CG1 3.33Å; I189-I192 PolarHBondContact O-N 3.49Å; I189-T193 VanDerWaalsContact O-CB 3.3Å; I189-T193 WeakPolarHBondContact O-CB 3.28Å; I189-T193 PolarHBondContact O-N 2.87Å; I189-T193 PolarHBondContact O-OG1 3.07Å
190D95.1Very high94.3Very high95 Ų9578.8 Ų78.851%0.50840%0.395SS..Hα-helixtrans-61.9-37.5179-76-14.6000111.8D186 I188 P194D186-D190 WeakPolarHBondContact O-CB 3.37Å; D186-D190 PolarHBondContact O-N 3.25Å; I188-D190 VanDerWaalsContact C-N 3.32Å; I188-D190 PolarHBondContact O-N 3.38Å; D190-P194 WeakPolarHBondContact O-CD 3.32Å
191E95.7Very high94.3Very high148 Ų14878.7 Ų78.769%0.69239%0.393SS*.Hα-helixtrans-69.4-40.5177.4-169.9178.7169.200112.9A187 I188 I189A187-E191 PolarHBondContact O-N 2.7Å; I188-E191 PolarHBondContact O-N 3.42Å; I188-E191 VanDerWaalsContact O-N 3.16Å; I189-E191 VanDerWaalsContact C-N 3.29Å; I189-E191 PolarHBondContact O-N 3.06Å
192I94.4Very high94.4Very high61 Ų6178.8 Ų78.831%0.31339%0.394SS..Hα-helixtrans-82.9-22.4-179.269.7177.9000113.2L184 I188 I189 K195 L196L184-I192 HydrophobicContact CD1-CD1 3.88Å; I188-I192 HydrophobicContact CG2-CG2 4.3Å; I188-I192 WeakPolarHBondContact O-CG1 3.46Å; I188-I192 WeakPolarHBondContact O-CG2 3.25Å; I188-I192 PolarHBondContact O-N 3.47Å; I189-I192 WeakPolarHBondContact O-CG1 3.33Å; I189-I192 PolarHBondContact O-N 3.49Å; I192-K195 WeakPolarHBondContact O-CA 3.32Å; I192-K195 WeakPolarHBondContact O-CB 3.38Å; I192-K195 PolarHBondContact O-N 2.98Å; I192-L196 PolarHBondContact O-N 3.37Å
193T95.3Very high94.5Very high11 Ų1173 Ų737%0.06737%0.368CS..Hα-helixtrans-50.5-48.2-173.3-73.60000113.1L121 I189 K195 L196 I197 I203L121-T193 HydrophobicContact CB-CG2 4.42Å; L121-T193 WeakPolarHBondContact CD2-OG1 3.21Å; I189-T193 VanDerWaalsContact O-CB 3.3Å; I189-T193 WeakPolarHBondContact O-CB 3.28Å; I189-T193 PolarHBondContact O-N 2.87Å; I189-T193 PolarHBondContact O-OG1 3.07Å; T193-K195 VanDerWaalsContact C-N 3.27Å; T193-K195 PolarHBondContact O-N 3.32Å; T193-L196 PolarHBondContact O-N 3.5Å; T193-L196 VanDerWaalsContact O-N 3.12Å; T193-I197 HydrophobicContact CG2-CG2 4.25Å; T193-I197 WeakPolarHBondContact O-CG1 3.37Å; T193-I197 PolarHBondContact O-N 2.73Å; T193-I203 HydrophobicContact CG2-CD1 3.92Å; T193-I203 HydrophobicContact CG2-CG1 3.96Å
194P93.2Very high94.6Very high84 Ų8465.8 Ų65.855%0.54534%0.34SS..Hα-helixtrans-58.8-36.3177.8-24.935.1000113.6D190 R198D190-P194 WeakPolarHBondContact O-CD 3.32Å; P194-R198 PolarHBondContact O-N 3.16Å
195K92.9Very high94.7Very high167 Ų16764.8 Ų64.873%0.72634%0.335SS*.Hα-helixtrans-76.2-29.7178.1-64.3178-178.6169.70112.3I192 T193 R198I192-K195 WeakPolarHBondContact O-CA 3.32Å; I192-K195 WeakPolarHBondContact O-CB 3.38Å; I192-K195 PolarHBondContact O-N 2.98Å; T193-K195 VanDerWaalsContact C-N 3.27Å; T193-K195 PolarHBondContact O-N 3.32Å; K195-R198 WeakPolarHBondContact O-CG 3.13Å
196L93.2Very high94.7Very high42 Ų4259.6 Ų59.622%0.2231%0.307CS..Hα-helixtrans-75-47.1178.8-174.969.8000111.7L121 V172 I177 I192 T193 R198 Y206L121-L196 HydrophobicContact CD2-CD2 3.5Å; V172-L196 HydrophobicContact CG2-CD1 4.44Å; I177-L196 HydrophobicContact CG2-CD2 4.46Å; I192-L196 PolarHBondContact O-N 3.37Å; T193-L196 PolarHBondContact O-N 3.5Å; T193-L196 VanDerWaalsContact O-N 3.12Å; L196-R198 VanDerWaalsContact C-N 3.33Å; L196-Y206 HydrophobicContact CD2-CE1 4.29Å; L196-Y206 HydrophobicContact CG-CE1 4.42Å
197I93.9Very high94.8Very high18 Ų1855.5 Ų55.59%0.09229%0.285CS..Hα-helixtrans-80.1-12.7-177.875.4176.5000113.2T193 D199 W200 I203 Y206T193-I197 HydrophobicContact CG2-CG2 4.25Å; T193-I197 WeakPolarHBondContact O-CG1 3.37Å; T193-I197 PolarHBondContact O-N 2.73Å; I197-D199 PolarHBondContact O-N 3.01Å; I197-W200 HydrophobicContact CB-CB 4.46Å; I197-W200 WeakPolarHBondContact O-CB 3.42Å; I197-W200 PolarHBondContact O-N 3.19Å; I197-I203 HydrophobicContact CD1-CG1 4.43Å; I197-Y206 HydrophobicContact CB-CD1 4.33Å; I197-Y206 HydrophobicContact CB-CD2 4.3Å; I197-Y206 HydrophobicContact CB-CG 4.04Å; I197-Y206 HydrophobicContact CG2-CD1 3.51Å; I197-Y206 HydrophobicContact CG2-CD2 4.32Å; I197-Y206 HydrophobicContact CG2-CE1 3.91Å; I197-Y206 HydrophobicContact CG2-CG 3.71Å
198R91.5Very high94.9Very high150 Ų15052 Ų5257%0.56626%0.256SS*.THydrogen-bonded Turntrans47.5-111.3171.4-57.9-178.9-177.6-177.61.2113.5P194 K195 L196 W200P194-R198 PolarHBondContact O-N 3.16Å; K195-R198 WeakPolarHBondContact O-CG 3.13Å; L196-R198 VanDerWaalsContact C-N 3.33Å; R198-W200 VanDerWaalsContact C-N 3.33Å
199D92.4Very high95Very high116 Ų11648.7 Ų48.762%0.6224%0.239SC*.THydrogen-bonded Turntrans-82.1-10.5-172.4-57-45.1000113.4N159 I197N159-D199 HydrophobicContact CB-CB 3.9Å; I197-D199 PolarHBondContact O-N 3.01Å
200W95.5Very high95.1Very high16 Ų1648.7 Ų48.76%0.06124%0.239CC..  trans-71.3131.7174.6-77.8-92.8000110.2S156 P171 I197 R198 N202 Y206 A209S156-W200 PolarHBondContact O-NE1 3.31Å; P171-W200 HydrophobicContact CG-CZ3 4.39Å; I197-W200 HydrophobicContact CB-CB 4.46Å; I197-W200 WeakPolarHBondContact O-CB 3.42Å; I197-W200 PolarHBondContact O-N 3.19Å; R198-W200 VanDerWaalsContact C-N 3.33Å; W200-N202 PolarHBondContact O-N 2.92Å; W200-Y206 AromaticContact CD2-CD2 3.82Å; W200-Y206 HydrophobicContact CD2-CD2 3.82Å; W200-Y206 AromaticContact CE3-CD2 3.87Å; W200-Y206 HydrophobicContact CE3-CD2 3.87Å; W200-Y206 HydrophobicContact CE3-CE2 4.38Å; W200-Y206 HydrophobicContact CG-CD2 4.18Å; W200-Y206 HydrophobicContact CZ3-CD2 4.29Å; W200-Y206 HydrophobicContact CZ3-CE2 4.43Å; W200-A209 HydrophobicContact CZ2-CB 4.12Å
201P94.3Very high95.2Very high44 Ų4444.1 Ų44.129%0.28622%0.215SC..SBendtrans-70.8-17.5-174.529.8-38.7000114.3C158 T205 Y393 F394C158-P201 VanDerWaalsContact SG-CD 3.56Å; P201-T205 WeakPolarHBondContact CD-OG1 2.97Å; P201-T205 HydrophobicContact CG-CG2 4.46Å; P201-Y393 HydrophobicContact CB-CD1 3.63Å; P201-Y393 HydrophobicContact CB-CD2 3.5Å; P201-Y393 HydrophobicContact CB-CE1 3.96Å; P201-Y393 HydrophobicContact CB-CE2 3.85Å; P201-Y393 HydrophobicContact CB-CG 3.38Å; P201-Y393 HydrophobicContact CG-CD1 3.57Å; P201-Y393 HydrophobicContact CG-CD2 4.28Å; P201-Y393 HydrophobicContact CG-CE1 3.63Å; P201-Y393 HydrophobicContact CG-CE2 4.33Å; P201-Y393 HydrophobicContact CG-CG 3.9Å; P201-F394 HydrophobicContact CG-CE1 4.46Å; P201-F394 HydrophobicContact CG-CE2 4.47Å; P201-F394 HydrophobicContact CG-CZ 3.86Å
202N95Very high95.3Very high12 Ų1237.1 Ų37.16%0.06418%0.182CC..SBendtrans-163.2162.3-179.256.667.3000111.6F117 W200 Y204 T205 Y206 F394F117-N202 HydrophobicContact CB-CB 4.11Å; F117-N202 HydrophobicContact CG-CB 4.27Å; W200-N202 PolarHBondContact O-N 2.92Å; N202-Y204 PolarHBondContact O-N 3.35Å; N202-Y204 WeakPolarHBondContact OD1-CB 3.42Å; N202-Y204 PolarHBondContact OD1-N 3.32Å; N202-T205 PolarHBondContact O-N 3.05Å; N202-T205 PolarHBondContact O-OG1 2.76Å; N202-T205 PolarHBondContact OD1-N 2.67Å; N202-T205 PolarHBondContact OD1-OG1 3.01Å; N202-Y206 PolarHBondContact O-N 2.93Å; N202-F394 WeakPolarHBondContact ND2-CE2 3.35Å; N202-F394 WeakPolarHBondContact ND2-CZ 3.35Å
203I95.4Very high95.4Very high20 Ų2035 Ų3510%0.10317%0.171CC..Hα-helixtrans-59.9-33.3-179.8-65.6162.6000112.1D119 L121 A124 T193 I197 T207D119-I203 WeakPolarHBondContact O-CD1 3.39Å; L121-I203 HydrophobicContact CD1-CG2 4.04Å; A124-I203 HydrophobicContact CB-CG2 3.39Å; T193-I203 HydrophobicContact CG2-CD1 3.92Å; T193-I203 HydrophobicContact CG2-CG1 3.96Å; I197-I203 HydrophobicContact CD1-CG1 4.43Å; I203-T207 HydrophobicContact CG2-CG2 4.02Å; I203-T207 WeakPolarHBondContact O-CB 3.22Å; I203-T207 VanDerWaalsContact O-CG2 3.32Å; I203-T207 WeakPolarHBondContact O-CG2 3.31Å; I203-T207 PolarHBondContact O-N 3.34Å; I203-T207 PolarHBondContact O-OG1 3.43Å
204Y95.6Very high95.5Very high30 Ų3034.6 Ų34.612%0.11817%0.168CC..Hα-helixtrans-60.9-55.6178.5166.1-106.1000111.6T114 V115 F117 T153 N202 Y206 T207 K208T114-Y204 WeakPolarHBondContact O-CD2 3.49Å; T114-Y204 WeakPolarHBondContact O-CE2 3.49Å; V115-Y204 HydrophobicContact CB-CD2 4.46Å; V115-Y204 HydrophobicContact CB-CE2 4.15Å; V115-Y204 HydrophobicContact CG1-CE2 3.87Å; F117-Y204 HydrophobicContact CD1-CD1 4.13Å; F117-Y204 HydrophobicContact CD1-CG 4.18Å; F117-Y204 AromaticContact CE1-CD1 3.51Å; F117-Y204 HydrophobicContact CE1-CD1 3.51Å; F117-Y204 HydrophobicContact CE1-CE1 4.27Å; F117-Y204 AromaticContact CE1-CG 3.99Å; F117-Y204 HydrophobicContact CE1-CG 3.99Å; F117-Y204 HydrophobicContact CZ-CD1 4.48Å; T153-Y204 HydrophobicContact CG2-CE1 3.95Å; N202-Y204 PolarHBondContact O-N 3.35Å; N202-Y204 WeakPolarHBondContact OD1-CB 3.42Å; N202-Y204 PolarHBondContact OD1-N 3.32Å; Y204-Y206 VanDerWaalsContact C-N 3.3Å; Y204-Y206 PolarHBondContact O-N 2.9Å; Y204-T207 PolarHBondContact O-N 3.5Å; Y204-T207 PolarHBondContact O-OG1 3Å; Y204-T207 VanDerWaalsContact O-OG1 3.12Å; Y204-K208 HydrophobicContact CD2-CG 3.96Å; Y204-K208 HydrophobicContact CE1-CG 4.46Å; Y204-K208 HydrophobicContact CE2-CD 3.92Å; Y204-K208 HydrophobicContact CE2-CG 3.56Å; Y204-K208 WeakPolarHBondContact O-CG 3.18Å; Y204-K208 PolarHBondContact O-N 3.21Å
205T96.4Very high95.7Very high0 Ų030.6 Ų30.60%014%0.142CC..Hα-helixtrans-60.5-41.1-179.4520000112.2Y155 P201 N202 K208 A209 F394Y155-T205 WeakPolarHBondContact O-CB 3.21Å; Y155-T205 VanDerWaalsContact O-CG2 3.27Å; Y155-T205 WeakPolarHBondContact O-CG2 3.46Å; P201-T205 WeakPolarHBondContact CD-OG1 2.97Å; P201-T205 HydrophobicContact CG-CG2 4.46Å; N202-T205 PolarHBondContact O-N 3.05Å; N202-T205 PolarHBondContact O-OG1 2.76Å; N202-T205 PolarHBondContact OD1-N 2.67Å; N202-T205 PolarHBondContact OD1-OG1 3.01Å; T205-K208 PolarHBondContact O-N 3.28Å; T205-A209 PolarHBondContact O-N 3.07Å; T205-A209 VanDerWaalsContact O-N 3.11Å; T205-F394 HydrophobicContact CG2-CE1 4.27Å; T205-F394 HydrophobicContact CG2-CZ 3.83Å
206Y96.5Very high95.8Very high2 Ų227.2 Ų27.21%0.00813%0.129CC..Hα-helixtrans-60.8-50.5175.8176.7-111.6000112.7L121 I177 L196 I197 W200 N202 Y204 K208 A209 L210L121-Y206 HydrophobicContact CD1-CD1 4.25Å; L121-Y206 HydrophobicContact CD1-CE1 4.24Å; I177-Y206 HydrophobicContact CD1-CE1 4.48Å; I177-Y206 WeakPolarHBondContact CD1-OH 3.22Å; L196-Y206 HydrophobicContact CD2-CE1 4.29Å; L196-Y206 HydrophobicContact CG-CE1 4.42Å; I197-Y206 HydrophobicContact CB-CD1 4.33Å; I197-Y206 HydrophobicContact CB-CD2 4.3Å; I197-Y206 HydrophobicContact CB-CG 4.04Å; I197-Y206 HydrophobicContact CG2-CD1 3.51Å; I197-Y206 HydrophobicContact CG2-CD2 4.32Å; I197-Y206 HydrophobicContact CG2-CE1 3.91Å; I197-Y206 HydrophobicContact CG2-CG 3.71Å; W200-Y206 AromaticContact CD2-CD2 3.82Å; W200-Y206 HydrophobicContact CD2-CD2 3.82Å; W200-Y206 AromaticContact CE3-CD2 3.87Å; W200-Y206 HydrophobicContact CE3-CD2 3.87Å; W200-Y206 HydrophobicContact CE3-CE2 4.38Å; W200-Y206 HydrophobicContact CG-CD2 4.18Å; W200-Y206 HydrophobicContact CZ3-CD2 4.29Å; W200-Y206 HydrophobicContact CZ3-CE2 4.43Å; N202-Y206 PolarHBondContact O-N 2.93Å; Y204-Y206 VanDerWaalsContact C-N 3.3Å; Y204-Y206 PolarHBondContact O-N 2.9Å; Y206-K208 VanDerWaalsContact C-N 3.3Å; Y206-K208 PolarHBondContact O-N 3.02Å; Y206-A209 WeakPolarHBondContact O-CB 3.06Å; Y206-A209 PolarHBondContact O-N 3.34Å; Y206-A209 VanDerWaalsContact O-N 3.16Å; Y206-L210 HydrophobicContact CD1-CD1 4Å; Y206-L210 HydrophobicContact CE1-CD1 3.48Å; Y206-L210 VanDerWaalsContact CE1-CD1 3.48Å; Y206-L210 HydrophobicContact CE1-CG 4.28Å; Y206-L210 HydrophobicContact CE2-CD1 4.45Å; Y206-L210 HydrophobicContact CE2-CG 4.44Å; Y206-L210 PolarHBondContact O-N 2.94Å
207T97.1Very high95.8Very high0 Ų029.7 Ų29.70%014%0.14CC..Hα-helixtrans-70.3-25.4-178.955.10000113.1L121 A124 V125 N128 I203 Y204 G211L121-T207 HydrophobicContact CD1-CG2 4.4Å; A124-T207 HydrophobicContact CB-CG2 3.85Å; V125-T207 HydrophobicContact CG2-CG2 3.78Å; N128-T207 PolarHBondContact ND2-OG1 3.07Å; I203-T207 HydrophobicContact CG2-CG2 4.02Å; I203-T207 WeakPolarHBondContact O-CB 3.22Å; I203-T207 VanDerWaalsContact O-CG2 3.32Å; I203-T207 WeakPolarHBondContact O-CG2 3.31Å; I203-T207 PolarHBondContact O-N 3.34Å; I203-T207 PolarHBondContact O-OG1 3.43Å; Y204-T207 PolarHBondContact O-N 3.5Å; Y204-T207 PolarHBondContact O-OG1 3Å; Y204-T207 VanDerWaalsContact O-OG1 3.12Å; T207-G211 PolarHBondContact O-N 2.98Å
208K97.8Very high95.8Very high4 Ų430.2 Ų30.22%0.01714%0.142CC..Hα-helixtrans-69-39.5169.4-68.4-58.1-64.91640112H150 I151 S152 T153 Y204 T205 Y206 G211 E212H150-K208 PolarHBondContact NE2-NZ 3.46Å; I151-K208 PolarHBondContact O-NZ 2.88Å; S152-K208 VanDerWaalsContact CA-CE 3.41Å; T153-K208 HydrophobicContact CG2-CB 3.92Å; T153-K208 HydrophobicContact CG2-CG 3.93Å; Y204-K208 HydrophobicContact CD2-CG 3.96Å; Y204-K208 HydrophobicContact CE1-CG 4.46Å; Y204-K208 HydrophobicContact CE2-CD 3.92Å; Y204-K208 HydrophobicContact CE2-CG 3.56Å; Y204-K208 WeakPolarHBondContact O-CG 3.18Å; Y204-K208 PolarHBondContact O-N 3.21Å; T205-K208 PolarHBondContact O-N 3.28Å; Y206-K208 VanDerWaalsContact C-N 3.3Å; Y206-K208 PolarHBondContact O-N 3.02Å; K208-G211 PolarHBondContact O-N 3.18Å; K208-E212 WeakPolarHBondContact O-CG 3.39Å; K208-E212 PolarHBondContact O-N 3.19Å; K208-E212 VanDerWaalsContact O-N 3.1Å
209A97.6Very high95.6Very high1 Ų124.7 Ų24.71%0.00813%0.126CC..Hα-helixtrans-61.7-44.7172.100000111.8S156 W200 T205 Y206 G211 E212 M213S156-A209 WeakPolarHBondContact O-CB 3.47Å; W200-A209 HydrophobicContact CZ2-CB 4.12Å; T205-A209 PolarHBondContact O-N 3.07Å; T205-A209 VanDerWaalsContact O-N 3.11Å; Y206-A209 WeakPolarHBondContact O-CB 3.06Å; Y206-A209 PolarHBondContact O-N 3.34Å; Y206-A209 VanDerWaalsContact O-N 3.16Å; A209-G211 VanDerWaalsContact C-N 3.32Å; A209-G211 PolarHBondContact O-N 2.95Å; A209-E212 PolarHBondContact O-N 3.37Å; A209-M213 PolarHBondContact O-N 2.84Å; A209-M213 VanDerWaalsContact O-N 3.17Å
210L97.4Very high95.3Very high1 Ų126.3 Ų26.31%0.00512%0.124CC..Hα-helixtrans-60.9-39.9174.2-67.9177.3000112.7V129 C170 P174 I177 Y206 E212 M213 V214V129-L210 HydrophobicContact CG1-CB 4.22Å; V129-L210 HydrophobicContact CG2-CB 3.67Å; V129-L210 HydrophobicContact CG2-CD1 4.32Å; C170-L210 HydrophobicContact CB-CD2 3.95Å; P174-L210 HydrophobicContact CG-CD2 4.2Å; I177-L210 HydrophobicContact CD1-CD1 3.57Å; I177-L210 HydrophobicContact CD1-CD2 3.61Å; I177-L210 HydrophobicContact CD1-CG 4.25Å; Y206-L210 HydrophobicContact CD1-CD1 4Å; Y206-L210 HydrophobicContact CE1-CD1 3.48Å; Y206-L210 VanDerWaalsContact CE1-CD1 3.48Å; Y206-L210 HydrophobicContact CE1-CG 4.28Å; Y206-L210 HydrophobicContact CE2-CD1 4.45Å; Y206-L210 HydrophobicContact CE2-CG 4.44Å; Y206-L210 PolarHBondContact O-N 2.94Å; L210-E212 VanDerWaalsContact C-N 3.32Å; L210-E212 PolarHBondContact O-N 2.93Å; L210-M213 WeakPolarHBondContact O-CB 3.4Å; L210-M213 PolarHBondContact O-N 2.94Å; L210-V214 PolarHBondContact O-N 2.94Å
211G97.6Very high94.9Very high0 Ų033.5 Ų33.50%016%0.163CC..Hα-helixtrans-60.7-39.9176.400000112.6T207 K208 A209 V214 V215T207-G211 PolarHBondContact O-N 2.98Å; K208-G211 PolarHBondContact O-N 3.18Å; A209-G211 VanDerWaalsContact C-N 3.32Å; A209-G211 PolarHBondContact O-N 2.95Å; G211-V214 PolarHBondContact O-N 3.4Å; G211-V215 WeakPolarHBondContact O-CG2 3.46Å; G211-V215 PolarHBondContact O-N 3.27Å
212E98Very high95Very high1 Ų132.8 Ų32.81%0.00516%0.157CC..Hα-helixtrans-65.4-39174.7-66.1174.3-177.200112.5S152 S156 I167 K208 A209 L210 V214 V215 Q216 I226 R228S152-E212 WeakPolarHBondContact CB-OE1 3.48Å; S152-E212 WeakPolarHBondContact OG-CG 3.3Å; S152-E212 PolarHBondContact OG-OE1 3.19Å; S156-E212 WeakPolarHBondContact CB-OE1 3.32Å; S156-E212 PolarHBondContact OG-OE1 2.81Å; S156-E212 PolarHBondContact OG-OE2 3.46Å; I167-E212 HydrophobicContact CG2-CB 4.27Å; K208-E212 WeakPolarHBondContact O-CG 3.39Å; K208-E212 PolarHBondContact O-N 3.19Å; K208-E212 VanDerWaalsContact O-N 3.1Å; A209-E212 PolarHBondContact O-N 3.37Å; L210-E212 VanDerWaalsContact C-N 3.32Å; L210-E212 PolarHBondContact O-N 2.93Å; E212-V214 VanDerWaalsContact C-N 3.34Å; E212-V215 WeakPolarHBondContact O-CB 3.5Å; E212-V215 PolarHBondContact O-N 3.09Å; E212-Q216 PolarHBondContact O-N 3.1Å; E212-I226 HydrophobicContact CB-CD1 4.17Å; E212-I226 HydrophobicContact CG-CD1 4.2Å; E212-I226 HydrophobicContact CG-CG2 4.26Å; E212-R228 IonicContact OE1-CZ 3.53Å; E212-R228 IonicContact OE1-NE 3.42Å; E212-R228 PolarHBondContact OE1-NE 3.24Å; E212-R228 IonicContact OE1-NH2 2.76Å; E212-R228 IonicContact OE2-CZ 4Å; E212-R228 IonicContact OE2-NE 2.64Å; E212-R228 PolarHBondContact OE2-NE 2.93Å; E212-R228 IonicContact OE2-NH2 3.34Å; E212-R228 PolarHBondContact OE2-NH2 3.45Å
213M96.9Very high95.1Very high16 Ų1633.5 Ų33.58%0.07916%0.161CC..Hα-helixtrans-63-41.1173.7-73.1-169.377.400112.3C170 P174 A209 L210 V215 Q216 Q217C170-M213 HydrophobicContact CB-SD 3.28Å; C170-M213 WeakPolarHBondContact CB-SD 3.41Å; C170-M213 PolarHBondContact N-SD 3.22Å; C170-M213 PolarHBondContact SG-SD 3.39Å; P174-M213 HydrophobicContact CG-CB 3.76Å; P174-M213 HydrophobicContact CG-SD 4.3Å; A209-M213 PolarHBondContact O-N 2.84Å; A209-M213 VanDerWaalsContact O-N 3.17Å; L210-M213 WeakPolarHBondContact O-CB 3.4Å; L210-M213 PolarHBondContact O-N 2.94Å; M213-V215 VanDerWaalsContact C-N 3.28Å; M213-V215 PolarHBondContact O-N 3.4Å; M213-Q216 WeakPolarHBondContact O-CB 3.47Å; M213-Q216 PolarHBondContact O-N 2.8Å; M213-Q216 VanDerWaalsContact O-N 3.17Å; M213-Q217 WeakPolarHBondContact O-CB 3.43Å; M213-Q217 VanDerWaalsContact O-CG 3.29Å; M213-Q217 WeakPolarHBondContact O-CG 3.5Å; M213-Q217 PolarHBondContact O-N 2.8Å
214V97.2Very high95.2Very high2 Ų233 Ų331%0.01216%0.158CC..Hα-helixtrans-60.5-42174.7162.90000110.9V129 T132 R133 L136 P174 L210 G211 E212 Q216 Q217 E218V129-V214 HydrophobicContact CG1-CG2 3.53Å; T132-V214 HydrophobicContact CG2-CG1 4.37Å; R133-V214 HydrophobicContact CB-CG1 3.55Å; R133-V214 HydrophobicContact CG-CG1 4.21Å; L136-V214 HydrophobicContact CD1-CG1 4.06Å; P174-V214 HydrophobicContact CB-CG2 3.55Å; P174-V214 HydrophobicContact CG-CG2 3.91Å; L210-V214 PolarHBondContact O-N 2.94Å; G211-V214 PolarHBondContact O-N 3.4Å; E212-V214 VanDerWaalsContact C-N 3.34Å; V214-Q216 VanDerWaalsContact C-N 3.27Å; V214-Q216 PolarHBondContact O-N 3.43Å; V214-Q217 PolarHBondContact O-N 3.35Å; V214-E218 HydrophobicContact CG1-CG 4.41Å; V214-E218 WeakPolarHBondContact O-CB 3.38Å; V214-E218 PolarHBondContact O-N 3.37Å
215V97.3Very high95.4Very high0 Ų031.5 Ų31.50%015%0.152CC..Hα-helixtrans-57.2-43.2174.91700000111.3T132 L136 H150 G211 E212 M213 S219 I224 I226 T300T132-V215 HydrophobicContact CG2-CG2 3.82Å; L136-V215 HydrophobicContact CD1-CB 4.4Å; L136-V215 HydrophobicContact CD1-CG2 4.03Å; H150-V215 HydrophobicContact CB-CG2 4.09Å; G211-V215 WeakPolarHBondContact O-CG2 3.46Å; G211-V215 PolarHBondContact O-N 3.27Å; E212-V215 WeakPolarHBondContact O-CB 3.5Å; E212-V215 PolarHBondContact O-N 3.09Å; M213-V215 VanDerWaalsContact C-N 3.28Å; M213-V215 PolarHBondContact O-N 3.4Å; V215-S219 WeakPolarHBondContact O-CB 3.35Å; V215-S219 PolarHBondContact O-N 3.1Å; V215-I224 HydrophobicContact CG1-CD1 4.37Å; V215-I224 HydrophobicContact CG1-CG2 3.5Å; V215-I224 VanDerWaalsContact CG1-CG2 3.5Å; V215-I226 HydrophobicContact CB-CD1 4.22Å; V215-I226 HydrophobicContact CG1-CD1 3.88Å; V215-I226 HydrophobicContact CG1-CG1 4Å; V215-T300 HydrophobicContact CG1-CG2 4.37Å
216Q94.8Very high95.5Very high97 Ų9731.5 Ų31.545%0.45315%0.152SC..Hα-helixtrans-67.1-42.6176.6-167.5177.539.200112.8I167 E212 M213 V214 S219I167-Q216 HydrophobicContact CD1-CB 3.77Å; I167-Q216 HydrophobicContact CD1-CG 4.13Å; I167-Q216 HydrophobicContact CG2-CB 4.35Å; E212-Q216 PolarHBondContact O-N 3.1Å; M213-Q216 WeakPolarHBondContact O-CB 3.47Å; M213-Q216 PolarHBondContact O-N 2.8Å; M213-Q216 VanDerWaalsContact O-N 3.17Å; V214-Q216 VanDerWaalsContact C-N 3.27Å; V214-Q216 PolarHBondContact O-N 3.43Å; Q216-S219 PolarHBondContact O-OG 3.48Å
217Q94.4Very high95.6Very high94 Ų9431.4 Ų31.444%0.43915%0.152SC..Hα-helixtrans-70.8-35.6-176-73.6175.3-1300112.8M213 V214M213-Q217 WeakPolarHBondContact O-CB 3.43Å; M213-Q217 VanDerWaalsContact O-CG 3.29Å; M213-Q217 WeakPolarHBondContact O-CG 3.5Å; M213-Q217 PolarHBondContact O-N 2.8Å; V214-Q217 PolarHBondContact O-N 3.35Å
218E93.7Very high95.7Very high29 Ų2931.4 Ų31.414%0.13615%0.152CC..THydrogen-bonded Turntrans-101.215.6-177.1-57.6-73.9-177.800111.8R133 L136 V214 R220R133-E218 HydrophobicContact CG-CG 4.13Å; R133-E218 IonicContact CZ-OE1 2.89Å; R133-E218 IonicContact NE-OE1 3.63Å; R133-E218 PolarHBondContact NE-OE1 3.38Å; R133-E218 IonicContact NH2-OE1 3.33Å; R133-E218 PolarHBondContact NH2-OE1 3.03Å; L136-E218 HydrophobicContact CB-CB 4.11Å; L136-E218 HydrophobicContact CD1-CB 4.04Å; V214-E218 HydrophobicContact CG1-CG 4.41Å; V214-E218 WeakPolarHBondContact O-CB 3.38Å; V214-E218 PolarHBondContact O-N 3.37Å; E218-R220 VanDerWaalsContact C-N 3.27Å; E218-R220 PolarHBondContact O-N 3.1Å; E218-R220 IonicContact OE2-NH2 3.9Å
219S87.7Confident95.7Very high33 Ų3331.6 Ų31.623%0.23115%0.153CC..  trans-62.9-32.7-174.669.30000113.2V215 Q216 N221 L222V215-S219 WeakPolarHBondContact O-CB 3.35Å; V215-S219 PolarHBondContact O-N 3.1Å; Q216-S219 PolarHBondContact O-OG 3.48Å; S219-N221 PolarHBondContact O-N 3.19Å; S219-L222 VanDerWaalsContact O-CB 3.27Å; S219-L222 WeakPolarHBondContact O-CB 3.25Å; S219-L222 PolarHBondContact O-N 3.36Å
220R84.8Confident95.7Very high151 Ų15131.7 Ų31.757%0.5715%0.154SC*.THydrogen-bonded Turntrans41.9-125.8179.6-60.3-178.3-178.6-165.8-3.8111L137 E218L137-R220 VanDerWaalsContact CD2-NH2 3.32Å; E218-R220 VanDerWaalsContact C-N 3.27Å; E218-R220 PolarHBondContact O-N 3.1Å; E218-R220 IonicContact OE2-NH2 3.9Å
221N87.6Confident95.6Very high166 Ų16633.5 Ų33.589%0.88816%0.163SC*.THydrogen-bonded Turntrans-98.314.6177-63.7-20000113S219S219-N221 PolarHBondContact O-N 3.19Å
222L96.2Very high95.6Very high30 Ų3035.4 Ų35.416%0.15718%0.175CC..  trans-80.9138.5-177.5-62.7178.3000110.9L136 A139 L145 S219 I224L136-L222 HydrophobicContact CD2-CD1 4.22Å; A139-L222 HydrophobicContact CB-CD1 3.99Å; L145-L222 HydrophobicContact CD2-CD2 3.73Å; S219-L222 VanDerWaalsContact O-CB 3.27Å; S219-L222 WeakPolarHBondContact O-CB 3.25Å; S219-L222 PolarHBondContact O-N 3.36Å; L222-I224 HydrophobicContact CB-CD1 3.81Å; L222-I224 HydrophobicContact CB-CG1 3.68Å; L222-I224 HydrophobicContact CD1-CD1 4.34Å; L222-I224 PolarHBondContact O-N 3.22Å
223N97.6Very high95.6Very high27 Ų2735.4 Ų35.414%0.14418%0.175CC..  trans-78.3101.6168.2-54.4-48.2000108.5E146 A147 F148 T292E146-N223 WeakPolarHBondContact O-CB 3.49Å; E146-N223 PolarHBondContact O-ND2 2.79Å; A147-N223 WeakPolarHBondContact CA-O 3.32Å; F148-N223 PolarHBondContact N-O 3.39Å; N223-T292 HydrophobicContact CB-CG2 3.75Å; N223-T292 WeakPolarHBondContact O-CG2 3.47Å
224I98.2Very high95.7Very high8 Ų834.6 Ų34.64%0.04117%0.171CC..EExtended strand (participates in β ladder)trans-115.7142.4-175.4-56163.5000110.9L136 F148 V215 L222 T300L136-I224 HydrophobicContact CD2-CD1 3.8Å; F148-I224 HydrophobicContact CB-CG1 4.05Å; F148-I224 HydrophobicContact CD1-CG1 4.48Å; F148-I224 HydrophobicContact CD1-CG2 4.05Å; F148-I224 HydrophobicContact CG-CG1 4.48Å; F148-I224 VanDerWaalsContact O-CA 3.3Å; F148-I224 WeakPolarHBondContact O-CA 3.45Å; F148-I224 WeakPolarHBondContact O-CG2 3.44Å; V215-I224 HydrophobicContact CG1-CD1 4.37Å; V215-I224 HydrophobicContact CG1-CG2 3.5Å; V215-I224 VanDerWaalsContact CG1-CG2 3.5Å; L222-I224 HydrophobicContact CB-CD1 3.81Å; L222-I224 HydrophobicContact CB-CG1 3.68Å; L222-I224 HydrophobicContact CD1-CD1 4.34Å; L222-I224 PolarHBondContact O-N 3.22Å; I224-T300 HydrophobicContact CB-CG2 4.22Å; I224-T300 HydrophobicContact CG2-CG2 4.01Å
225A98.6Very high95.7Very high0 Ų034.5 Ų34.50%017%0.17CC..EExtended strand (participates in β ladder)trans-131.4152.6163.300000111.5F148 I149 H150 V288 T292 L301 Y303F148-A225 PolarHBondContact O-N 3.14Å; F148-A225 VanDerWaalsContact O-N 3.07Å; I149-A225 HydrophobicContact CD1-CB 4.01Å; H150-A225 PolarHBondContact N-O 2.74Å; A225-V288 HydrophobicContact CB-CG1 3.47Å; A225-V288 VanDerWaalsContact CB-CG1 3.47Å; A225-T292 HydrophobicContact CB-CG2 4.5Å; A225-T292 WeakPolarHBondContact CB-OG1 3.04Å; A225-L301 WeakPolarHBondContact CA-O 3.4Å; A225-Y303 HydrophobicContact CB-CD2 4.31Å; A225-Y303 HydrophobicContact CB-CE2 3.89Å
226I98.8Very high95.7Very high0 Ų035.7 Ų35.70%018%0.175CC..EExtended strand (participates in β ladder)trans-114.2129.9176.5-61.4173.7000108.5H150 I167 E212 V215 R228 T300 L301 V302 Y303H150-I226 HydrophobicContact CB-CG1 4.23Å; H150-I226 WeakPolarHBondContact O-CA 3.42Å; I167-I226 HydrophobicContact CD1-CD1 3.53Å; I167-I226 HydrophobicContact CG1-CD1 3.86Å; E212-I226 HydrophobicContact CB-CD1 4.17Å; E212-I226 HydrophobicContact CG-CD1 4.2Å; E212-I226 HydrophobicContact CG-CG2 4.26Å; V215-I226 HydrophobicContact CB-CD1 4.22Å; V215-I226 HydrophobicContact CG1-CD1 3.88Å; V215-I226 HydrophobicContact CG1-CG1 4Å; I226-R228 HydrophobicContact CG2-CG 4.27Å; I226-T300 HydrophobicContact CD1-CG2 4.09Å; I226-T300 HydrophobicContact CG1-CG2 3.99Å; I226-L301 PolarHBondContact N-O 2.98Å; I226-V302 HydrophobicContact CB-CG1 4.39Å; I226-V302 HydrophobicContact CB-CG2 4.25Å; I226-V302 HydrophobicContact CD1-CG2 4.47Å; I226-V302 HydrophobicContact CG2-CG1 4.32Å; I226-V302 CarbonylContact O-C 3.57Å; I226-V302 VanDerWaalsContact O-CA 3.29Å; I226-V302 WeakPolarHBondContact O-CA 3.28Å; I226-Y303 PolarHBondContact O-N 3.06Å
227I98.8Very high95.8Very high0 Ų035.4 Ų35.40%017%0.173CC..EExtended strand (participates in β ladder)trans-113.7130.3174.8-58.3171.3000108.7I149 H150 I151 S152 P229 L284 M285 V288 Y303 I305I149-I227 HydrophobicContact CG2-CD1 3.56Å; I149-I227 HydrophobicContact CG2-CG1 4.18Å; H150-I227 PolarHBondContact O-N 3.39Å; I151-I227 HydrophobicContact CD1-CB 3.98Å; I151-I227 HydrophobicContact CD1-CD1 4.11Å; I151-I227 HydrophobicContact CD1-CG1 4.48Å; S152-I227 WeakPolarHBondContact CA-O 3.4Å; S152-I227 PolarHBondContact N-O 3.17Å; I227-P229 WeakPolarHBondContact O-CD 3.46Å; I227-L284 HydrophobicContact CG2-CD2 3.99Å; I227-M285 HydrophobicContact CD1-CB 4.04Å; I227-M285 HydrophobicContact CD1-CG 3.6Å; I227-V288 HydrophobicContact CD1-CB 3.89Å; I227-V288 HydrophobicContact CD1-CG1 4.05Å; I227-V288 HydrophobicContact CD1-CG2 3.98Å; I227-V288 HydrophobicContact CG1-CB 4.43Å; I227-V288 HydrophobicContact CG1-CG1 4.21Å; I227-V288 HydrophobicContact CG1-CG2 4.23Å; I227-Y303 WeakPolarHBondContact CA-O 3.47Å; I227-I305 HydrophobicContact CG2-CG2 4.17Å
228R98.5Very high95.9Very high0 Ų033.1 Ų33.10%016%0.163CC..EExtended strand (participates in β ladder)trans-119.289-175.9-79.6178.7179.9159.14.3109.4T153 D164 V166 E212 I226 V302 Y303 H304 I305T153-R228 WeakPolarHBondContact O-CG 3.38Å; D164-R228 PolarHBondContact O-NH1 2.81Å; V166-R228 PolarHBondContact O-NH1 2.88Å; V166-R228 VanDerWaalsContact O-NH1 3.17Å; V166-R228 PolarHBondContact O-NH2 3.24Å; E212-R228 IonicContact OE1-CZ 3.53Å; E212-R228 IonicContact OE1-NE 3.42Å; E212-R228 PolarHBondContact OE1-NE 3.24Å; E212-R228 IonicContact OE1-NH2 2.76Å; E212-R228 IonicContact OE2-CZ 4Å; E212-R228 IonicContact OE2-NE 2.64Å; E212-R228 PolarHBondContact OE2-NE 2.93Å; E212-R228 IonicContact OE2-NH2 3.34Å; E212-R228 PolarHBondContact OE2-NH2 3.45Å; I226-R228 HydrophobicContact CG2-CG 4.27Å; R228-V302 HydrophobicContact CG-CG1 4.22Å; R228-Y303 PolarHBondContact N-O 3.35Å; R228-H304 VanDerWaalsContact CD-CD2 3.47Å; R228-H304 WeakPolarHBondContact CD-CD2 3.28Å; R228-H304 WeakPolarHBondContact CD-NE2 3.48Å; R228-H304 PolarHBondContact NH1-NE2 3.02Å; R228-I305 PolarHBondContact O-N 2.73Å; R228-I305 VanDerWaalsContact O-N 3.1Å
229P98.3Very high95.9Very high7 Ų733.2 Ų33.25%0.04517%0.166CC..EExtended strand (participates in β ladder)trans-73.3148.2171.230-34.4000111.8I151 S152 T153 A154 I227 V232 I276 V281 I305I151-P229 HydrophobicContact CG2-CG 4.33Å; S152-P229 WeakPolarHBondContact O-CD 3.46Å; T153-P229 WeakPolarHBondContact CA-O 3.33Å; T153-P229 PolarHBondContact OG1-O 2.88Å; A154-P229 PolarHBondContact N-O 3.37Å; I227-P229 WeakPolarHBondContact O-CD 3.46Å; P229-V232 HydrophobicContact CB-CG2 3.85Å; P229-V232 HydrophobicContact CG-CG2 4.15Å; P229-I276 HydrophobicContact CB-CG2 4.26Å; P229-V281 HydrophobicContact CB-CG1 4.03Å; P229-V281 HydrophobicContact CB-CG2 3.99Å; P229-V281 HydrophobicContact CG-CG1 4.38Å; P229-I305 VanDerWaalsContact CA-CG2 3.49Å; P229-I305 WeakPolarHBondContact CA-O 3.46Å; P229-I305 HydrophobicContact CB-CG2 3.71Å
230S97.2Very high96.3Very high4 Ų433.6 Ų33.63%0.02816%0.163CC..SBendtrans-75.5-153.3162.971.20000111.1V232 D274 I305S230-V232 PolarHBondContact O-N 3.09Å; S230-D274 WeakPolarHBondContact CB-O 3.33Å; S230-D274 PolarHBondContact OG-O 3.03Å; S230-I305 PolarHBondContact N-O 2.79Å; S230-I305 VanDerWaalsContact N-O 3.1Å
231I96.5Very high96.9Very high38 Ų3829.2 Ų29.220%0.19516%0.155CC..EExtended strand (participates in β ladder)trans-66.6102.2-176.9-56.1172.2000109.7Y155 G233 P250 D274 V275 I276 W315Y155-I231 HydrophobicContact CE2-CG1 3.76Å; I231-G233 PolarHBondContact O-N 2.84Å; I231-P250 HydrophobicContact CG2-CG 3.4Å; I231-P250 VanDerWaalsContact CG2-CG 3.4Å; I231-D274 WeakPolarHBondContact CB-O 3.23Å; I231-D274 PolarHBondContact N-O 3.09Å; I231-V275 HydrophobicContact CB-CG2 4.44Å; I231-V275 CarbonylContact O-C 3.52Å; I231-V275 VanDerWaalsContact O-CA 3.29Å; I231-V275 WeakPolarHBondContact O-CA 3.43Å; I231-I276 PolarHBondContact O-N 2.73Å; I231-W315 HydrophobicContact CD1-CH2 4.12Å; I231-W315 HydrophobicContact CD1-CZ2 4.28Å
232V97.3Very high97.3Very high41 Ų4121.3 Ų21.325%0.24811%0.112CC..EExtended strand (participates in β ladder)trans-67.3118.2-179.4-171.30000110.5F21 P229 S230 I276 V278 V281F21-V232 HydrophobicContact CD1-CG1 4.36Å; F21-V232 HydrophobicContact CE1-CG1 3.86Å; P229-V232 HydrophobicContact CB-CG2 3.85Å; P229-V232 HydrophobicContact CG-CG2 4.15Å; S230-V232 PolarHBondContact O-N 3.09Å; V232-I276 CarbonylContact C-O 3.6Å; V232-I276 WeakPolarHBondContact CA-O 3.47Å; V232-I276 HydrophobicContact CG2-CG2 4.18Å; V232-V278 HydrophobicContact CG1-CB 3.59Å; V232-V278 HydrophobicContact CG1-CG2 3.75Å; V232-V281 HydrophobicContact CG2-CG2 4.39Å
233G97.3Very high97.3Very high0 Ų020.5 Ų20.50%011%0.107CC..EExtended strand (participates in β ladder)trans-103.9-160.1-18000000113.4F21 I231 I276 Y437F21-G233 WeakPolarHBondContact CE1-O 3.39Å; F21-G233 VanDerWaalsContact CZ-O 3.24Å; F21-G233 WeakPolarHBondContact CZ-O 3.29Å; I231-G233 PolarHBondContact O-N 2.84Å; G233-I276 PolarHBondContact N-O 2.94Å; G233-Y437 WeakPolarHBondContact CA-OH 3.16Å
234A97.9Very high97.3Very high0 Ų019.2 Ų19.20%010%0.1CC..SBendtrans-66.4164.8177.200000112.6W243 V244 P277 V278 Y433 Y437A234-W243 WeakPolarHBondContact CA-O 3.36Å; A234-V244 HydrophobicContact CB-CG1 3.57Å; A234-P277 VanDerWaalsContact O-CA 3.28Å; A234-P277 WeakPolarHBondContact O-CA 3.15Å; A234-P277 WeakPolarHBondContact O-CB 3.44Å; A234-V278 PolarHBondContact O-N 3.06Å; A234-Y433 PolarHBondContact N-OH 2.8Å; A234-Y433 PolarHBondContact O-OH 3.32Å; A234-Y433 VanDerWaalsContact O-OH 3.1Å; A234-Y437 HydrophobicContact CB-CD1 3.73Å; A234-Y437 HydrophobicContact CB-CD2 3.9Å; A234-Y437 HydrophobicContact CB-CE1 3.86Å; A234-Y437 HydrophobicContact CB-CE2 3.98Å; A234-Y437 HydrophobicContact CB-CG 3.74Å
235T98.3Very high97.1Very high0 Ų021.3 Ų21.30%011%0.111CC..  trans-61.8137.616855.20000110.1E238 F240 G242 W243 V278 D279T235-E238 WeakPolarHBondContact CB-O 3.48Å; T235-E238 WeakPolarHBondContact CG2-O 3.45Å; T235-F240 PolarHBondContact OG1-O 3.01Å; T235-G242 PolarHBondContact O-N 3.26Å; T235-G242 PolarHBondContact OG1-N 3.35Å; T235-W243 HydrophobicContact CG2-CB 3.98Å; T235-W243 HydrophobicContact CG2-CE3 4.35Å; T235-W243 PolarHBondContact N-O 3.23Å; T235-W243 VanDerWaalsContact N-O 3.17Å; T235-W243 WeakPolarHBondContact OG1-CB 3.47Å; T235-W243 PolarHBondContact OG1-N 3.18Å; T235-V278 HydrophobicContact CG2-CG1 3.44Å; T235-V278 VanDerWaalsContact CG2-CG1 3.44Å; T235-D279 WeakPolarHBondContact CA-OD1 3.2Å; T235-D279 HydrophobicContact CG2-CB 4.44Å
236W98.1Very high96.8Very high24 Ų2422.9 Ų22.99%0.09112%0.12CC..SBendtrans-85.1-52.3175170.330.4000111.2P241 P277 D279 T280 Q427 L428 Y433W236-P241 WeakPolarHBondContact O-CB 3.45Å; W236-P241 WeakPolarHBondContact O-CG 3.12Å; W236-P277 HydrophobicContact CB-CB 3.57Å; W236-P277 HydrophobicContact CB-CG 3.72Å; W236-P277 HydrophobicContact CG-CG 4.48Å; W236-D279 VanDerWaalsContact N-CG 3.32Å; W236-D279 PolarHBondContact N-OD1 3.01Å; W236-D279 PolarHBondContact N-OD2 3.37Å; W236-D279 VanDerWaalsContact N-OD2 3.17Å; W236-T280 HydrophobicContact CE3-CG2 3.93Å; W236-T280 HydrophobicContact CZ3-CG2 4.43Å; W236-Q427 HydrophobicContact CH2-CB 3.75Å; W236-Q427 HydrophobicContact CZ2-CB 4.46Å; W236-L428 HydrophobicContact CB-CD1 4.17Å; W236-L428 HydrophobicContact CD2-CD1 3.39Å; W236-L428 VanDerWaalsContact CE2-CD1 3.41Å; W236-L428 HydrophobicContact CE3-CD1 4.1Å; W236-L428 HydrophobicContact CG-CD1 3.38Å; W236-L428 HydrophobicContact CH2-CB 4.44Å; W236-L428 HydrophobicContact CZ2-CB 4.29Å; W236-L428 HydrophobicContact CZ2-CD1 4.15Å; W236-Y433 HydrophobicContact CB-CD2 4.03Å; W236-Y433 HydrophobicContact CB-CE2 4.12Å; W236-Y433 HydrophobicContact CG-CD2 4.35Å
237Q96.5Very high96.5Very high92 Ų9228.1 Ų28.143%0.4315%0.147SC..SBendtrans-121.9-45.3-175.7-65.8-179.7-12.100111.8P239 F240 D279Q237-P239 CarbonylContact O-C 3.59Å; Q237-F240 CarbonylContact O-C 3.58Å; Q237-F240 WeakPolarHBondContact O-CA 3.39Å; Q237-F240 PolarHBondContact O-N 2.72Å; Q237-D279 PolarHBondContact N-OD2 3.43Å
238E95.8Very high96Very high45 Ų4532.8 Ų32.821%0.2117%0.172CC..SBendtrans-116146.5-163.7-68.8-164.5137.200114.7K29 R32 T235 D279K29-E238 IonicContact NZ-OE1 3.65Å; K29-E238 PolarHBondContact NZ-OE1 3.03Å; K29-E238 IonicContact NZ-OE2 3.39Å; K29-E238 PolarHBondContact NZ-OE2 2.68Å; R32-E238 IonicContact CZ-OE1 3.42Å; R32-E238 IonicContact CZ-OE2 2.85Å; R32-E238 VanDerWaalsContact NH1-CD 3.34Å; R32-E238 IonicContact NH1-OE1 2.65Å; R32-E238 PolarHBondContact NH1-OE1 3.32Å; R32-E238 IonicContact NH1-OE2 3.6Å; R32-E238 VanDerWaalsContact NH2-CD 3.31Å; R32-E238 IonicContact NH2-OE1 3.67Å; R32-E238 IonicContact NH2-OE2 3.62Å; R32-E238 PolarHBondContact NH2-OE2 3.27Å; T235-E238 WeakPolarHBondContact CB-O 3.48Å; T235-E238 WeakPolarHBondContact CG2-O 3.45Å; E238-D279 HydrophobicContact CB-CB 4.31Å; E238-D279 PolarHBondContact N-OD2 3.35Å
239P94Very high95.5Very high31 Ų3134.4 Ų34.420%0.20119%0.188CC..SBendcis-68.1-12.7-13.428.8-34.9000112.7E28 L64 Q237E28-P239 HydrophobicContact CG-CG 4.08Å; L64-P239 HydrophobicContact CD1-CG 3.64Å; Q237-P239 CarbonylContact O-C 3.59Å
240F95.3Very high95.2Very high42 Ų4235.1 Ų35.118%0.18419%0.193CC..SBendtrans-157.8158.2168.746.9-96.1000109.7K63 T235 Q237 W243 Y444K63-F240 HydrophobicContact CB-CZ 4.26Å; K63-F240 HydrophobicContact CD-CE1 4.45Å; K63-F240 HydrophobicContact CD-CE2 4.45Å; K63-F240 HydrophobicContact CD-CZ 3.98Å; K63-F240 HydrophobicContact CG-CE1 3.99Å; K63-F240 HydrophobicContact CG-CZ 3.68Å; T235-F240 PolarHBondContact OG1-O 3.01Å; Q237-F240 CarbonylContact O-C 3.58Å; Q237-F240 WeakPolarHBondContact O-CA 3.39Å; Q237-F240 PolarHBondContact O-N 2.72Å; F240-W243 HydrophobicContact CD2-CB 4.22Å; F240-W243 HydrophobicContact CE2-CB 3.66Å; F240-W243 AromaticContact CE2-CD1 3.59Å; F240-W243 AromaticContact CE2-CG 3.93Å; F240-W243 HydrophobicContact CE2-CG 3.93Å; F240-W243 HydrophobicContact CZ-CB 4.32Å; F240-W243 AromaticContact CZ-CD1 3.65Å; F240-W243 HydrophobicContact CZ-CG 4.18Å; F240-Y444 HydrophobicContact CD2-CE2 4.41Å; F240-Y444 HydrophobicContact CE2-CE1 4.23Å; F240-Y444 AromaticContact CE2-CE2 3.9Å; F240-Y444 HydrophobicContact CE2-CE2 3.9Å; F240-Y444 AromaticContact CE2-CZ 3.55Å; F240-Y444 VanDerWaalsContact CE2-OH 3.31Å; F240-Y444 WeakPolarHBondContact CE2-OH 3.32Å
241P97.2Very high95.1Very high59 Ų5935 Ų3538%0.38319%0.192SC..THydrogen-bonded Turntrans-65.6147.5-176.3-23.934.6000114.8W236 W243 N436W236-P241 WeakPolarHBondContact O-CB 3.45Å; W236-P241 WeakPolarHBondContact O-CG 3.12Å; P241-W243 PolarHBondContact O-N 2.79Å; P241-N436 HydrophobicContact CB-CB 4.05Å
242G96.8Very high95.1Very high0 Ų034.1 Ų34.10%019%0.192CC..THydrogen-bonded Turntrans79.78168.100000115.6T235 V244 N436 G440T235-G242 PolarHBondContact O-N 3.26Å; T235-G242 PolarHBondContact OG1-N 3.35Å; G242-V244 PolarHBondContact O-N 3.17Å; G242-N436 WeakPolarHBondContact CA-O 3.48Å; G242-G440 WeakPolarHBondContact O-CA 3.48Å
243W97.3Very high95Very high12 Ų1234 Ų345%0.04519%0.19CC..  trans-70.1130.8-178.9-171.884.4000112.2F21 K24 V25 L64 A234 T235 F240 P241 D245 Y444F21-W243 HydrophobicContact CD2-CE3 4.33Å; F21-W243 HydrophobicContact CD2-CH2 4.13Å; F21-W243 AromaticContact CD2-CZ3 3.52Å; F21-W243 HydrophobicContact CD2-CZ3 3.52Å; F21-W243 AromaticContact CE2-CE3 3.73Å; F21-W243 HydrophobicContact CE2-CE3 3.73Å; F21-W243 HydrophobicContact CE2-CH2 4.34Å; F21-W243 AromaticContact CE2-CZ3 3.38Å; F21-W243 HydrophobicContact CE2-CZ3 3.38Å; K24-W243 HydrophobicContact CB-CH2 4.42Å; K24-W243 HydrophobicContact CD-CH2 4.34Å; V25-W243 HydrophobicContact CG2-CE3 3.88Å; V25-W243 HydrophobicContact CG2-CH2 4.39Å; V25-W243 HydrophobicContact CG2-CZ3 3.41Å; V25-W243 VanDerWaalsContact CG2-CZ3 3.41Å; L64-W243 HydrophobicContact CB-CD2 4.44Å; L64-W243 HydrophobicContact CB-CZ2 3.86Å; L64-W243 HydrophobicContact CD1-CD2 3.82Å; L64-W243 HydrophobicContact CD1-CE3 3.93Å; L64-W243 HydrophobicContact CD1-CG 4.27Å; L64-W243 HydrophobicContact CD1-CZ2 4.39Å; L64-W243 HydrophobicContact CD1-CZ3 4.27Å; L64-W243 HydrophobicContact CD2-CE3 4.42Å; L64-W243 HydrophobicContact CD2-CH2 3.62Å; L64-W243 HydrophobicContact CD2-CZ2 3.78Å; L64-W243 HydrophobicContact CD2-CZ3 3.95Å; L64-W243 HydrophobicContact CG-CH2 4.44Å; L64-W243 HydrophobicContact CG-CZ2 4.22Å; A234-W243 WeakPolarHBondContact CA-O 3.36Å; T235-W243 HydrophobicContact CG2-CB 3.98Å; T235-W243 HydrophobicContact CG2-CE3 4.35Å; T235-W243 PolarHBondContact N-O 3.23Å; T235-W243 VanDerWaalsContact N-O 3.17Å; T235-W243 WeakPolarHBondContact OG1-CB 3.47Å; T235-W243 PolarHBondContact OG1-N 3.18Å; F240-W243 HydrophobicContact CD2-CB 4.22Å; F240-W243 HydrophobicContact CE2-CB 3.66Å; F240-W243 AromaticContact CE2-CD1 3.59Å; F240-W243 AromaticContact CE2-CG 3.93Å; F240-W243 HydrophobicContact CE2-CG 3.93Å; F240-W243 HydrophobicContact CZ-CB 4.32Å; F240-W243 AromaticContact CZ-CD1 3.65Å; F240-W243 HydrophobicContact CZ-CG 4.18Å; P241-W243 PolarHBondContact O-N 2.79Å; W243-D245 HydrophobicContact CH2-CB 3.75Å; W243-D245 HydrophobicContact CZ2-CB 3.76Å; W243-Y444 HydrophobicContact CB-CE2 4.48Å
244V96.2Very high94.9Very high1 Ų134.7 Ų34.71%0.00619%0.193CC..  trans-151.7148.7177.2-79.70000109.8F21 A234 G242 Y437 V441 Y444 L445F21-V244 HydrophobicContact CE2-CG1 4.43Å; F21-V244 HydrophobicContact CZ-CG1 4.1Å; A234-V244 HydrophobicContact CB-CG1 3.57Å; G242-V244 PolarHBondContact O-N 3.17Å; V244-Y437 HydrophobicContact CG1-CE2 4.15Å; V244-V441 HydrophobicContact CG2-CG2 4.08Å; V244-Y444 WeakPolarHBondContact O-CB 3.31Å; V244-L445 HydrophobicContact CB-CD1 4.27Å; V244-L445 HydrophobicContact CB-CD2 4.47Å; V244-L445 HydrophobicContact CB-CG 4.36Å; V244-L445 HydrophobicContact CG2-CD1 3.77Å; V244-L445 HydrophobicContact CG2-CD2 4.34Å; V244-L445 HydrophobicContact CG2-CG 3.75Å; V244-L445 WeakPolarHBondContact O-CD2 3.45Å
245D93.7Very high94.9Very high51 Ų5135.9 Ų35.927%0.27320%0.199SC..  trans-131.92.2-175.980.9-21.4000116.1F21 K24 W243 L445F21-D245 WeakPolarHBondContact CB-OD1 3.46Å; F21-D245 WeakPolarHBondContact CD2-OD1 3.45Å; K24-D245 IonicContact NZ-OD2 2.85Å; K24-D245 PolarHBondContact NZ-OD2 2.89Å; W243-D245 HydrophobicContact CH2-CB 3.75Å; W243-D245 HydrophobicContact CZ2-CB 3.76Å; D245-L445 VanDerWaalsContact CA-CD2 3.47Å
246N92.7Very high94.8Very high33 Ų3336.2 Ų36.218%0.17620%0.202CC..  trans-135.8166-178.768.179000112.5F21 N248 N251 L445F21-N246 VanDerWaalsContact CB-ND2 3.27Å; F21-N246 WeakPolarHBondContact CB-ND2 3.43Å; F21-N246 WeakPolarHBondContact CG-ND2 3.44Å; N246-N248 WeakPolarHBondContact OD1-CB 3.24Å; N246-N248 PolarHBondContact OD1-N 3.23Å; N246-N251 VanDerWaalsContact O-CB 3.27Å; N246-N251 WeakPolarHBondContact O-CB 3.21Å; N246-N251 PolarHBondContact O-ND2 3.42Å; N246-L445 VanDerWaalsContact N-CD2 3.27Å; N246-L445 WeakPolarHBondContact O-CD1 3.39Å
247I92.2Very high94.7Very high111 Ų11135.3 Ų35.357%0.56920%0.2SC*.  trans-101.511.6-175.7-55.3171.1000111.4G252 I255I247-G252 WeakPolarHBondContact O-CA 3.36Å; I247-G252 PolarHBondContact O-N 3.29Å; I247-G252 VanDerWaalsContact O-N 3.16Å; I247-I255 HydrophobicContact CG1-CD1 4.34Å; I247-I255 HydrophobicContact CG2-CD1 4.24Å
248N88.7Confident94.7Very high97 Ų9731 Ų3152%0.51918%0.18SC..THydrogen-bonded Turntrans-75.2150.4-174.2-61.9-19.7000111.6N246 N251N246-N248 WeakPolarHBondContact OD1-CB 3.24Å; N246-N248 PolarHBondContact OD1-N 3.23Å; N248-N251 WeakPolarHBondContact O-CB 3.36Å; N248-N251 PolarHBondContact O-N 3.2Å
249G88.2Confident94.8Very high34 Ų3430.3 Ų30.335%0.35118%0.176SC..THydrogen-bonded Turntrans53.5-123.6171.700000113.9N251 G252 I253G249-N251 VanDerWaalsContact C-N 3.27Å; G249-N251 PolarHBondContact O-N 3.04Å; G249-G252 PolarHBondContact O-N 2.81Å; G249-I253 PolarHBondContact O-N 3.36Å
250P92.7Very high94.8Very high22 Ų2228.9 Ų28.914%0.14317%0.166CC..Hα-helixtrans-56.3-36.3-177.6-25.433.8000114.2I231 G252 I253 I254I231-P250 HydrophobicContact CG2-CG 3.4Å; I231-P250 VanDerWaalsContact CG2-CG 3.4Å; P250-G252 VanDerWaalsContact C-N 3.32Å; P250-G252 PolarHBondContact O-N 3.24Å; P250-I253 PolarHBondContact O-N 2.75Å; P250-I253 VanDerWaalsContact O-N 3.15Å; P250-I254 WeakPolarHBondContact O-CG1 3.24Å; P250-I254 PolarHBondContact O-N 3.31Å
251N95.6Very high94.9Very high3 Ų329.1 Ų29.12%0.01617%0.168CC..Hα-helixtrans-59-45.7-179.2-62.6-16.4000110.9N246 N248 G249 I254 I255 Y437 L445N246-N251 VanDerWaalsContact O-CB 3.27Å; N246-N251 WeakPolarHBondContact O-CB 3.21Å; N246-N251 PolarHBondContact O-ND2 3.42Å; N248-N251 WeakPolarHBondContact O-CB 3.36Å; N248-N251 PolarHBondContact O-N 3.2Å; G249-N251 VanDerWaalsContact C-N 3.27Å; G249-N251 PolarHBondContact O-N 3.04Å; N251-I254 PolarHBondContact O-N 2.87Å; N251-I255 VanDerWaalsContact O-CG1 3.29Å; N251-I255 WeakPolarHBondContact O-CG1 3.34Å; N251-I255 PolarHBondContact O-N 3.2Å; N251-Y437 WeakPolarHBondContact OD1-CE2 3.41Å; N251-Y437 VanDerWaalsContact OD1-CZ 3.26Å; N251-Y437 PolarHBondContact OD1-OH 2.8Å; N251-L445 HydrophobicContact CB-CD1 3.8Å
252G94.9Very high94.8Very high19 Ų1926.3 Ų26.320%0.19615%0.15CC..Hα-helixtrans-64.7-39.6176.900000113I247 G249 P250 I255 A256I247-G252 WeakPolarHBondContact O-CA 3.36Å; I247-G252 PolarHBondContact O-N 3.29Å; I247-G252 VanDerWaalsContact O-N 3.16Å; G249-G252 PolarHBondContact O-N 2.81Å; P250-G252 VanDerWaalsContact C-N 3.32Å; P250-G252 PolarHBondContact O-N 3.24Å; G252-I255 PolarHBondContact O-N 3.17Å; G252-A256 VanDerWaalsContact O-CB 3.26Å; G252-A256 WeakPolarHBondContact O-CB 3.45Å; G252-A256 PolarHBondContact O-N 2.81Å
253I95Very high94.7Very high38 Ų3828.4 Ų28.420%0.19516%0.157CC..Hα-helixtrans-65.2-44.8176.7-68.3170000111G249 P250 A256 T257 L262 I265 L391G249-I253 PolarHBondContact O-N 3.36Å; P250-I253 PolarHBondContact O-N 2.75Å; P250-I253 VanDerWaalsContact O-N 3.15Å; I253-A256 PolarHBondContact O-N 3.17Å; I253-T257 VanDerWaalsContact O-CB 3.24Å; I253-T257 WeakPolarHBondContact O-CB 3.29Å; I253-T257 PolarHBondContact O-N 2.95Å; I253-T257 PolarHBondContact O-OG1 3.44Å; I253-L262 HydrophobicContact CG2-CD2 4.17Å; I253-I265 HydrophobicContact CG2-CD1 4.15Å; I253-L391 HydrophobicContact CD1-CD1 3.69Å; I253-L391 HydrophobicContact CG1-CD1 4.29Å
254I96.6Very high94.5Very high14 Ų1428 Ų287%0.07216%0.156CC..Hα-helixtrans-60.4-47.9177-68.7168.1000109.7P250 N251 T257 G258 F326 F331 Y437 V438 V441P250-I254 WeakPolarHBondContact O-CG1 3.24Å; P250-I254 PolarHBondContact O-N 3.31Å; N251-I254 PolarHBondContact O-N 2.87Å; I254-T257 PolarHBondContact O-N 2.97Å; I254-G258 PolarHBondContact O-N 3.45Å; I254-F326 HydrophobicContact CG2-CE1 4.33Å; I254-F326 HydrophobicContact CG2-CZ 3.92Å; I254-F326 WeakPolarHBondContact O-CZ 3.39Å; I254-F331 HydrophobicContact CG2-CE2 4.28Å; I254-F331 HydrophobicContact CG2-CZ 3.97Å; I254-Y437 HydrophobicContact CD1-CD2 3.65Å; I254-Y437 HydrophobicContact CD1-CE2 3.69Å; I254-Y437 HydrophobicContact CD1-CG 4.31Å; I254-V438 HydrophobicContact CG2-CG2 4.15Å; I254-V441 HydrophobicContact CD1-CG2 4.39Å; I254-V441 HydrophobicContact CG2-CB 4.27Å; I254-V441 HydrophobicContact CG2-CG1 4.03Å; I254-V441 HydrophobicContact CG2-CG2 4.21Å
255I96.9Very high94.3Very high25 Ų2528.7 Ų28.713%0.12816%0.16CC..Hα-helixtrans-60.2-50177.3-68.1168.4000111.2I247 N251 G252 T257 G258 K259 V441 L445 L446I247-I255 HydrophobicContact CG1-CD1 4.34Å; I247-I255 HydrophobicContact CG2-CD1 4.24Å; N251-I255 VanDerWaalsContact O-CG1 3.29Å; N251-I255 WeakPolarHBondContact O-CG1 3.34Å; N251-I255 PolarHBondContact O-N 3.2Å; G252-I255 PolarHBondContact O-N 3.17Å; I255-T257 VanDerWaalsContact C-N 3.32Å; I255-T257 PolarHBondContact O-N 3.31Å; I255-G258 PolarHBondContact O-N 2.68Å; I255-K259 HydrophobicContact CG2-CG 4.3Å; I255-K259 WeakPolarHBondContact O-CB 3.45Å; I255-K259 VanDerWaalsContact O-CG 3.3Å; I255-K259 WeakPolarHBondContact O-CG 3.44Å; I255-K259 PolarHBondContact O-N 3.01Å; I255-V441 HydrophobicContact CD1-CG1 4.07Å; I255-V441 HydrophobicContact CG1-CG1 3.5Å; I255-V441 VanDerWaalsContact CG1-CG1 3.5Å; I255-L445 HydrophobicContact CD1-CB 4.35Å; I255-L445 HydrophobicContact CD1-CD1 4.15Å; I255-L446 HydrophobicContact CD1-CD2 4.04Å; I255-L446 HydrophobicContact CD1-CG 4.49Å; I255-L446 HydrophobicContact CG1-CD1 4.47Å; I255-L446 HydrophobicContact CG1-CD2 4.09Å; I255-L446 HydrophobicContact CG1-CG 4.32Å; I255-L446 HydrophobicContact CG2-CD2 4.05Å
256A96.6Very high94.2Very high7 Ų729 Ų296%0.05816%0.159CC..Hα-helixtrans-63.3-39.2-177.400000112G252 I253 G260 F261 L262 L384G252-A256 VanDerWaalsContact O-CB 3.26Å; G252-A256 WeakPolarHBondContact O-CB 3.45Å; G252-A256 PolarHBondContact O-N 2.81Å; I253-A256 PolarHBondContact O-N 3.17Å; A256-G260 PolarHBondContact O-N 2.64Å; A256-F261 PolarHBondContact O-N 3.13Å; A256-L262 HydrophobicContact CB-CB 3.75Å; A256-L262 HydrophobicContact CB-CD2 4.41Å; A256-L262 PolarHBondContact O-N 3.06Å; A256-L384 HydrophobicContact CB-CD1 3.67Å; A256-L384 HydrophobicContact CB-CD2 4.13Å
257T96.6Very high94.2Very high6 Ų627.4 Ų27.44%0.03715%0.15CC..Hα-helixtrans-67.9-50.3175.5-57.20000111.2I253 I254 I255 K259 G260 L323 F326 P338 A340I253-T257 VanDerWaalsContact O-CB 3.24Å; I253-T257 WeakPolarHBondContact O-CB 3.29Å; I253-T257 PolarHBondContact O-N 2.95Å; I253-T257 PolarHBondContact O-OG1 3.44Å; I254-T257 PolarHBondContact O-N 2.97Å; I255-T257 VanDerWaalsContact C-N 3.32Å; I255-T257 PolarHBondContact O-N 3.31Å; T257-K259 VanDerWaalsContact C-N 3.31Å; T257-K259 PolarHBondContact O-N 3.09Å; T257-G260 WeakPolarHBondContact O-CA 3.44Å; T257-G260 PolarHBondContact O-N 3.32Å; T257-L323 HydrophobicContact CG2-CD2 4.17Å; T257-F326 HydrophobicContact CG2-CE2 3.89Å; T257-P338 WeakPolarHBondContact O-CA 3.47Å; T257-A340 HydrophobicContact CG2-CB 4.09Å
258G96.7Very high94.3Very high1 Ų124.9 Ų24.91%0.0114%0.14CC..Hα-helixtrans-65.6-29.1-178.500000114I254 I255 G260I254-G258 PolarHBondContact O-N 3.45Å; I255-G258 PolarHBondContact O-N 2.68Å; G258-G260 VanDerWaalsContact C-N 3.33Å
259K96Very high94.5Very high31 Ų3122.1 Ų22.114%0.13513%0.128CC..THydrogen-bonded Turntrans-83.9-6.3171-62.7-65-169.2-177.70113.2I255 T257 F261 F331 E332 F335 R336 E448I255-K259 HydrophobicContact CG2-CG 4.3Å; I255-K259 WeakPolarHBondContact O-CB 3.45Å; I255-K259 VanDerWaalsContact O-CG 3.3Å; I255-K259 WeakPolarHBondContact O-CG 3.44Å; I255-K259 PolarHBondContact O-N 3.01Å; T257-K259 VanDerWaalsContact C-N 3.31Å; T257-K259 PolarHBondContact O-N 3.09Å; K259-F261 HydrophobicContact CB-CD2 3.61Å; K259-F261 HydrophobicContact CB-CE2 3.53Å; K259-F261 HydrophobicContact CB-CG 4.4Å; K259-F261 HydrophobicContact CB-CZ 4.26Å; K259-F261 HydrophobicContact CG-CD2 4.49Å; K259-F261 HydrophobicContact CG-CE2 4.15Å; K259-F331 HydrophobicContact CD-CB 4.2Å; K259-E332 PolarHBondContact NZ-O 3.39Å; K259-F335 WeakPolarHBondContact O-CB 3.46Å; K259-F335 PolarHBondContact O-N 3.17Å; K259-R336 PolarHBondContact O-N 3.31Å; K259-E448 IonicContact NZ-OE1 2.98Å; K259-E448 PolarHBondContact NZ-OE1 3.18Å
260G95.9Very high94.8Very high0 Ų026.7 Ų26.70%014%0.141CC..THydrogen-bonded Turntrans74.121.9179.800000114.8A256 T257 G258 R336A256-G260 PolarHBondContact O-N 2.64Å; T257-G260 WeakPolarHBondContact O-CA 3.44Å; T257-G260 PolarHBondContact O-N 3.32Å; G258-G260 VanDerWaalsContact C-N 3.33Å; G260-R336 PolarHBondContact O-NE 2.9Å; G260-R336 PolarHBondContact O-NH2 3.46Å
261F95.9Very high94.9Very high47 Ų4725.9 Ų25.921%0.20614%0.136CC..SBendtrans-80.7-49172.4-61-49.6000111A256 K259 F335 H357 M377 L380 M381 L384A256-F261 PolarHBondContact O-N 3.13Å; K259-F261 HydrophobicContact CB-CD2 3.61Å; K259-F261 HydrophobicContact CB-CE2 3.53Å; K259-F261 HydrophobicContact CB-CG 4.4Å; K259-F261 HydrophobicContact CB-CZ 4.26Å; K259-F261 HydrophobicContact CG-CD2 4.49Å; K259-F261 HydrophobicContact CG-CE2 4.15Å; F261-F335 HydrophobicContact CD1-CB 3.95Å; F261-F335 AromaticContact CD1-CD1 3.92Å; F261-F335 HydrophobicContact CD1-CD1 3.92Å; F261-F335 HydrophobicContact CD1-CG 4.17Å; F261-F335 HydrophobicContact CE1-CB 3.41Å; F261-F335 VanDerWaalsContact CE1-CB 3.41Å; F261-F335 AromaticContact CE1-CD1 4Å; F261-F335 HydrophobicContact CE1-CD1 4Å; F261-F335 AromaticContact CE1-CG 3.78Å; F261-F335 HydrophobicContact CE1-CG 3.78Å; F261-F335 HydrophobicContact CZ-CB 4.08Å; F261-H357 PolarHBondContact O-CD2 3.09Å; F261-H357 VanDerWaalsContact O-CD2 3.3Å; F261-M377 HydrophobicContact CD1-SD 4.16Å; F261-M377 HydrophobicContact CE1-CE 3.9Å; F261-M377 HydrophobicContact CE1-SD 3.92Å; F261-L380 HydrophobicContact CD1-CD2 4.35Å; F261-L380 HydrophobicContact CD2-CD2 4.49Å; F261-L380 HydrophobicContact CE1-CD2 4.12Å; F261-L380 HydrophobicContact CE2-CD2 4.25Å; F261-L380 HydrophobicContact CZ-CD2 4.07Å; F261-M381 HydrophobicContact CB-CE 4.47Å; F261-L384 HydrophobicContact CB-CD2 3.79Å
262L95.6Very high95Very high1 Ų127.2 Ų27.21%0.00515%0.145CC..  trans-90123.2172.6-16757000108.5I253 A256 A264 I265 L384 V388I253-L262 HydrophobicContact CG2-CD2 4.17Å; A256-L262 HydrophobicContact CB-CB 3.75Å; A256-L262 HydrophobicContact CB-CD2 4.41Å; A256-L262 PolarHBondContact O-N 3.06Å; L262-A264 WeakPolarHBondContact CD1-O 3.47Å; L262-I265 HydrophobicContact CD1-CG1 3.98Å; L262-I265 HydrophobicContact CD2-CD1 3.52Å; L262-I265 HydrophobicContact CD2-CG1 3.76Å; L262-I265 HydrophobicContact CG-CD1 4.05Å; L262-I265 HydrophobicContact CG-CG1 3.81Å; L262-L384 HydrophobicContact CB-CD2 4.11Å; L262-L384 HydrophobicContact CD1-CD2 4.45Å; L262-V388 HydrophobicContact CD1-CG2 3.94Å; L262-V388 HydrophobicContact CD2-CG2 3.93Å
263R93.9Very high95Very high44 Ų4426.3 Ų26.317%0.16614%0.135CC..  trans-126.2-20.2-178.2-65.1-176.167.682.95.9114.5R336 R337 N339 N341 H357R263-R336 VanDerWaalsContact CD-NH1 3.34Å; R263-R337 PolarHBondContact NH1-O 3.43Å; R263-N339 WeakPolarHBondContact CA-O 3.44Å; R263-N339 HydrophobicContact CB-CB 4.49Å; R263-N341 PolarHBondContact O-N 2.99Å; R263-H357 PolarHBondContact N-NE2 2.88Å
264A93.1Very high95.1Very high3 Ų324.5 Ų24.53%0.02513%0.126CC..EExtended strand (participates in β ladder)trans-144146.3174.300000109L262 N341 T343 W352 H357L262-A264 WeakPolarHBondContact CD1-O 3.47Å; A264-N341 CarbonylContact C-O 3.36Å; A264-N341 WeakPolarHBondContact CA-O 3.46Å; A264-N341 HydrophobicContact CB-CB 4.12Å; A264-T343 HydrophobicContact CB-CG2 4.35Å; A264-W352 HydrophobicContact CB-CB 3.78Å; A264-W352 HydrophobicContact CB-CG 4.12Å; A264-H357 PolarHBondContact O-CE1 2.79Å
265I92.2Very high95.1Very high16 Ų1624.1 Ų24.18%0.08212%0.124CC..EExtended strand (participates in β ladder)trans-136.3135-179.8-56.9175.5000107.8I253 L262 A267 N341 T343 V388 I395I253-I265 HydrophobicContact CG2-CD1 4.15Å; L262-I265 HydrophobicContact CD1-CG1 3.98Å; L262-I265 HydrophobicContact CD2-CD1 3.52Å; L262-I265 HydrophobicContact CD2-CG1 3.76Å; L262-I265 HydrophobicContact CG-CD1 4.05Å; L262-I265 HydrophobicContact CG-CG1 3.81Å; I265-A267 HydrophobicContact CG2-CB 4.06Å; I265-A267 PolarHBondContact O-N 3.33Å; I265-N341 PolarHBondContact N-O 3.03Å; I265-T343 PolarHBondContact O-N 3.3Å; I265-T343 PolarHBondContact O-OG1 2.76Å; I265-V388 HydrophobicContact CG2-CG1 3.95Å; I265-I395 HydrophobicContact CG2-CD1 4.31Å
266K92.4Very high95.1Very high57 Ų5722.9 Ų22.925%0.24812%0.118CC..EExtended strand (participates in β ladder)trans-80.1112.9172.4-177178.7157.1-135.90110T343 E392 N396K266-T343 CarbonylContact C-O 3.59Å; K266-T343 VanDerWaalsContact CA-O 3.3Å; K266-T343 WeakPolarHBondContact CA-O 3.31Å; K266-T343 WeakPolarHBondContact CA-OG1 3.42Å; K266-E392 IonicContact NZ-OE2 3.71Å; K266-E392 PolarHBondContact NZ-OE2 2.79Å; K266-N396 PolarHBondContact O-ND2 3.32Å
267A92Very high95.2Very high0 Ų022.6 Ų22.60%012%0.115CC..  trans-165.6148.5-16100000110.8I265 P269 F342 T343 I395 N396I265-A267 HydrophobicContact CG2-CB 4.06Å; I265-A267 PolarHBondContact O-N 3.33Å; A267-P269 WeakPolarHBondContact O-CD 3.27Å; A267-F342 HydrophobicContact CB-CD1 3.63Å; A267-F342 HydrophobicContact CB-CE1 4.18Å; A267-T343 PolarHBondContact N-O 3.02Å; A267-I395 HydrophobicContact CB-CB 4.41Å; A267-I395 HydrophobicContact CB-CG2 3.32Å; A267-N396 WeakPolarHBondContact CA-OD1 3.45Å; A267-N396 PolarHBondContact N-OD1 3.21Å
268T94.2Very high95.3Very high57 Ų5722.3 Ų22.335%0.3511%0.114SC..  trans-85.5103.6169.5-58.70000107.4M270 A271 N396T268-M270 PolarHBondContact O-N 2.81Å; T268-M270 VanDerWaalsContact O-N 3.1Å; T268-A271 HydrophobicContact CG2-CB 3.98Å; T268-A271 WeakPolarHBondContact O-CB 3.16Å; T268-A271 PolarHBondContact O-N 3.11Å; T268-N396 PolarHBondContact N-OD1 3.35Å; T268-N396 PolarHBondContact OG1-O 2.91Å; T268-N396 PolarHBondContact OG1-OD1 2.85Å
269P92.6Very high95.3Very high40 Ų4022.5 Ų22.526%0.2611%0.114SC..THydrogen-bonded Turntrans-59.7-28.2-173.821.9-33000113.4A267 W315 H316 F342A267-P269 WeakPolarHBondContact O-CD 3.27Å; P269-W315 PolarHBondContact O-N 3Å; P269-H316 HydrophobicContact CB-CB 3.95Å; P269-H316 WeakPolarHBondContact O-CB 3.27Å; P269-H316 PolarHBondContact O-N 3.27Å; P269-F342 HydrophobicContact CB-CB 4.1Å; P269-F342 HydrophobicContact CB-CD2 4.27Å; P269-F342 HydrophobicContact CB-CG 4.08Å; P269-F342 HydrophobicContact CG-CB 4.46Å
270M95.3Very high95.4Very high129 Ų12921.1 Ų21.164%0.63511%0.109SC*.THydrogen-bonded Turntrans-90.2-5.1179.8-61.2-53.8-65.200113.8T268T268-M270 PolarHBondContact O-N 2.81Å; T268-M270 VanDerWaalsContact O-N 3.1Å
271A95.4Very high95.6Very high5 Ų521.1 Ų21.14%0.04111%0.109CC..SBendtrans-65.4141173.300000109.9T268 A273 N314 W315 S398T268-A271 HydrophobicContact CG2-CB 3.98Å; T268-A271 WeakPolarHBondContact O-CB 3.16Å; T268-A271 PolarHBondContact O-N 3.11Å; A271-A273 PolarHBondContact O-N 2.93Å; A271-N314 VanDerWaalsContact O-CA 3.28Å; A271-N314 WeakPolarHBondContact O-CA 3.13Å; A271-N314 WeakPolarHBondContact O-CB 3.31Å; A271-W315 VanDerWaalsContact O-CD1 3.25Å; A271-W315 PolarHBondContact O-N 2.87Å; A271-W315 VanDerWaalsContact O-N 3.14Å; A271-S398 WeakPolarHBondContact CA-OG 3.5Å; A271-S398 WeakPolarHBondContact CB-OG 3.4Å
272V96.6Very high95.7Very high31 Ų3118.9 Ų18.919%0.18810%0.099CC..BIsolated β-bridgetrans-59.8130.9174.8-178.60000109.5P312 S398V272-P312 HydrophobicContact CG1-CB 4.36Å; V272-P312 HydrophobicContact CG2-CB 4.46Å; V272-S398 PolarHBondContact N-OG 2.9Å
273A95.5Very high95.8Very high0 Ų019.2 Ų19.20%010%0.101CC..  trans-98.786.7174.100000108.4A271 V275 C313 W315 M318A271-A273 PolarHBondContact O-N 2.93Å; A273-V275 PolarHBondContact O-N 2.78Å; A273-C313 WeakPolarHBondContact CB-O 3.43Å; A273-C313 PolarHBondContact N-O 3.25Å; A273-W315 HydrophobicContact CB-CD2 3.44Å; A273-W315 VanDerWaalsContact CB-CD2 3.44Å; A273-W315 HydrophobicContact CB-CE3 3.5Å; A273-W315 VanDerWaalsContact CB-CE3 3.5Å; A273-W315 HydrophobicContact CB-CG 4.05Å; A273-W315 HydrophobicContact CB-CH2 3.77Å; A273-W315 HydrophobicContact CB-CZ2 3.72Å; A273-W315 HydrophobicContact CB-CZ3 3.66Å; A273-M318 HydrophobicContact CB-CE 3.58Å; A273-M318 HydrophobicContact CB-CG 4.39Å; A273-M318 HydrophobicContact CB-SD 3.46Å; A273-M318 WeakPolarHBondContact CB-SD 3.4Å; A273-M318 VanDerWaalsContact O-CE 3.31Å; A273-M318 WeakPolarHBondContact O-CE 3.36Å
274D96.2Very high96.1Very high1 Ų117.1 Ų17.11%0.0059%0.093CC..  trans-70.266.6-178.5-80.8-74.9000112.7Y155 S230 I231 G308 W401Y155-D274 VanDerWaalsContact OH-CB 3.28Å; Y155-D274 WeakPolarHBondContact OH-CB 3.41Å; S230-D274 WeakPolarHBondContact CB-O 3.33Å; S230-D274 PolarHBondContact OG-O 3.03Å; I231-D274 WeakPolarHBondContact CB-O 3.23Å; I231-D274 PolarHBondContact N-O 3.09Å; D274-G308 WeakPolarHBondContact OD1-CA 2.86Å; D274-G308 PolarHBondContact OD1-N 3.36Å; D274-W401 PolarHBondContact OD1-NE1 2.72Å; D274-W401 VanDerWaalsContact OD1-NE1 3.15Å
275V96.7Very high96.3Very high5 Ų517 Ų173%0.039%0.092CC..EExtended strand (participates in β ladder)trans-91.9136.4174.4-179.80000109.4I231 A273 S307 M318 W430 Y433I231-V275 HydrophobicContact CB-CG2 4.44Å; I231-V275 CarbonylContact O-C 3.52Å; I231-V275 VanDerWaalsContact O-CA 3.29Å; I231-V275 WeakPolarHBondContact O-CA 3.43Å; A273-V275 PolarHBondContact O-N 2.78Å; V275-S307 PolarHBondContact N-OG 3.34Å; V275-S307 WeakPolarHBondContact O-CB 3.35Å; V275-S307 PolarHBondContact O-OG 3.15Å; V275-M318 HydrophobicContact CB-CE 4.3Å; V275-M318 HydrophobicContact CG2-CE 4.2Å; V275-M318 HydrophobicContact CG2-SD 4.25Å; V275-W430 HydrophobicContact CB-CH2 4.38Å; V275-W430 HydrophobicContact CB-CZ3 4.37Å; V275-W430 WeakPolarHBondContact O-CH2 3.4Å; V275-Y433 HydrophobicContact CG1-CE1 4.22Å
276I97.7Very high96.7Very high0 Ų016.2 Ų16.20%09%0.088CC..EExtended strand (participates in β ladder)trans-125.5129.5178.4-169.775.9000110.5P229 I231 V232 G233 T280 V281 I305 V425P229-I276 HydrophobicContact CB-CG2 4.26Å; I231-I276 PolarHBondContact O-N 2.73Å; V232-I276 CarbonylContact C-O 3.6Å; V232-I276 WeakPolarHBondContact CA-O 3.47Å; V232-I276 HydrophobicContact CG2-CG2 4.18Å; G233-I276 PolarHBondContact N-O 2.94Å; I276-T280 WeakPolarHBondContact CG1-OG1 3.43Å; I276-V281 HydrophobicContact CB-CG2 4.4Å; I276-V281 HydrophobicContact CG1-CG2 3.83Å; I276-V281 HydrophobicContact CG2-CG2 3.68Å; I276-I305 HydrophobicContact CD1-CD1 4.18Å; I276-I305 HydrophobicContact CD1-CG1 3.76Å; I276-I305 HydrophobicContact CG1-CG1 3.81Å; I276-V425 HydrophobicContact CD1-CG1 3.49Å; I276-V425 VanDerWaalsContact CD1-CG1 3.49Å
277P98.2Very high97Very high0 Ų013.5 Ų13.50%08%0.076CC..EExtended strand (participates in β ladder)trans-62.9136176.3-22.633.5000112.8A234 W236 D279 T280 V281 L428 Y433A234-P277 VanDerWaalsContact O-CA 3.28Å; A234-P277 WeakPolarHBondContact O-CA 3.15Å; A234-P277 WeakPolarHBondContact O-CB 3.44Å; W236-P277 HydrophobicContact CB-CB 3.57Å; W236-P277 HydrophobicContact CB-CG 3.72Å; W236-P277 HydrophobicContact CG-CG 4.48Å; P277-D279 VanDerWaalsContact C-N 3.26Å; P277-D279 WeakPolarHBondContact CB-OD1 3.4Å; P277-D279 PolarHBondContact O-N 3.31Å; P277-T280 HydrophobicContact CB-CG2 4.14Å; P277-T280 HydrophobicContact CG-CG2 4.33Å; P277-T280 PolarHBondContact O-N 2.74Å; P277-T280 VanDerWaalsContact O-N 3.12Å; P277-T280 PolarHBondContact O-OG1 3.17Å; P277-V281 PolarHBondContact O-N 3.4Å; P277-L428 HydrophobicContact CG-CD1 4.34Å; P277-L428 HydrophobicContact CG-CD2 4.2Å; P277-Y433 HydrophobicContact CB-CE2 4.12Å; P277-Y433 HydrophobicContact CG-CD2 4.48Å; P277-Y433 HydrophobicContact CG-CE2 3.88Å
278V98.3Very high97.3Very high0 Ų013.5 Ų13.50%08%0.076CC..Hα-helixtrans-61.8-32.2-175.265.60000113.4F21 L22 V25 V232 A234 T235 V281 V282F21-V278 HydrophobicContact CD1-CG2 4.42Å; F21-V278 HydrophobicContact CE1-CB 3.97Å; F21-V278 HydrophobicContact CE1-CG1 4.37Å; F21-V278 HydrophobicContact CE1-CG2 4.01Å; F21-V278 HydrophobicContact CE2-CG1 4.2Å; F21-V278 HydrophobicContact CZ-CB 3.82Å; F21-V278 HydrophobicContact CZ-CG1 3.7Å; F21-V278 HydrophobicContact CZ-CG2 4.06Å; L22-V278 HydrophobicContact CD1-CG2 3.73Å; V25-V278 HydrophobicContact CB-CG2 4.13Å; V25-V278 HydrophobicContact CG1-CG1 4.31Å; V25-V278 HydrophobicContact CG1-CG2 4.39Å; V25-V278 HydrophobicContact CG2-CG1 3.97Å; V25-V278 HydrophobicContact CG2-CG2 3.91Å; V232-V278 HydrophobicContact CG1-CB 3.59Å; V232-V278 HydrophobicContact CG1-CG2 3.75Å; A234-V278 PolarHBondContact O-N 3.06Å; T235-V278 HydrophobicContact CG2-CG1 3.44Å; T235-V278 VanDerWaalsContact CG2-CG1 3.44Å; V278-V281 WeakPolarHBondContact O-CB 3.25Å; V278-V281 PolarHBondContact O-N 2.84Å; V278-V282 WeakPolarHBondContact O-CG2 3.45Å; V278-V282 PolarHBondContact O-N 2.99Å
279D98.3Very high97.5Very high5 Ų510.8 Ų10.83%0.0276%0.059CC..Hα-helixtrans-67.8-37.6176.453.2-30.2000112.2T235 W236 Q237 E238 P277 V281 V282 N283T235-D279 WeakPolarHBondContact CA-OD1 3.2Å; T235-D279 HydrophobicContact CG2-CB 4.44Å; W236-D279 VanDerWaalsContact N-CG 3.32Å; W236-D279 PolarHBondContact N-OD1 3.01Å; W236-D279 PolarHBondContact N-OD2 3.37Å; W236-D279 VanDerWaalsContact N-OD2 3.17Å; Q237-D279 PolarHBondContact N-OD2 3.43Å; E238-D279 HydrophobicContact CB-CB 4.31Å; E238-D279 PolarHBondContact N-OD2 3.35Å; P277-D279 VanDerWaalsContact C-N 3.26Å; P277-D279 WeakPolarHBondContact CB-OD1 3.4Å; P277-D279 PolarHBondContact O-N 3.31Å; D279-V281 VanDerWaalsContact C-N 3.34Å; D279-V281 PolarHBondContact O-N 2.78Å; D279-V282 PolarHBondContact O-N 2.86Å; D279-N283 WeakPolarHBondContact O-CB 3.31Å; D279-N283 VanDerWaalsContact O-CG 3.25Å; D279-N283 PolarHBondContact O-N 2.92Å
280T98.2Very high97.8Very high2 Ų210 Ų101%0.0125%0.051CC..Hα-helixtrans-66.5-37173.663.50000112.1W236 I276 P277 N283 L284 F423 V425W236-T280 HydrophobicContact CE3-CG2 3.93Å; W236-T280 HydrophobicContact CZ3-CG2 4.43Å; I276-T280 WeakPolarHBondContact CG1-OG1 3.43Å; P277-T280 HydrophobicContact CB-CG2 4.14Å; P277-T280 HydrophobicContact CG-CG2 4.33Å; P277-T280 PolarHBondContact O-N 2.74Å; P277-T280 VanDerWaalsContact O-N 3.12Å; P277-T280 PolarHBondContact O-OG1 3.17Å; T280-N283 PolarHBondContact O-N 2.65Å; T280-L284 PolarHBondContact O-N 3.1Å; T280-F423 WeakPolarHBondContact O-CB 3.42Å; T280-V425 HydrophobicContact CG2-CG1 4.16Å
281V98.6Very high97.9Very high0 Ų05.3 Ų5.30%03%0.027CC..Hα-helixtrans-62.1-46173.6-179.30000110.3L22 P229 V232 I276 P277 V278 D279 L284 M285 I305L22-V281 HydrophobicContact CD1-CB 4.29Å; L22-V281 HydrophobicContact CD1-CG1 3.88Å; P229-V281 HydrophobicContact CB-CG1 4.03Å; P229-V281 HydrophobicContact CB-CG2 3.99Å; P229-V281 HydrophobicContact CG-CG1 4.38Å; V232-V281 HydrophobicContact CG2-CG2 4.39Å; I276-V281 HydrophobicContact CB-CG2 4.4Å; I276-V281 HydrophobicContact CG1-CG2 3.83Å; I276-V281 HydrophobicContact CG2-CG2 3.68Å; P277-V281 PolarHBondContact O-N 3.4Å; V278-V281 WeakPolarHBondContact O-CB 3.25Å; V278-V281 PolarHBondContact O-N 2.84Å; D279-V281 VanDerWaalsContact C-N 3.34Å; D279-V281 PolarHBondContact O-N 2.78Å; V281-L284 PolarHBondContact O-N 3.11Å; V281-M285 HydrophobicContact CG1-CG 4.48Å; V281-M285 HydrophobicContact CG1-SD 4.03Å; V281-M285 WeakPolarHBondContact O-CG 3.14Å; V281-M285 PolarHBondContact O-N 2.82Å; V281-I305 HydrophobicContact CB-CG2 4.48Å; V281-I305 HydrophobicContact CG1-CG2 4.28Å; V281-I305 HydrophobicContact CG2-CG2 4.02Å
282V98.8Very high98.1Very high1 Ų15.1 Ų5.11%0.0063%0.025CC..Hα-helixtrans-65.7-40.1179.41670000111.8L22 V25 L26 K29 V278 D279 L284 M285 L286L22-V282 HydrophobicContact CD1-CG2 3.73Å; V25-V282 HydrophobicContact CB-CG2 3.98Å; V25-V282 HydrophobicContact CG1-CB 4.38Å; V25-V282 HydrophobicContact CG1-CG2 3.85Å; L26-V282 HydrophobicContact CB-CG1 4.47Å; L26-V282 HydrophobicContact CB-CG2 4.26Å; L26-V282 HydrophobicContact CD1-CG1 4.13Å; K29-V282 HydrophobicContact CB-CG1 3.57Å; K29-V282 HydrophobicContact CG-CG1 3.85Å; V278-V282 WeakPolarHBondContact O-CG2 3.45Å; V278-V282 PolarHBondContact O-N 2.99Å; D279-V282 PolarHBondContact O-N 2.86Å; V282-L284 PolarHBondContact O-N 3.12Å; V282-M285 HydrophobicContact CG2-SD 4.43Å; V282-M285 WeakPolarHBondContact O-CB 3.46Å; V282-M285 PolarHBondContact O-N 3.1Å; V282-M285 VanDerWaalsContact O-N 3.16Å; V282-L286 HydrophobicContact CG1-CD1 4.32Å; V282-L286 WeakPolarHBondContact O-CG 3.39Å; V282-L286 PolarHBondContact O-N 3.46Å
283N98.7Very high98.2Very high7 Ų74 Ų44%0.0372%0.018CC..Hα-helixtrans-60.4-45.8175.3-75.9-14.5000111.5K29 D279 T280 M285 L286 A287 F421 N422 F423K29-N283 WeakPolarHBondContact CE-OD1 3.25Å; K29-N283 PolarHBondContact NZ-OD1 3.29Å; D279-N283 WeakPolarHBondContact O-CB 3.31Å; D279-N283 VanDerWaalsContact O-CG 3.25Å; D279-N283 PolarHBondContact O-N 2.92Å; T280-N283 PolarHBondContact O-N 2.65Å; N283-M285 VanDerWaalsContact C-N 3.34Å; N283-M285 PolarHBondContact O-N 3.32Å; N283-L286 PolarHBondContact O-N 2.87Å; N283-A287 PolarHBondContact O-N 3.43Å; N283-F421 HydrophobicContact CB-CB 4.27Å; N283-N422 WeakPolarHBondContact CB-O 3.38Å; N283-N422 PolarHBondContact ND2-N 3.34Å; N283-N422 PolarHBondContact ND2-O 3.3Å; N283-F423 HydrophobicContact CB-CB 4.39Å
284L98.7Very high98.3Very high0 Ų07.7 Ų7.70%04%0.041CC..Hα-helixtrans-60.9-42.9172.7-179.467.7000111.6I227 T280 V281 V282 L286 A287 V288 I305 T406 L409 F423I227-L284 HydrophobicContact CG2-CD2 3.99Å; T280-L284 PolarHBondContact O-N 3.1Å; V281-L284 PolarHBondContact O-N 3.11Å; V282-L284 PolarHBondContact O-N 3.12Å; L284-L286 VanDerWaalsContact C-N 3.27Å; L284-L286 PolarHBondContact O-N 2.54Å; L284-A287 PolarHBondContact O-N 3.08Å; L284-V288 HydrophobicContact CD1-CG2 3.81Å; L284-V288 HydrophobicContact CG-CG2 3.92Å; L284-V288 WeakPolarHBondContact O-CB 3.04Å; L284-V288 VanDerWaalsContact O-CG2 3.24Å; L284-V288 WeakPolarHBondContact O-CG2 3.48Å; L284-V288 PolarHBondContact O-N 3.5Å; L284-I305 HydrophobicContact CD2-CB 3.55Å; L284-I305 HydrophobicContact CD2-CD1 4.22Å; L284-I305 HydrophobicContact CD2-CG1 4.13Å; L284-I305 HydrophobicContact CD2-CG2 4Å; L284-T406 HydrophobicContact CD1-CG2 4.13Å; L284-T406 HydrophobicContact CD2-CG2 4.35Å; L284-L409 HydrophobicContact CD1-CD2 3.7Å; L284-F423 HydrophobicContact CB-CB 4.08Å; L284-F423 HydrophobicContact CB-CD1 4.1Å; L284-F423 HydrophobicContact CB-CD2 4.48Å; L284-F423 HydrophobicContact CB-CG 3.98Å; L284-F423 HydrophobicContact CD1-CD1 4.15Å; L284-F423 HydrophobicContact CD1-CD2 3.89Å; L284-F423 HydrophobicContact CD1-CE1 4.05Å; L284-F423 HydrophobicContact CD1-CE2 3.76Å; L284-F423 HydrophobicContact CD1-CG 4.1Å; L284-F423 HydrophobicContact CD1-CZ 3.87Å
285M98.8Very high98.3Very high0 Ų011.5 Ų11.50%06%0.059CC..Hα-helixtrans-55.9-42.4178.6-72.7166.961.200112.8L22 L26 F109 I151 I227 V281 V282 N283 G289L22-M285 HydrophobicContact CD1-SD 3.94Å; L22-M285 HydrophobicContact CD2-CE 4.43Å; L22-M285 HydrophobicContact CD2-SD 3.93Å; L22-M285 HydrophobicContact CG-SD 4.08Å; L26-M285 HydrophobicContact CB-CE 4.44Å; L26-M285 HydrophobicContact CD1-CE 4Å; L26-M285 HydrophobicContact CD2-CE 3.63Å; L26-M285 HydrophobicContact CG-CE 4.23Å; F109-M285 HydrophobicContact CD1-CE 3.91Å; F109-M285 HydrophobicContact CE1-CB 4.11Å; F109-M285 HydrophobicContact CE1-CE 4.49Å; F109-M285 WeakPolarHBondContact CE1-O 3.38Å; I151-M285 HydrophobicContact CD1-CE 3.72Å; I151-M285 HydrophobicContact CD1-CG 3.76Å; I151-M285 HydrophobicContact CD1-SD 3.82Å; I151-M285 HydrophobicContact CG1-CE 3.99Å; I151-M285 HydrophobicContact CG1-SD 4.39Å; I227-M285 HydrophobicContact CD1-CB 4.04Å; I227-M285 HydrophobicContact CD1-CG 3.6Å; V281-M285 HydrophobicContact CG1-CG 4.48Å; V281-M285 HydrophobicContact CG1-SD 4.03Å; V281-M285 WeakPolarHBondContact O-CG 3.14Å; V281-M285 PolarHBondContact O-N 2.82Å; V282-M285 HydrophobicContact CG2-SD 4.43Å; V282-M285 WeakPolarHBondContact O-CB 3.46Å; V282-M285 PolarHBondContact O-N 3.1Å; V282-M285 VanDerWaalsContact O-N 3.16Å; N283-M285 VanDerWaalsContact C-N 3.34Å; N283-M285 PolarHBondContact O-N 3.32Å; M285-G289 PolarHBondContact O-N 3.24Å
286L98.8Very high98.3Very high0 Ų018.2 Ų18.20%08%0.084CC..Hα-helixtrans-73.3-38.9179.5-63.8178.6000112.1I4 Y8 L26 K29 L30 F109 V282 N283 L284 G289 W290 F421I4-L286 HydrophobicContact CG2-CB 4.25Å; Y8-L286 HydrophobicContact CD2-CD2 4.45Å; Y8-L286 HydrophobicContact CE1-CD2 4.42Å; Y8-L286 HydrophobicContact CE2-CB 3.96Å; Y8-L286 HydrophobicContact CE2-CD2 3.76Å; Y8-L286 HydrophobicContact CE2-CG 4.42Å; Y8-L286 PolarHBondContact OH-O 3.24Å; Y8-L286 VanDerWaalsContact OH-O 3.05Å; L26-L286 HydrophobicContact CD1-CD2 3.64Å; L26-L286 HydrophobicContact CD1-CG 4.09Å; K29-L286 HydrophobicContact CB-CD1 4.15Å; K29-L286 HydrophobicContact CG-CD1 3.4Å; K29-L286 VanDerWaalsContact CG-CD1 3.4Å; L30-L286 HydrophobicContact CD1-CD2 4.38Å; L30-L286 HydrophobicContact CD2-CD1 4.4Å; L30-L286 HydrophobicContact CD2-CD2 3.44Å; L30-L286 VanDerWaalsContact CD2-CD2 3.44Å; L30-L286 HydrophobicContact CG-CD1 4.45Å; L30-L286 HydrophobicContact CG-CD2 3.78Å; F109-L286 HydrophobicContact CE2-CD2 4.3Å; F109-L286 HydrophobicContact CZ-CD2 3.87Å; V282-L286 HydrophobicContact CG1-CD1 4.32Å; V282-L286 WeakPolarHBondContact O-CG 3.39Å; V282-L286 PolarHBondContact O-N 3.46Å; N283-L286 PolarHBondContact O-N 2.87Å; L284-L286 VanDerWaalsContact C-N 3.27Å; L284-L286 PolarHBondContact O-N 2.54Å; L286-G289 PolarHBondContact O-N 3.16Å; L286-W290 PolarHBondContact O-N 3.11Å; L286-F421 HydrophobicContact CB-CD1 3.98Å; L286-F421 HydrophobicContact CB-CE1 3.98Å; L286-F421 HydrophobicContact CD1-CD1 4.06Å; L286-F421 HydrophobicContact CD1-CE1 3.57Å; L286-F421 HydrophobicContact CG-CE1 4.42Å
287A98.8Very high98.1Very high0 Ų019.8 Ų19.80%09%0.093CC..Hα-helixtrans-63-44.8173.500000112.1I4 N283 L284 W290 Y291 L409 L413 F423I4-A287 HydrophobicContact CD1-CB 3.84Å; N283-A287 PolarHBondContact O-N 3.43Å; L284-A287 PolarHBondContact O-N 3.08Å; A287-W290 PolarHBondContact O-N 3.06Å; A287-Y291 WeakPolarHBondContact O-CB 3.14Å; A287-Y291 PolarHBondContact O-N 3.25Å; A287-L409 HydrophobicContact CB-CD2 3.95Å; A287-L409 HydrophobicContact CB-CG 4.37Å; A287-L413 HydrophobicContact CB-CD1 4.29Å; A287-F423 HydrophobicContact CB-CD1 4.48Å; A287-F423 HydrophobicContact CB-CE1 3.74Å
288V98.8Very high97.8Very high0 Ų030.4 Ų30.40%014%0.14CC..Hα-helixtrans-64.3-42.6175.8173.20000110.6I149 A225 I227 L284 W290 Y291 T292 Y303 L409I149-V288 HydrophobicContact CD1-CG1 4.02Å; A225-V288 HydrophobicContact CB-CG1 3.47Å; A225-V288 VanDerWaalsContact CB-CG1 3.47Å; I227-V288 HydrophobicContact CD1-CB 3.89Å; I227-V288 HydrophobicContact CD1-CG1 4.05Å; I227-V288 HydrophobicContact CD1-CG2 3.98Å; I227-V288 HydrophobicContact CG1-CB 4.43Å; I227-V288 HydrophobicContact CG1-CG1 4.21Å; I227-V288 HydrophobicContact CG1-CG2 4.23Å; L284-V288 HydrophobicContact CD1-CG2 3.81Å; L284-V288 HydrophobicContact CG-CG2 3.92Å; L284-V288 WeakPolarHBondContact O-CB 3.04Å; L284-V288 VanDerWaalsContact O-CG2 3.24Å; L284-V288 WeakPolarHBondContact O-CG2 3.48Å; L284-V288 PolarHBondContact O-N 3.5Å; V288-W290 VanDerWaalsContact C-N 3.35Å; V288-W290 PolarHBondContact O-N 2.75Å; V288-Y291 PolarHBondContact O-N 3.26Å; V288-T292 VanDerWaalsContact O-CB 3.28Å; V288-T292 WeakPolarHBondContact O-CB 3.33Å; V288-T292 PolarHBondContact O-N 3.28Å; V288-T292 PolarHBondContact O-OG1 3.17Å; V288-T292 VanDerWaalsContact O-OG1 3.08Å; V288-Y303 HydrophobicContact CB-CE2 4.45Å; V288-Y303 HydrophobicContact CG1-CD2 3.86Å; V288-Y303 HydrophobicContact CG1-CE2 3.63Å; V288-Y303 HydrophobicContact CG2-CD1 3.95Å; V288-Y303 HydrophobicContact CG2-CD2 3.76Å; V288-Y303 HydrophobicContact CG2-CE1 4.12Å; V288-Y303 HydrophobicContact CG2-CE2 3.94Å; V288-Y303 HydrophobicContact CG2-CG 3.76Å; V288-L409 HydrophobicContact CB-CD2 4.37Å; V288-L409 HydrophobicContact CG2-CD2 3.47Å; V288-L409 VanDerWaalsContact CG2-CD2 3.47Å
289G98.7Very high97.5Very high0 Ų034.3 Ų34.30%017%0.167CC..Hα-helixtrans-58.6-44.5177.200000113.1Y8 M285 L286 A293Y8-G289 WeakPolarHBondContact OH-CA 3.47Å; M285-G289 PolarHBondContact O-N 3.24Å; L286-G289 PolarHBondContact O-N 3.16Å; G289-A293 WeakPolarHBondContact O-CB 3.29Å; G289-A293 PolarHBondContact O-N 3.41Å
290W98.6Very high97.4Very high25 Ų2535.5 Ų35.510%0.09518%0.175CC..Hα-helixtrans-62.6-51.9171.3165.376.1000112T3 I4 F7 L286 A287 V288 T292 A293 V294 H295 L413T3-W290 HydrophobicContact CG2-CZ2 4.31Å; I4-W290 HydrophobicContact CG1-CB 4.07Å; I4-W290 HydrophobicContact CG1-CD2 3.92Å; I4-W290 HydrophobicContact CG1-CE3 4.09Å; I4-W290 HydrophobicContact CG1-CG 3.92Å; I4-W290 HydrophobicContact CG2-CB 4.3Å; F7-W290 HydrophobicContact CB-CG 4.48Å; F7-W290 HydrophobicContact CD1-CB 3.84Å; F7-W290 HydrophobicContact CD1-CG 4.39Å; F7-W290 HydrophobicContact CE1-CB 4.21Å; F7-W290 HydrophobicContact CG-CB 4.28Å; F7-W290 AromaticContact CG-CD1 3.6Å; F7-W290 HydrophobicContact CG-CG 4.35Å; L286-W290 PolarHBondContact O-N 3.11Å; A287-W290 PolarHBondContact O-N 3.06Å; V288-W290 VanDerWaalsContact C-N 3.35Å; V288-W290 PolarHBondContact O-N 2.75Å; W290-T292 PolarHBondContact O-N 3.3Å; W290-A293 PolarHBondContact O-N 3.08Å; W290-V294 WeakPolarHBondContact O-CB 3.44Å; W290-V294 WeakPolarHBondContact O-CG2 3.37Å; W290-V294 PolarHBondContact O-N 2.6Å; W290-H295 AromaticContact CH2-CE1 3.87Å; W290-L413 HydrophobicContact CE3-CD2 4.11Å; W290-L413 HydrophobicContact CH2-CD2 4.43Å; W290-L413 HydrophobicContact CZ3-CD2 3.64Å
291Y98.6Very high97.4Very high30 Ų3036.7 Ų36.712%0.11818%0.181CC..Hα-helixtrans-61.1-47-174.9-175.8-90.5000111.8A287 V288 A293 V294 H295 P297 L301 Y303 M408 L409 E412A287-Y291 WeakPolarHBondContact O-CB 3.14Å; A287-Y291 PolarHBondContact O-N 3.25Å; V288-Y291 PolarHBondContact O-N 3.26Å; Y291-A293 VanDerWaalsContact C-N 3.32Å; Y291-A293 PolarHBondContact O-N 3.42Å; Y291-V294 PolarHBondContact O-N 2.98Å; Y291-H295 HydrophobicContact CD1-CB 4.48Å; Y291-H295 AromaticContact CD2-CE1 3.6Å; Y291-H295 AromaticContact CD2-CG 3.93Å; Y291-H295 AromaticContact CD2-ND1 3.28Å; Y291-H295 VanDerWaalsContact CD2-ND1 3.28Å; Y291-H295 WeakPolarHBondContact CD2-ND1 3.39Å; Y291-H295 HydrophobicContact CE1-CB 4.2Å; Y291-H295 HydrophobicContact CE2-CB 4.31Å; Y291-H295 AromaticContact CE2-CE1 3.74Å; Y291-H295 AromaticContact CE2-CG 3.69Å; Y291-H295 AromaticContact CE2-ND1 3.5Å; Y291-H295 AromaticContact CG-ND1 3.76Å; Y291-H295 AromaticContact CZ-CG 3.97Å; Y291-H295 WeakPolarHBondContact O-CB 3.43Å; Y291-H295 PolarHBondContact O-N 2.92Å; Y291-H295 PolarHBondContact O-ND1 3.03Å; Y291-P297 HydrophobicContact CD1-CG 4.44Å; Y291-P297 HydrophobicContact CE1-CG 4.04Å; Y291-L301 HydrophobicContact CE1-CD1 4Å; Y291-Y303 WeakPolarHBondContact CD1-OH 3.42Å; Y291-M408 HydrophobicContact CE1-CE 4.12Å; Y291-M408 HydrophobicContact CE2-SD 4.23Å; Y291-L409 HydrophobicContact CD2-CD1 3.67Å; Y291-L409 HydrophobicContact CG-CD1 3.7Å; Y291-E412 HydrophobicContact CE2-CB 4.45Å; Y291-E412 HydrophobicContact CE2-CG 4.16Å
292T98.4Very high97.4Very high1 Ų136.8 Ų36.81%0.00618%0.181CC..Hα-helixtrans-61.1-39.2177.6-65.30000112.1A147 I149 N223 A225 V288 W290 R296A147-T292 HydrophobicContact CB-CG2 3.86Å; I149-T292 HydrophobicContact CD1-CG2 4.41Å; N223-T292 HydrophobicContact CB-CG2 3.75Å; N223-T292 WeakPolarHBondContact O-CG2 3.47Å; A225-T292 HydrophobicContact CB-CG2 4.5Å; A225-T292 WeakPolarHBondContact CB-OG1 3.04Å; V288-T292 VanDerWaalsContact O-CB 3.28Å; V288-T292 WeakPolarHBondContact O-CB 3.33Å; V288-T292 PolarHBondContact O-N 3.28Å; V288-T292 PolarHBondContact O-OG1 3.17Å; V288-T292 VanDerWaalsContact O-OG1 3.08Å; W290-T292 PolarHBondContact O-N 3.3Å; T292-R296 WeakPolarHBondContact O-CA 3.24Å; T292-R296 PolarHBondContact O-N 3.38Å
293A98.3Very high97.4Very high6 Ų636.8 Ų36.85%0.0518%0.181CC..Hα-helixtrans-70.4-42.1179.200000113.1F7 I107 E146 A147 G289 W290 Y291 R296F7-A293 HydrophobicContact CE1-CB 4.35Å; F7-A293 HydrophobicContact CE2-CB 3.62Å; F7-A293 HydrophobicContact CZ-CB 3.31Å; I107-A293 HydrophobicContact CD1-CB 4.31Å; E146-A293 HydrophobicContact CB-CB 3.88Å; A147-A293 HydrophobicContact CB-CB 4.05Å; G289-A293 WeakPolarHBondContact O-CB 3.29Å; G289-A293 PolarHBondContact O-N 3.41Å; W290-A293 PolarHBondContact O-N 3.08Å; Y291-A293 VanDerWaalsContact C-N 3.32Å; Y291-A293 PolarHBondContact O-N 3.42Å; A293-R296 WeakPolarHBondContact O-CG 3.42Å
294V97.8Very high97.3Very high78 Ų7836.4 Ų36.447%0.47318%0.179SC..Hα-helixtrans-81.1-48.6-174.8173.20000111.8F7 W290 Y291F7-V294 HydrophobicContact CD2-CG2 4.33Å; F7-V294 HydrophobicContact CE2-CG2 4.44Å; W290-V294 WeakPolarHBondContact O-CB 3.44Å; W290-V294 WeakPolarHBondContact O-CG2 3.37Å; W290-V294 PolarHBondContact O-N 2.6Å; Y291-V294 PolarHBondContact O-N 2.98Å
295H97.1Very high97.3Very high82 Ų8236.4 Ų36.438%0.3818%0.179SC..Hα-helixtrans-88.9-18-172.8-61.584.3000113.3W290 Y291W290-H295 AromaticContact CH2-CE1 3.87Å; Y291-H295 HydrophobicContact CD1-CB 4.48Å; Y291-H295 AromaticContact CD2-CE1 3.6Å; Y291-H295 AromaticContact CD2-CG 3.93Å; Y291-H295 AromaticContact CD2-ND1 3.28Å; Y291-H295 VanDerWaalsContact CD2-ND1 3.28Å; Y291-H295 WeakPolarHBondContact CD2-ND1 3.39Å; Y291-H295 HydrophobicContact CE1-CB 4.2Å; Y291-H295 HydrophobicContact CE2-CB 4.31Å; Y291-H295 AromaticContact CE2-CE1 3.74Å; Y291-H295 AromaticContact CE2-CG 3.69Å; Y291-H295 AromaticContact CE2-ND1 3.5Å; Y291-H295 AromaticContact CG-ND1 3.76Å; Y291-H295 AromaticContact CZ-CG 3.97Å; Y291-H295 WeakPolarHBondContact O-CB 3.43Å; Y291-H295 PolarHBondContact O-N 2.92Å; Y291-H295 PolarHBondContact O-ND1 3.03Å
296R96Very high97.3Very high146 Ų14636.4 Ų36.455%0.55118%0.179SC*.  trans42.664.2178.5-57.7-170.7173.4-155.4-1.7113.2T292 A293 K298T292-R296 WeakPolarHBondContact O-CA 3.24Å; T292-R296 PolarHBondContact O-N 3.38Å; A293-R296 WeakPolarHBondContact O-CG 3.42Å; R296-K298 PolarHBondContact O-N 3.15Å
297P94.4Very high97.1Very high32 Ų3236.4 Ų36.421%0.20818%0.179CC..  trans-54.2140.8-178.8-23.533.9000111.8Y291 S299 L301Y291-P297 HydrophobicContact CD1-CG 4.44Å; Y291-P297 HydrophobicContact CE1-CG 4.04Å; P297-S299 PolarHBondContact O-N 3.33Å; P297-L301 HydrophobicContact CB-CD1 3.82Å; P297-L301 HydrophobicContact CB-CG 3.94Å; P297-L301 HydrophobicContact CG-CD1 3.6Å; P297-L301 HydrophobicContact CG-CG 4.15Å
298K91.2Very high96.7Very high224 Ų22436.8 Ų36.897%0.97418%0.183SC*.SBendtrans-64.2-26.5-178-67.8-175.3179.3179.40113.6R296R296-K298 PolarHBondContact O-N 3.15Å
299S92.1Very high96.2Very high81 Ų8140.4 Ų40.457%0.56620%0.202SC*.SBendtrans-122.6156.2178.1560000110.3P297 L301P297-S299 PolarHBondContact O-N 3.33Å; S299-L301 PolarHBondContact O-N 3.25Å; S299-L301 VanDerWaalsContact O-N 3.14Å
300T95.9Very high95.9Very high31 Ų3142 Ų4219%0.1921%0.21CC..  trans-64.3113.4173.9-55.90000110.1I167 V215 I224 I226I167-T300 HydrophobicContact CD1-CG2 4.25Å; V215-T300 HydrophobicContact CG1-CG2 4.37Å; I224-T300 HydrophobicContact CB-CG2 4.22Å; I224-T300 HydrophobicContact CG2-CG2 4.01Å; I226-T300 HydrophobicContact CD1-CG2 4.09Å; I226-T300 HydrophobicContact CG1-CG2 3.99Å
301L97.6Very high95.8Very high27 Ų2742.3 Ų42.314%0.14121%0.214CC..EExtended strand (participates in β ladder)trans-81.8141.5175.2-63.6-179000110.7A225 I226 Y291 P297 S299 Y303A225-L301 WeakPolarHBondContact CA-O 3.4Å; I226-L301 PolarHBondContact N-O 2.98Å; Y291-L301 HydrophobicContact CE1-CD1 4Å; P297-L301 HydrophobicContact CB-CD1 3.82Å; P297-L301 HydrophobicContact CB-CG 3.94Å; P297-L301 HydrophobicContact CG-CD1 3.6Å; P297-L301 HydrophobicContact CG-CG 4.15Å; S299-L301 PolarHBondContact O-N 3.25Å; S299-L301 VanDerWaalsContact O-N 3.14Å; L301-Y303 HydrophobicContact CB-CD2 4.44Å; L301-Y303 HydrophobicContact CB-CE2 3.58Å; L301-Y303 VanDerWaalsContact CD1-OH 3.23Å; L301-Y303 WeakPolarHBondContact CD1-OH 3.44Å
302V98.6Very high95.7Very high2 Ų244.5 Ų44.51%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-111136174.8-1750000108.7E165 I167 I226 R228 N405E165-V302 HydrophobicContact CB-CB 4.23Å; E165-V302 WeakPolarHBondContact CB-O 3.45Å; E165-V302 WeakPolarHBondContact CG-O 3.45Å; I167-V302 HydrophobicContact CG1-CG2 3.92Å; I226-V302 HydrophobicContact CB-CG1 4.39Å; I226-V302 HydrophobicContact CB-CG2 4.25Å; I226-V302 HydrophobicContact CD1-CG2 4.47Å; I226-V302 HydrophobicContact CG2-CG1 4.32Å; I226-V302 CarbonylContact O-C 3.57Å; I226-V302 VanDerWaalsContact O-CA 3.29Å; I226-V302 WeakPolarHBondContact O-CA 3.28Å; R228-V302 HydrophobicContact CG-CG1 4.22Å; V302-N405 WeakPolarHBondContact O-CB 3.4Å; V302-N405 PolarHBondContact O-ND2 3.1Å
303Y98.6Very high95.6Very high0 Ų044.7 Ų44.70%023%0.233CC..EExtended strand (participates in β ladder)trans-123.4120.8-179.2-60.5-95.2000110.2E165 A225 I226 I227 R228 V288 Y291 L301 N405 L409E165-Y303 WeakPolarHBondContact OE1-CA 3.35Å; A225-Y303 HydrophobicContact CB-CD2 4.31Å; A225-Y303 HydrophobicContact CB-CE2 3.89Å; I226-Y303 PolarHBondContact O-N 3.06Å; I227-Y303 WeakPolarHBondContact CA-O 3.47Å; R228-Y303 PolarHBondContact N-O 3.35Å; V288-Y303 HydrophobicContact CB-CE2 4.45Å; V288-Y303 HydrophobicContact CG1-CD2 3.86Å; V288-Y303 HydrophobicContact CG1-CE2 3.63Å; V288-Y303 HydrophobicContact CG2-CD1 3.95Å; V288-Y303 HydrophobicContact CG2-CD2 3.76Å; V288-Y303 HydrophobicContact CG2-CE1 4.12Å; V288-Y303 HydrophobicContact CG2-CE2 3.94Å; V288-Y303 HydrophobicContact CG2-CG 3.76Å; Y291-Y303 WeakPolarHBondContact CD1-OH 3.42Å; L301-Y303 HydrophobicContact CB-CD2 4.44Å; L301-Y303 HydrophobicContact CB-CE2 3.58Å; L301-Y303 VanDerWaalsContact CD1-OH 3.23Å; L301-Y303 WeakPolarHBondContact CD1-OH 3.44Å; Y303-N405 HydrophobicContact CD1-CB 3.77Å; Y303-N405 HydrophobicContact CE1-CB 3.79Å; Y303-N405 WeakPolarHBondContact CE1-O 3.44Å; Y303-N405 HydrophobicContact CG-CB 4.46Å; Y303-L409 HydrophobicContact CD1-CD2 4.29Å; Y303-L409 HydrophobicContact CE1-CB 4.07Å; Y303-L409 HydrophobicContact CE1-CD2 3.97Å
304H98.4Very high95.4Very high0 Ų046.1 Ų46.10%024%0.24CC..EExtended strand (participates in β ladder)trans-87.5125.3172-76.7166.2000111I163 D164 E165 R228 T306 S402 T403 T406I163-H304 PolarHBondContact O-CE1 2.86Å; D164-H304 PolarHBondContact O-CE1 3.16Å; E165-H304 HydrophobicContact CG-CB 4.12Å; E165-H304 PolarHBondContact OE1-N 2.68Å; R228-H304 VanDerWaalsContact CD-CD2 3.47Å; R228-H304 WeakPolarHBondContact CD-CD2 3.28Å; R228-H304 WeakPolarHBondContact CD-NE2 3.48Å; R228-H304 PolarHBondContact NH1-NE2 3.02Å; H304-T306 HydrophobicContact CB-CG2 4.37Å; H304-S402 PolarHBondContact ND1-O 2.9Å; H304-T403 HydrophobicContact CB-CG2 4.23Å; H304-T406 PolarHBondContact N-OG1 3.3Å; H304-T406 PolarHBondContact O-OG1 3.42Å
305I98.1Very high95.3Very high0 Ų044 Ų440%022%0.223CC..EExtended strand (participates in β ladder)trans-117.788.7168.5-16967.6000109.5I227 R228 P229 S230 I276 V281 L284 M310 F423I227-I305 HydrophobicContact CG2-CG2 4.17Å; R228-I305 PolarHBondContact O-N 2.73Å; R228-I305 VanDerWaalsContact O-N 3.1Å; P229-I305 VanDerWaalsContact CA-CG2 3.49Å; P229-I305 WeakPolarHBondContact CA-O 3.46Å; P229-I305 HydrophobicContact CB-CG2 3.71Å; S230-I305 PolarHBondContact N-O 2.79Å; S230-I305 VanDerWaalsContact N-O 3.1Å; I276-I305 HydrophobicContact CD1-CD1 4.18Å; I276-I305 HydrophobicContact CD1-CG1 3.76Å; I276-I305 HydrophobicContact CG1-CG1 3.81Å; V281-I305 HydrophobicContact CB-CG2 4.48Å; V281-I305 HydrophobicContact CG1-CG2 4.28Å; V281-I305 HydrophobicContact CG2-CG2 4.02Å; L284-I305 HydrophobicContact CD2-CB 3.55Å; L284-I305 HydrophobicContact CD2-CD1 4.22Å; L284-I305 HydrophobicContact CD2-CG1 4.13Å; L284-I305 HydrophobicContact CD2-CG2 4Å; I305-M310 HydrophobicContact CD1-CE 4.46Å; I305-F423 HydrophobicContact CD1-CB 4.2Å
306T97.6Very high95.2Very high0 Ų044.6 Ų44.60%023%0.226CC..  trans-129.9154.3-174.869.20000109.5A154 H304 M310 W401A154-T306 HydrophobicContact CB-CG2 3.68Å; H304-T306 HydrophobicContact CB-CG2 4.37Å; T306-M310 WeakPolarHBondContact O-CE 3.07Å; T306-W401 HydrophobicContact CG2-CB 4.29Å; T306-W401 HydrophobicContact CG2-CD2 3.92Å; T306-W401 HydrophobicContact CG2-CG 3.8Å; T306-W401 WeakPolarHBondContact OG1-CB 3.36Å
307S96.1Very high95.1Very high0 Ų042.4 Ų42.40%022%0.22CC..SBendtrans-97.8-20178.653.90000113.6V275 N309 M310 N311V275-S307 PolarHBondContact N-OG 3.34Å; V275-S307 WeakPolarHBondContact O-CB 3.35Å; V275-S307 PolarHBondContact O-OG 3.15Å; S307-N309 VanDerWaalsContact C-N 3.35Å; S307-N309 PolarHBondContact O-N 3.11Å; S307-M310 PolarHBondContact O-N 3.06Å; S307-N311 CarbonylContact O-C 3.54Å; S307-N311 WeakPolarHBondContact O-CA 3.5Å; S307-N311 PolarHBondContact O-N 2.97Å
308G90.7Very high95.2Very high8 Ų841.4 Ų41.48%0.08221%0.213CC..THydrogen-bonded Turntrans-62-36-17100000115.1D274 P312D274-G308 WeakPolarHBondContact OD1-CA 2.86Å; D274-G308 PolarHBondContact OD1-N 3.36Å; G308-P312 VanDerWaalsContact O-CB 3.31Å; G308-P312 WeakPolarHBondContact O-CB 3.43Å
309N87.8Confident95.3Very high76 Ų7631.3 Ų31.341%0.40617%0.173SC..THydrogen-bonded Turntrans-86.8-33.7178.8-78.128.8000112.5S307 W401S307-N309 VanDerWaalsContact C-N 3.35Å; S307-N309 PolarHBondContact O-N 3.11Å; N309-W401 PolarHBondContact ND2-N 2.98Å; N309-W401 PolarHBondContact ND2-O 2.81Å; N309-W401 PolarHBondContact OD1-N 3.01Å
310M91.8Very high95.5Very high34 Ų3431.1 Ų31.117%0.16717%0.168CC..THydrogen-bonded Turntrans-88.7-40.6-174.3-68.1-169.1-80.600113.4I305 T306 S307 V425 R426I305-M310 HydrophobicContact CD1-CE 4.46Å; T306-M310 WeakPolarHBondContact O-CE 3.07Å; S307-M310 PolarHBondContact O-N 3.06Å; M310-V425 HydrophobicContact CB-CG2 3.87Å; M310-V425 HydrophobicContact CE-CG2 3.71Å; M310-V425 HydrophobicContact SD-CG2 4.3Å; M310-R426 HydrophobicContact CB-CG 4.09Å; M310-R426 WeakPolarHBondContact O-CG 3.44Å
311N96.3Very high95.5Very high30 Ų3031 Ų3116%0.1617%0.166CC..SBendtrans-151.568.8-176.1-172.93.9000110.9S307 V425 L428 W430S307-N311 CarbonylContact O-C 3.54Å; S307-N311 WeakPolarHBondContact O-CA 3.5Å; S307-N311 PolarHBondContact O-N 2.97Å; N311-V425 WeakPolarHBondContact CB-O 3.33Å; N311-V425 PolarHBondContact ND2-O 3.28Å; N311-L428 PolarHBondContact ND2-O 2.94Å; N311-W430 VanDerWaalsContact O-CZ2 3.25Å; N311-W430 WeakPolarHBondContact O-CZ2 3.33Å; N311-W430 PolarHBondContact O-NE1 3.34Å; N311-W430 PolarHBondContact OD1-NE1 2.95Å; N311-W430 VanDerWaalsContact OD1-NE1 3.13Å
312P96.1Very high95.5Very high76 Ų7630.6 Ų30.649%0.49416%0.164SC..  trans-63.4138.9-173.320.9-30.6000113.3V272 G308V272-P312 HydrophobicContact CG1-CB 4.36Å; V272-P312 HydrophobicContact CG2-CB 4.46Å; G308-P312 VanDerWaalsContact O-CB 3.31Å; G308-P312 WeakPolarHBondContact O-CB 3.43Å
313C96.5Very high95.3Very high5 Ų532.5 Ų32.53%0.03417%0.174CC..  trans-136.1137.3167-176.10000108.9A273 M318 W430A273-C313 WeakPolarHBondContact CB-O 3.43Å; A273-C313 PolarHBondContact N-O 3.25Å; C313-M318 HydrophobicContact CB-CE 3.78Å; C313-M318 VanDerWaalsContact SG-CG 3.54Å; C313-W430 HydrophobicContact CB-CD2 3.58Å; C313-W430 VanDerWaalsContact CB-CE2 3.43Å; C313-W430 HydrophobicContact CB-CE3 4.26Å; C313-W430 HydrophobicContact CB-CG 3.72Å; C313-W430 HydrophobicContact CB-CZ2 3.95Å
314N95.7Very high95.2Very high37 Ų3734.3 Ų34.320%0.19819%0.189CC..BIsolated β-bridgetrans-92.5161-178.961.947.1000112.5A271 H316 K317 M318A271-N314 VanDerWaalsContact O-CA 3.28Å; A271-N314 WeakPolarHBondContact O-CA 3.13Å; A271-N314 WeakPolarHBondContact O-CB 3.31Å; N314-H316 PolarHBondContact O-N 3.04Å; N314-H316 WeakPolarHBondContact OD1-CB 3.4Å; N314-H316 PolarHBondContact OD1-N 2.91Å; N314-K317 PolarHBondContact O-N 2.91Å; N314-K317 WeakPolarHBondContact OD1-CB 3.36Å; N314-K317 PolarHBondContact OD1-N 3.4Å; N314-M318 PolarHBondContact O-N 2.96Å; N314-M318 VanDerWaalsContact O-N 3.12Å
315W94.6Very high95.1Very high34 Ų3434.3 Ų34.313%0.12919%0.189CC..Hα-helixtrans-57.6-34.4-180-68.6113.3000113.3I231 P269 A271 A273 M318 G319 F342 I395I231-W315 HydrophobicContact CD1-CH2 4.12Å; I231-W315 HydrophobicContact CD1-CZ2 4.28Å; P269-W315 PolarHBondContact O-N 3Å; A271-W315 VanDerWaalsContact O-CD1 3.25Å; A271-W315 PolarHBondContact O-N 2.87Å; A271-W315 VanDerWaalsContact O-N 3.14Å; A273-W315 HydrophobicContact CB-CD2 3.44Å; A273-W315 VanDerWaalsContact CB-CD2 3.44Å; A273-W315 HydrophobicContact CB-CE3 3.5Å; A273-W315 VanDerWaalsContact CB-CE3 3.5Å; A273-W315 HydrophobicContact CB-CG 4.05Å; A273-W315 HydrophobicContact CB-CH2 3.77Å; A273-W315 HydrophobicContact CB-CZ2 3.72Å; A273-W315 HydrophobicContact CB-CZ3 3.66Å; W315-M318 HydrophobicContact CZ3-SD 4.47Å; W315-G319 PolarHBondContact O-N 3.46Å; W315-F342 HydrophobicContact CB-CE1 3.94Å; W315-F342 HydrophobicContact CB-CZ 4.06Å; W315-F342 VanDerWaalsContact O-CZ 3.25Å; W315-F342 WeakPolarHBondContact O-CZ 3.2Å; W315-I395 HydrophobicContact CD2-CG2 4.21Å; W315-I395 HydrophobicContact CG-CG2 4.12Å; W315-I395 HydrophobicContact CZ2-CG1 4.45Å; W315-I395 PolarHBondContact NE1-O 3.18Å
316H94.8Very high95.1Very high93 Ų9334.5 Ų34.543%0.43119%0.189SC..Hα-helixtrans-62.4-53.2177.3-178.871.5000112.2P269 N314 M318 G319 V320P269-H316 HydrophobicContact CB-CB 3.95Å; P269-H316 WeakPolarHBondContact O-CB 3.27Å; P269-H316 PolarHBondContact O-N 3.27Å; N314-H316 PolarHBondContact O-N 3.04Å; N314-H316 WeakPolarHBondContact OD1-CB 3.4Å; N314-H316 PolarHBondContact OD1-N 2.91Å; H316-M318 VanDerWaalsContact C-N 3.34Å; H316-M318 PolarHBondContact O-N 3.19Å; H316-G319 PolarHBondContact O-N 2.59Å; H316-G319 VanDerWaalsContact O-N 3.15Å; H316-V320 WeakPolarHBondContact O-CG2 3.26Å; H316-V320 PolarHBondContact O-N 3.45Å
317K95.1Very high94.9Very high100 Ų10040.7 Ų40.744%0.43522%0.218SC..Hα-helixtrans-59.9-44.4179.7-176.5175.8177.3-176.80111N314 Q321N314-K317 PolarHBondContact O-N 2.91Å; N314-K317 WeakPolarHBondContact OD1-CB 3.36Å; N314-K317 PolarHBondContact OD1-N 3.4Å; K317-Q321 PolarHBondContact O-N 3.08Å; K317-Q321 VanDerWaalsContact O-N 3.17Å
318M94.8Very high94.8Very high11 Ų1145.5 Ų45.55%0.05424%0.239CC..Hα-helixtrans-60.9-47173.8-68.5-164.1179.800111.8A273 V275 C313 N314 W315 H316 V320 Q321 V322 W430 I434A273-M318 HydrophobicContact CB-CE 3.58Å; A273-M318 HydrophobicContact CB-CG 4.39Å; A273-M318 HydrophobicContact CB-SD 3.46Å; A273-M318 WeakPolarHBondContact CB-SD 3.4Å; A273-M318 VanDerWaalsContact O-CE 3.31Å; A273-M318 WeakPolarHBondContact O-CE 3.36Å; V275-M318 HydrophobicContact CB-CE 4.3Å; V275-M318 HydrophobicContact CG2-CE 4.2Å; V275-M318 HydrophobicContact CG2-SD 4.25Å; C313-M318 HydrophobicContact CB-CE 3.78Å; C313-M318 VanDerWaalsContact SG-CG 3.54Å; N314-M318 PolarHBondContact O-N 2.96Å; N314-M318 VanDerWaalsContact O-N 3.12Å; W315-M318 HydrophobicContact CZ3-SD 4.47Å; H316-M318 VanDerWaalsContact C-N 3.34Å; H316-M318 PolarHBondContact O-N 3.19Å; M318-V320 PolarHBondContact O-N 2.85Å; M318-Q321 PolarHBondContact O-N 3.47Å; M318-V322 WeakPolarHBondContact O-CG2 3.33Å; M318-V322 PolarHBondContact O-N 3.33Å; M318-W430 HydrophobicContact CE-CD2 4.3Å; M318-W430 HydrophobicContact CE-CE3 3.64Å; M318-W430 HydrophobicContact CE-CH2 3.65Å; M318-W430 HydrophobicContact CE-CZ2 4.31Å; M318-W430 HydrophobicContact CE-CZ3 3.29Å; M318-I434 HydrophobicContact CG-CD1 4.33Å; M318-I434 HydrophobicContact SD-CD1 4.26Å
319G94.5Very high95Very high12 Ų1246.1 Ų46.112%0.12424%0.241CC..Hα-helixtrans-61.2-43.7-178.800000113W315 H316 V322 L323W315-G319 PolarHBondContact O-N 3.46Å; H316-G319 PolarHBondContact O-N 2.59Å; H316-G319 VanDerWaalsContact O-N 3.15Å; G319-V322 PolarHBondContact O-N 2.98Å; G319-L323 WeakPolarHBondContact O-CG 3.49Å; G319-L323 PolarHBondContact O-N 2.88Å
320V95.5Very high95.4Very high78 Ų7842.6 Ų42.647%0.47322%0.222SC..Hα-helixtrans-60.3-46175.2170.90000110.7H316 M318 L323 A324H316-V320 WeakPolarHBondContact O-CG2 3.26Å; H316-V320 PolarHBondContact O-N 3.45Å; M318-V320 PolarHBondContact O-N 2.85Å; V320-L323 PolarHBondContact O-N 2.89Å; V320-A324 WeakPolarHBondContact O-CB 3.5Å; V320-A324 PolarHBondContact O-N 2.62Å
321Q96.2Very high95.7Very high29 Ų2941 Ų4114%0.13621%0.214CC..Hα-helixtrans-66.9-38.1179.7-176.663.63.400112.7K317 M318 A324 T325 L431 I434K317-Q321 PolarHBondContact O-N 3.08Å; K317-Q321 VanDerWaalsContact O-N 3.17Å; M318-Q321 PolarHBondContact O-N 3.47Å; Q321-A324 PolarHBondContact O-N 3.24Å; Q321-T325 WeakPolarHBondContact O-CB 3.36Å; Q321-T325 PolarHBondContact O-N 3.12Å; Q321-T325 PolarHBondContact O-OG1 2.77Å; Q321-L431 HydrophobicContact CB-CD2 4.08Å; Q321-L431 HydrophobicContact CG-CB 4.48Å; Q321-L431 HydrophobicContact CG-CD2 3.96Å; Q321-L431 PolarHBondContact NE2-O 2.92Å; Q321-I434 HydrophobicContact CB-CB 4.42Å; Q321-I434 HydrophobicContact CB-CG2 3.96Å; Q321-I434 HydrophobicContact CG-CB 3.8Å; Q321-I434 HydrophobicContact CG-CG2 3.62Å
322V96.7Very high95.7Very high17 Ų1742 Ų4210%0.10322%0.218CC..Hα-helixtrans-60-46.41731670000110.5M318 G319 T325 F326 I434 V438M318-V322 WeakPolarHBondContact O-CG2 3.33Å; M318-V322 PolarHBondContact O-N 3.33Å; G319-V322 PolarHBondContact O-N 2.98Å; V322-T325 PolarHBondContact O-N 3.43Å; V322-F326 HydrophobicContact CG1-CD2 4.01Å; V322-F326 HydrophobicContact CG1-CE2 3.32Å; V322-F326 HydrophobicContact CG1-CZ 3.7Å; V322-F326 WeakPolarHBondContact O-CD2 3.34Å; V322-F326 WeakPolarHBondContact O-CG 3.19Å; V322-F326 PolarHBondContact O-N 2.91Å; V322-I434 HydrophobicContact CB-CG2 4.45Å; V322-I434 HydrophobicContact CG2-CG2 3.52Å; V322-V438 HydrophobicContact CB-CG2 4.47Å; V322-V438 HydrophobicContact CG1-CG2 4.24Å; V322-V438 HydrophobicContact CG2-CG2 4.13Å
323L96.2Very high95.6Very high43 Ų4347.5 Ų47.523%0.22523%0.229CC..Hα-helixtrans-64.7-44.1178.2-69.7178.5000112.2T257 G319 V320 T325 F326 E327 P338 A340T257-L323 HydrophobicContact CG2-CD2 4.17Å; G319-L323 WeakPolarHBondContact O-CG 3.49Å; G319-L323 PolarHBondContact O-N 2.88Å; V320-L323 PolarHBondContact O-N 2.89Å; L323-T325 VanDerWaalsContact C-N 3.27Å; L323-T325 PolarHBondContact O-N 3.27Å; L323-F326 HydrophobicContact CD2-CD2 4.26Å; L323-F326 WeakPolarHBondContact O-CB 3.45Å; L323-F326 PolarHBondContact O-N 3.27Å; L323-F326 VanDerWaalsContact O-N 3.12Å; L323-E327 PolarHBondContact O-N 3.17Å; L323-P338 HydrophobicContact CD2-CB 4.19Å; L323-A340 HydrophobicContact CD1-CB 4.01Å; L323-A340 HydrophobicContact CD2-CB 4.15Å; L323-A340 HydrophobicContact CG-CB 4.22Å
324A96.3Very high95.5Very high38 Ų3847.3 Ų47.331%0.31423%0.227SC..Hα-helixtrans-59.3-40.1175.100000111.4V320 Q321 F326 E327 K328V320-A324 WeakPolarHBondContact O-CB 3.5Å; V320-A324 PolarHBondContact O-N 2.62Å; Q321-A324 PolarHBondContact O-N 3.24Å; A324-F326 VanDerWaalsContact C-N 3.35Å; A324-F326 PolarHBondContact O-N 2.83Å; A324-E327 WeakPolarHBondContact O-CB 3.33Å; A324-E327 PolarHBondContact O-N 3.15Å; A324-K328 PolarHBondContact O-N 3.46Å
325T96.8Very high95.4Very high0 Ų047.6 Ų47.60%023%0.227CC..Hα-helixtrans-65-37.8176-53.40000111.6Q321 V322 L323 E327 K328 I329 E435 V438Q321-T325 WeakPolarHBondContact O-CB 3.36Å; Q321-T325 PolarHBondContact O-N 3.12Å; Q321-T325 PolarHBondContact O-OG1 2.77Å; V322-T325 PolarHBondContact O-N 3.43Å; L323-T325 VanDerWaalsContact C-N 3.27Å; L323-T325 PolarHBondContact O-N 3.27Å; T325-E327 PolarHBondContact O-N 3.23Å; T325-K328 PolarHBondContact O-N 3.24Å; T325-K328 VanDerWaalsContact O-N 3.15Å; T325-I329 HydrophobicContact CG2-CD1 4.29Å; T325-I329 PolarHBondContact O-N 3.29Å; T325-E435 HydrophobicContact CG2-CB 4.47Å; T325-E435 HydrophobicContact CG2-CG 4.04Å; T325-V438 HydrophobicContact CG2-CB 3.72Å; T325-V438 HydrophobicContact CG2-CG1 3.7Å; T325-V438 HydrophobicContact CG2-CG2 4.37Å
326F96.6Very high95.4Very high3 Ų348.2 Ų48.21%0.01323%0.229CC..Hα-helixtrans-65.1-24.7174.9-68.1-41.7000114.2I254 T257 V322 L323 A324 P330 F331 P338 V438I254-F326 HydrophobicContact CG2-CE1 4.33Å; I254-F326 HydrophobicContact CG2-CZ 3.92Å; I254-F326 WeakPolarHBondContact O-CZ 3.39Å; T257-F326 HydrophobicContact CG2-CE2 3.89Å; V322-F326 HydrophobicContact CG1-CD2 4.01Å; V322-F326 HydrophobicContact CG1-CE2 3.32Å; V322-F326 HydrophobicContact CG1-CZ 3.7Å; V322-F326 WeakPolarHBondContact O-CD2 3.34Å; V322-F326 WeakPolarHBondContact O-CG 3.19Å; V322-F326 PolarHBondContact O-N 2.91Å; L323-F326 HydrophobicContact CD2-CD2 4.26Å; L323-F326 WeakPolarHBondContact O-CB 3.45Å; L323-F326 PolarHBondContact O-N 3.27Å; L323-F326 VanDerWaalsContact O-N 3.12Å; A324-F326 VanDerWaalsContact C-N 3.35Å; A324-F326 PolarHBondContact O-N 2.83Å; F326-P330 VanDerWaalsContact O-CA 3.31Å; F326-P330 WeakPolarHBondContact O-CA 3.4Å; F326-P330 WeakPolarHBondContact O-CB 3.38Å; F326-P330 WeakPolarHBondContact O-CD 3.28Å; F326-F331 HydrophobicContact CD1-CE1 4.48Å; F326-F331 HydrophobicContact CD1-CZ 4.47Å; F326-F331 HydrophobicContact CE1-CD1 4.39Å; F326-F331 HydrophobicContact CE1-CD2 4.1Å; F326-F331 AromaticContact CE1-CE1 3.91Å; F326-F331 HydrophobicContact CE1-CE1 3.91Å; F326-F331 AromaticContact CE1-CE2 3.59Å; F326-F331 HydrophobicContact CE1-CE2 3.59Å; F326-F331 HydrophobicContact CE1-CG 4.48Å; F326-F331 AromaticContact CE1-CZ 3.51Å; F326-F331 HydrophobicContact CE1-CZ 3.51Å; F326-F331 HydrophobicContact CZ-CE2 4.06Å; F326-F331 HydrophobicContact CZ-CZ 4.25Å; F326-P338 HydrophobicContact CB-CB 4.22Å; F326-P338 HydrophobicContact CB-CG 3.99Å; F326-P338 HydrophobicContact CD2-CB 3.65Å; F326-P338 HydrophobicContact CD2-CG 4.09Å; F326-P338 HydrophobicContact CE2-CB 4.34Å; F326-P338 HydrophobicContact CG-CB 4.18Å; F326-P338 HydrophobicContact CG-CG 4.13Å; F326-V438 HydrophobicContact CD1-CG1 3.84Å; F326-V438 HydrophobicContact CE1-CG1 3.53Å; F326-V438 HydrophobicContact CZ-CG1 4.38Å
327E94Very high95.4Very high130 Ų13047.6 Ų47.661%0.60722%0.223SC*.Hα-helixtrans-71.3-37.9173.2-59.2-162.3147.900111.5L323 A324 T325 K457L323-E327 PolarHBondContact O-N 3.17Å; A324-E327 WeakPolarHBondContact O-CB 3.33Å; A324-E327 PolarHBondContact O-N 3.15Å; T325-E327 PolarHBondContact O-N 3.23Å; E327-K457 WeakPolarHBondContact O-CE 3.43Å
328K94.8Very high95.3Very high101 Ų10143.9 Ų43.944%0.43921%0.209SC..Hα-helixtrans-74.8-46.8175.7-60.7-179.7-173.51760112.2A324 T325 E435 K457A324-K328 PolarHBondContact O-N 3.46Å; T325-K328 PolarHBondContact O-N 3.24Å; T325-K328 VanDerWaalsContact O-N 3.15Å; K328-E435 WeakPolarHBondContact CD-OE1 3.5Å; K328-E435 IonicContact NZ-OE1 2.9Å; K328-E435 PolarHBondContact NZ-OE1 2.96Å; K328-E435 VanDerWaalsContact NZ-OE1 3.11Å; K328-E435 IonicContact NZ-OE2 3.17Å; K328-E435 PolarHBondContact NZ-OE2 3.07Å; K328-K457 WeakPolarHBondContact O-CE 3.35Å; K328-K457 PolarHBondContact O-NZ 3.36Å
329I94.4Very high95.2Very high22 Ų2245.4 Ų45.411%0.11322%0.217CC..SBendtrans-13174-170.3-56.3159.1000109.1T325 L439 K442 M450 I453T325-I329 HydrophobicContact CG2-CD1 4.29Å; T325-I329 PolarHBondContact O-N 3.29Å; I329-L439 HydrophobicContact CD1-CD1 4.28Å; I329-L439 HydrophobicContact CG2-CD1 4.46Å; I329-K442 HydrophobicContact CG2-CD 3.62Å; I329-M450 HydrophobicContact CG2-CE 4.32Å; I329-I453 HydrophobicContact CG1-CD1 4.36Å; I329-I453 HydrophobicContact CG2-CD1 3.93Å; I329-I453 HydrophobicContact CG2-CG1 4.41Å
330P96.6Very high94.6Very high1 Ų145.7 Ų45.71%0.00622%0.219CC..PPolyproline II helixtrans-70.5145.9177.426.5-34.1000112.6F326 K442 A456 K457 L460F326-P330 VanDerWaalsContact O-CA 3.31Å; F326-P330 WeakPolarHBondContact O-CA 3.4Å; F326-P330 WeakPolarHBondContact O-CB 3.38Å; F326-P330 WeakPolarHBondContact O-CD 3.28Å; P330-K442 PolarHBondContact O-NZ 2.91Å; P330-A456 HydrophobicContact CB-CB 4.1Å; P330-A456 HydrophobicContact CG-CB 3.7Å; P330-K457 HydrophobicContact CG-CB 4.46Å; P330-K457 HydrophobicContact CG-CG 3.67Å; P330-L460 HydrophobicContact CB-CD1 3.52Å; P330-L460 HydrophobicContact CB-CG 4.1Å; P330-L460 HydrophobicContact CG-CD1 4.22Å
331F97.3Very high94.3Very high1 Ų144.6 Ų44.60%0.00421%0.21CC..PPolyproline II helixtrans-68.2154.1167.8-63.7-16.6000111.3I254 K259 F326 P334 V438 V441 K442 L446 E448I254-F331 HydrophobicContact CG2-CE2 4.28Å; I254-F331 HydrophobicContact CG2-CZ 3.97Å; K259-F331 HydrophobicContact CD-CB 4.2Å; F326-F331 HydrophobicContact CD1-CE1 4.48Å; F326-F331 HydrophobicContact CD1-CZ 4.47Å; F326-F331 HydrophobicContact CE1-CD1 4.39Å; F326-F331 HydrophobicContact CE1-CD2 4.1Å; F326-F331 AromaticContact CE1-CE1 3.91Å; F326-F331 HydrophobicContact CE1-CE1 3.91Å; F326-F331 AromaticContact CE1-CE2 3.59Å; F326-F331 HydrophobicContact CE1-CE2 3.59Å; F326-F331 HydrophobicContact CE1-CG 4.48Å; F326-F331 AromaticContact CE1-CZ 3.51Å; F326-F331 HydrophobicContact CE1-CZ 3.51Å; F326-F331 HydrophobicContact CZ-CE2 4.06Å; F326-F331 HydrophobicContact CZ-CZ 4.25Å; F331-P334 WeakPolarHBondContact O-CD 3.48Å; F331-V438 HydrophobicContact CE1-CG1 4.16Å; F331-V438 HydrophobicContact CZ-CG1 4.29Å; F331-V441 HydrophobicContact CE2-CG1 4.3Å; F331-V441 HydrophobicContact CZ-CB 4.3Å; F331-V441 HydrophobicContact CZ-CG1 3.7Å; F331-K442 HydrophobicContact CD1-CB 3.95Å; F331-K442 HydrophobicContact CD1-CD 4.41Å; F331-K442 HydrophobicContact CD1-CG 4.1Å; F331-K442 HydrophobicContact CE1-CB 3.7Å; F331-K442 HydrophobicContact CE1-CG 4.36Å; F331-L446 HydrophobicContact CB-CD1 4.23Å; F331-L446 HydrophobicContact CD1-CD1 3.89Å; F331-L446 HydrophobicContact CD2-CD1 3.54Å; F331-L446 HydrophobicContact CE1-CD1 4.09Å; F331-L446 HydrophobicContact CE2-CD1 3.76Å; F331-L446 HydrophobicContact CG-CD1 3.61Å; F331-L446 HydrophobicContact CZ-CD1 4Å; F331-E448 VanDerWaalsContact CA-OE2 3.31Å; F331-E448 WeakPolarHBondContact CA-OE2 3.4Å
332E96.3Very high94Very high52 Ų5245.9 Ų45.924%0.24322%0.216CC..SBendtrans-73.7150.2176.9-67-172-152.300111.8K259 E448K259-E332 PolarHBondContact NZ-O 3.39Å; E332-E448 HydrophobicContact CB-CG 4.17Å; E332-E448 WeakPolarHBondContact CB-OE1 3.27Å; E332-E448 HydrophobicContact CG-CB 4.3Å; E332-E448 HydrophobicContact CG-CG 4.1Å; E332-E448 PolarHBondContact N-OE1 3.15Å; E332-E448 VanDerWaalsContact N-OE1 3.11Å; E332-E448 PolarHBondContact N-OE2 3.48Å
333R93.3Very high93.5Very high191 Ų19145.3 Ų45.372%0.72121%0.212SC*.SBendtrans48.145.2174.3-52.6177.9-172.4-174.10.1115F335R333-F335 PolarHBondContact O-N 3.39Å
334P95.4Very high92.9Very high1 Ų147.9 Ų47.91%0.00623%0.234CC..  trans-62142.2177.728-35000110F331 R459 L460 L463F331-P334 WeakPolarHBondContact O-CD 3.48Å; P334-R459 HydrophobicContact CG-CG 4.44Å; P334-R459 PolarHBondContact O-NE 2.94Å; P334-R459 PolarHBondContact O-NH2 3.16Å; P334-L460 HydrophobicContact CB-CD2 4.47Å; P334-L460 HydrophobicContact CG-CD2 3.75Å; P334-L463 HydrophobicContact CB-CD1 4.5Å; P334-L463 HydrophobicContact CG-CD1 3.95Å
335F94.3Very high92.5Very high42 Ų4249.8 Ų49.818%0.18424%0.238CC..SBendtrans-69.2-43.6176173.4-117.1000110.4K259 F261 R333 Y364 M377K259-F335 WeakPolarHBondContact O-CB 3.46Å; K259-F335 PolarHBondContact O-N 3.17Å; F261-F335 HydrophobicContact CD1-CB 3.95Å; F261-F335 AromaticContact CD1-CD1 3.92Å; F261-F335 HydrophobicContact CD1-CD1 3.92Å; F261-F335 HydrophobicContact CD1-CG 4.17Å; F261-F335 HydrophobicContact CE1-CB 3.41Å; F261-F335 VanDerWaalsContact CE1-CB 3.41Å; F261-F335 AromaticContact CE1-CD1 4Å; F261-F335 HydrophobicContact CE1-CD1 4Å; F261-F335 AromaticContact CE1-CG 3.78Å; F261-F335 HydrophobicContact CE1-CG 3.78Å; F261-F335 HydrophobicContact CZ-CB 4.08Å; R333-F335 PolarHBondContact O-N 3.39Å; F335-Y364 AromaticContact CE2-CD2 3.78Å; F335-Y364 HydrophobicContact CE2-CD2 3.78Å; F335-Y364 HydrophobicContact CE2-CE2 4.1Å; F335-Y364 AromaticContact CE2-CG 3.99Å; F335-Y364 HydrophobicContact CE2-CG 3.99Å; F335-Y364 HydrophobicContact CZ-CD2 4.45Å; F335-Y364 HydrophobicContact CZ-CG 4.37Å; F335-M377 HydrophobicContact CD1-CE 4.24Å; F335-M377 HydrophobicContact CD2-CE 3.64Å; F335-M377 HydrophobicContact CE1-CE 4.17Å; F335-M377 HydrophobicContact CE2-CE 3.57Å; F335-M377 HydrophobicContact CG-CE 4Å; F335-M377 HydrophobicContact CZ-CE 3.84Å
336R93.7Very high92.1Very high47 Ų4753 Ų5318%0.17726%0.261CS..SBendtrans-141170.1173.1-72.2-178.6-69171.6-3.2109.6K259 G260 R263 S356K259-R336 PolarHBondContact O-N 3.31Å; G260-R336 PolarHBondContact O-NE 2.9Å; G260-R336 PolarHBondContact O-NH2 3.46Å; R263-R336 VanDerWaalsContact CD-NH1 3.34Å; R336-S356 PolarHBondContact NH1-O 2.82Å; R336-S356 PolarHBondContact NH2-O 3.18Å
337R93.9Very high91.8Very high80 Ų8060.3 Ų60.330%0.30229%0.293SS..  trans-57.2138.9173.7-66.2-169.771-156.3-3.1110.3R263 N339 L460 L463R263-R337 PolarHBondContact NH1-O 3.43Å; R337-N339 PolarHBondContact O-N 3.12Å; R337-L460 HydrophobicContact CG-CD2 4.43Å; R337-L463 HydrophobicContact CG-CB 3.91Å
338P94.7Very high91.7Very high23 Ų2356.2 Ų56.215%0.14928%0.277CS..  trans-52.7139.6169.7-24.332.8000111.1T257 L323 F326T257-P338 WeakPolarHBondContact O-CA 3.47Å; L323-P338 HydrophobicContact CD2-CB 4.19Å; F326-P338 HydrophobicContact CB-CB 4.22Å; F326-P338 HydrophobicContact CB-CG 3.99Å; F326-P338 HydrophobicContact CD2-CB 3.65Å; F326-P338 HydrophobicContact CD2-CG 4.09Å; F326-P338 HydrophobicContact CE2-CB 4.34Å; F326-P338 HydrophobicContact CG-CB 4.18Å; F326-P338 HydrophobicContact CG-CG 4.13Å
339N91.4Very high91.5Very high42 Ų4251.8 Ų51.823%0.22526%0.259CS..  trans-156.3149.8171.1-166.527.1000109.1R263 R337 N341R263-N339 WeakPolarHBondContact CA-O 3.44Å; R263-N339 HydrophobicContact CB-CB 4.49Å; R337-N339 PolarHBondContact O-N 3.12Å; N339-N341 PolarHBondContact ND2-OD1 2.89Å; N339-N341 VanDerWaalsContact ND2-OD1 3.09Å; N339-N341 PolarHBondContact OD1-OD1 3.27Å
340A83Confident91.5Very high19 Ų1956.8 Ų56.816%0.15728%0.282CS..  trans-14476.4179.500000110.9T257 L323T257-A340 HydrophobicContact CG2-CB 4.09Å; L323-A340 HydrophobicContact CD1-CB 4.01Å; L323-A340 HydrophobicContact CD2-CB 4.15Å; L323-A340 HydrophobicContact CG-CB 4.22Å
341N88.7Confident91.3Very high55 Ų5562.6 Ų62.629%0.29431%0.305SS..EExtended strand (participates in β ladder)trans-77.4125.6174.6-69.7-0.2000110.2R263 A264 I265 N339R263-N341 PolarHBondContact O-N 2.99Å; A264-N341 CarbonylContact C-O 3.36Å; A264-N341 WeakPolarHBondContact CA-O 3.46Å; A264-N341 HydrophobicContact CB-CB 4.12Å; I265-N341 PolarHBondContact N-O 3.03Å; N339-N341 PolarHBondContact ND2-OD1 2.89Å; N339-N341 VanDerWaalsContact ND2-OD1 3.09Å; N339-N341 PolarHBondContact OD1-OD1 3.27Å
342F89.3Confident91.1Very high56 Ų5666.1 Ų66.125%0.24632%0.318CS..EExtended strand (participates in β ladder)trans-82.8132.9168.2-65.1-77.3000109.8A267 P269 W315A267-F342 HydrophobicContact CB-CD1 3.63Å; A267-F342 HydrophobicContact CB-CE1 4.18Å; P269-F342 HydrophobicContact CB-CB 4.1Å; P269-F342 HydrophobicContact CB-CD2 4.27Å; P269-F342 HydrophobicContact CB-CG 4.08Å; P269-F342 HydrophobicContact CG-CB 4.46Å; W315-F342 HydrophobicContact CB-CE1 3.94Å; W315-F342 HydrophobicContact CB-CZ 4.06Å; W315-F342 VanDerWaalsContact O-CZ 3.25Å; W315-F342 WeakPolarHBondContact O-CZ 3.2Å
343T87.7Confident91Very high5 Ų565 Ų653%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-119.5126.317662.90000109.5A264 I265 K266 A267 T348 S349 W352A264-T343 HydrophobicContact CB-CG2 4.35Å; I265-T343 PolarHBondContact O-N 3.3Å; I265-T343 PolarHBondContact O-OG1 2.76Å; K266-T343 CarbonylContact C-O 3.59Å; K266-T343 VanDerWaalsContact CA-O 3.3Å; K266-T343 WeakPolarHBondContact CA-O 3.31Å; K266-T343 WeakPolarHBondContact CA-OG1 3.42Å; A267-T343 PolarHBondContact N-O 3.02Å; T343-T348 HydrophobicContact CG2-CG2 3.97Å; T343-S349 WeakPolarHBondContact OG1-CB 3.28Å; T343-W352 HydrophobicContact CG2-CG 4.43Å
344S82.9Confident91.1Very high96 Ų9658 Ų5867%0.67130%0.296SS*.  trans-88.5-35.6-178.152.80000112.7
345N87.1Confident90.9Very high78 Ų7861.2 Ų61.242%0.41732%0.316SS..SBendtrans-102.6152.7-177.270.649.5000113.2F347 T348 S349N345-F347 PolarHBondContact O-N 3.23Å; N345-T348 PolarHBondContact ND2-OG1 3.38Å; N345-T348 WeakPolarHBondContact OD1-CA 3.3Å; N345-T348 WeakPolarHBondContact OD1-CB 3.44Å; N345-T348 PolarHBondContact OD1-N 3.13Å; N345-T348 PolarHBondContact OD1-OG1 2.75Å; N345-S349 PolarHBondContact O-N 3.16Å; N345-S349 VanDerWaalsContact O-N 3.11Å
346S87.9Confident90.9Very high69 Ų6959.9 Ų59.948%0.48331%0.312SS..Hα-helixtrans-64.3-39.3-176.455.50000112.7S349 Q350S346-S349 PolarHBondContact O-N 2.74Å; S346-Q350 VanDerWaalsContact O-CG 3.32Å; S346-Q350 WeakPolarHBondContact O-CG 3.39Å; S346-Q350 PolarHBondContact O-N 2.82Å
347F91.5Very high90.9Very high155 Ų15557.6 Ų57.668%0.6830%0.303SS*.Hα-helixtrans-61.9-49.5-179.7-178.4-98000112.1N345 S349 Q350 Y351N345-F347 PolarHBondContact O-N 3.23Å; F347-S349 VanDerWaalsContact C-N 3.32Å; F347-S349 PolarHBondContact O-N 3.44Å; F347-Q350 PolarHBondContact O-N 2.88Å; F347-Y351 PolarHBondContact O-N 3.45Å
348T91.4Very high91Very high45 Ų4559.3 Ų59.328%0.27631%0.309SS..Hα-helixtrans-64.4-39.9177.9-55.60000110.5T343 N345 Y351 W352T343-T348 HydrophobicContact CG2-CG2 3.97Å; N345-T348 PolarHBondContact ND2-OG1 3.38Å; N345-T348 WeakPolarHBondContact OD1-CA 3.3Å; N345-T348 WeakPolarHBondContact OD1-CB 3.44Å; N345-T348 PolarHBondContact OD1-N 3.13Å; N345-T348 PolarHBondContact OD1-OG1 2.75Å; T348-Y351 PolarHBondContact O-N 2.76Å; T348-W352 VanDerWaalsContact CG2-CD1 3.47Å; T348-W352 PolarHBondContact O-N 3.32Å
349S91.3Very high91.1Very high8 Ų860.1 Ų60.16%0.05632%0.319CS..Hα-helixtrans-59.9-46.6173.5178.80000112.2T343 N345 S346 F347 Y351 W352 N353T343-S349 WeakPolarHBondContact OG1-CB 3.28Å; N345-S349 PolarHBondContact O-N 3.16Å; N345-S349 VanDerWaalsContact O-N 3.11Å; S346-S349 PolarHBondContact O-N 2.74Å; F347-S349 VanDerWaalsContact C-N 3.32Å; F347-S349 PolarHBondContact O-N 3.44Å; S349-Y351 PolarHBondContact O-N 3.39Å; S349-W352 PolarHBondContact O-N 3.37Å; S349-N353 VanDerWaalsContact O-CB 3.3Å; S349-N353 WeakPolarHBondContact O-CB 3.4Å; S349-N353 PolarHBondContact O-N 2.93Å; S349-N353 PolarHBondContact O-ND2 3.3Å; S349-N353 PolarHBondContact OG-ND2 3.36Å
350Q92.8Very high91.2Very high127 Ų12759.4 Ų59.459%0.59332%0.316SS*.Hα-helixtrans-62.9-43.2177.7-73.2179.233.800112S346 F347 N353 A354S346-Q350 VanDerWaalsContact O-CG 3.32Å; S346-Q350 WeakPolarHBondContact O-CG 3.39Å; S346-Q350 PolarHBondContact O-N 2.82Å; F347-Q350 PolarHBondContact O-N 2.88Å; Q350-N353 PolarHBondContact O-N 2.89Å; Q350-A354 WeakPolarHBondContact O-CB 3.49Å; Q350-A354 PolarHBondContact O-N 3.23Å
351Y94.2Very high91.9Very high123 Ų12358.6 Ų58.648%0.48231%0.309SS..Hα-helixtrans-56.9-52174.3171.5-95.1000111.5F347 T348 S349 N353 A354 V355F347-Y351 PolarHBondContact O-N 3.45Å; T348-Y351 PolarHBondContact O-N 2.76Å; S349-Y351 PolarHBondContact O-N 3.39Å; Y351-N353 PolarHBondContact O-N 3.36Å; Y351-A354 PolarHBondContact O-N 2.88Å; Y351-V355 HydrophobicContact CD2-CG2 4.16Å; Y351-V355 HydrophobicContact CE1-CG2 4.48Å; Y351-V355 HydrophobicContact CE2-CG2 3.78Å; Y351-V355 PolarHBondContact O-N 3.15Å
352W93.1Very high92.3Very high75 Ų7560.8 Ų60.828%0.28432%0.32SS..Hα-helixtrans-65.4-38.6179-74.1116.2000112A264 T343 T348 S349 A354 V355 S356 H357A264-W352 HydrophobicContact CB-CB 3.78Å; A264-W352 HydrophobicContact CB-CG 4.12Å; T343-W352 HydrophobicContact CG2-CG 4.43Å; T348-W352 VanDerWaalsContact CG2-CD1 3.47Å; T348-W352 PolarHBondContact O-N 3.32Å; S349-W352 PolarHBondContact O-N 3.37Å; W352-A354 VanDerWaalsContact C-N 3.29Å; W352-A354 PolarHBondContact O-N 3.23Å; W352-V355 PolarHBondContact O-N 3.2Å; W352-S356 VanDerWaalsContact CE3-OG 3.28Å; W352-S356 WeakPolarHBondContact O-CA 3.39Å; W352-S356 WeakPolarHBondContact O-CB 3.27Å; W352-S356 PolarHBondContact O-N 3.3Å; W352-H357 PolarHBondContact O-ND1 3.4Å
353N93.5Very high92.6Very high28 Ų2863.8 Ų63.815%0.1534%0.337CS..Iπ-helixtrans-61-37.7174.1-74.7-24.2000112S349 Q350 Y351 H357 R358 L385S349-N353 VanDerWaalsContact O-CB 3.3Å; S349-N353 WeakPolarHBondContact O-CB 3.4Å; S349-N353 PolarHBondContact O-N 2.93Å; S349-N353 PolarHBondContact O-ND2 3.3Å; S349-N353 PolarHBondContact OG-ND2 3.36Å; Q350-N353 PolarHBondContact O-N 2.89Å; Y351-N353 PolarHBondContact O-N 3.36Å; N353-H357 WeakPolarHBondContact O-CB 3.38Å; N353-H357 PolarHBondContact O-N 3.41Å; N353-R358 WeakPolarHBondContact O-CG 3.5Å; N353-R358 PolarHBondContact O-N 3.12Å; N353-L385 WeakPolarHBondContact OD1-CD2 3.5Å
354A94.4Very high93Very high43 Ų4366.4 Ų66.436%0.35535%0.347SS..Iπ-helixtrans-69.3-55.5175.400000111.7Q350 Y351 W352 A359Q350-A354 WeakPolarHBondContact O-CB 3.49Å; Q350-A354 PolarHBondContact O-N 3.23Å; Y351-A354 PolarHBondContact O-N 2.88Å; W352-A354 VanDerWaalsContact C-N 3.29Å; W352-A354 PolarHBondContact O-N 3.23Å; A354-A359 WeakPolarHBondContact O-CB 3.34Å; A354-A359 PolarHBondContact O-N 2.9Å
355V93Very high93.7Very high69 Ų6962.3 Ų62.342%0.41832%0.318SS..Iπ-helixtrans-81.6-40.7-169.6177.90000112.8Y351 W352 P360Y351-V355 HydrophobicContact CD2-CG2 4.16Å; Y351-V355 HydrophobicContact CE1-CG2 4.48Å; Y351-V355 HydrophobicContact CE2-CG2 3.78Å; Y351-V355 PolarHBondContact O-N 3.15Å; W352-V355 PolarHBondContact O-N 3.2Å; V355-P360 WeakPolarHBondContact O-CD 3.48Å; V355-P360 WeakPolarHBondContact O-CG 3.33Å
356S92.7Very high94.2Very high14 Ų1461.8 Ų61.810%0.09832%0.319CS..Iπ-helixtrans-90.8-20.4-176.5-83.20000114R336 W352R336-S356 PolarHBondContact NH1-O 2.82Å; R336-S356 PolarHBondContact NH2-O 3.18Å; W352-S356 VanDerWaalsContact CE3-OG 3.28Å; W352-S356 WeakPolarHBondContact O-CA 3.39Å; W352-S356 WeakPolarHBondContact O-CB 3.27Å; W352-S356 PolarHBondContact O-N 3.3Å
357H95.1Very high94.6Very high0 Ų064.2 Ų64.20%032%0.319CS..Iπ-helixtrans-118.6-61.1-175.5-55.789.7000112.7F261 R263 A264 W352 N353 A361 M381 L385F261-H357 PolarHBondContact O-CD2 3.09Å; F261-H357 VanDerWaalsContact O-CD2 3.3Å; R263-H357 PolarHBondContact N-NE2 2.88Å; A264-H357 PolarHBondContact O-CE1 2.79Å; W352-H357 PolarHBondContact O-ND1 3.4Å; N353-H357 WeakPolarHBondContact O-CB 3.38Å; N353-H357 PolarHBondContact O-N 3.41Å; H357-A361 WeakPolarHBondContact O-CB 3.38Å; H357-A361 PolarHBondContact O-N 3.01Å; H357-M381 HydrophobicContact CB-CE 4.35Å; H357-M381 HydrophobicContact CB-CG 3.79Å; H357-M381 HydrophobicContact CB-SD 3.62Å; H357-L385 HydrophobicContact CB-CD1 4.23Å; H357-L385 HydrophobicContact CB-CD2 4.39Å
358R96Very high94.9Very high115 Ų11557 Ų5743%0.43429%0.287SS..Iπ-helixtrans-70.6-51.9-173.7-67.4-175.5-174.6114.1-2.3113.5N353 A361 I362 L385N353-R358 WeakPolarHBondContact O-CG 3.5Å; N353-R358 PolarHBondContact O-N 3.12Å; R358-A361 WeakPolarHBondContact O-CB 3.31Å; R358-A361 PolarHBondContact O-N 3.21Å; R358-A361 VanDerWaalsContact O-N 3.11Å; R358-I362 WeakPolarHBondContact O-CG1 3.48Å; R358-I362 PolarHBondContact O-N 3.02Å; R358-L385 HydrophobicContact CG-CD1 4.29Å
359A95.6Very high95.2Very high41 Ų4163.1 Ų63.134%0.33931%0.305SS..Hα-helixtrans-59.9-46.6-177.500000112.8A354 A361 I362 I363A354-A359 WeakPolarHBondContact O-CB 3.34Å; A354-A359 PolarHBondContact O-N 2.9Å; A359-A361 VanDerWaalsContact C-N 3.26Å; A359-A361 PolarHBondContact O-N 2.99Å; A359-I362 PolarHBondContact O-N 3.22Å; A359-I363 VanDerWaalsContact O-CG1 3.3Å; A359-I363 WeakPolarHBondContact O-CG1 3.41Å; A359-I363 PolarHBondContact O-N 3.35Å
360P94.3Very high95.5Very high27 Ų2769.6 Ų69.618%0.17534%0.338CS..Hα-helixtrans-61.9-32.3175-25.636.6000113.4V355 Y364V355-P360 WeakPolarHBondContact O-CD 3.48Å; V355-P360 WeakPolarHBondContact O-CG 3.33Å; P360-Y364 VanDerWaalsContact O-CB 3.27Å; P360-Y364 WeakPolarHBondContact O-CB 3.5Å; P360-Y364 PolarHBondContact O-N 3.49Å
361A96.6Very high95.7Very high1 Ų166.4 Ų66.41%0.00833%0.328CS..Hα-helixtrans-67.7-43.6176.400000111.9H357 R358 A359 Y364 D365 M377 M381H357-A361 WeakPolarHBondContact O-CB 3.38Å; H357-A361 PolarHBondContact O-N 3.01Å; R358-A361 WeakPolarHBondContact O-CB 3.31Å; R358-A361 PolarHBondContact O-N 3.21Å; R358-A361 VanDerWaalsContact O-N 3.11Å; A359-A361 VanDerWaalsContact C-N 3.26Å; A359-A361 PolarHBondContact O-N 2.99Å; A361-Y364 PolarHBondContact O-N 2.87Å; A361-D365 WeakPolarHBondContact O-CB 3.41Å; A361-D365 PolarHBondContact O-N 3.01Å; A361-M377 HydrophobicContact CB-CB 4.2Å; A361-M377 HydrophobicContact CB-CG 3.65Å; A361-M381 HydrophobicContact CB-CB 4.03Å; A361-M381 HydrophobicContact CB-CG 4.43Å
362I97.4Very high95.7Very high102 Ų10264.2 Ų64.252%0.52334%0.342SS..Hα-helixtrans-64.4-47.3176.5-66.1166.4000110.8R358 A359 Y364 D365 C366R358-I362 WeakPolarHBondContact O-CG1 3.48Å; R358-I362 PolarHBondContact O-N 3.02Å; A359-I362 PolarHBondContact O-N 3.22Å; I362-Y364 VanDerWaalsContact C-N 3.3Å; I362-Y364 PolarHBondContact O-N 3.46Å; I362-D365 PolarHBondContact O-N 3.16Å; I362-C366 WeakPolarHBondContact O-CB 3.33Å; I362-C366 PolarHBondContact O-N 3.38Å
363I95.9Very high95.9Very high119 Ų11967.8 Ų67.861%0.6136%0.356SS*.Hα-helixtrans-58.4-44.7177.8-67.8165.7000110.3A359 C366 Y367A359-I363 VanDerWaalsContact O-CG1 3.3Å; A359-I363 WeakPolarHBondContact O-CG1 3.41Å; A359-I363 PolarHBondContact O-N 3.35Å; I363-C366 WeakPolarHBondContact O-CB 3.24Å; I363-C366 PolarHBondContact O-N 2.91Å; I363-Y367 PolarHBondContact O-N 3.4Å
364Y96.2Very high96.1Very high60 Ų6075.5 Ų75.524%0.23539%0.388CS..Hα-helixtrans-67.6-39.2178.9-172.1-101000112.6F335 P360 A361 I362 C366 Y367 L368 M377F335-Y364 AromaticContact CE2-CD2 3.78Å; F335-Y364 HydrophobicContact CE2-CD2 3.78Å; F335-Y364 HydrophobicContact CE2-CE2 4.1Å; F335-Y364 AromaticContact CE2-CG 3.99Å; F335-Y364 HydrophobicContact CE2-CG 3.99Å; F335-Y364 HydrophobicContact CZ-CD2 4.45Å; F335-Y364 HydrophobicContact CZ-CG 4.37Å; P360-Y364 VanDerWaalsContact O-CB 3.27Å; P360-Y364 WeakPolarHBondContact O-CB 3.5Å; P360-Y364 PolarHBondContact O-N 3.49Å; A361-Y364 PolarHBondContact O-N 2.87Å; I362-Y364 VanDerWaalsContact C-N 3.3Å; I362-Y364 PolarHBondContact O-N 3.46Å; Y364-C366 VanDerWaalsContact C-N 3.32Å; Y364-Y367 HydrophobicContact CD2-CD1 4.33Å; Y364-Y367 HydrophobicContact CE2-CD1 4.17Å; Y364-Y367 HydrophobicContact CE2-CE1 4.47Å; Y364-Y367 WeakPolarHBondContact O-CB 3.08Å; Y364-Y367 PolarHBondContact O-N 3.28Å; Y364-L368 HydrophobicContact CD1-CD1 3.85Å; Y364-L368 HydrophobicContact CD1-CG 4.07Å; Y364-L368 HydrophobicContact CE1-CD1 3.6Å; Y364-L368 HydrophobicContact CE1-CD2 4.04Å; Y364-L368 HydrophobicContact CE1-CG 3.83Å; Y364-L368 WeakPolarHBondContact O-CG 3.39Å; Y364-L368 PolarHBondContact O-N 2.68Å; Y364-M377 HydrophobicContact CD1-CB 3.81Å; Y364-M377 HydrophobicContact CD1-CE 3.72Å; Y364-M377 HydrophobicContact CD1-CG 4.21Å; Y364-M377 HydrophobicContact CE1-CE 3.83Å; Y364-M377 HydrophobicContact CG-CE 4.32Å
365D97.5Very high96.1Very high10 Ų1076.2 Ų76.25%0.05339%0.389CS..Hα-helixtrans-66.5-34174.8-81.3-16.7000112.3A361 I362 L368 R369 P375 R376 M377 T378A361-D365 WeakPolarHBondContact O-CB 3.41Å; A361-D365 PolarHBondContact O-N 3.01Å; I362-D365 PolarHBondContact O-N 3.16Å; D365-L368 PolarHBondContact O-N 3.09Å; D365-R369 WeakPolarHBondContact O-CG 3.35Å; D365-R369 PolarHBondContact O-N 3.09Å; D365-P375 HydrophobicContact CB-CB 3.69Å; D365-P375 WeakPolarHBondContact OD1-CA 3.32Å; D365-R376 PolarHBondContact OD1-N 3.42Å; D365-M377 WeakPolarHBondContact OD1-CB 3.26Å; D365-M377 PolarHBondContact OD1-N 2.85Å; D365-M377 PolarHBondContact OD2-N 3.4Å; D365-T378 WeakPolarHBondContact OD2-CB 3.32Å; D365-T378 PolarHBondContact OD2-N 3.46Å; D365-T378 PolarHBondContact OD2-OG1 3.12Å
366C97.8Very high96.3Very high67 Ų6780.8 Ų80.845%0.45340%0.399SS..Hα-helixtrans-60.6-49170.5-173.10000110.8I362 I363 Y364 L368 R369 L370I362-C366 WeakPolarHBondContact O-CB 3.33Å; I362-C366 PolarHBondContact O-N 3.38Å; I363-C366 WeakPolarHBondContact O-CB 3.24Å; I363-C366 PolarHBondContact O-N 2.91Å; Y364-C366 VanDerWaalsContact C-N 3.32Å; C366-L368 VanDerWaalsContact C-N 3.32Å; C366-L368 PolarHBondContact O-N 2.98Å; C366-R369 PolarHBondContact O-N 3.5Å; C366-R369 VanDerWaalsContact O-N 3.16Å; C366-L370 WeakPolarHBondContact O-CG 3.41Å; C366-L370 PolarHBondContact O-N 2.93Å
367Y96.8Very high96.5Very high119 Ų11980.5 Ų80.547%0.46740%0.396SS..Hα-helixtrans-57.4-41.7173.5165-97.5000112.8I363 Y364 L370 T371I363-Y367 PolarHBondContact O-N 3.4Å; Y364-Y367 HydrophobicContact CD2-CD1 4.33Å; Y364-Y367 HydrophobicContact CE2-CD1 4.17Å; Y364-Y367 HydrophobicContact CE2-CE1 4.47Å; Y364-Y367 WeakPolarHBondContact O-CB 3.08Å; Y364-Y367 PolarHBondContact O-N 3.28Å; Y367-L370 PolarHBondContact O-N 3.06Å; Y367-T371 HydrophobicContact CD2-CG2 4.18Å; Y367-T371 HydrophobicContact CE1-CG2 4.49Å; Y367-T371 HydrophobicContact CE2-CG2 3.68Å; Y367-T371 WeakPolarHBondContact O-CG2 3.49Å; Y367-T371 PolarHBondContact O-N 2.68Å; Y367-T371 PolarHBondContact O-OG1 3.49Å
368L97.4Very high96.5Very high4 Ų482.5 Ų82.52%0.02141%0.408CS..Hα-helixtrans-61.8-45.8175.9-71.2179000111.3Y364 D365 C366 L370 T371 G372 R373 R376Y364-L368 HydrophobicContact CD1-CD1 3.85Å; Y364-L368 HydrophobicContact CD1-CG 4.07Å; Y364-L368 HydrophobicContact CE1-CD1 3.6Å; Y364-L368 HydrophobicContact CE1-CD2 4.04Å; Y364-L368 HydrophobicContact CE1-CG 3.83Å; Y364-L368 WeakPolarHBondContact O-CG 3.39Å; Y364-L368 PolarHBondContact O-N 2.68Å; D365-L368 PolarHBondContact O-N 3.09Å; C366-L368 VanDerWaalsContact C-N 3.32Å; C366-L368 PolarHBondContact O-N 2.98Å; L368-L370 PolarHBondContact O-N 3.47Å; L368-T371 WeakPolarHBondContact CA-OG1 3.39Å; L368-T371 CarbonylContact O-C 3.47Å; L368-T371 PolarHBondContact O-N 3.34Å; L368-T371 VanDerWaalsContact O-N 3.12Å; L368-T371 PolarHBondContact O-OG1 3.34Å; L368-T371 VanDerWaalsContact O-OG1 3.05Å; L368-G372 PolarHBondContact O-N 3.35Å; L368-R373 CarbonylContact C-O 3.21Å; L368-R373 HydrophobicContact CB-CB 4.07Å; L368-R373 HydrophobicContact CD2-CB 3.89Å; L368-R373 WeakPolarHBondContact O-CA 3.3Å; L368-R373 WeakPolarHBondContact O-CB 3.29Å; L368-R373 PolarHBondContact O-N 3.13Å; L368-R373 VanDerWaalsContact O-O 3.05Å; L368-R376 HydrophobicContact CD1-CG 3.98Å
369R97.4Very high96.6Very high174 Ų17485.4 Ų85.466%0.65742%0.424SS*.Hα-helixtrans-59.5-46.2176.8-72.2175.4-177.9179.80.1111.9D365 C366 T371 G372 P375D365-R369 WeakPolarHBondContact O-CG 3.35Å; D365-R369 PolarHBondContact O-N 3.09Å; C366-R369 PolarHBondContact O-N 3.5Å; C366-R369 VanDerWaalsContact O-N 3.16Å; R369-T371 PolarHBondContact O-N 2.99Å; R369-G372 PolarHBondContact O-N 3.39Å; R369-G372 VanDerWaalsContact O-N 3.07Å; R369-P375 HydrophobicContact CG-CB 4.49Å; R369-P375 HydrophobicContact CG-CG 4.39Å
370L97Very high96.6Very high143 Ų14387.2 Ų87.275%0.74943%0.428SS*.Hα-helixtrans-62.9-24.5177.7-67.4173.8000113C366 Y367 L368C366-L370 WeakPolarHBondContact O-CG 3.41Å; C366-L370 PolarHBondContact O-N 2.93Å; Y367-L370 PolarHBondContact O-N 3.06Å; L368-L370 PolarHBondContact O-N 3.47Å
371T97Very high96.6Very high60 Ų6086 Ų8637%0.36842%0.42SS..THydrogen-bonded Turntrans-98.215.2176.654.80000113.5Y367 L368 R369 R373Y367-T371 HydrophobicContact CD2-CG2 4.18Å; Y367-T371 HydrophobicContact CE1-CG2 4.49Å; Y367-T371 HydrophobicContact CE2-CG2 3.68Å; Y367-T371 WeakPolarHBondContact O-CG2 3.49Å; Y367-T371 PolarHBondContact O-N 2.68Å; Y367-T371 PolarHBondContact O-OG1 3.49Å; L368-T371 WeakPolarHBondContact CA-OG1 3.39Å; L368-T371 CarbonylContact O-C 3.47Å; L368-T371 PolarHBondContact O-N 3.34Å; L368-T371 VanDerWaalsContact O-N 3.12Å; L368-T371 PolarHBondContact O-OG1 3.34Å; L368-T371 VanDerWaalsContact O-OG1 3.05Å; R369-T371 PolarHBondContact O-N 2.99Å; T371-R373 PolarHBondContact O-N 3.48Å
372G95.7Very high96.6Very high77 Ų7789.8 Ų89.879%0.79444%0.44SS*.THydrogen-bonded Turntrans71.414.1178.800000114.6L368 R369L368-G372 PolarHBondContact O-N 3.35Å; R369-G372 PolarHBondContact O-N 3.39Å; R369-G372 VanDerWaalsContact O-N 3.07Å
373R96.7Very high96.5Very high151 Ų15194 Ų9457%0.5745%0.449SS*.PPolyproline II helixtrans-101.2146.2-178.3-61178.1-175.1-173.61.7111L368 T371L368-R373 CarbonylContact C-O 3.21Å; L368-R373 HydrophobicContact CB-CB 4.07Å; L368-R373 HydrophobicContact CD2-CB 3.89Å; L368-R373 WeakPolarHBondContact O-CA 3.3Å; L368-R373 WeakPolarHBondContact O-CB 3.29Å; L368-R373 PolarHBondContact O-N 3.13Å; L368-R373 VanDerWaalsContact O-O 3.05Å; T371-R373 PolarHBondContact O-N 3.48Å
374K96.8Very high96.4Very high189 Ų18989.7 Ų89.782%0.82243%0.427SS*.PPolyproline II helixtrans-66.4131.3178.4-66.8-175.9178.5-1790111.3
375P96.3Very high96.3Very high59 Ų5987.9 Ų87.938%0.38342%0.421SS..PPolyproline II helixtrans-64.8140.8174.729.9-36.2000110.2D365 R369D365-P375 HydrophobicContact CB-CB 3.69Å; D365-P375 WeakPolarHBondContact OD1-CA 3.32Å; R369-P375 HydrophobicContact CG-CB 4.49Å; R369-P375 HydrophobicContact CG-CG 4.39Å
376R96.2Very high96.1Very high165 Ų16595.9 Ų95.962%0.62345%0.451SS*.  trans-148.4-20.4-175.362.8178.9-1781491.5114.4D365 L368 L380D365-R376 PolarHBondContact OD1-N 3.42Å; L368-R376 HydrophobicContact CD1-CG 3.98Å; R376-L380 WeakPolarHBondContact O-CB 3.4Å; R376-L380 PolarHBondContact O-N 3.27Å; R376-L380 VanDerWaalsContact O-N 3.09Å
377M96.1Very high95.8Very high7 Ų795.7 Ų95.73%0.03445%0.448CS..Hα-helixtrans-73.5-38-170.7-168.963.681.300111.8F261 F335 A361 Y364 D365 K379 L380 M381F261-M377 HydrophobicContact CD1-SD 4.16Å; F261-M377 HydrophobicContact CE1-CE 3.9Å; F261-M377 HydrophobicContact CE1-SD 3.92Å; F335-M377 HydrophobicContact CD1-CE 4.24Å; F335-M377 HydrophobicContact CD2-CE 3.64Å; F335-M377 HydrophobicContact CE1-CE 4.17Å; F335-M377 HydrophobicContact CE2-CE 3.57Å; F335-M377 HydrophobicContact CG-CE 4Å; F335-M377 HydrophobicContact CZ-CE 3.84Å; A361-M377 HydrophobicContact CB-CB 4.2Å; A361-M377 HydrophobicContact CB-CG 3.65Å; Y364-M377 HydrophobicContact CD1-CB 3.81Å; Y364-M377 HydrophobicContact CD1-CE 3.72Å; Y364-M377 HydrophobicContact CD1-CG 4.21Å; Y364-M377 HydrophobicContact CE1-CE 3.83Å; Y364-M377 HydrophobicContact CG-CE 4.32Å; D365-M377 WeakPolarHBondContact OD1-CB 3.26Å; D365-M377 PolarHBondContact OD1-N 2.85Å; D365-M377 PolarHBondContact OD2-N 3.4Å; M377-K379 PolarHBondContact O-N 3.24Å; M377-L380 PolarHBondContact O-N 3.32Å; M377-L380 HydrophobicContact SD-CD2 4Å; M377-M381 WeakPolarHBondContact O-CB 3.35Å; M377-M381 PolarHBondContact O-N 2.84Å
378T96.7Very high95.6Very high42 Ų4290.5 Ų90.526%0.25843%0.429SS..Hα-helixtrans-63.8-43.6177.4-54.10000111D365 M381 N382D365-T378 WeakPolarHBondContact OD2-CB 3.32Å; D365-T378 PolarHBondContact OD2-N 3.46Å; D365-T378 PolarHBondContact OD2-OG1 3.12Å; T378-M381 PolarHBondContact O-N 2.68Å; T378-N382 WeakPolarHBondContact O-CB 3.43Å; T378-N382 VanDerWaalsContact O-CG 3.25Å; T378-N382 PolarHBondContact O-N 2.75Å; T378-N382 PolarHBondContact O-ND2 2.59Å
379K96.4Very high95.4Very high177 Ų17793.1 Ų93.177%0.7745%0.447SS*.Hα-helixtrans-61.8-45.5175.4-174.9176.1-178.9175.10111.6M377 R383M377-K379 PolarHBondContact O-N 3.24Å; K379-R383 PolarHBondContact O-N 2.83Å; K379-R383 VanDerWaalsContact O-N 3.09Å
380L95.5Very high95.1Very high79 Ų7987.6 Ų87.641%0.41443%0.429SS..Hα-helixtrans-59.3-47.2175.717663.5000111.3F261 R376 M377 R383 L384F261-L380 HydrophobicContact CD1-CD2 4.35Å; F261-L380 HydrophobicContact CD2-CD2 4.49Å; F261-L380 HydrophobicContact CE1-CD2 4.12Å; F261-L380 HydrophobicContact CE2-CD2 4.25Å; F261-L380 HydrophobicContact CZ-CD2 4.07Å; R376-L380 WeakPolarHBondContact O-CB 3.4Å; R376-L380 PolarHBondContact O-N 3.27Å; R376-L380 VanDerWaalsContact O-N 3.09Å; M377-L380 PolarHBondContact O-N 3.32Å; M377-L380 HydrophobicContact SD-CD2 4Å; L380-R383 PolarHBondContact O-N 3.35Å; L380-L384 WeakPolarHBondContact O-CB 3.28Å; L380-L384 PolarHBondContact O-N 2.98Å
381M96Very high94.9Very high1 Ų182 Ų821%0.00540%0.4CS..Hα-helixtrans-67.1-41.7-177.3-164.260.470.200112.1F261 H357 A361 M377 T378 R383 L384 L385F261-M381 HydrophobicContact CB-CE 4.47Å; H357-M381 HydrophobicContact CB-CE 4.35Å; H357-M381 HydrophobicContact CB-CG 3.79Å; H357-M381 HydrophobicContact CB-SD 3.62Å; A361-M381 HydrophobicContact CB-CB 4.03Å; A361-M381 HydrophobicContact CB-CG 4.43Å; M377-M381 WeakPolarHBondContact O-CB 3.35Å; M377-M381 PolarHBondContact O-N 2.84Å; T378-M381 PolarHBondContact O-N 2.68Å; M381-R383 VanDerWaalsContact C-N 3.34Å; M381-R383 PolarHBondContact O-N 2.83Å; M381-L384 PolarHBondContact O-N 2.9Å; M381-L384 HydrophobicContact SD-CD2 3.99Å; M381-L385 HydrophobicContact CG-CD1 4.32Å; M381-L385 HydrophobicContact CG-CG 4.47Å; M381-L385 WeakPolarHBondContact O-CG 3.35Å; M381-L385 PolarHBondContact O-N 3.41Å
382N95.5Very high94.7Very high81 Ų8181.4 Ų81.443%0.43339%0.393SS..Hα-helixtrans-62.9-40.9176.1-72.8-13.6000111.8T378 R386T378-N382 WeakPolarHBondContact O-CB 3.43Å; T378-N382 VanDerWaalsContact O-CG 3.25Å; T378-N382 PolarHBondContact O-N 2.75Å; T378-N382 PolarHBondContact O-ND2 2.59Å; N382-R386 WeakPolarHBondContact O-CB 3.25Å; N382-R386 PolarHBondContact O-N 3.48Å
383R94.7Very high94.6Very high191 Ų19179.9 Ų79.972%0.72136%0.364SS*.Hα-helixtrans-62.8-46.9174.1-175.1179.3180178.31.6111.1K379 L380 M381 R386 T387K379-R383 PolarHBondContact O-N 2.83Å; K379-R383 VanDerWaalsContact O-N 3.09Å; L380-R383 PolarHBondContact O-N 3.35Å; M381-R383 VanDerWaalsContact C-N 3.34Å; M381-R383 PolarHBondContact O-N 2.83Å; R383-R386 PolarHBondContact O-N 3.14Å; R383-T387 PolarHBondContact O-N 3.15Å; R383-T387 PolarHBondContact O-OG1 2.93Å; R383-T387 VanDerWaalsContact O-OG1 3.12Å
384L94.4Very high94.5Very high28 Ų2873.5 Ų73.515%0.14734%0.34CS..Hα-helixtrans-59.2-49.5178.7175.563.2000111.9A256 F261 L262 L380 M381 R386 T387 V388A256-L384 HydrophobicContact CB-CD1 3.67Å; A256-L384 HydrophobicContact CB-CD2 4.13Å; F261-L384 HydrophobicContact CB-CD2 3.79Å; L262-L384 HydrophobicContact CB-CD2 4.11Å; L262-L384 HydrophobicContact CD1-CD2 4.45Å; L380-L384 WeakPolarHBondContact O-CB 3.28Å; L380-L384 PolarHBondContact O-N 2.98Å; M381-L384 PolarHBondContact O-N 2.9Å; M381-L384 HydrophobicContact SD-CD2 3.99Å; L384-R386 VanDerWaalsContact C-N 3.31Å; L384-R386 PolarHBondContact O-N 3.47Å; L384-T387 PolarHBondContact O-N 2.89Å; L384-V388 HydrophobicContact CD1-CG2 4.23Å; L384-V388 WeakPolarHBondContact O-CG2 3.42Å; L384-V388 PolarHBondContact O-N 3.47Å
385L94Very high94.4Very high21 Ų2165 Ų6511%0.1130%0.303CS..Hα-helixtrans-63.2-37.5179.5-69.3177.7000112N353 H357 R358 M381 V388 S389N353-L385 WeakPolarHBondContact OD1-CD2 3.5Å; H357-L385 HydrophobicContact CB-CD1 4.23Å; H357-L385 HydrophobicContact CB-CD2 4.39Å; R358-L385 HydrophobicContact CG-CD1 4.29Å; M381-L385 HydrophobicContact CG-CD1 4.32Å; M381-L385 HydrophobicContact CG-CG 4.47Å; M381-L385 WeakPolarHBondContact O-CG 3.35Å; M381-L385 PolarHBondContact O-N 3.41Å; L385-V388 PolarHBondContact O-N 3.04Å; L385-S389 WeakPolarHBondContact O-CB 3.47Å; L385-S389 PolarHBondContact O-N 3.04Å; L385-S389 PolarHBondContact O-OG 3.13Å
386R93.4Very high94.3Very high179 Ų17964 Ų6468%0.67530%0.295SS*.Hα-helixtrans-64.1-43.8172.7-175.8-176.1-64.5-142.2-2111.9N382 R383 L384 S389 M390N382-R386 WeakPolarHBondContact O-CB 3.25Å; N382-R386 PolarHBondContact O-N 3.48Å; R383-R386 PolarHBondContact O-N 3.14Å; L384-R386 VanDerWaalsContact C-N 3.31Å; L384-R386 PolarHBondContact O-N 3.47Å; R386-S389 PolarHBondContact O-N 3.48Å; R386-S389 PolarHBondContact O-OG 2.98Å; R386-M390 WeakPolarHBondContact O-CG 3.33Å; R386-M390 PolarHBondContact O-N 3.32Å
387T92.6Very high94.2Very high62 Ų6261.3 Ų61.338%0.3829%0.285SS..Hα-helixtrans-62.1-44.9176.2-59.90000111.2R383 L384 S389 M390 L391R383-T387 PolarHBondContact O-N 3.15Å; R383-T387 PolarHBondContact O-OG1 2.93Å; R383-T387 VanDerWaalsContact O-OG1 3.12Å; L384-T387 PolarHBondContact O-N 2.89Å; T387-S389 PolarHBondContact O-N 3.46Å; T387-M390 PolarHBondContact O-N 3.16Å; T387-L391 WeakPolarHBondContact O-CG 3.35Å; T387-L391 PolarHBondContact O-N 3.5Å
388V92.7Very high94.2Very high11 Ų1163.5 Ų63.57%0.06730%0.301CS..Hα-helixtrans-64-39.6177.6172.50000111.7L262 I265 L384 L385 M390 L391 E392L262-V388 HydrophobicContact CD1-CG2 3.94Å; L262-V388 HydrophobicContact CD2-CG2 3.93Å; I265-V388 HydrophobicContact CG2-CG1 3.95Å; L384-V388 HydrophobicContact CD1-CG2 4.23Å; L384-V388 WeakPolarHBondContact O-CG2 3.42Å; L384-V388 PolarHBondContact O-N 3.47Å; L385-V388 PolarHBondContact O-N 3.04Å; V388-M390 VanDerWaalsContact C-N 3.28Å; V388-M390 PolarHBondContact O-N 3Å; V388-L391 WeakPolarHBondContact O-CB 3.4Å; V388-L391 PolarHBondContact O-N 3.35Å; V388-E392 PolarHBondContact O-N 3.22Å
389S92.1Very high94.2Very high59 Ų5962.1 Ų62.141%0.41329%0.291SS..Hα-helixtrans-62.9-34.7178.3670000112.6L385 R386 T387 L391 E392L385-S389 WeakPolarHBondContact O-CB 3.47Å; L385-S389 PolarHBondContact O-N 3.04Å; L385-S389 PolarHBondContact O-OG 3.13Å; R386-S389 PolarHBondContact O-N 3.48Å; R386-S389 PolarHBondContact O-OG 2.98Å; T387-S389 PolarHBondContact O-N 3.46Å; S389-L391 PolarHBondContact O-N 3Å; S389-E392 WeakPolarHBondContact O-CB 3.25Å; S389-E392 PolarHBondContact O-N 2.95Å
390M91.9Very high94.3Very high57 Ų5759.3 Ų59.328%0.28128%0.28SS..Hα-helixtrans-67.5-22.2174.5-65.4-174.1-68.600113.1F117 D118 R386 T387 V388F117-M390 HydrophobicContact CB-CB 4.48Å; F117-M390 HydrophobicContact CB-SD 4.03Å; F117-M390 HydrophobicContact CD2-CB 4.13Å; D118-M390 HydrophobicContact CB-CE 4.42Å; D118-M390 HydrophobicContact CB-SD 4.01Å; R386-M390 WeakPolarHBondContact O-CG 3.33Å; R386-M390 PolarHBondContact O-N 3.32Å; T387-M390 PolarHBondContact O-N 3.16Å; V388-M390 VanDerWaalsContact C-N 3.28Å; V388-M390 PolarHBondContact O-N 3Å
391L92.9Very high94.3Very high27 Ų2755.5 Ų55.514%0.14126%0.261CS..Hα-helixtrans-88.3-12.6176.9-57.4177.8000112.7F117 I253 T387 V388 S389 Y393 F394 I395F117-L391 HydrophobicContact CD2-CD2 4.28Å; F117-L391 HydrophobicContact CE2-CD2 3.69Å; I253-L391 HydrophobicContact CD1-CD1 3.69Å; I253-L391 HydrophobicContact CG1-CD1 4.29Å; T387-L391 WeakPolarHBondContact O-CG 3.35Å; T387-L391 PolarHBondContact O-N 3.5Å; V388-L391 WeakPolarHBondContact O-CB 3.4Å; V388-L391 PolarHBondContact O-N 3.35Å; S389-L391 PolarHBondContact O-N 3Å; L391-Y393 PolarHBondContact O-N 3.46Å; L391-Y393 VanDerWaalsContact O-N 3.13Å; L391-F394 PolarHBondContact O-N 3.28Å; L391-I395 HydrophobicContact CB-CD1 3.65Å; L391-I395 HydrophobicContact CB-CG1 4.27Å; L391-I395 WeakPolarHBondContact O-CG1 3.39Å; L391-I395 PolarHBondContact O-N 3.27Å
392E92.4Very high94.3Very high46 Ų4655.7 Ų55.722%0.21526%0.262CS..Hα-helixtrans-55.7-35.2-175.7-79.1-174.2-16300112.2K266 V388 S389 F394 I395 N396K266-E392 IonicContact NZ-OE2 3.71Å; K266-E392 PolarHBondContact NZ-OE2 2.79Å; V388-E392 PolarHBondContact O-N 3.22Å; S389-E392 WeakPolarHBondContact O-CB 3.25Å; S389-E392 PolarHBondContact O-N 2.95Å; E392-F394 VanDerWaalsContact C-N 3.26Å; E392-F394 PolarHBondContact O-N 2.98Å; E392-I395 PolarHBondContact O-N 2.9Å; E392-N396 WeakPolarHBondContact O-CB 3.43Å; E392-N396 PolarHBondContact O-N 3.37Å; E392-N396 VanDerWaalsContact O-N 3.13Å; E392-N396 PolarHBondContact O-ND2 3.45Å
393Y93.7Very high94.3Very high46 Ų4652.4 Ų52.418%0.1825%0.245CC..Hα-helixtrans-58.1-41.5178.1-173.2-87.6000112.3C158 P201 L391 R397 W399C158-Y393 HydrophobicContact CB-CE1 4.26Å; C158-Y393 PolarHBondContact O-OH 3Å; C158-Y393 VanDerWaalsContact O-OH 3.04Å; P201-Y393 HydrophobicContact CB-CD1 3.63Å; P201-Y393 HydrophobicContact CB-CD2 3.5Å; P201-Y393 HydrophobicContact CB-CE1 3.96Å; P201-Y393 HydrophobicContact CB-CE2 3.85Å; P201-Y393 HydrophobicContact CB-CG 3.38Å; P201-Y393 HydrophobicContact CG-CD1 3.57Å; P201-Y393 HydrophobicContact CG-CD2 4.28Å; P201-Y393 HydrophobicContact CG-CE1 3.63Å; P201-Y393 HydrophobicContact CG-CE2 4.33Å; P201-Y393 HydrophobicContact CG-CG 3.9Å; L391-Y393 PolarHBondContact O-N 3.46Å; L391-Y393 VanDerWaalsContact O-N 3.13Å; Y393-R397 VanDerWaalsContact CD2-CZ 3.49Å; Y393-R397 PolarHBondContact O-NH1 3.23Å; Y393-R397 VanDerWaalsContact O-NH1 3.16Å; Y393-W399 HydrophobicContact CD1-CH2 4.32Å; Y393-W399 HydrophobicContact CD1-CZ2 4.19Å; Y393-W399 HydrophobicContact CE1-CH2 4.31Å; Y393-W399 AromaticContact CE1-CZ2 3.72Å; Y393-W399 HydrophobicContact CE1-CZ2 3.72Å
394F94.9Very high94.4Very high16 Ų1651.1 Ų51.17%0.0724%0.241CC..Hα-helixtrans-80.1-38.2-177.6-57.5-75.3000113.2F117 Y155 C158 P201 N202 T205 L391 E392 N396 W399F117-F394 HydrophobicContact CD2-CE2 4.39Å; F117-F394 AromaticContact CE2-CD2 3.97Å; F117-F394 HydrophobicContact CE2-CD2 3.97Å; F117-F394 AromaticContact CE2-CE2 3.49Å; F117-F394 HydrophobicContact CE2-CE2 3.49Å; F117-F394 VanDerWaalsContact CE2-CE2 3.49Å; F117-F394 HydrophobicContact CE2-CZ 4.45Å; F117-F394 HydrophobicContact CZ-CD2 4.36Å; F117-F394 AromaticContact CZ-CE2 3.73Å; F117-F394 HydrophobicContact CZ-CE2 3.73Å; F117-F394 HydrophobicContact CZ-CZ 4.3Å; Y155-F394 AromaticContact CD1-CD1 3.67Å; Y155-F394 HydrophobicContact CD1-CD1 3.67Å; Y155-F394 AromaticContact CD1-CE1 3.7Å; Y155-F394 HydrophobicContact CD1-CE1 3.7Å; Y155-F394 AromaticContact CE1-CD1 3.92Å; Y155-F394 HydrophobicContact CE1-CD1 3.92Å; Y155-F394 HydrophobicContact CE1-CE1 4.41Å; Y155-F394 HydrophobicContact CG-CD1 4.11Å; Y155-F394 AromaticContact CG-CE1 3.82Å; Y155-F394 HydrophobicContact CG-CE1 3.82Å; C158-F394 HydrophobicContact CB-CE1 4.48Å; P201-F394 HydrophobicContact CG-CE1 4.46Å; P201-F394 HydrophobicContact CG-CE2 4.47Å; P201-F394 HydrophobicContact CG-CZ 3.86Å; N202-F394 WeakPolarHBondContact ND2-CE2 3.35Å; N202-F394 WeakPolarHBondContact ND2-CZ 3.35Å; T205-F394 HydrophobicContact CG2-CE1 4.27Å; T205-F394 HydrophobicContact CG2-CZ 3.83Å; L391-F394 PolarHBondContact O-N 3.28Å; E392-F394 VanDerWaalsContact C-N 3.26Å; E392-F394 PolarHBondContact O-N 2.98Å; F394-N396 VanDerWaalsContact C-N 3.3Å; F394-N396 PolarHBondContact O-N 3.46Å; F394-W399 AromaticContact CD1-CH2 3.92Å; F394-W399 HydrophobicContact CD1-CH2 3.92Å; F394-W399 HydrophobicContact CD1-CZ3 4.47Å
395I93.4Very high94.6Very high10 Ų1051.5 Ų51.55%0.05124%0.243CC..Hα-helixtrans-76.4-21.7-176.9-55.7165.2000111.6I265 A267 W315 L391 E392I265-I395 HydrophobicContact CG2-CD1 4.31Å; A267-I395 HydrophobicContact CB-CB 4.41Å; A267-I395 HydrophobicContact CB-CG2 3.32Å; W315-I395 HydrophobicContact CD2-CG2 4.21Å; W315-I395 HydrophobicContact CG-CG2 4.12Å; W315-I395 HydrophobicContact CZ2-CG1 4.45Å; W315-I395 PolarHBondContact NE1-O 3.18Å; L391-I395 HydrophobicContact CB-CD1 3.65Å; L391-I395 HydrophobicContact CB-CG1 4.27Å; L391-I395 WeakPolarHBondContact O-CG1 3.39Å; L391-I395 PolarHBondContact O-N 3.27Å; E392-I395 PolarHBondContact O-N 2.9Å
396N94.2Very high94.7Very high39 Ų3950.7 Ų50.721%0.20924%0.239CC..THydrogen-bonded Turntrans-97.32.5-178-69.9-78.5000114.5K266 A267 T268 E392 F394K266-N396 PolarHBondContact O-ND2 3.32Å; A267-N396 WeakPolarHBondContact CA-OD1 3.45Å; A267-N396 PolarHBondContact N-OD1 3.21Å; T268-N396 PolarHBondContact N-OD1 3.35Å; T268-N396 PolarHBondContact OG1-O 2.91Å; T268-N396 PolarHBondContact OG1-OD1 2.85Å; E392-N396 WeakPolarHBondContact O-CB 3.43Å; E392-N396 PolarHBondContact O-N 3.37Å; E392-N396 VanDerWaalsContact O-N 3.13Å; E392-N396 PolarHBondContact O-ND2 3.45Å; F394-N396 VanDerWaalsContact C-N 3.3Å; F394-N396 PolarHBondContact O-N 3.46Å
397R95.2Very high94.9Very high109 Ų10946.2 Ų46.241%0.41123%0.226SC..  trans-130.9160.9-175.7-72.4-178.7-179.578.8-2.5111.6Y393 W399Y393-R397 VanDerWaalsContact CD2-CZ 3.49Å; Y393-R397 PolarHBondContact O-NH1 3.23Å; Y393-R397 VanDerWaalsContact O-NH1 3.16Å; R397-W399 HydrophobicContact CB-CE3 4.49Å; R397-W399 HydrophobicContact CB-CH2 3.46Å; R397-W399 VanDerWaalsContact CB-CH2 3.46Å; R397-W399 HydrophobicContact CB-CZ2 3.76Å; R397-W399 HydrophobicContact CB-CZ3 3.87Å; R397-W399 HydrophobicContact CG-CH2 4.49Å
398S96.3Very high95.1Very high53 Ų5345.7 Ų45.737%0.37122%0.22SC..  trans-133.1150.5170.3-56.60000107.7A271 V272A271-S398 WeakPolarHBondContact CA-OG 3.5Å; A271-S398 WeakPolarHBondContact CB-OG 3.4Å; V272-S398 PolarHBondContact N-OG 2.9Å
399W97.1Very high95.4Very high13 Ų1345.1 Ų45.15%0.04922%0.217CC..  trans-126.1156-177.1-69.5-89.4000109.3Y155 C158 L160 K161 I163 Y393 F394 R397 W401Y155-W399 HydrophobicContact CD1-CE3 4.42Å; Y155-W399 HydrophobicContact CD1-CH2 4.46Å; Y155-W399 HydrophobicContact CD1-CZ3 4.36Å; Y155-W399 HydrophobicContact CE1-CD2 4.31Å; Y155-W399 AromaticContact CE1-CE3 3.76Å; Y155-W399 HydrophobicContact CE1-CE3 3.76Å; Y155-W399 HydrophobicContact CE1-CH2 4.24Å; Y155-W399 AromaticContact CE1-CZ3 3.72Å; Y155-W399 HydrophobicContact CE1-CZ3 3.72Å; C158-W399 HydrophobicContact CB-CZ2 3.92Å; C158-W399 PolarHBondContact O-NE1 2.85Å; L160-W399 PolarHBondContact O-NE1 2.91Å; L160-W399 VanDerWaalsContact O-NE1 3.15Å; K161-W399 WeakPolarHBondContact O-CA 3.47Å; I163-W399 HydrophobicContact CD1-CG 4.27Å; Y393-W399 HydrophobicContact CD1-CH2 4.32Å; Y393-W399 HydrophobicContact CD1-CZ2 4.19Å; Y393-W399 HydrophobicContact CE1-CH2 4.31Å; Y393-W399 AromaticContact CE1-CZ2 3.72Å; Y393-W399 HydrophobicContact CE1-CZ2 3.72Å; F394-W399 AromaticContact CD1-CH2 3.92Å; F394-W399 HydrophobicContact CD1-CH2 3.92Å; F394-W399 HydrophobicContact CD1-CZ3 4.47Å; R397-W399 HydrophobicContact CB-CE3 4.49Å; R397-W399 HydrophobicContact CB-CH2 3.46Å; R397-W399 VanDerWaalsContact CB-CH2 3.46Å; R397-W399 HydrophobicContact CB-CZ2 3.76Å; R397-W399 HydrophobicContact CB-CZ3 3.87Å; R397-W399 HydrophobicContact CG-CH2 4.49Å; W399-W401 HydrophobicContact CB-CD2 4.13Å; W399-W401 HydrophobicContact CB-CE3 4.45Å; W399-W401 HydrophobicContact CB-CH2 3.68Å; W399-W401 HydrophobicContact CB-CZ2 3.3Å; W399-W401 HydrophobicContact CB-CZ3 4.23Å; W399-W401 HydrophobicContact CD2-CH2 4.21Å; W399-W401 HydrophobicContact CD2-CZ2 4.08Å; W399-W401 HydrophobicContact CE3-CZ2 4.2Å; W399-W401 AromaticContact CG-CH2 3.76Å; W399-W401 HydrophobicContact CG-CH2 3.76Å; W399-W401 AromaticContact CG-CZ2 3.73Å; W399-W401 HydrophobicContact CG-CZ2 3.73Å
400E96.9Very high95.6Very high117 Ų11743.4 Ų43.455%0.54720%0.202SC..EExtended strand (participates in β ladder)trans-106.9126.2170.4-67.3173-170.500108.4K161 H162 I163K161-E400 PolarHBondContact O-N 3.27Å; H162-E400 WeakPolarHBondContact CA-O 3.47Å; H162-E400 IonicContact ND1-OE2 3.09Å; H162-E400 PolarHBondContact ND1-OE2 3.34Å; I163-E400 PolarHBondContact N-O 2.83Å
401W96.1Very high95.8Very high0 Ų044.8 Ų44.80%022%0.218CC..EExtended strand (participates in β ladder)trans-113.8115.4-175-46.1104.2000111A154 Y155 I163 D274 T306 N309 W399 T403A154-W401 HydrophobicContact CB-CD2 4.48Å; A154-W401 HydrophobicContact CB-CE3 4.06Å; A154-W401 HydrophobicContact CB-CH2 3.78Å; A154-W401 HydrophobicContact CB-CZ2 4.19Å; A154-W401 HydrophobicContact CB-CZ3 3.7Å; A154-W401 WeakPolarHBondContact O-CH2 3.31Å; A154-W401 WeakPolarHBondContact O-CZ3 3.36Å; Y155-W401 HydrophobicContact CD1-CH2 4.02Å; Y155-W401 HydrophobicContact CD1-CZ2 4.37Å; Y155-W401 HydrophobicContact CE1-CH2 4.03Å; Y155-W401 AromaticContact CE1-CZ2 3.91Å; Y155-W401 HydrophobicContact CE1-CZ2 3.91Å; I163-W401 HydrophobicContact CB-CE3 3.88Å; I163-W401 HydrophobicContact CB-CZ3 3.92Å; I163-W401 HydrophobicContact CD1-CE3 4.01Å; I163-W401 HydrophobicContact CD1-CH2 3.8Å; I163-W401 HydrophobicContact CD1-CZ3 3.24Å; I163-W401 HydrophobicContact CG1-CZ3 4.13Å; I163-W401 HydrophobicContact CG2-CE3 4.29Å; I163-W401 HydrophobicContact CG2-CZ3 4.17Å; D274-W401 PolarHBondContact OD1-NE1 2.72Å; D274-W401 VanDerWaalsContact OD1-NE1 3.15Å; T306-W401 HydrophobicContact CG2-CB 4.29Å; T306-W401 HydrophobicContact CG2-CD2 3.92Å; T306-W401 HydrophobicContact CG2-CG 3.8Å; T306-W401 WeakPolarHBondContact OG1-CB 3.36Å; N309-W401 PolarHBondContact ND2-N 2.98Å; N309-W401 PolarHBondContact ND2-O 2.81Å; N309-W401 PolarHBondContact OD1-N 3.01Å; W399-W401 HydrophobicContact CB-CD2 4.13Å; W399-W401 HydrophobicContact CB-CE3 4.45Å; W399-W401 HydrophobicContact CB-CH2 3.68Å; W399-W401 HydrophobicContact CB-CZ2 3.3Å; W399-W401 HydrophobicContact CB-CZ3 4.23Å; W399-W401 HydrophobicContact CD2-CH2 4.21Å; W399-W401 HydrophobicContact CD2-CZ2 4.08Å; W399-W401 HydrophobicContact CE3-CZ2 4.2Å; W399-W401 AromaticContact CG-CH2 3.76Å; W399-W401 HydrophobicContact CG-CH2 3.76Å; W399-W401 AromaticContact CG-CZ2 3.73Å; W399-W401 HydrophobicContact CG-CZ2 3.73Å; W401-T403 PolarHBondContact O-N 2.84Å
402S96.2Very high96Very high5 Ų548.3 Ų48.34%0.03523%0.233CC..  trans-64.8137.4167.5-57.80000109.4H162 I163 D164 E165 H304H162-S402 PolarHBondContact NE2-OG 3.12Å; H162-S402 VanDerWaalsContact NE2-OG 3.17Å; I163-S402 PolarHBondContact O-N 3.45Å; D164-S402 WeakPolarHBondContact OD1-CB 3.41Å; D164-S402 PolarHBondContact OD1-OG 2.63Å; E165-S402 WeakPolarHBondContact CG-O 3.29Å; H304-S402 PolarHBondContact ND1-O 2.9Å
403T96.1Very high96.3Very high11 Ų1146.5 Ų46.57%0.06723%0.225CC..  trans-127.318.1-175.8480000113.1E165 H304 W401 N405 T406 E407E165-T403 VanDerWaalsContact OE2-C 3.28Å; H304-T403 HydrophobicContact CB-CG2 4.23Å; W401-T403 PolarHBondContact O-N 2.84Å; T403-N405 PolarHBondContact O-N 3.28Å; T403-T406 WeakPolarHBondContact O-CB 3.49Å; T403-T406 PolarHBondContact O-N 3.2Å; T403-T406 VanDerWaalsContact O-N 3.07Å; T403-E407 WeakPolarHBondContact O-CG 3.44Å; T403-E407 PolarHBondContact O-N 3.4Å; T403-E407 PolarHBondContact OG1-OE2 2.93Å
404Y96.5Very high96.5Very high165 Ų16546.3 Ų46.365%0.64723%0.23SC*.Hα-helixtrans-54.1-47.3-172.7-58.9-64.1000114.2E165 T406 E407 M408E165-Y404 PolarHBondContact OE2-N 3.05Å; Y404-T406 VanDerWaalsContact C-N 3.33Å; Y404-E407 PolarHBondContact O-N 3.09Å; Y404-M408 WeakPolarHBondContact O-CB 3.44Å; Y404-M408 PolarHBondContact O-N 2.91Å
405N97.9Very high96.6Very high35 Ų3550.8 Ų50.819%0.18726%0.261CS..Hα-helixtrans-68.2-35.3178.9-66.9-29.8000111.4E165 V302 Y303 T403 L409E165-N405 WeakPolarHBondContact OE2-CB 3.48Å; E165-N405 PolarHBondContact OE2-N 3.22Å; V302-N405 WeakPolarHBondContact O-CB 3.4Å; V302-N405 PolarHBondContact O-ND2 3.1Å; Y303-N405 HydrophobicContact CD1-CB 3.77Å; Y303-N405 HydrophobicContact CE1-CB 3.79Å; Y303-N405 WeakPolarHBondContact CE1-O 3.44Å; Y303-N405 HydrophobicContact CG-CB 4.46Å; T403-N405 PolarHBondContact O-N 3.28Å; N405-L409 VanDerWaalsContact O-CB 3.31Å; N405-L409 WeakPolarHBondContact O-CB 3.37Å; N405-L409 PolarHBondContact O-N 3.44Å
406T97.3Very high96.8Very high4 Ų453.5 Ų53.53%0.02527%0.274CS..Hα-helixtrans-70.2-41177.5-56.80000111.4E165 L284 H304 T403 Y404 M410 F423E165-T406 PolarHBondContact OE1-OG1 3Å; L284-T406 HydrophobicContact CD1-CG2 4.13Å; L284-T406 HydrophobicContact CD2-CG2 4.35Å; H304-T406 PolarHBondContact N-OG1 3.3Å; H304-T406 PolarHBondContact O-OG1 3.42Å; T403-T406 WeakPolarHBondContact O-CB 3.49Å; T403-T406 PolarHBondContact O-N 3.2Å; T403-T406 VanDerWaalsContact O-N 3.07Å; Y404-T406 VanDerWaalsContact C-N 3.33Å; T406-M410 PolarHBondContact O-N 2.98Å; T406-M410 VanDerWaalsContact O-N 3.08Å; T406-F423 HydrophobicContact CG2-CD2 4.09Å; T406-F423 HydrophobicContact CG2-CE2 3.96Å
407E96.6Very high97Very high85 Ų8551.8 Ų51.840%0.39726%0.264SS..Hα-helixtrans-69-41.6174.6-70.4177.2102.400112T403 Y404 M410 S411T403-E407 WeakPolarHBondContact O-CG 3.44Å; T403-E407 PolarHBondContact O-N 3.4Å; T403-E407 PolarHBondContact OG1-OE2 2.93Å; Y404-E407 PolarHBondContact O-N 3.09Å; E407-M410 PolarHBondContact O-N 2.97Å; E407-S411 PolarHBondContact O-N 3.47Å; E407-S411 VanDerWaalsContact O-N 3.07Å
408M97.3Very high97.1Very high51 Ų5150 Ų5025%0.25126%0.261SS..Hα-helixtrans-57.4-49.9172.2176.6-80.5-66.900110.6Y291 Y404 M410 S411 E412Y291-M408 HydrophobicContact CE1-CE 4.12Å; Y291-M408 HydrophobicContact CE2-SD 4.23Å; Y404-M408 WeakPolarHBondContact O-CB 3.44Å; Y404-M408 PolarHBondContact O-N 2.91Å; M408-M410 VanDerWaalsContact C-N 3.3Å; M408-M410 PolarHBondContact O-N 3.35Å; M408-S411 WeakPolarHBondContact O-CA 3.41Å; M408-S411 WeakPolarHBondContact O-CB 3.1Å; M408-S411 PolarHBondContact O-N 3.24Å; M408-S411 PolarHBondContact O-OG 3.13Å; M408-E412 PolarHBondContact O-N 3.07Å; M408-E412 VanDerWaalsContact O-N 3.14Å; M408-E412 HydrophobicContact SD-CG 3.88Å
409L98.3Very high97.1Very high0 Ų055.3 Ų55.30%027%0.272CS..Hα-helixtrans-59-43179.2177.559.7000111.6L284 A287 V288 Y291 Y303 N405 S411 E412 L413 F423L284-L409 HydrophobicContact CD1-CD2 3.7Å; A287-L409 HydrophobicContact CB-CD2 3.95Å; A287-L409 HydrophobicContact CB-CG 4.37Å; V288-L409 HydrophobicContact CB-CD2 4.37Å; V288-L409 HydrophobicContact CG2-CD2 3.47Å; V288-L409 VanDerWaalsContact CG2-CD2 3.47Å; Y291-L409 HydrophobicContact CD2-CD1 3.67Å; Y291-L409 HydrophobicContact CG-CD1 3.7Å; Y303-L409 HydrophobicContact CD1-CD2 4.29Å; Y303-L409 HydrophobicContact CE1-CB 4.07Å; Y303-L409 HydrophobicContact CE1-CD2 3.97Å; N405-L409 VanDerWaalsContact O-CB 3.31Å; N405-L409 WeakPolarHBondContact O-CB 3.37Å; N405-L409 PolarHBondContact O-N 3.44Å; L409-S411 VanDerWaalsContact C-N 3.25Å; L409-S411 PolarHBondContact O-N 2.76Å; L409-E412 PolarHBondContact O-N 3.32Å; L409-L413 HydrophobicContact CD1-CD2 4.37Å; L409-L413 WeakPolarHBondContact O-CG 3.48Å; L409-L413 PolarHBondContact O-N 3.24Å; L409-F423 HydrophobicContact CD2-CZ 4.28Å; L409-F423 HydrophobicContact CG-CZ 4.12Å
410M96.9Very high97.1Very high22 Ų2255.7 Ų55.711%0.10828%0.276CS..Hα-helixtrans-58.1-38.8175.4-177.663.576.800111.8T406 E407 M408 E412 L413 Q418 F423 D424T406-M410 PolarHBondContact O-N 2.98Å; T406-M410 VanDerWaalsContact O-N 3.08Å; E407-M410 PolarHBondContact O-N 2.97Å; M408-M410 VanDerWaalsContact C-N 3.3Å; M408-M410 PolarHBondContact O-N 3.35Å; M410-E412 VanDerWaalsContact C-N 3.33Å; M410-E412 PolarHBondContact O-N 3.49Å; M410-L413 PolarHBondContact O-N 3.27Å; M410-Q418 PolarHBondContact O-NE2 3.25Å; M410-Q418 HydrophobicContact SD-CB 4.36Å; M410-Q418 HydrophobicContact SD-CG 3.8Å; M410-F423 HydrophobicContact CB-CE2 3.87Å; M410-F423 HydrophobicContact CB-CZ 4.02Å; M410-F423 HydrophobicContact CE-CD1 4.15Å; M410-F423 HydrophobicContact CE-CD2 3.47Å; M410-F423 VanDerWaalsContact CE-CD2 3.47Å; M410-F423 HydrophobicContact CE-CE1 4.09Å; M410-F423 HydrophobicContact CE-CE2 3.42Å; M410-F423 VanDerWaalsContact CE-CE2 3.42Å; M410-F423 HydrophobicContact CE-CG 3.83Å; M410-F423 HydrophobicContact CE-CZ 3.74Å; M410-F423 HydrophobicContact SD-CE2 4.36Å; M410-F423 HydrophobicContact SD-CZ 4.24Å; M410-D424 HydrophobicContact CE-CB 3.81Å
411S97Very high97.2Very high87 Ų8750.1 Ų50.161%0.60825%0.25SS*.Hα-helixtrans-70.1-25.5179.274.60000114.4E407 M408 L409 L413E407-S411 PolarHBondContact O-N 3.47Å; E407-S411 VanDerWaalsContact O-N 3.07Å; M408-S411 WeakPolarHBondContact O-CA 3.41Å; M408-S411 WeakPolarHBondContact O-CB 3.1Å; M408-S411 PolarHBondContact O-N 3.24Å; M408-S411 PolarHBondContact O-OG 3.13Å; L409-S411 VanDerWaalsContact C-N 3.25Å; L409-S411 PolarHBondContact O-N 2.76Å; S411-L413 VanDerWaalsContact C-N 3.33Å
412E96.6Very high97.3Very high101 Ų10151 Ų5147%0.47226%0.255SS..Hα-helixtrans-81-11.6176.5-67.8-67151.800113.2Y291 M408 L409 M410Y291-E412 HydrophobicContact CE2-CB 4.45Å; Y291-E412 HydrophobicContact CE2-CG 4.16Å; M408-E412 PolarHBondContact O-N 3.07Å; M408-E412 VanDerWaalsContact O-N 3.14Å; M408-E412 HydrophobicContact SD-CG 3.88Å; L409-E412 PolarHBondContact O-N 3.32Å; M410-E412 VanDerWaalsContact C-N 3.33Å; M410-E412 PolarHBondContact O-N 3.49Å
413L97.8Very high97.3Very high8 Ų850.9 Ų50.94%0.04225%0.254CS..SBendtrans-81139.8-179.1-62.3-167.7000112.2I4 A287 W290 L409 M410 S411 D417 Q418 F423I4-L413 HydrophobicContact CD1-CD1 4.25Å; I4-L413 HydrophobicContact CD1-CD2 3.8Å; A287-L413 HydrophobicContact CB-CD1 4.29Å; W290-L413 HydrophobicContact CE3-CD2 4.11Å; W290-L413 HydrophobicContact CH2-CD2 4.43Å; W290-L413 HydrophobicContact CZ3-CD2 3.64Å; L409-L413 HydrophobicContact CD1-CD2 4.37Å; L409-L413 WeakPolarHBondContact O-CG 3.48Å; L409-L413 PolarHBondContact O-N 3.24Å; M410-L413 PolarHBondContact O-N 3.27Å; S411-L413 VanDerWaalsContact C-N 3.33Å; L413-D417 HydrophobicContact CB-CB 4.08Å; L413-D417 HydrophobicContact CD1-CB 4.49Å; L413-D417 HydrophobicContact CD2-CB 4.47Å; L413-Q418 HydrophobicContact CB-CG 3.6Å; L413-Q418 HydrophobicContact CD1-CG 4.49Å; L413-Q418 PolarHBondContact O-NE2 3.35Å; L413-F423 HydrophobicContact CD1-CE1 3.76Å; L413-F423 HydrophobicContact CD1-CZ 4.12Å
414S97.6Very high97.4Very high41 Ų4151.4 Ų51.429%0.28726%0.256SS..  trans-62155.5168.477.20000111.1E416 D417 Q418S414-E416 PolarHBondContact O-N 3.38Å; S414-E416 VanDerWaalsContact O-N 3.12Å; S414-D417 PolarHBondContact O-N 2.95Å; S414-D417 WeakPolarHBondContact OG-CB 3.37Å; S414-D417 VanDerWaalsContact OG-CG 3.31Å; S414-D417 PolarHBondContact OG-N 3.22Å; S414-D417 VanDerWaalsContact OG-N 3.12Å; S414-D417 PolarHBondContact OG-OD2 3.32Å; S414-Q418 WeakPolarHBondContact O-CG 3.2Å; S414-Q418 PolarHBondContact O-N 3.19Å
415P97.4Very high97.3Very high110 Ų11043.5 Ų43.571%0.71423%0.225SC*.Hα-helixtrans-55.1-33.5176.8-2835.5000113.8R419P415-R419 WeakPolarHBondContact O-CB 3.38Å; P415-R419 PolarHBondContact O-N 3.05Å; P415-R419 VanDerWaalsContact O-N 3.1Å
416E97.9Very high97.2Very high68 Ų6848.1 Ų48.132%0.31824%0.24SC..Hα-helixtrans-72.5-39.3176.1179.459.5-17400111.9S414 R419 V420S414-E416 PolarHBondContact O-N 3.38Å; S414-E416 VanDerWaalsContact O-N 3.12Å; E416-R419 PolarHBondContact O-N 2.67Å; E416-R419 IonicContact OE1-CZ 3.65Å; E416-R419 IonicContact OE1-NE 3.79Å; E416-R419 IonicContact OE1-NH2 3.88Å; E416-R419 PolarHBondContact OE1-NH2 3.48Å; E416-R419 IonicContact OE2-CZ 3.5Å; E416-R419 IonicContact OE2-NE 2.87Å; E416-R419 PolarHBondContact OE2-NE 3.43Å; E416-R419 IonicContact OE2-NH2 2.81Å; E416-R419 PolarHBondContact OE2-NH2 3.28Å; E416-V420 HydrophobicContact CG-CG2 4.49Å; E416-V420 VanDerWaalsContact O-CG2 3.32Å; E416-V420 WeakPolarHBondContact O-CG2 3.37Å; E416-V420 PolarHBondContact O-N 2.91Å; E416-V420 WeakPolarHBondContact OE1-CG2 3.17Å
417D98.4Very high97.2Very high2 Ų253.4 Ų53.41%0.01126%0.264CS..Hα-helixtrans-66.8-40174.1-72.1-52.4000111.6S2 T3 I4 L413 S414 R419 V420 F421S2-D417 WeakPolarHBondContact CA-OD1 3.18Å; S2-D417 VanDerWaalsContact CB-OD1 3.25Å; S2-D417 WeakPolarHBondContact CB-OD1 3.33Å; S2-D417 PolarHBondContact OG-OD1 3.5Å; T3-D417 WeakPolarHBondContact CB-OD2 3.15Å; T3-D417 PolarHBondContact N-OD1 2.91Å; T3-D417 PolarHBondContact N-OD2 2.97Å; T3-D417 PolarHBondContact OG1-OD2 2.94Å; I4-D417 HydrophobicContact CD1-CB 4.05Å; I4-D417 HydrophobicContact CG1-CB 4.48Å; I4-D417 PolarHBondContact N-OD1 3.16Å; I4-D417 VanDerWaalsContact N-OD1 3.11Å; L413-D417 HydrophobicContact CB-CB 4.08Å; L413-D417 HydrophobicContact CD1-CB 4.49Å; L413-D417 HydrophobicContact CD2-CB 4.47Å; S414-D417 PolarHBondContact O-N 2.95Å; S414-D417 WeakPolarHBondContact OG-CB 3.37Å; S414-D417 VanDerWaalsContact OG-CG 3.31Å; S414-D417 PolarHBondContact OG-N 3.22Å; S414-D417 VanDerWaalsContact OG-N 3.12Å; S414-D417 PolarHBondContact OG-OD2 3.32Å; D417-R419 VanDerWaalsContact C-N 3.26Å; D417-R419 PolarHBondContact O-N 3.44Å; D417-V420 PolarHBondContact O-N 3.12Å; D417-F421 WeakPolarHBondContact O-CA 3.39Å; D417-F421 WeakPolarHBondContact O-CB 3.49Å; D417-F421 PolarHBondContact O-N 3.2Å
418Q97.5Very high97.2Very high73 Ų7349.6 Ų49.634%0.34125%0.247SC..Hα-helixtrans-61.1-35.9173.2-68.2-176.63.100112M410 L413 S414 N422M410-Q418 PolarHBondContact O-NE2 3.25Å; M410-Q418 HydrophobicContact SD-CB 4.36Å; M410-Q418 HydrophobicContact SD-CG 3.8Å; L413-Q418 HydrophobicContact CB-CG 3.6Å; L413-Q418 HydrophobicContact CD1-CG 4.49Å; L413-Q418 PolarHBondContact O-NE2 3.35Å; S414-Q418 WeakPolarHBondContact O-CG 3.2Å; S414-Q418 PolarHBondContact O-N 3.19Å; Q418-N422 WeakPolarHBondContact O-CA 3.07Å; Q418-N422 VanDerWaalsContact O-CB 3.22Å; Q418-N422 WeakPolarHBondContact O-CB 3.46Å; Q418-N422 PolarHBondContact O-N 3.38Å
419R96.9Very high97.2Very high163 Ų16351.2 Ų51.262%0.61526%0.256SS*.Hα-helixtrans-72.3-45.5177-170.1-170.269.375.4-0112.1P415 E416 D417P415-R419 WeakPolarHBondContact O-CB 3.38Å; P415-R419 PolarHBondContact O-N 3.05Å; P415-R419 VanDerWaalsContact O-N 3.1Å; E416-R419 PolarHBondContact O-N 2.67Å; E416-R419 IonicContact OE1-CZ 3.65Å; E416-R419 IonicContact OE1-NE 3.79Å; E416-R419 IonicContact OE1-NH2 3.88Å; E416-R419 PolarHBondContact OE1-NH2 3.48Å; E416-R419 IonicContact OE2-CZ 3.5Å; E416-R419 IonicContact OE2-NE 2.87Å; E416-R419 PolarHBondContact OE2-NE 3.43Å; E416-R419 IonicContact OE2-NH2 2.81Å; E416-R419 PolarHBondContact OE2-NH2 3.28Å; D417-R419 VanDerWaalsContact C-N 3.26Å; D417-R419 PolarHBondContact O-N 3.44Å
420V97.3Very high97.2Very high22 Ų2251.7 Ų51.713%0.13326%0.258CS..Hα-helixtrans-78.4-37.2-175.61770000111.8K29 T33 E416 D417K29-V420 PolarHBondContact NZ-O 2.72Å; T33-V420 HydrophobicContact CG2-CG1 4.01Å; E416-V420 HydrophobicContact CG-CG2 4.49Å; E416-V420 VanDerWaalsContact O-CG2 3.32Å; E416-V420 WeakPolarHBondContact O-CG2 3.37Å; E416-V420 PolarHBondContact O-N 2.91Å; E416-V420 WeakPolarHBondContact OE1-CG2 3.17Å; D417-V420 PolarHBondContact O-N 3.12Å
421F98Very high97.2Very high0 Ų054.3 Ų54.30%027%0.272CS..THydrogen-bonded Turntrans-115.647.9-178.7-60.2-82.2000110.6S2 I4 A5 K29 T33 N283 L286 D417 F423S2-F421 VanDerWaalsContact OG-CE2 3.28Å; S2-F421 WeakPolarHBondContact OG-CE2 3.49Å; I4-F421 HydrophobicContact CB-CD2 3.77Å; I4-F421 HydrophobicContact CB-CE2 3.55Å; I4-F421 HydrophobicContact CB-CG 4.5Å; I4-F421 HydrophobicContact CB-CZ 4.11Å; I4-F421 HydrophobicContact CD1-CB 4.21Å; I4-F421 HydrophobicContact CD1-CD2 3.8Å; I4-F421 HydrophobicContact CD1-CE2 4.48Å; I4-F421 HydrophobicContact CD1-CG 4.08Å; I4-F421 HydrophobicContact CG1-CD2 4.36Å; I4-F421 HydrophobicContact CG2-CD1 4.27Å; I4-F421 HydrophobicContact CG2-CD2 3.9Å; I4-F421 HydrophobicContact CG2-CE1 4.01Å; I4-F421 HydrophobicContact CG2-CE2 3.61Å; I4-F421 HydrophobicContact CG2-CG 4.22Å; I4-F421 HydrophobicContact CG2-CZ 3.66Å; A5-F421 HydrophobicContact CB-CE2 4.21Å; A5-F421 HydrophobicContact CB-CZ 4.23Å; K29-F421 HydrophobicContact CG-CE1 4.49Å; T33-F421 HydrophobicContact CG2-CE1 4.34Å; T33-F421 HydrophobicContact CG2-CZ 4.17Å; N283-F421 HydrophobicContact CB-CB 4.27Å; L286-F421 HydrophobicContact CB-CD1 3.98Å; L286-F421 HydrophobicContact CB-CE1 3.98Å; L286-F421 HydrophobicContact CD1-CD1 4.06Å; L286-F421 HydrophobicContact CD1-CE1 3.57Å; L286-F421 HydrophobicContact CG-CE1 4.42Å; D417-F421 WeakPolarHBondContact O-CA 3.39Å; D417-F421 WeakPolarHBondContact O-CB 3.49Å; D417-F421 PolarHBondContact O-N 3.2Å; F421-F423 WeakPolarHBondContact O-CD1 3.46Å; F421-F423 PolarHBondContact O-N 3.19Å
422N97.5Very high97.2Very high18 Ų1855.5 Ų55.510%0.09627%0.268CS..  trans-65.3120.4-179.6-171.78.8000111.7N283 Q418 D424 Q427N283-N422 WeakPolarHBondContact CB-O 3.38Å; N283-N422 PolarHBondContact ND2-N 3.34Å; N283-N422 PolarHBondContact ND2-O 3.3Å; Q418-N422 WeakPolarHBondContact O-CA 3.07Å; Q418-N422 VanDerWaalsContact O-CB 3.22Å; Q418-N422 WeakPolarHBondContact O-CB 3.46Å; Q418-N422 PolarHBondContact O-N 3.38Å; N422-D424 WeakPolarHBondContact OD1-CB 3.48Å; N422-D424 PolarHBondContact OD1-N 2.88Å; N422-Q427 PolarHBondContact ND2-OE1 3.32Å; N422-Q427 VanDerWaalsContact ND2-OE1 3.13Å
423F97.4Very high97.2Very high3 Ų350.8 Ų50.81%0.01325%0.246CC..  trans-122.316.5169.353.8-97.1000112.7T280 N283 L284 A287 I305 T406 L409 M410 L413 F421 V425T280-F423 WeakPolarHBondContact O-CB 3.42Å; N283-F423 HydrophobicContact CB-CB 4.39Å; L284-F423 HydrophobicContact CB-CB 4.08Å; L284-F423 HydrophobicContact CB-CD1 4.1Å; L284-F423 HydrophobicContact CB-CD2 4.48Å; L284-F423 HydrophobicContact CB-CG 3.98Å; L284-F423 HydrophobicContact CD1-CD1 4.15Å; L284-F423 HydrophobicContact CD1-CD2 3.89Å; L284-F423 HydrophobicContact CD1-CE1 4.05Å; L284-F423 HydrophobicContact CD1-CE2 3.76Å; L284-F423 HydrophobicContact CD1-CG 4.1Å; L284-F423 HydrophobicContact CD1-CZ 3.87Å; A287-F423 HydrophobicContact CB-CD1 4.48Å; A287-F423 HydrophobicContact CB-CE1 3.74Å; I305-F423 HydrophobicContact CD1-CB 4.2Å; T406-F423 HydrophobicContact CG2-CD2 4.09Å; T406-F423 HydrophobicContact CG2-CE2 3.96Å; L409-F423 HydrophobicContact CD2-CZ 4.28Å; L409-F423 HydrophobicContact CG-CZ 4.12Å; M410-F423 HydrophobicContact CB-CE2 3.87Å; M410-F423 HydrophobicContact CB-CZ 4.02Å; M410-F423 HydrophobicContact CE-CD1 4.15Å; M410-F423 HydrophobicContact CE-CD2 3.47Å; M410-F423 VanDerWaalsContact CE-CD2 3.47Å; M410-F423 HydrophobicContact CE-CE1 4.09Å; M410-F423 HydrophobicContact CE-CE2 3.42Å; M410-F423 VanDerWaalsContact CE-CE2 3.42Å; M410-F423 HydrophobicContact CE-CG 3.83Å; M410-F423 HydrophobicContact CE-CZ 3.74Å; M410-F423 HydrophobicContact SD-CE2 4.36Å; M410-F423 HydrophobicContact SD-CZ 4.24Å; L413-F423 HydrophobicContact CD1-CE1 3.76Å; L413-F423 HydrophobicContact CD1-CZ 4.12Å; F421-F423 WeakPolarHBondContact O-CD1 3.46Å; F421-F423 PolarHBondContact O-N 3.19Å; F423-V425 PolarHBondContact O-N 3.05Å
424D96.6Very high97.2Very high21 Ų2150.9 Ų50.911%0.11225%0.246CC..  trans-80.799.8174-173.7-3.6000111.4M410 N422 R426M410-D424 HydrophobicContact CE-CB 3.81Å; N422-D424 WeakPolarHBondContact OD1-CB 3.48Å; N422-D424 PolarHBondContact OD1-N 2.88Å; D424-R426 VanDerWaalsContact C-N 3.27Å; D424-R426 VanDerWaalsContact CG-NH2 3.32Å; D424-R426 PolarHBondContact O-N 3.42Å; D424-R426 WeakPolarHBondContact OD1-CB 3.48Å; D424-R426 WeakPolarHBondContact OD1-CG 3.44Å; D424-R426 IonicContact OD1-CZ 2.73Å; D424-R426 PolarHBondContact OD1-N 2.84Å; D424-R426 IonicContact OD1-NE 3.45Å; D424-R426 PolarHBondContact OD1-NE 3.45Å; D424-R426 IonicContact OD1-NH2 2.59Å; D424-R426 IonicContact OD2-CZ 3.4Å; D424-R426 IonicContact OD2-NE 3.8Å; D424-R426 PolarHBondContact OD2-NE 2.91Å; D424-R426 IonicContact OD2-NH2 2.84Å; D424-R426 PolarHBondContact OD2-NH2 3.33Å
425V96Very high97.2Very high0 Ų051.4 Ų51.40%024%0.244CC..G310 helixtrans-78.6-3.7-179.3-59.80000114.6I276 T280 M310 N311 F423 Q427 L428I276-V425 HydrophobicContact CD1-CG1 3.49Å; I276-V425 VanDerWaalsContact CD1-CG1 3.49Å; T280-V425 HydrophobicContact CG2-CG1 4.16Å; M310-V425 HydrophobicContact CB-CG2 3.87Å; M310-V425 HydrophobicContact CE-CG2 3.71Å; M310-V425 HydrophobicContact SD-CG2 4.3Å; N311-V425 WeakPolarHBondContact CB-O 3.33Å; N311-V425 PolarHBondContact ND2-O 3.28Å; F423-V425 PolarHBondContact O-N 3.05Å; V425-Q427 PolarHBondContact O-N 2.87Å; V425-L428 WeakPolarHBondContact O-CB 3.38Å; V425-L428 PolarHBondContact O-N 3.27Å; V425-L428 VanDerWaalsContact O-N 3.09Å
426R96.3Very high97.2Very high132 Ų13248 Ų4850%0.49822%0.22SC..G310 helixtrans-62.2-26.8173-65.3170.7-68.6-158.93.1112M310 D424 L428M310-R426 HydrophobicContact CB-CG 4.09Å; M310-R426 WeakPolarHBondContact O-CG 3.44Å; D424-R426 VanDerWaalsContact C-N 3.27Å; D424-R426 VanDerWaalsContact CG-NH2 3.32Å; D424-R426 PolarHBondContact O-N 3.42Å; D424-R426 WeakPolarHBondContact OD1-CB 3.48Å; D424-R426 WeakPolarHBondContact OD1-CG 3.44Å; D424-R426 IonicContact OD1-CZ 2.73Å; D424-R426 PolarHBondContact OD1-N 2.84Å; D424-R426 IonicContact OD1-NE 3.45Å; D424-R426 PolarHBondContact OD1-NE 3.45Å; D424-R426 IonicContact OD1-NH2 2.59Å; D424-R426 IonicContact OD2-CZ 3.4Å; D424-R426 IonicContact OD2-NE 3.8Å; D424-R426 PolarHBondContact OD2-NE 2.91Å; D424-R426 IonicContact OD2-NH2 2.84Å; D424-R426 PolarHBondContact OD2-NH2 3.33Å; R426-L428 VanDerWaalsContact C-N 3.28Å; R426-L428 PolarHBondContact O-N 2.94Å
427Q95.5Very high97.2Very high114 Ų11444.9 Ų44.953%0.53321%0.206SC..G310 helixtrans-77.5-11.1178.1-62172.926.800113.2W236 N422 V425 N429W236-Q427 HydrophobicContact CH2-CB 3.75Å; W236-Q427 HydrophobicContact CZ2-CB 4.46Å; N422-Q427 PolarHBondContact ND2-OE1 3.32Å; N422-Q427 VanDerWaalsContact ND2-OE1 3.13Å; V425-Q427 PolarHBondContact O-N 2.87Å; Q427-N429 PolarHBondContact O-N 2.84Å
428L97.1Very high97.2Very high6 Ų644.8 Ų44.83%0.03121%0.205CC..  trans-71.3118.3-176.9-179.171.5000111.8W236 P277 N311 V425 R426 W430 Y433W236-L428 HydrophobicContact CB-CD1 4.17Å; W236-L428 HydrophobicContact CD2-CD1 3.39Å; W236-L428 VanDerWaalsContact CE2-CD1 3.41Å; W236-L428 HydrophobicContact CE3-CD1 4.1Å; W236-L428 HydrophobicContact CG-CD1 3.38Å; W236-L428 HydrophobicContact CH2-CB 4.44Å; W236-L428 HydrophobicContact CZ2-CB 4.29Å; W236-L428 HydrophobicContact CZ2-CD1 4.15Å; P277-L428 HydrophobicContact CG-CD1 4.34Å; P277-L428 HydrophobicContact CG-CD2 4.2Å; N311-L428 PolarHBondContact ND2-O 2.94Å; V425-L428 WeakPolarHBondContact O-CB 3.38Å; V425-L428 PolarHBondContact O-N 3.27Å; V425-L428 VanDerWaalsContact O-N 3.09Å; R426-L428 VanDerWaalsContact C-N 3.28Å; R426-L428 PolarHBondContact O-N 2.94Å; L428-W430 HydrophobicContact CD2-CD2 4.15Å; L428-W430 HydrophobicContact CD2-CE3 4.01Å; L428-W430 HydrophobicContact CD2-CH2 3.95Å; L428-W430 HydrophobicContact CD2-CZ2 4.08Å; L428-W430 HydrophobicContact CD2-CZ3 3.89Å; L428-W430 PolarHBondContact O-N 3.47Å; L428-Y433 HydrophobicContact CD1-CD2 4.03Å; L428-Y433 HydrophobicContact CD1-CG 3.85Å; L428-Y433 HydrophobicContact CD2-CD1 4.4Å; L428-Y433 HydrophobicContact CD2-CG 4.49Å
429N97.8Very high97.1Very high84 Ų8443.7 Ų43.745%0.44920%0.201SC..  trans-81108.1165.3-172.1-55.5000110.5Q427 L431 E432 Y433Q427-N429 PolarHBondContact O-N 2.84Å; N429-L431 VanDerWaalsContact C-N 3.3Å; N429-L431 PolarHBondContact O-N 3.37Å; N429-L431 WeakPolarHBondContact OD1-CB 3.48Å; N429-L431 PolarHBondContact OD1-N 3.09Å; N429-E432 HydrophobicContact CB-CB 4.2Å; N429-E432 PolarHBondContact O-N 3.16Å; N429-E432 PolarHBondContact OD1-N 2.89Å; N429-Y433 WeakPolarHBondContact O-CB 3.36Å; N429-Y433 PolarHBondContact O-N 2.95Å
430W97.5Very high97.1Very high11 Ų1136 Ų364%0.04217%0.172CC..Hα-helixtrans-58.1-35.6-179.1-76110.1000114.8V275 N311 C313 M318 L428 Y433 I434V275-W430 HydrophobicContact CB-CH2 4.38Å; V275-W430 HydrophobicContact CB-CZ3 4.37Å; V275-W430 WeakPolarHBondContact O-CH2 3.4Å; N311-W430 VanDerWaalsContact O-CZ2 3.25Å; N311-W430 WeakPolarHBondContact O-CZ2 3.33Å; N311-W430 PolarHBondContact O-NE1 3.34Å; N311-W430 PolarHBondContact OD1-NE1 2.95Å; N311-W430 VanDerWaalsContact OD1-NE1 3.13Å; C313-W430 HydrophobicContact CB-CD2 3.58Å; C313-W430 VanDerWaalsContact CB-CE2 3.43Å; C313-W430 HydrophobicContact CB-CE3 4.26Å; C313-W430 HydrophobicContact CB-CG 3.72Å; C313-W430 HydrophobicContact CB-CZ2 3.95Å; M318-W430 HydrophobicContact CE-CD2 4.3Å; M318-W430 HydrophobicContact CE-CE3 3.64Å; M318-W430 HydrophobicContact CE-CH2 3.65Å; M318-W430 HydrophobicContact CE-CZ2 4.31Å; M318-W430 HydrophobicContact CE-CZ3 3.29Å; L428-W430 HydrophobicContact CD2-CD2 4.15Å; L428-W430 HydrophobicContact CD2-CE3 4.01Å; L428-W430 HydrophobicContact CD2-CH2 3.95Å; L428-W430 HydrophobicContact CD2-CZ2 4.08Å; L428-W430 HydrophobicContact CD2-CZ3 3.89Å; L428-W430 PolarHBondContact O-N 3.47Å; W430-Y433 AromaticContact CE3-CD1 3.99Å; W430-Y433 HydrophobicContact CE3-CD1 3.99Å; W430-Y433 AromaticContact CZ3-CD1 3.98Å; W430-Y433 HydrophobicContact CZ3-CD1 3.98Å; W430-Y433 HydrophobicContact CZ3-CE1 4.13Å; W430-I434 WeakPolarHBondContact O-CB 3.45Å; W430-I434 WeakPolarHBondContact O-CG1 3.3Å; W430-I434 PolarHBondContact O-N 3.09Å
431L96.3Very high97.1Very high76 Ų7634.9 Ų34.940%0.39817%0.166SC..Hα-helixtrans-70.6-45.1-176.2-60.8-179.8000111Q321 N429 E435Q321-L431 HydrophobicContact CB-CD2 4.08Å; Q321-L431 HydrophobicContact CG-CB 4.48Å; Q321-L431 HydrophobicContact CG-CD2 3.96Å; Q321-L431 PolarHBondContact NE2-O 2.92Å; N429-L431 VanDerWaalsContact C-N 3.3Å; N429-L431 PolarHBondContact O-N 3.37Å; N429-L431 WeakPolarHBondContact OD1-CB 3.48Å; N429-L431 PolarHBondContact OD1-N 3.09Å; L431-E435 PolarHBondContact O-N 3.39Å; L431-E435 VanDerWaalsContact O-N 3.09Å
432E97.1Very high97.1Very high112 Ų11234.9 Ų34.952%0.52317%0.166SC..Hα-helixtrans-66.1-45.6176.3-176.7-179.8179.300111.4N429 I434 E435 N436N429-E432 HydrophobicContact CB-CB 4.2Å; N429-E432 PolarHBondContact O-N 3.16Å; N429-E432 PolarHBondContact OD1-N 2.89Å; E432-I434 VanDerWaalsContact C-N 3.35Å; E432-I434 PolarHBondContact O-N 3.18Å; E432-E435 PolarHBondContact O-N 3.43Å; E432-N436 WeakPolarHBondContact O-CB 3.42Å; E432-N436 PolarHBondContact O-N 2.92Å; E432-N436 PolarHBondContact O-ND2 3.35Å
433Y98.1Very high97Very high2 Ų238 Ų381%0.00818%0.179CC..Hα-helixtrans-57.4-47.1177.4174.4-112000111.6A234 W236 V275 P277 L428 N429 W430 E435 N436 Y437A234-Y433 PolarHBondContact N-OH 2.8Å; A234-Y433 PolarHBondContact O-OH 3.32Å; A234-Y433 VanDerWaalsContact O-OH 3.1Å; W236-Y433 HydrophobicContact CB-CD2 4.03Å; W236-Y433 HydrophobicContact CB-CE2 4.12Å; W236-Y433 HydrophobicContact CG-CD2 4.35Å; V275-Y433 HydrophobicContact CG1-CE1 4.22Å; P277-Y433 HydrophobicContact CB-CE2 4.12Å; P277-Y433 HydrophobicContact CG-CD2 4.48Å; P277-Y433 HydrophobicContact CG-CE2 3.88Å; L428-Y433 HydrophobicContact CD1-CD2 4.03Å; L428-Y433 HydrophobicContact CD1-CG 3.85Å; L428-Y433 HydrophobicContact CD2-CD1 4.4Å; L428-Y433 HydrophobicContact CD2-CG 4.49Å; N429-Y433 WeakPolarHBondContact O-CB 3.36Å; N429-Y433 PolarHBondContact O-N 2.95Å; W430-Y433 AromaticContact CE3-CD1 3.99Å; W430-Y433 HydrophobicContact CE3-CD1 3.99Å; W430-Y433 AromaticContact CZ3-CD1 3.98Å; W430-Y433 HydrophobicContact CZ3-CD1 3.98Å; W430-Y433 HydrophobicContact CZ3-CE1 4.13Å; Y433-E435 PolarHBondContact O-N 2.79Å; Y433-N436 PolarHBondContact O-N 3.5Å; Y433-Y437 AromaticContact CE1-CD1 3.81Å; Y433-Y437 HydrophobicContact CE1-CD1 3.81Å; Y433-Y437 HydrophobicContact CE1-CE1 4.36Å; Y433-Y437 HydrophobicContact CE2-CD1 4.4Å; Y433-Y437 AromaticContact CZ-CD1 3.69Å; Y433-Y437 VanDerWaalsContact O-CB 3.25Å; Y433-Y437 WeakPolarHBondContact O-CB 3.33Å; Y433-Y437 PolarHBondContact O-N 3.05Å
434I97.5Very high96.8Very high10 Ų1040 Ų405%0.05119%0.186CC..Hα-helixtrans-66.2-37.1179.1-66.5-66.1000112M318 Q321 V322 W430 E432 Y437 V438M318-I434 HydrophobicContact CG-CD1 4.33Å; M318-I434 HydrophobicContact SD-CD1 4.26Å; Q321-I434 HydrophobicContact CB-CB 4.42Å; Q321-I434 HydrophobicContact CB-CG2 3.96Å; Q321-I434 HydrophobicContact CG-CB 3.8Å; Q321-I434 HydrophobicContact CG-CG2 3.62Å; V322-I434 HydrophobicContact CB-CG2 4.45Å; V322-I434 HydrophobicContact CG2-CG2 3.52Å; W430-I434 WeakPolarHBondContact O-CB 3.45Å; W430-I434 WeakPolarHBondContact O-CG1 3.3Å; W430-I434 PolarHBondContact O-N 3.09Å; E432-I434 VanDerWaalsContact C-N 3.35Å; E432-I434 PolarHBondContact O-N 3.18Å; I434-Y437 WeakPolarHBondContact O-CB 3.44Å; I434-Y437 PolarHBondContact O-N 3.32Å; I434-V438 WeakPolarHBondContact O-CG2 3.38Å; I434-V438 PolarHBondContact O-N 2.81Å
435E97.3Very high96.7Very high52 Ų5240.6 Ų40.624%0.24319%0.189CC..Hα-helixtrans-62.8-48.2175.5-178157.3-17500110.9T325 K328 L431 E432 Y433 Y437 V438 L439T325-E435 HydrophobicContact CG2-CB 4.47Å; T325-E435 HydrophobicContact CG2-CG 4.04Å; K328-E435 WeakPolarHBondContact CD-OE1 3.5Å; K328-E435 IonicContact NZ-OE1 2.9Å; K328-E435 PolarHBondContact NZ-OE1 2.96Å; K328-E435 VanDerWaalsContact NZ-OE1 3.11Å; K328-E435 IonicContact NZ-OE2 3.17Å; K328-E435 PolarHBondContact NZ-OE2 3.07Å; L431-E435 PolarHBondContact O-N 3.39Å; L431-E435 VanDerWaalsContact O-N 3.09Å; E432-E435 PolarHBondContact O-N 3.43Å; Y433-E435 PolarHBondContact O-N 2.79Å; E435-Y437 VanDerWaalsContact C-N 3.32Å; E435-Y437 PolarHBondContact O-N 2.8Å; E435-V438 PolarHBondContact O-N 3.5Å; E435-L439 WeakPolarHBondContact O-CB 3.39Å; E435-L439 PolarHBondContact O-N 3.34Å
436N97.9Very high96.7Very high38 Ų3842.7 Ų42.720%0.20320%0.2CC..Hα-helixtrans-63.5-35.9175.1-75.4-35000112.6P241 G242 E432 Y433 G440P241-N436 HydrophobicContact CB-CB 4.05Å; G242-N436 WeakPolarHBondContact CA-O 3.48Å; E432-N436 WeakPolarHBondContact O-CB 3.42Å; E432-N436 PolarHBondContact O-N 2.92Å; E432-N436 PolarHBondContact O-ND2 3.35Å; Y433-N436 PolarHBondContact O-N 3.5Å; N436-G440 PolarHBondContact O-N 3.34Å
437Y97.8Very high96.7Very high4 Ų444.9 Ų44.92%0.01621%0.214CC..Hα-helixtrans-61.1-54.4175.5-160.5140.4000110.3G233 A234 V244 N251 I254 Y433 I434 E435 L439 G440 V441G233-Y437 WeakPolarHBondContact CA-OH 3.16Å; A234-Y437 HydrophobicContact CB-CD1 3.73Å; A234-Y437 HydrophobicContact CB-CD2 3.9Å; A234-Y437 HydrophobicContact CB-CE1 3.86Å; A234-Y437 HydrophobicContact CB-CE2 3.98Å; A234-Y437 HydrophobicContact CB-CG 3.74Å; V244-Y437 HydrophobicContact CG1-CE2 4.15Å; N251-Y437 WeakPolarHBondContact OD1-CE2 3.41Å; N251-Y437 VanDerWaalsContact OD1-CZ 3.26Å; N251-Y437 PolarHBondContact OD1-OH 2.8Å; I254-Y437 HydrophobicContact CD1-CD2 3.65Å; I254-Y437 HydrophobicContact CD1-CE2 3.69Å; I254-Y437 HydrophobicContact CD1-CG 4.31Å; Y433-Y437 AromaticContact CE1-CD1 3.81Å; Y433-Y437 HydrophobicContact CE1-CD1 3.81Å; Y433-Y437 HydrophobicContact CE1-CE1 4.36Å; Y433-Y437 HydrophobicContact CE2-CD1 4.4Å; Y433-Y437 AromaticContact CZ-CD1 3.69Å; Y433-Y437 VanDerWaalsContact O-CB 3.25Å; Y433-Y437 WeakPolarHBondContact O-CB 3.33Å; Y433-Y437 PolarHBondContact O-N 3.05Å; I434-Y437 WeakPolarHBondContact O-CB 3.44Å; I434-Y437 PolarHBondContact O-N 3.32Å; E435-Y437 VanDerWaalsContact C-N 3.32Å; E435-Y437 PolarHBondContact O-N 2.8Å; Y437-L439 VanDerWaalsContact C-N 3.3Å; Y437-L439 PolarHBondContact O-N 3.38Å; Y437-G440 WeakPolarHBondContact O-CA 3.43Å; Y437-G440 PolarHBondContact O-N 2.83Å; Y437-G440 VanDerWaalsContact O-N 3.09Å; Y437-V441 HydrophobicContact CD2-CG2 3.8Å; Y437-V441 HydrophobicContact CE2-CG2 3.84Å; Y437-V441 WeakPolarHBondContact O-CG2 3.43Å; Y437-V441 PolarHBondContact O-N 3.26Å
438V97.6Very high96.7Very high0 Ų040.4 Ų40.40%019%0.192CC..Hα-helixtrans-61.8-40.4-179172.80000111.2I254 V322 T325 F326 F331 I434 E435 G440 V441 K442I254-V438 HydrophobicContact CG2-CG2 4.15Å; V322-V438 HydrophobicContact CB-CG2 4.47Å; V322-V438 HydrophobicContact CG1-CG2 4.24Å; V322-V438 HydrophobicContact CG2-CG2 4.13Å; T325-V438 HydrophobicContact CG2-CB 3.72Å; T325-V438 HydrophobicContact CG2-CG1 3.7Å; T325-V438 HydrophobicContact CG2-CG2 4.37Å; F326-V438 HydrophobicContact CD1-CG1 3.84Å; F326-V438 HydrophobicContact CE1-CG1 3.53Å; F326-V438 HydrophobicContact CZ-CG1 4.38Å; F331-V438 HydrophobicContact CE1-CG1 4.16Å; F331-V438 HydrophobicContact CZ-CG1 4.29Å; I434-V438 WeakPolarHBondContact O-CG2 3.38Å; I434-V438 PolarHBondContact O-N 2.81Å; E435-V438 PolarHBondContact O-N 3.5Å; V438-G440 VanDerWaalsContact C-N 3.33Å; V438-V441 PolarHBondContact O-N 3.44Å; V438-K442 PolarHBondContact O-N 2.97Å; V438-K442 VanDerWaalsContact O-N 3.08Å
439L96.6Very high96.5Very high49 Ų4945 Ų4526%0.25722%0.217SC..Hα-helixtrans-58-46.6172.7174.264.2000111.5I329 E435 Y437 K442 K443 M450I329-L439 HydrophobicContact CD1-CD1 4.28Å; I329-L439 HydrophobicContact CG2-CD1 4.46Å; E435-L439 WeakPolarHBondContact O-CB 3.39Å; E435-L439 PolarHBondContact O-N 3.34Å; Y437-L439 VanDerWaalsContact C-N 3.3Å; Y437-L439 PolarHBondContact O-N 3.38Å; L439-K442 WeakPolarHBondContact O-CB 3.48Å; L439-K442 PolarHBondContact O-N 3.2Å; L439-K443 WeakPolarHBondContact O-CB 3.4Å; L439-K443 PolarHBondContact O-N 3.46Å; L439-M450 HydrophobicContact CD1-CE 3.13Å; L439-M450 HydrophobicContact CD1-SD 3.52Å; L439-M450 VanDerWaalsContact CD1-SD 3.52Å
440G96.5Very high96.3Very high1 Ų144.1 Ų44.11%0.0121%0.211CC..Hα-helixtrans-59.9-44176.400000113.8G242 N436 Y437 V438 K442 K443 Y444G242-G440 WeakPolarHBondContact O-CA 3.48Å; N436-G440 PolarHBondContact O-N 3.34Å; Y437-G440 WeakPolarHBondContact O-CA 3.43Å; Y437-G440 PolarHBondContact O-N 2.83Å; Y437-G440 VanDerWaalsContact O-N 3.09Å; V438-G440 VanDerWaalsContact C-N 3.33Å; G440-K442 VanDerWaalsContact C-N 3.32Å; G440-K442 PolarHBondContact O-N 3.48Å; G440-K443 PolarHBondContact O-N 2.93Å; G440-Y444 WeakPolarHBondContact O-CB 3.38Å; G440-Y444 WeakPolarHBondContact O-CD2 3.21Å; G440-Y444 PolarHBondContact O-N 3.38Å
441V97.4Very high96.1Very high0 Ų047.3 Ų47.30%024%0.24CC..Iπ-helixtrans-59.5-42.9174169.40000111.1V244 I254 I255 F331 Y437 V438 L445 L446V244-V441 HydrophobicContact CG2-CG2 4.08Å; I254-V441 HydrophobicContact CD1-CG2 4.39Å; I254-V441 HydrophobicContact CG2-CB 4.27Å; I254-V441 HydrophobicContact CG2-CG1 4.03Å; I254-V441 HydrophobicContact CG2-CG2 4.21Å; I255-V441 HydrophobicContact CD1-CG1 4.07Å; I255-V441 HydrophobicContact CG1-CG1 3.5Å; I255-V441 VanDerWaalsContact CG1-CG1 3.5Å; F331-V441 HydrophobicContact CE2-CG1 4.3Å; F331-V441 HydrophobicContact CZ-CB 4.3Å; F331-V441 HydrophobicContact CZ-CG1 3.7Å; Y437-V441 HydrophobicContact CD2-CG2 3.8Å; Y437-V441 HydrophobicContact CE2-CG2 3.84Å; Y437-V441 WeakPolarHBondContact O-CG2 3.43Å; Y437-V441 PolarHBondContact O-N 3.26Å; V438-V441 PolarHBondContact O-N 3.44Å; V441-L445 HydrophobicContact CB-CD1 4.5Å; V441-L445 HydrophobicContact CG1-CD1 4.26Å; V441-L445 HydrophobicContact CG2-CD1 4.16Å; V441-L445 WeakPolarHBondContact O-CB 3.45Å; V441-L445 PolarHBondContact O-N 2.81Å; V441-L446 PolarHBondContact O-N 2.89Å
442K97.2Very high96Very high0 Ų044.4 Ų44.40%023%0.228CC..Iπ-helixtrans-59.4-50.1175.3-175.2177.2167.570.50111.4I329 P330 F331 V438 L439 G440 L446 K447 E448 D449 M450I329-K442 HydrophobicContact CG2-CD 3.62Å; P330-K442 PolarHBondContact O-NZ 2.91Å; F331-K442 HydrophobicContact CD1-CB 3.95Å; F331-K442 HydrophobicContact CD1-CD 4.41Å; F331-K442 HydrophobicContact CD1-CG 4.1Å; F331-K442 HydrophobicContact CE1-CB 3.7Å; F331-K442 HydrophobicContact CE1-CG 4.36Å; V438-K442 PolarHBondContact O-N 2.97Å; V438-K442 VanDerWaalsContact O-N 3.08Å; L439-K442 WeakPolarHBondContact O-CB 3.48Å; L439-K442 PolarHBondContact O-N 3.2Å; G440-K442 VanDerWaalsContact C-N 3.32Å; G440-K442 PolarHBondContact O-N 3.48Å; K442-L446 CarbonylContact O-C 3.58Å; K442-L446 WeakPolarHBondContact O-CB 3.3Å; K442-K447 PolarHBondContact O-N 3.32Å; K442-E448 HydrophobicContact CG-CB 3.79Å; K442-E448 IonicContact NZ-OE2 3.09Å; K442-E448 PolarHBondContact NZ-OE2 2.91Å; K442-E448 PolarHBondContact O-N 3.45Å; K442-D449 WeakPolarHBondContact CE-O 3.41Å; K442-M450 HydrophobicContact CD-SD 3.97Å
443K95Very high95.9Very high84 Ų8440.3 Ų40.337%0.36521%0.209SC..Iπ-helixtrans-77.2-46.7-169.8-174.2174.9177.9179.40113.2L439 G440 K447L439-K443 WeakPolarHBondContact O-CB 3.4Å; L439-K443 PolarHBondContact O-N 3.46Å; G440-K443 PolarHBondContact O-N 2.93Å; K443-K447 WeakPolarHBondContact O-CA 3.39Å
444Y94.3Very high95.8Very high43 Ų4344.5 Ų44.517%0.16924%0.237CC..Iπ-helixtrans-97-37.9-168.9-54.2-54.6000112.9K63 F240 W243 V244 G440K63-Y444 HydrophobicContact CD-CE1 3.75Å; F240-Y444 HydrophobicContact CD2-CE2 4.41Å; F240-Y444 HydrophobicContact CE2-CE1 4.23Å; F240-Y444 AromaticContact CE2-CE2 3.9Å; F240-Y444 HydrophobicContact CE2-CE2 3.9Å; F240-Y444 AromaticContact CE2-CZ 3.55Å; F240-Y444 VanDerWaalsContact CE2-OH 3.31Å; F240-Y444 WeakPolarHBondContact CE2-OH 3.32Å; W243-Y444 HydrophobicContact CB-CE2 4.48Å; V244-Y444 WeakPolarHBondContact O-CB 3.31Å; G440-Y444 WeakPolarHBondContact O-CB 3.38Å; G440-Y444 WeakPolarHBondContact O-CD2 3.21Å; G440-Y444 PolarHBondContact O-N 3.38Å
445L94.2Very high95.8Very high34 Ų3452 Ų5218%0.17827%0.269CS..Iπ-helixtrans-87.8-52.4178.5-61.4-178.8000112.6V244 D245 N246 N251 I255 V441 K447V244-L445 HydrophobicContact CB-CD1 4.27Å; V244-L445 HydrophobicContact CB-CD2 4.47Å; V244-L445 HydrophobicContact CB-CG 4.36Å; V244-L445 HydrophobicContact CG2-CD1 3.77Å; V244-L445 HydrophobicContact CG2-CD2 4.34Å; V244-L445 HydrophobicContact CG2-CG 3.75Å; V244-L445 WeakPolarHBondContact O-CD2 3.45Å; D245-L445 VanDerWaalsContact CA-CD2 3.47Å; N246-L445 VanDerWaalsContact N-CD2 3.27Å; N246-L445 WeakPolarHBondContact O-CD1 3.39Å; N251-L445 HydrophobicContact CB-CD1 3.8Å; I255-L445 HydrophobicContact CD1-CB 4.35Å; I255-L445 HydrophobicContact CD1-CD1 4.15Å; V441-L445 HydrophobicContact CB-CD1 4.5Å; V441-L445 HydrophobicContact CG1-CD1 4.26Å; V441-L445 HydrophobicContact CG2-CD1 4.16Å; V441-L445 WeakPolarHBondContact O-CB 3.45Å; V441-L445 PolarHBondContact O-N 2.81Å; L445-K447 VanDerWaalsContact C-N 3.28Å
446L96Very high95.7Very high45 Ų4549.8 Ų49.824%0.23626%0.26CS..SBendtrans-79.8-14.4-179.2-61.4179.1000112.5I255 F331 V441 K442 E448I255-L446 HydrophobicContact CD1-CD2 4.04Å; I255-L446 HydrophobicContact CD1-CG 4.49Å; I255-L446 HydrophobicContact CG1-CD1 4.47Å; I255-L446 HydrophobicContact CG1-CD2 4.09Å; I255-L446 HydrophobicContact CG1-CG 4.32Å; I255-L446 HydrophobicContact CG2-CD2 4.05Å; F331-L446 HydrophobicContact CB-CD1 4.23Å; F331-L446 HydrophobicContact CD1-CD1 3.89Å; F331-L446 HydrophobicContact CD2-CD1 3.54Å; F331-L446 HydrophobicContact CE1-CD1 4.09Å; F331-L446 HydrophobicContact CE2-CD1 3.76Å; F331-L446 HydrophobicContact CG-CD1 3.61Å; F331-L446 HydrophobicContact CZ-CD1 4Å; V441-L446 PolarHBondContact O-N 2.89Å; K442-L446 CarbonylContact O-C 3.58Å; K442-L446 WeakPolarHBondContact O-CB 3.3Å; L446-E448 HydrophobicContact CB-CG 3.83Å; L446-E448 PolarHBondContact O-N 2.75Å
447K95.3Very high95.6Very high178 Ų17852.1 Ų52.177%0.77427%0.268SS*.  trans50.937.3-177.4-58.2-174.8178.8-172.20112.2K442 K443 L445K442-K447 PolarHBondContact O-N 3.32Å; K443-K447 WeakPolarHBondContact O-CA 3.39Å; L445-K447 VanDerWaalsContact C-N 3.28Å
448E95.7Very high95.5Very high19 Ų1956.6 Ų56.69%0.08929%0.289CS..  trans-89140.2179-68.7177.2179.700110.4K259 F331 E332 K442 L446K259-E448 IonicContact NZ-OE1 2.98Å; K259-E448 PolarHBondContact NZ-OE1 3.18Å; F331-E448 VanDerWaalsContact CA-OE2 3.31Å; F331-E448 WeakPolarHBondContact CA-OE2 3.4Å; E332-E448 HydrophobicContact CB-CG 4.17Å; E332-E448 WeakPolarHBondContact CB-OE1 3.27Å; E332-E448 HydrophobicContact CG-CB 4.3Å; E332-E448 HydrophobicContact CG-CG 4.1Å; E332-E448 PolarHBondContact N-OE1 3.15Å; E332-E448 VanDerWaalsContact N-OE1 3.11Å; E332-E448 PolarHBondContact N-OE2 3.48Å; K442-E448 HydrophobicContact CG-CB 3.79Å; K442-E448 IonicContact NZ-OE2 3.09Å; K442-E448 PolarHBondContact NZ-OE2 2.91Å; K442-E448 PolarHBondContact O-N 3.45Å; L446-E448 HydrophobicContact CB-CG 3.83Å; L446-E448 PolarHBondContact O-N 2.75Å
449D92.9Very high95.4Very high103 Ų10361.4 Ų61.455%0.55131%0.307SS*.  trans-72.2139.5178.1-168-9.7000110.4K442 A451 G452K442-D449 WeakPolarHBondContact CE-O 3.41Å; D449-A451 VanDerWaalsContact C-N 3.26Å; D449-A451 PolarHBondContact OD1-N 3.38Å; D449-G452 PolarHBondContact O-N 3.11Å
450M93.3Very high95.3Very high66 Ų6660 Ų6033%0.32530%0.3SS..G310 helixtrans-67.3-30.2172.2-64.7-55.9-6600111.4I329 L439 K442 G452 I453I329-M450 HydrophobicContact CG2-CE 4.32Å; L439-M450 HydrophobicContact CD1-CE 3.13Å; L439-M450 HydrophobicContact CD1-SD 3.52Å; L439-M450 VanDerWaalsContact CD1-SD 3.52Å; K442-M450 HydrophobicContact CD-SD 3.97Å; M450-G452 PolarHBondContact O-N 3.35Å; M450-I453 HydrophobicContact CE-CD1 3.44Å; M450-I453 VanDerWaalsContact CE-CD1 3.44Å; M450-I453 WeakPolarHBondContact O-CB 3.44Å; M450-I453 WeakPolarHBondContact O-CD1 3.45Å; M450-I453 VanDerWaalsContact O-CG1 3.24Å; M450-I453 WeakPolarHBondContact O-CG1 3.41Å; M450-I453 PolarHBondContact O-N 3.46Å; M450-I453 HydrophobicContact SD-CD1 4.27Å
451A94.8Very high95.3Very high77 Ų7766.1 Ų66.164%0.63633%0.326SS*.G310 helixtrans-63-20.5172.500000112.7D449 I453 P454D449-A451 VanDerWaalsContact C-N 3.26Å; D449-A451 PolarHBondContact OD1-N 3.38Å; A451-I453 VanDerWaalsContact C-N 3.27Å; A451-I453 PolarHBondContact O-N 3.29Å; A451-P454 VanDerWaalsContact O-CD 3.29Å; A451-P454 WeakPolarHBondContact O-CD 3.48Å
452G93.9Very high95.2Very high15 Ų1573.1 Ų73.116%0.15535%0.353CS..G310 helixtrans-74.1-8.8177.800000115.1D449 M450 K455 A456D449-G452 PolarHBondContact O-N 3.11Å; M450-G452 PolarHBondContact O-N 3.35Å; G452-K455 PolarHBondContact O-N 3.23Å; G452-A456 PolarHBondContact O-N 3.39Å
453I95.1Very high95.1Very high26 Ų2674.8 Ų74.813%0.13336%0.361CS..Hα-helixtrans-56.8-46.7-174.5-73.2169.7000113.7I329 M450 A451 K455 A456 K457I329-I453 HydrophobicContact CG1-CD1 4.36Å; I329-I453 HydrophobicContact CG2-CD1 3.93Å; I329-I453 HydrophobicContact CG2-CG1 4.41Å; M450-I453 HydrophobicContact CE-CD1 3.44Å; M450-I453 VanDerWaalsContact CE-CD1 3.44Å; M450-I453 WeakPolarHBondContact O-CB 3.44Å; M450-I453 WeakPolarHBondContact O-CD1 3.45Å; M450-I453 VanDerWaalsContact O-CG1 3.24Å; M450-I453 WeakPolarHBondContact O-CG1 3.41Å; M450-I453 PolarHBondContact O-N 3.46Å; M450-I453 HydrophobicContact SD-CD1 4.27Å; A451-I453 VanDerWaalsContact C-N 3.27Å; A451-I453 PolarHBondContact O-N 3.29Å; I453-K455 VanDerWaalsContact C-N 3.3Å; I453-K455 PolarHBondContact O-N 2.92Å; I453-A456 PolarHBondContact O-N 3.01Å; I453-A456 VanDerWaalsContact O-N 3.16Å; I453-K457 HydrophobicContact CG2-CD 4.19Å; I453-K457 HydrophobicContact CG2-CG 4.34Å; I453-K457 WeakPolarHBondContact O-CG 3.44Å; I453-K457 PolarHBondContact O-N 3.01Å
454P96Very high95Very high90 Ų9075.3 Ų75.358%0.58436%0.361SS*.Hα-helixtrans-58.8-41.6179.8-25.836.2000112.6A451 K457 Q458A451-P454 VanDerWaalsContact O-CD 3.29Å; A451-P454 WeakPolarHBondContact O-CD 3.48Å; P454-K457 PolarHBondContact O-N 3.04Å; P454-Q458 PolarHBondContact O-N 3.34Å
455K96.1Very high95.1Very high168 Ų16877.7 Ų77.773%0.7338%0.377SS*.Hα-helixtrans-66.2-40.9176.9-172.5176.3-176.6173.20111.6G452 I453 Q458 R459G452-K455 PolarHBondContact O-N 3.23Å; I453-K455 VanDerWaalsContact C-N 3.3Å; I453-K455 PolarHBondContact O-N 2.92Å; K455-Q458 PolarHBondContact O-N 3.32Å; K455-R459 PolarHBondContact O-N 3.06Å
456A96.1Very high95Very high5 Ų581.2 Ų81.24%0.04140%0.395CS..Hα-helixtrans-63.8-41.6175.100000111.9P330 G452 I453 Q458 R459 L460P330-A456 HydrophobicContact CB-CB 4.1Å; P330-A456 HydrophobicContact CG-CB 3.7Å; G452-A456 PolarHBondContact O-N 3.39Å; I453-A456 PolarHBondContact O-N 3.01Å; I453-A456 VanDerWaalsContact O-N 3.16Å; A456-Q458 PolarHBondContact O-N 2.9Å; A456-R459 WeakPolarHBondContact O-CB 3.19Å; A456-R459 PolarHBondContact O-N 3.41Å; A456-L460 PolarHBondContact O-N 3.42Å
457K96.2Very high94.7Very high87 Ų8783.2 Ų83.238%0.37840%0.403SS..Hα-helixtrans-60.1-44.4172.6-74.7-176.4176.6177.10112.1E327 K328 P330 I453 P454 R459 L460 K461E327-K457 WeakPolarHBondContact O-CE 3.43Å; K328-K457 WeakPolarHBondContact O-CE 3.35Å; K328-K457 PolarHBondContact O-NZ 3.36Å; P330-K457 HydrophobicContact CG-CB 4.46Å; P330-K457 HydrophobicContact CG-CG 3.67Å; I453-K457 HydrophobicContact CG2-CD 4.19Å; I453-K457 HydrophobicContact CG2-CG 4.34Å; I453-K457 WeakPolarHBondContact O-CG 3.44Å; I453-K457 PolarHBondContact O-N 3.01Å; P454-K457 PolarHBondContact O-N 3.04Å; K457-R459 VanDerWaalsContact C-N 3.29Å; K457-R459 PolarHBondContact O-N 2.87Å; K457-L460 PolarHBondContact O-N 2.87Å; K457-K461 PolarHBondContact O-N 2.66Å
458Q95.9Very high94.6Very high99 Ų9980.7 Ų80.746%0.46339%0.389SS..Hα-helixtrans-61.2-40.3176.7-166-172.721.400111.4P454 K455 A456 K461 R462P454-Q458 PolarHBondContact O-N 3.34Å; K455-Q458 PolarHBondContact O-N 3.32Å; A456-Q458 PolarHBondContact O-N 2.9Å; Q458-K461 WeakPolarHBondContact O-CB 3.46Å; Q458-K461 PolarHBondContact O-N 3.25Å; Q458-R462 VanDerWaalsContact NE2-NH2 3.14Å; Q458-R462 WeakPolarHBondContact O-CG 3.37Å; Q458-R462 PolarHBondContact O-N 3.12Å
459R95.1Very high94.6Very high101 Ų10185.9 Ų85.938%0.38142%0.417SS..Hα-helixtrans-63.6-41.4175179.6163.8172.7152.4-1.4112.4P334 K455 A456 K457 K461 R462 L463P334-R459 HydrophobicContact CG-CG 4.44Å; P334-R459 PolarHBondContact O-NE 2.94Å; P334-R459 PolarHBondContact O-NH2 3.16Å; K455-R459 PolarHBondContact O-N 3.06Å; A456-R459 WeakPolarHBondContact O-CB 3.19Å; A456-R459 PolarHBondContact O-N 3.41Å; K457-R459 VanDerWaalsContact C-N 3.29Å; K457-R459 PolarHBondContact O-N 2.87Å; R459-K461 VanDerWaalsContact C-N 3.32Å; R459-K461 PolarHBondContact O-N 3.24Å; R459-R462 PolarHBondContact O-N 3.47Å; R459-L463 HydrophobicContact CG-CD1 4.26Å; R459-L463 HydrophobicContact CG-CG 4.49Å; R459-L463 WeakPolarHBondContact O-CG 3.49Å; R459-L463 PolarHBondContact O-N 3.28Å
460L95Very high94.5Very high20 Ų2087.2 Ų87.211%0.10542%0.418CS..Hα-helixtrans-61.6-39.8174-73.6-169.2000112.4P330 P334 R337 A456 K457 L463 R464P330-L460 HydrophobicContact CB-CD1 3.52Å; P330-L460 HydrophobicContact CB-CG 4.1Å; P330-L460 HydrophobicContact CG-CD1 4.22Å; P334-L460 HydrophobicContact CB-CD2 4.47Å; P334-L460 HydrophobicContact CG-CD2 3.75Å; R337-L460 HydrophobicContact CG-CD2 4.43Å; A456-L460 PolarHBondContact O-N 3.42Å; K457-L460 PolarHBondContact O-N 2.87Å; L460-L463 HydrophobicContact CD2-CD1 4.38Å; L460-L463 PolarHBondContact O-N 2.95Å; L460-R464 WeakPolarHBondContact O-CB 3.29Å; L460-R464 PolarHBondContact O-N 3.07Å
461K95.3Very high94.4Very high128 Ų12887.2 Ų87.256%0.55742%0.419SS*.Hα-helixtrans-60.9-44.3173.2-69.1179.2-178.9-177.60111.4K457 Q458 R459 R464 N465K457-K461 PolarHBondContact O-N 2.66Å; Q458-K461 WeakPolarHBondContact O-CB 3.46Å; Q458-K461 PolarHBondContact O-N 3.25Å; R459-K461 VanDerWaalsContact C-N 3.32Å; R459-K461 PolarHBondContact O-N 3.24Å; K461-R464 WeakPolarHBondContact O-CB 3.32Å; K461-R464 PolarHBondContact O-N 3.45Å; K461-N465 VanDerWaalsContact O-CG 3.28Å; K461-N465 PolarHBondContact O-N 2.88Å; K461-N465 PolarHBondContact O-OD1 2.94Å
462R96Very high94.3Very high147 Ų14787.1 Ų87.156%0.55541%0.411SS*.Hα-helixtrans-61.4-46.2175.5-68.5178.9-169.4-179.94.5111.9Q458 R459 R464 N465 I466Q458-R462 VanDerWaalsContact NE2-NH2 3.14Å; Q458-R462 WeakPolarHBondContact O-CG 3.37Å; Q458-R462 PolarHBondContact O-N 3.12Å; R459-R462 PolarHBondContact O-N 3.47Å; R462-R464 VanDerWaalsContact C-N 3.27Å; R462-R464 PolarHBondContact O-N 2.75Å; R462-N465 PolarHBondContact O-N 3.18Å; R462-N465 VanDerWaalsContact O-N 3.16Å; R462-I466 WeakPolarHBondContact O-CG1 3.03Å; R462-I466 PolarHBondContact O-N 3.42Å
463L94.8Very high94.3Very high35 Ų3588.5 Ų88.518%0.18342%0.421CS..Hα-helixtrans-61.9-35.6176.5-71.1172.6000112.3P334 R337 R459 L460 H467P334-L463 HydrophobicContact CB-CD1 4.5Å; P334-L463 HydrophobicContact CG-CD1 3.95Å; R337-L463 HydrophobicContact CG-CB 3.91Å; R459-L463 HydrophobicContact CG-CD1 4.26Å; R459-L463 HydrophobicContact CG-CG 4.49Å; R459-L463 WeakPolarHBondContact O-CG 3.49Å; R459-L463 PolarHBondContact O-N 3.28Å; L460-L463 HydrophobicContact CD2-CD1 4.38Å; L460-L463 PolarHBondContact O-N 2.95Å; L463-H467 WeakPolarHBondContact O-CB 3.48Å; L463-H467 PolarHBondContact O-N 3.14Å
464R94.1Very high94.1Very high95 Ų9592.1 Ų92.136%0.35844%0.44SS..Hα-helixtrans-63-47.3172.4-176.2-179.666.1-1784.2111.3L460 K461 R462 I466 H467 Y468L460-R464 WeakPolarHBondContact O-CB 3.29Å; L460-R464 PolarHBondContact O-N 3.07Å; K461-R464 WeakPolarHBondContact O-CB 3.32Å; K461-R464 PolarHBondContact O-N 3.45Å; R462-R464 VanDerWaalsContact C-N 3.27Å; R462-R464 PolarHBondContact O-N 2.75Å; R464-I466 PolarHBondContact O-N 3.24Å; R464-H467 WeakPolarHBondContact O-CB 3.3Å; R464-H467 PolarHBondContact O-N 3.25Å; R464-Y468 HydrophobicContact CG-CD2 3.98Å; R464-Y468 HydrophobicContact CG-CE1 4.44Å; R464-Y468 HydrophobicContact CG-CE2 3.41Å; R464-Y468 VanDerWaalsContact CG-CE2 3.41Å; R464-Y468 PolarHBondContact O-N 3.31Å
465N95.3Very high94Very high94 Ų9494 Ų9450%0.50344%0.439SS..Hα-helixtrans-65.2-40.3-179.6-64.80.8000111.7K461 R462 H467 Y468 L469K461-N465 VanDerWaalsContact O-CG 3.28Å; K461-N465 PolarHBondContact O-N 2.88Å; K461-N465 PolarHBondContact O-OD1 2.94Å; R462-N465 PolarHBondContact O-N 3.18Å; R462-N465 VanDerWaalsContact O-N 3.16Å; N465-H467 VanDerWaalsContact C-N 3.3Å; N465-H467 PolarHBondContact O-N 3.04Å; N465-Y468 PolarHBondContact O-N 2.8Å; N465-L469 WeakPolarHBondContact O-CB 3.4Å; N465-L469 PolarHBondContact O-N 3.48Å
466I92.9Very high93.7Very high108 Ų10890.5 Ų90.555%0.55443%0.428SS*.Hα-helixtrans-59.4-43.9173.3-68.8165.6000110.5R462 R464 L469 F470R462-I466 WeakPolarHBondContact O-CG1 3.03Å; R462-I466 PolarHBondContact O-N 3.42Å; R464-I466 PolarHBondContact O-N 3.24Å; I466-L469 PolarHBondContact O-N 2.98Å; I466-F470 VanDerWaalsContact O-CB 3.31Å; I466-F470 WeakPolarHBondContact O-CB 3.35Å; I466-F470 PolarHBondContact O-N 3.35Å
467H89.6Confident93.5Very high87 Ų8795.1 Ų95.140%0.40345%0.451SS..Hα-helixtrans-63.4-44.5177.8179.364.1000112.4L463 R464 N465 F470 N471L463-H467 WeakPolarHBondContact O-CB 3.48Å; L463-H467 PolarHBondContact O-N 3.14Å; R464-H467 WeakPolarHBondContact O-CB 3.3Å; R464-H467 PolarHBondContact O-N 3.25Å; N465-H467 VanDerWaalsContact C-N 3.3Å; N465-H467 PolarHBondContact O-N 3.04Å; H467-F470 PolarHBondContact O-N 3.02Å; H467-N471 PolarHBondContact CE1-ND2 3.11Å; H467-N471 PolarHBondContact CE1-OD1 3.45Å; H467-N471 PolarHBondContact NE2-ND2 3.34Å; H467-N471 VanDerWaalsContact O-CG 3.27Å; H467-N471 PolarHBondContact O-N 2.65Å; H467-N471 PolarHBondContact O-OD1 2.91Å
468Y93.4Very high93.3Very high125 Ų12593.5 Ų93.549%0.4945%0.454SS..Hα-helixtrans-62.9-46.1175.8-66.3-29.1000111.8R464 N465 F470 N471 T472R464-Y468 HydrophobicContact CG-CD2 3.98Å; R464-Y468 HydrophobicContact CG-CE1 4.44Å; R464-Y468 HydrophobicContact CG-CE2 3.41Å; R464-Y468 VanDerWaalsContact CG-CE2 3.41Å; R464-Y468 PolarHBondContact O-N 3.31Å; N465-Y468 PolarHBondContact O-N 2.8Å; Y468-F470 VanDerWaalsContact C-N 3.31Å; Y468-F470 PolarHBondContact O-N 2.87Å; Y468-N471 PolarHBondContact O-N 3.44Å; Y468-T472 WeakPolarHBondContact O-CB 3.34Å; Y468-T472 PolarHBondContact O-N 3.18Å; Y468-T472 PolarHBondContact O-OG1 2.92Å
469L94.5Very high92.9Very high127 Ų12791.3 Ų91.367%0.66544%0.442SS*.Hα-helixtrans-58.3-44.3176.5-178.264.6000111.7N465 I466 T472 A473N465-L469 WeakPolarHBondContact O-CB 3.4Å; N465-L469 PolarHBondContact O-N 3.48Å; I466-L469 PolarHBondContact O-N 2.98Å; L469-T472 PolarHBondContact O-N 3.41Å; L469-A473 WeakPolarHBondContact O-CB 3.36Å; L469-A473 PolarHBondContact O-N 3.23Å
470F90.8Very high92.6Very high131 Ų13196 Ų9658%0.57546%0.459SS*.Hα-helixtrans-61.6-47.9176.8177.8-95.9000112I466 H467 Y468 T472 A473 L474I466-F470 VanDerWaalsContact O-CB 3.31Å; I466-F470 WeakPolarHBondContact O-CB 3.35Å; I466-F470 PolarHBondContact O-N 3.35Å; H467-F470 PolarHBondContact O-N 3.02Å; Y468-F470 VanDerWaalsContact C-N 3.31Å; Y468-F470 PolarHBondContact O-N 2.87Å; F470-T472 PolarHBondContact O-N 3.49Å; F470-A473 PolarHBondContact O-N 2.87Å; F470-L474 HydrophobicContact CE1-CD2 4.48Å; F470-L474 WeakPolarHBondContact O-CB 3.41Å; F470-L474 PolarHBondContact O-N 3.44Å
471N90.7Very high92.4Very high66 Ų66100 Ų10035%0.35348%0.48SS..Hα-helixtrans-64.8-39.8178.8-68.6-5.7000111.7H467 Y468 L474 F475H467-N471 PolarHBondContact CE1-ND2 3.11Å; H467-N471 PolarHBondContact CE1-OD1 3.45Å; H467-N471 PolarHBondContact NE2-ND2 3.34Å; H467-N471 VanDerWaalsContact O-CG 3.27Å; H467-N471 PolarHBondContact O-N 2.65Å; H467-N471 PolarHBondContact O-OD1 2.91Å; Y468-N471 PolarHBondContact O-N 3.44Å; N471-L474 PolarHBondContact O-N 2.95Å; N471-F475 VanDerWaalsContact O-CB 3.29Å; N471-F475 WeakPolarHBondContact O-CB 3.18Å; N471-F475 PolarHBondContact O-N 3.36Å
472T94.1Very high92.1Very high76 Ų7698.1 Ų98.147%0.46648%0.476SS..Hα-helixtrans-63.5-45.5175.3-60.20000110.8Y468 L469 F470 L474 F475 L476Y468-T472 WeakPolarHBondContact O-CB 3.34Å; Y468-T472 PolarHBondContact O-N 3.18Å; Y468-T472 PolarHBondContact O-OG1 2.92Å; L469-T472 PolarHBondContact O-N 3.41Å; F470-T472 PolarHBondContact O-N 3.49Å; T472-L474 PolarHBondContact O-N 2.88Å; T472-F475 PolarHBondContact O-N 2.84Å; T472-L476 HydrophobicContact CG2-CD1 4.08Å; T472-L476 HydrophobicContact CG2-CG 4.42Å; T472-L476 WeakPolarHBondContact O-CB 3.45Å; T472-L476 VanDerWaalsContact O-CG 3.25Å; T472-L476 WeakPolarHBondContact O-CG 3.35Å; T472-L476 PolarHBondContact O-N 2.88Å
473A93.8Very high91.7Very high44 Ų4492.8 Ų92.836%0.36446%0.458SS..Hα-helixtrans-61.4-45.1176.500000111.7L469 F470 F475 L476 I477L469-A473 WeakPolarHBondContact O-CB 3.36Å; L469-A473 PolarHBondContact O-N 3.23Å; F470-A473 PolarHBondContact O-N 2.87Å; A473-F475 PolarHBondContact O-N 3.24Å; A473-L476 PolarHBondContact O-N 2.91Å; A473-I477 WeakPolarHBondContact O-CD1 3.3Å; A473-I477 VanDerWaalsContact O-CG1 3.24Å; A473-I477 WeakPolarHBondContact O-CG1 3.48Å; A473-I477 PolarHBondContact O-N 3.33Å
474L91.1Very high91.2Very high102 Ų10294.5 Ų94.553%0.53448%0.477SS..Hα-helixtrans-61.3-44.6176.9-176.365.9000111.7F470 N471 T472 I477 A478F470-L474 HydrophobicContact CE1-CD2 4.48Å; F470-L474 WeakPolarHBondContact O-CB 3.41Å; F470-L474 PolarHBondContact O-N 3.44Å; N471-L474 PolarHBondContact O-N 2.95Å; T472-L474 PolarHBondContact O-N 2.88Å; L474-I477 PolarHBondContact O-N 3.49Å; L474-A478 WeakPolarHBondContact O-CB 3.33Å; L474-A478 PolarHBondContact O-N 3.44Å
475F92.3Very high90.9Very high130 Ų130100.6 Ų100.657%0.5750%0.5SS*.Hα-helixtrans-59.7-47.3175.6174.9-96.2000111.4N471 T472 A473 I477 A478 W479N471-F475 VanDerWaalsContact O-CB 3.29Å; N471-F475 WeakPolarHBondContact O-CB 3.18Å; N471-F475 PolarHBondContact O-N 3.36Å; T472-F475 PolarHBondContact O-N 2.84Å; A473-F475 PolarHBondContact O-N 3.24Å; F475-I477 VanDerWaalsContact C-N 3.34Å; F475-I477 PolarHBondContact O-N 2.9Å; F475-A478 PolarHBondContact O-N 3.37Å; F475-W479 WeakPolarHBondContact O-CB 3.25Å; F475-W479 PolarHBondContact O-N 3.01Å
476L91.8Very high90.6Very high93 Ų9398.1 Ų98.149%0.48749%0.49SS..Hα-helixtrans-62.9-38.8178.7-70.2173.6000112.4T472 A473 R480T472-L476 HydrophobicContact CG2-CD1 4.08Å; T472-L476 HydrophobicContact CG2-CG 4.42Å; T472-L476 WeakPolarHBondContact O-CB 3.45Å; T472-L476 VanDerWaalsContact O-CG 3.25Å; T472-L476 WeakPolarHBondContact O-CG 3.35Å; T472-L476 PolarHBondContact O-N 2.88Å; A473-L476 PolarHBondContact O-N 2.91Å; L476-R480 VanDerWaalsContact O-CB 3.3Å; L476-R480 WeakPolarHBondContact O-CB 3.48Å; L476-R480 PolarHBondContact O-N 3.11Å
477I92Very high90.3Very high102 Ų10298 Ų9852%0.52349%0.487SS..Hα-helixtrans-65.4-49.5175.6-68.4164.2000110.4A473 L474 F475 W479 R480 L481A473-I477 WeakPolarHBondContact O-CD1 3.3Å; A473-I477 VanDerWaalsContact O-CG1 3.24Å; A473-I477 WeakPolarHBondContact O-CG1 3.48Å; A473-I477 PolarHBondContact O-N 3.33Å; L474-I477 PolarHBondContact O-N 3.49Å; F475-I477 VanDerWaalsContact C-N 3.34Å; F475-I477 PolarHBondContact O-N 2.9Å; I477-W479 VanDerWaalsContact C-N 3.34Å; I477-W479 PolarHBondContact O-N 3.39Å; I477-R480 PolarHBondContact O-N 3.48Å; I477-L481 HydrophobicContact CG2-CD1 4.23Å; I477-L481 WeakPolarHBondContact O-CG 3.44Å; I477-L481 PolarHBondContact O-N 2.95Å
478A90.5Very high90.2Very high54 Ų54100.7 Ų100.745%0.44650%0.502SS..Hα-helixtrans-61.1-43.5178.700000111.7L474 F475 L481 L482L474-A478 WeakPolarHBondContact O-CB 3.33Å; L474-A478 PolarHBondContact O-N 3.44Å; F475-A478 PolarHBondContact O-N 3.37Å; A478-L481 PolarHBondContact O-N 3.23Å; A478-L482 WeakPolarHBondContact O-CB 3.41Å; A478-L482 PolarHBondContact O-N 3.35Å
479W88.2Confident89.7Confident53 Ų5395 Ų9520%0.20148%0.481CS..Hα-helixtrans-62.4-43.3176.9-175.1-115.4000112.1F475 I477 L481 L482 I483 V492 W493F475-W479 WeakPolarHBondContact O-CB 3.25Å; F475-W479 PolarHBondContact O-N 3.01Å; I477-W479 VanDerWaalsContact C-N 3.34Å; I477-W479 PolarHBondContact O-N 3.39Å; W479-L481 PolarHBondContact O-N 3.18Å; W479-L482 HydrophobicContact CE3-CD2 3.91Å; W479-L482 HydrophobicContact CH2-CD2 4.48Å; W479-L482 HydrophobicContact CZ3-CD2 3.7Å; W479-L482 PolarHBondContact O-N 3.45Å; W479-I483 HydrophobicContact CD2-CD1 4.35Å; W479-I483 HydrophobicContact CD2-CG1 4.43Å; W479-I483 HydrophobicContact CG-CD1 4.3Å; W479-I483 HydrophobicContact CZ2-CD1 4.23Å; W479-I483 HydrophobicContact CZ2-CG1 4.33Å; W479-I483 WeakPolarHBondContact O-CG1 3.24Å; W479-I483 PolarHBondContact O-N 2.92Å; W479-V492 HydrophobicContact CH2-CG1 4.25Å; W479-W493 AromaticContact CD1-CE3 3.99Å; W479-W493 AromaticContact CD1-CZ3 3.93Å; W479-W493 AromaticContact CE2-CE3 3.71Å; W479-W493 HydrophobicContact CZ2-CB 4.02Å; W479-W493 AromaticContact CZ2-CE3 3.92Å; W479-W493 HydrophobicContact CZ2-CE3 3.92Å; W479-W493 AromaticContact NE1-CD2 3.56Å; W479-W493 AromaticContact NE1-CE3 2.94Å; W479-W493 AromaticContact NE1-CZ3 3.26Å; W479-W493 VanDerWaalsContact NE1-CZ3 3.26Å
480R88.3Confident89.3Confident199 Ų19992.7 Ų92.775%0.75146%0.463SS*.Hα-helixtrans-61-42.3175.1-175.9173.8-178.9174.10.3112.3L476 I477 L482 A484L476-R480 VanDerWaalsContact O-CB 3.3Å; L476-R480 WeakPolarHBondContact O-CB 3.48Å; L476-R480 PolarHBondContact O-N 3.11Å; I477-R480 PolarHBondContact O-N 3.48Å; R480-L482 VanDerWaalsContact C-N 3.31Å; R480-L482 PolarHBondContact O-N 3.46Å; R480-A484 WeakPolarHBondContact O-CB 3.49Å; R480-A484 PolarHBondContact O-N 3.15Å; R480-A484 VanDerWaalsContact O-N 3.1Å
481L90Very high89.2Confident105 Ų10590.9 Ų90.955%0.5546%0.459SS..Hα-helixtrans-65.2-35.9176.3-69.1172.3000112.1I477 A478 W479 R485I477-L481 HydrophobicContact CG2-CD1 4.23Å; I477-L481 WeakPolarHBondContact O-CG 3.44Å; I477-L481 PolarHBondContact O-N 2.95Å; A478-L481 PolarHBondContact O-N 3.23Å; W479-L481 PolarHBondContact O-N 3.18Å; L481-R485 PolarHBondContact O-N 3.45Å
482L89.4Confident89Confident88 Ų8890.8 Ų90.846%0.46146%0.461SS..Hα-helixtrans-74-42.1179.9-174.9133.7000112.1A478 W479 R480 A484 R485 S486 A489A478-L482 WeakPolarHBondContact O-CB 3.41Å; A478-L482 PolarHBondContact O-N 3.35Å; W479-L482 HydrophobicContact CE3-CD2 3.91Å; W479-L482 HydrophobicContact CH2-CD2 4.48Å; W479-L482 HydrophobicContact CZ3-CD2 3.7Å; W479-L482 PolarHBondContact O-N 3.45Å; R480-L482 VanDerWaalsContact C-N 3.31Å; R480-L482 PolarHBondContact O-N 3.46Å; L482-A484 VanDerWaalsContact C-N 3.29Å; L482-A484 PolarHBondContact O-N 2.88Å; L482-R485 PolarHBondContact O-N 3.38Å; L482-R485 VanDerWaalsContact O-N 3.14Å; L482-S486 WeakPolarHBondContact O-CB 3.38Å; L482-S486 PolarHBondContact O-N 2.92Å; L482-A489 HydrophobicContact CD2-CB 3.26Å; L482-A489 HydrophobicContact CG-CB 4.25Å
483I87.2Confident88.6Confident34 Ų3492 Ų9217%0.17446%0.457CS..Hα-helixtrans-57.7-41.6170.2-73.3176.8000111.3W479 R485 A489 R490 W493W479-I483 HydrophobicContact CD2-CD1 4.35Å; W479-I483 HydrophobicContact CD2-CG1 4.43Å; W479-I483 HydrophobicContact CG-CD1 4.3Å; W479-I483 HydrophobicContact CZ2-CD1 4.23Å; W479-I483 HydrophobicContact CZ2-CG1 4.33Å; W479-I483 WeakPolarHBondContact O-CG1 3.24Å; W479-I483 PolarHBondContact O-N 2.92Å; I483-R485 PolarHBondContact O-N 3.39Å; I483-A489 HydrophobicContact CG1-CB 4.41Å; I483-R490 HydrophobicContact CG2-CG 3.73Å; I483-R490 WeakPolarHBondContact O-CG 3.18Å; I483-R490 PolarHBondContact O-NH1 2.93Å; I483-W493 HydrophobicContact CD1-CB 3.76Å; I483-W493 HydrophobicContact CD1-CD2 3.85Å; I483-W493 HydrophobicContact CD1-CE3 4.41Å; I483-W493 HydrophobicContact CD1-CG 3.55Å; I483-W493 HydrophobicContact CG1-CB 4.33Å
484A85.9Confident88.2Confident72 Ų7296.6 Ų96.660%0.59547%0.469SS*.Hα-helixtrans-62-31.7179.100000112.2R480 L482 R490R480-A484 WeakPolarHBondContact O-CB 3.49Å; R480-A484 PolarHBondContact O-N 3.15Å; R480-A484 VanDerWaalsContact O-N 3.1Å; L482-A484 VanDerWaalsContact C-N 3.29Å; L482-A484 PolarHBondContact O-N 2.88Å; A484-R490 PolarHBondContact O-NH1 3.36Å
485R88.1Confident88Confident223 Ų22398.9 Ų98.984%0.84248%0.475SS*.Hα-helixtrans-103.6-16.2-173.4-66.8-175.2176.5-175.2-1.1115.4L481 L482 I483L481-R485 PolarHBondContact O-N 3.45Å; L482-R485 PolarHBondContact O-N 3.38Å; L482-R485 VanDerWaalsContact O-N 3.14Å; I483-R485 PolarHBondContact O-N 3.39Å
486S88.5Confident87.7Confident41 Ų4196.2 Ų96.229%0.28747%0.466SS..  trans-127121.8-173.7175.70000112.7L482 M488 A489 R490L482-S486 WeakPolarHBondContact O-CB 3.38Å; L482-S486 PolarHBondContact O-N 2.92Å; S486-M488 VanDerWaalsContact C-N 3.32Å; S486-M488 PolarHBondContact O-N 3.31Å; S486-M488 PolarHBondContact OG-N 2.9Å; S486-A489 PolarHBondContact O-N 3.49Å; S486-A489 PolarHBondContact OG-N 3.34Å; S486-R490 PolarHBondContact O-N 3.49Å; S486-R490 VanDerWaalsContact O-N 3.15Å
487Q86.3Confident87.4Confident106 Ų10694.9 Ų94.950%0.49546%0.462SS..Hα-helixtrans-62.5-39.4173.5-175.564.228.100111.8A489 R490 N491Q487-A489 VanDerWaalsContact C-N 3.3Å; Q487-A489 PolarHBondContact O-N 3.39Å; Q487-R490 WeakPolarHBondContact O-CB 3.49Å; Q487-R490 PolarHBondContact O-N 2.95Å; Q487-N491 PolarHBondContact NE2-OD1 3.25Å; Q487-N491 VanDerWaalsContact NE2-OD1 3.16Å; Q487-N491 VanDerWaalsContact O-CG 3.31Å; Q487-N491 PolarHBondContact O-N 2.8Å; Q487-N491 PolarHBondContact O-OD1 3.41Å
488M86.9Confident87.1Confident144 Ų14492.9 Ų92.971%0.70946%0.457SS*.Hα-helixtrans-59.5-42.9176.8-172.3179.8108.500111.1S486 N491 V492S486-M488 VanDerWaalsContact C-N 3.32Å; S486-M488 PolarHBondContact O-N 3.31Å; S486-M488 PolarHBondContact OG-N 2.9Å; M488-N491 PolarHBondContact O-N 3.35Å; M488-V492 WeakPolarHBondContact O-CG2 3.37Å; M488-V492 PolarHBondContact O-N 2.89Å
489A83.5Confident86.9Confident6 Ų696.3 Ų96.35%0.0546%0.462CS..Hα-helixtrans-65.4-39.3177.500000113.4L482 I483 S486 Q487 N491 V492 W493L482-A489 HydrophobicContact CD2-CB 3.26Å; L482-A489 HydrophobicContact CG-CB 4.25Å; I483-A489 HydrophobicContact CG1-CB 4.41Å; S486-A489 PolarHBondContact O-N 3.49Å; S486-A489 PolarHBondContact OG-N 3.34Å; Q487-A489 VanDerWaalsContact C-N 3.3Å; Q487-A489 PolarHBondContact O-N 3.39Å; A489-N491 VanDerWaalsContact C-N 3.34Å; A489-V492 PolarHBondContact O-N 3.22Å; A489-W493 WeakPolarHBondContact O-CB 3.39Å; A489-W493 PolarHBondContact O-N 3.39Å
490R87Confident86.7Confident78 Ų7896.8 Ų96.829%0.29447%0.473SS..Hα-helixtrans-57.5-48.6171.9-74.1-172.6-73.6-99.714110.8I483 A484 S486 Q487 V492 W493 F494I483-R490 HydrophobicContact CG2-CG 3.73Å; I483-R490 WeakPolarHBondContact O-CG 3.18Å; I483-R490 PolarHBondContact O-NH1 2.93Å; A484-R490 PolarHBondContact O-NH1 3.36Å; S486-R490 PolarHBondContact O-N 3.49Å; S486-R490 VanDerWaalsContact O-N 3.15Å; Q487-R490 WeakPolarHBondContact O-CB 3.49Å; Q487-R490 PolarHBondContact O-N 2.95Å; R490-V492 PolarHBondContact O-N 2.97Å; R490-W493 WeakPolarHBondContact O-CB 3.35Å; R490-W493 PolarHBondContact O-N 2.92Å; R490-F494 HydrophobicContact CB-CD2 4.46Å; R490-F494 HydrophobicContact CB-CE2 4.43Å; R490-F494 WeakPolarHBondContact O-CD2 3.32Å; R490-F494 PolarHBondContact O-N 3.45Å
491N88.4Confident86.6Confident93 Ų9395.7 Ų95.750%0.49747%0.47SS..Hα-helixtrans-61-44.9-179.6-65.9-5.2000111.6Q487 M488 A489 W493 F494 F495Q487-N491 PolarHBondContact NE2-OD1 3.25Å; Q487-N491 VanDerWaalsContact NE2-OD1 3.16Å; Q487-N491 VanDerWaalsContact O-CG 3.31Å; Q487-N491 PolarHBondContact O-N 2.8Å; Q487-N491 PolarHBondContact O-OD1 3.41Å; M488-N491 PolarHBondContact O-N 3.35Å; A489-N491 VanDerWaalsContact C-N 3.34Å; N491-W493 VanDerWaalsContact C-N 3.35Å; N491-W493 PolarHBondContact O-N 3.5Å; N491-F494 PolarHBondContact O-N 2.86Å; N491-F495 WeakPolarHBondContact O-CB 3.3Å; N491-F495 PolarHBondContact O-N 2.9Å
492V86.4Confident86.3Confident63 Ų6397.1 Ų97.138%0.38247%0.471SS..Hα-helixtrans-61.1-43.3174.9171.60000111.3W479 M488 A489 R490 F495 I496W479-V492 HydrophobicContact CH2-CG1 4.25Å; M488-V492 WeakPolarHBondContact O-CG2 3.37Å; M488-V492 PolarHBondContact O-N 2.89Å; A489-V492 PolarHBondContact O-N 3.22Å; R490-V492 PolarHBondContact O-N 2.97Å; V492-F495 WeakPolarHBondContact O-CB 3.37Å; V492-F495 PolarHBondContact O-N 3.44Å; V492-I496 HydrophobicContact CG1-CD1 3.81Å; V492-I496 HydrophobicContact CG1-CG1 4.44Å; V492-I496 WeakPolarHBondContact O-CG1 3.45Å; V492-I496 PolarHBondContact O-N 2.98Å
493W84.9Confident86Confident101 Ų10198.5 Ų98.538%0.38347%0.474SS..Hα-helixtrans-61.9-48.2177.4179.6-111.3000112.4W479 I483 A489 R490 N491 F495 I496 V497W479-W493 AromaticContact CD1-CE3 3.99Å; W479-W493 AromaticContact CD1-CZ3 3.93Å; W479-W493 AromaticContact CE2-CE3 3.71Å; W479-W493 HydrophobicContact CZ2-CB 4.02Å; W479-W493 AromaticContact CZ2-CE3 3.92Å; W479-W493 HydrophobicContact CZ2-CE3 3.92Å; W479-W493 AromaticContact NE1-CD2 3.56Å; W479-W493 AromaticContact NE1-CE3 2.94Å; W479-W493 AromaticContact NE1-CZ3 3.26Å; W479-W493 VanDerWaalsContact NE1-CZ3 3.26Å; I483-W493 HydrophobicContact CD1-CB 3.76Å; I483-W493 HydrophobicContact CD1-CD2 3.85Å; I483-W493 HydrophobicContact CD1-CE3 4.41Å; I483-W493 HydrophobicContact CD1-CG 3.55Å; I483-W493 HydrophobicContact CG1-CB 4.33Å; A489-W493 WeakPolarHBondContact O-CB 3.39Å; A489-W493 PolarHBondContact O-N 3.39Å; R490-W493 WeakPolarHBondContact O-CB 3.35Å; R490-W493 PolarHBondContact O-N 2.92Å; N491-W493 VanDerWaalsContact C-N 3.35Å; N491-W493 PolarHBondContact O-N 3.5Å; W493-F495 VanDerWaalsContact C-N 3.28Å; W493-F495 PolarHBondContact O-N 2.82Å; W493-I496 PolarHBondContact O-N 3.31Å; W493-V497 HydrophobicContact CD2-CG2 3.94Å; W493-V497 HydrophobicContact CE3-CG2 4.42Å; W493-V497 HydrophobicContact CG-CG2 4.38Å; W493-V497 HydrophobicContact CH2-CG2 4.41Å; W493-V497 HydrophobicContact CZ2-CG2 3.85Å; W493-V497 WeakPolarHBondContact O-CG2 3.4Å; W493-V497 PolarHBondContact O-N 3.43Å
494F85.9Confident85.7Confident141 Ų141102.3 Ų102.362%0.61849%0.494SS*.Hα-helixtrans-59-40.6176-80.4-65.9000111.8R490 N491 S498R490-F494 HydrophobicContact CB-CD2 4.46Å; R490-F494 HydrophobicContact CB-CE2 4.43Å; R490-F494 WeakPolarHBondContact O-CD2 3.32Å; R490-F494 PolarHBondContact O-N 3.45Å; N491-F494 PolarHBondContact O-N 2.86Å; F494-S498 WeakPolarHBondContact O-CB 3.49Å; F494-S498 PolarHBondContact O-N 3.29Å
495F86.9Confident85.5Confident151 Ų151101.6 Ų101.666%0.66248%0.484SS*.Hα-helixtrans-61.4-48175-178.5-95.7000112.2N491 V492 W493 S498 F499N491-F495 WeakPolarHBondContact O-CB 3.3Å; N491-F495 PolarHBondContact O-N 2.9Å; V492-F495 WeakPolarHBondContact O-CB 3.37Å; V492-F495 PolarHBondContact O-N 3.44Å; W493-F495 VanDerWaalsContact C-N 3.28Å; W493-F495 PolarHBondContact O-N 2.82Å; F495-S498 PolarHBondContact O-N 3.45Å; F495-F499 WeakPolarHBondContact O-CB 3.39Å; F495-F499 PolarHBondContact O-N 2.93Å
496I85.7Confident85Confident73 Ų7399.7 Ų99.737%0.37448%0.479SS..Hα-helixtrans-61.3-48.3177.8-68.1166.4000111V492 W493 S498 F499 C500V492-I496 HydrophobicContact CG1-CD1 3.81Å; V492-I496 HydrophobicContact CG1-CG1 4.44Å; V492-I496 WeakPolarHBondContact O-CG1 3.45Å; V492-I496 PolarHBondContact O-N 2.98Å; W493-I496 PolarHBondContact O-N 3.31Å; I496-S498 VanDerWaalsContact C-N 3.33Å; I496-S498 PolarHBondContact O-N 3.33Å; I496-F499 PolarHBondContact O-N 3.03Å; I496-C500 PolarHBondContact O-N 3.23Å; I496-C500 PolarHBondContact O-SG 3.38Å; I496-C500 VanDerWaalsContact O-SG 3.39Å
497V85.8Confident84.3Confident66 Ų66103.6 Ų103.640%0.449%0.491SS..Hα-helixtrans-62.3-42.4-1801730000110.8W493 C500 Y501W493-V497 HydrophobicContact CD2-CG2 3.94Å; W493-V497 HydrophobicContact CE3-CG2 4.42Å; W493-V497 HydrophobicContact CG-CG2 4.38Å; W493-V497 HydrophobicContact CH2-CG2 4.41Å; W493-V497 HydrophobicContact CZ2-CG2 3.85Å; W493-V497 WeakPolarHBondContact O-CG2 3.4Å; W493-V497 PolarHBondContact O-N 3.43Å; V497-C500 PolarHBondContact O-N 2.94Å; V497-Y501 WeakPolarHBondContact O-CB 3.17Å; V497-Y501 PolarHBondContact O-N 2.97Å
498S85.8Confident83.4Confident60 Ų60108.3 Ų108.342%0.4250%0.504SS..Hα-helixtrans-62.6-42.1175.3-177.50000112.1F494 F495 I496 Y501 K502F494-S498 WeakPolarHBondContact O-CB 3.49Å; F494-S498 PolarHBondContact O-N 3.29Å; F495-S498 PolarHBondContact O-N 3.45Å; I496-S498 VanDerWaalsContact C-N 3.33Å; I496-S498 PolarHBondContact O-N 3.33Å; S498-Y501 PolarHBondContact O-N 3.32Å; S498-K502 WeakPolarHBondContact O-CG 3.33Å; S498-K502 PolarHBondContact O-N 3.41Å
499F85.2Confident82.2Confident125 Ų125104.3 Ų104.355%0.54849%0.494SS..Hα-helixtrans-65.1-46.5176.2-170.8-94.2000112.2F495 I496 Y501 K502 F503F495-F499 WeakPolarHBondContact O-CB 3.39Å; F495-F499 PolarHBondContact O-N 2.93Å; I496-F499 PolarHBondContact O-N 3.03Å; F499-Y501 VanDerWaalsContact C-N 3.3Å; F499-Y501 PolarHBondContact O-N 3.38Å; F499-K502 PolarHBondContact O-N 2.9Å; F499-F503 WeakPolarHBondContact O-CB 3.37Å; F499-F503 PolarHBondContact O-N 3.48Å
500C85Confident80.9Confident64 Ų64107.4 Ų107.443%0.43252%0.515SS..Hα-helixtrans-60.3-40.3175.1-71.70000111.9I496 V497 F503 L504I496-C500 PolarHBondContact O-N 3.23Å; I496-C500 PolarHBondContact O-SG 3.38Å; I496-C500 VanDerWaalsContact O-SG 3.39Å; V497-C500 PolarHBondContact O-N 2.94Å; C500-F503 PolarHBondContact O-N 2.89Å; C500-L504 WeakPolarHBondContact O-CB 3.4Å; C500-L504 WeakPolarHBondContact O-CG 3.48Å; C500-L504 PolarHBondContact O-N 3.46Å
501Y85.9Confident79.4Confident176 Ų176108.1 Ų108.169%0.6953%0.532SS*.Hα-helixtrans-61.9-47175.3-177.3-94.4000111.7V497 S498 F499 F503 L504 S505V497-Y501 WeakPolarHBondContact O-CB 3.17Å; V497-Y501 PolarHBondContact O-N 2.97Å; S498-Y501 PolarHBondContact O-N 3.32Å; F499-Y501 VanDerWaalsContact C-N 3.3Å; F499-Y501 PolarHBondContact O-N 3.38Å; Y501-F503 PolarHBondContact O-N 3.19Å; Y501-L504 PolarHBondContact O-N 2.99Å; Y501-S505 PolarHBondContact O-N 2.89Å; Y501-S505 PolarHBondContact O-OG 3.49Å
502K84.3Confident77.9Confident135 Ų135109 Ų10959%0.58754%0.54SS*.Hα-helixtrans-61.6-39.3174.8-76.3-176179-176.20113.1S498 F499 S505 Y506S498-K502 WeakPolarHBondContact O-CG 3.33Å; S498-K502 PolarHBondContact O-N 3.41Å; F499-K502 PolarHBondContact O-N 2.9Å; K502-S505 WeakPolarHBondContact CA-OG 3.46Å; K502-S505 PolarHBondContact O-N 2.89Å; K502-S505 PolarHBondContact O-OG 3.45Å; K502-Y506 PolarHBondContact O-N 3.36Å; K502-Y506 VanDerWaalsContact O-N 3.11Å
503F81.6Confident76.1Confident117 Ų117112.9 Ų112.951%0.51356%0.559SS.*Hα-helixtrans-66.4-46.4177.5-171.4-97.8000111.3F499 C500 Y501 S505 Y506 F507F499-F503 WeakPolarHBondContact O-CB 3.37Å; F499-F503 PolarHBondContact O-N 3.48Å; C500-F503 PolarHBondContact O-N 2.89Å; Y501-F503 PolarHBondContact O-N 3.19Å; F503-S505 VanDerWaalsContact C-N 3.34Å; F503-S505 PolarHBondContact O-N 3.42Å; F503-Y506 WeakPolarHBondContact O-CB 3.11Å; F503-Y506 PolarHBondContact O-N 3.1Å; F503-Y506 VanDerWaalsContact O-N 3.15Å; F503-F507 AromaticContact CD1-CD2 3.99Å; F503-F507 HydrophobicContact CD1-CD2 3.99Å; F503-F507 AromaticContact CD1-CE2 3.95Å; F503-F507 HydrophobicContact CD1-CE2 3.95Å; F503-F507 HydrophobicContact CD2-CE2 4.44Å; F503-F507 AromaticContact CE1-CD2 3.77Å; F503-F507 HydrophobicContact CE1-CD2 3.77Å; F503-F507 AromaticContact CE1-CE2 3.32Å; F503-F507 HydrophobicContact CE1-CE2 3.32Å; F503-F507 HydrophobicContact CE1-CZ 4.28Å; F503-F507 AromaticContact CE2-CE2 3.89Å; F503-F507 HydrophobicContact CE2-CE2 3.89Å; F503-F507 HydrophobicContact CG-CE2 4.49Å; F503-F507 HydrophobicContact CZ-CD2 4.18Å; F503-F507 AromaticContact CZ-CE2 3.31Å; F503-F507 HydrophobicContact CZ-CE2 3.31Å; F503-F507 HydrophobicContact CZ-CZ 4.09Å; F503-F507 WeakPolarHBondContact O-CD2 3.46Å; F503-F507 PolarHBondContact O-N 3.16Å
504L81Confident73.8Confident113 Ų113117.2 Ų117.259%0.59258%0.58SS**Hα-helixtrans-63.5-36.8175.9-74168.6000112.6C500 Y501 Y506 F507 R508C500-L504 WeakPolarHBondContact O-CB 3.4Å; C500-L504 WeakPolarHBondContact O-CG 3.48Å; C500-L504 PolarHBondContact O-N 3.46Å; Y501-L504 PolarHBondContact O-N 2.99Å; L504-Y506 VanDerWaalsContact C-N 3.29Å; L504-Y506 PolarHBondContact O-N 3.36Å; L504-F507 PolarHBondContact O-N 3.27Å; L504-R508 PolarHBondContact O-N 3.15Å
505S81.6Confident71.8Confident57 Ų57120.9 Ų120.940%0.39961%0.613SS.*Hα-helixtrans-65.4-34.1174.3640000112Y501 K502 F503 R508 A509Y501-S505 PolarHBondContact O-N 2.89Å; Y501-S505 PolarHBondContact O-OG 3.49Å; K502-S505 WeakPolarHBondContact CA-OG 3.46Å; K502-S505 PolarHBondContact O-N 2.89Å; K502-S505 PolarHBondContact O-OG 3.45Å; F503-S505 VanDerWaalsContact C-N 3.34Å; F503-S505 PolarHBondContact O-N 3.42Å; S505-R508 PolarHBondContact O-N 3.2Å; S505-A509 WeakPolarHBondContact O-CB 3.32Å; S505-A509 PolarHBondContact O-N 3.32Å
506Y79.4Confident71Confident184 Ų184119.4 Ų119.472%0.72261%0.611SS**Hα-helixtrans-65.4-41.2175.3-136.6-87.1000112.4K502 F503 L504 A509 S510K502-Y506 PolarHBondContact O-N 3.36Å; K502-Y506 VanDerWaalsContact O-N 3.11Å; F503-Y506 WeakPolarHBondContact O-CB 3.11Å; F503-Y506 PolarHBondContact O-N 3.1Å; F503-Y506 VanDerWaalsContact O-N 3.15Å; L504-Y506 VanDerWaalsContact C-N 3.29Å; L504-Y506 PolarHBondContact O-N 3.36Å; Y506-A509 PolarHBondContact O-N 3.31Å; Y506-S510 WeakPolarHBondContact O-CB 3.42Å; Y506-S510 PolarHBondContact O-N 3.45Å
507F73.1Confident70.3Confident123 Ų123121.8 Ų121.854%0.53962%0.623SS.*Hα-helixtrans-69.7-38.2174.9-84.9-85.7000113F503 L504 A509 S510 S511F503-F507 AromaticContact CD1-CD2 3.99Å; F503-F507 HydrophobicContact CD1-CD2 3.99Å; F503-F507 AromaticContact CD1-CE2 3.95Å; F503-F507 HydrophobicContact CD1-CE2 3.95Å; F503-F507 HydrophobicContact CD2-CE2 4.44Å; F503-F507 AromaticContact CE1-CD2 3.77Å; F503-F507 HydrophobicContact CE1-CD2 3.77Å; F503-F507 AromaticContact CE1-CE2 3.32Å; F503-F507 HydrophobicContact CE1-CE2 3.32Å; F503-F507 HydrophobicContact CE1-CZ 4.28Å; F503-F507 AromaticContact CE2-CE2 3.89Å; F503-F507 HydrophobicContact CE2-CE2 3.89Å; F503-F507 HydrophobicContact CG-CE2 4.49Å; F503-F507 HydrophobicContact CZ-CD2 4.18Å; F503-F507 AromaticContact CZ-CE2 3.31Å; F503-F507 HydrophobicContact CZ-CE2 3.31Å; F503-F507 HydrophobicContact CZ-CZ 4.09Å; F503-F507 WeakPolarHBondContact O-CD2 3.46Å; F503-F507 PolarHBondContact O-N 3.16Å; L504-F507 PolarHBondContact O-N 3.27Å; F507-A509 VanDerWaalsContact C-N 3.26Å; F507-A509 PolarHBondContact O-N 3.02Å; F507-S510 PolarHBondContact O-N 3.49Å; F507-S511 PolarHBondContact O-N 3.36Å; F507-S511 PolarHBondContact O-OG 3.24Å
508R66.5Low69.4Low205 Ų205124.9 Ų124.977%0.77464%0.636SS**Hα-helixtrans-59.5-40171.8-82.5-174174.5-174.9-1.7111.5L504 S505 S511 T512L504-R508 PolarHBondContact O-N 3.15Å; S505-R508 PolarHBondContact O-N 3.2Å; R508-S511 PolarHBondContact O-OG 3.4Å; R508-S511 VanDerWaalsContact O-OG 3.04Å; R508-T512 PolarHBondContact O-OG1 2.89Å
509A63Low68.4Low59 Ų59128.7 Ų128.749%0.48865%0.649SS.*Hα-helixtrans-70.8-29.2175.500000113.6S505 Y506 F507 T512S505-A509 WeakPolarHBondContact O-CB 3.32Å; S505-A509 PolarHBondContact O-N 3.32Å; Y506-A509 PolarHBondContact O-N 3.31Å; F507-A509 VanDerWaalsContact C-N 3.26Å; F507-A509 PolarHBondContact O-N 3.02Å; A509-T512 VanDerWaalsContact C-OG1 3.31Å; A509-T512 PolarHBondContact O-OG1 3.29Å
510S56.4Low67.4Low71 Ų71128.9 Ų128.950%0.49766%0.655SS.*Hα-helixtrans-82.2-31.5177.3178.60000113.6Y506 F507 T512 L513Y506-S510 WeakPolarHBondContact O-CB 3.42Å; Y506-S510 PolarHBondContact O-N 3.45Å; F507-S510 PolarHBondContact O-N 3.49Å; S510-T512 PolarHBondContact O-N 3.02Å; S510-L513 PolarHBondContact O-N 3.14Å; S510-L513 VanDerWaalsContact O-N 3.14Å
511S55.1Low66.2Low93 Ų93133.3 Ų133.365%0.6567%0.67SS**Hα-helixtrans-67.7-19.9175.155.60000113.3F507 R508 L513F507-S511 PolarHBondContact O-N 3.36Å; F507-S511 PolarHBondContact O-OG 3.24Å; R508-S511 PolarHBondContact O-OG 3.4Å; R508-S511 VanDerWaalsContact O-OG 3.04Å; S511-L513 PolarHBondContact O-N 3.41Å
512T55.9Low64.8Low111 Ų111130.2 Ų130.268%0.68167%0.668SS**THydrogen-bonded Turntrans-79.92.2173.136.50000113.9R508 A509 S510R508-T512 PolarHBondContact O-OG1 2.89Å; A509-T512 VanDerWaalsContact C-OG1 3.31Å; A509-T512 PolarHBondContact O-OG1 3.29Å; S510-T512 PolarHBondContact O-N 3.02Å
513L48.3Very low63.3Low146 Ų146129.8 Ų129.876%0.76467%0.674SS**THydrogen-bonded Turntrans-108.423.6-178.7-82.8162.4000114.7S510 S511S510-L513 PolarHBondContact O-N 3.14Å; S510-L513 VanDerWaalsContact O-N 3.14Å; S511-L513 PolarHBondContact O-N 3.41Å
514K38Very low61.8Low192 Ų192130.9 Ų130.984%0.83569%0.688SS**  trans-13083.5166.8-78.5-170.5177.1-176.20110.8
515V42.9Very low60Low217 Ų217132.5 Ų132.5100%1.31570%0.697SS**  -164.70119.8168.40000106.2

Retrieved 515 of 515 residues in 1026.4 ms (Link to these results)

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