G4LYL3_SCHMA Loading...

Glutamyl-tRNA(Gln) amidotransferase subunit A,putative

AlphaFold DB , UniProt , Accession G4LYL3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 540 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
1M46.8Very low82.9Confident150 Ų15050.3 Ų50.374%0.73925%0.246SC*.  0133.80-74.5176.1-167.200110.2R3 L285 H523M1-R3 PolarHBondContact O-N 3Å; M1-R3 VanDerWaalsContact O-N 3.16Å; M1-L285 HydrophobicContact CE-CD1 3.97Å; M1-L285 HydrophobicContact SD-CD1 4.09Å; M1-H523 VanDerWaalsContact CG-CD2 3.48Å; M1-H523 WeakPolarHBondContact CG-CD2 3.42Å
2S53.1Low83.7Confident83 Ų8346.6 Ų46.658%0.5823%0.229SC*.  trans-64.9107.2166.1175.10000107.5
3R71.3Confident84.3Confident172 Ų17244.9 Ų44.965%0.64922%0.221SC*.  trans-67.4143.2167.3-72.4-178.4177.2174.5-1.4107.3M1 C5M1-R3 PolarHBondContact O-N 3Å; M1-R3 VanDerWaalsContact O-N 3.16Å; R3-C5 PolarHBondContact O-N 3.42Å
4S85.5Confident84.6Confident0 Ų048.5 Ų48.50%024%0.241CC..  trans-43131.4171.7158.50000110.9I6 Y7 H8 D239 A281S4-I6 VanDerWaalsContact C-N 3.28Å; S4-I6 PolarHBondContact OG-N 3.45Å; S4-Y7 PolarHBondContact O-N 2.68Å; S4-Y7 PolarHBondContact OG-N 3.4Å; S4-H8 VanDerWaalsContact O-CB 3.31Å; S4-H8 WeakPolarHBondContact O-CB 3.29Å; S4-H8 PolarHBondContact O-N 3.09Å; S4-D239 WeakPolarHBondContact CA-OD1 3.24Å; S4-D239 WeakPolarHBondContact CB-OD1 3.12Å; S4-D239 PolarHBondContact OG-OD1 3.02Å; S4-A281 VanDerWaalsContact CB-O 3.28Å; S4-A281 WeakPolarHBondContact CB-O 3.45Å
5C94.3Very high85Confident9 Ų949.2 Ų49.26%0.06125%0.253CS..Hα-helixtrans-64.6-38.9174.2-65.50000110.3R3 H8 L9 L185 D239 H533 I537R3-C5 PolarHBondContact O-N 3.42Å; C5-H8 PolarHBondContact O-N 3.15Å; C5-L9 WeakPolarHBondContact O-CB 3.21Å; C5-L9 PolarHBondContact O-N 3.47Å; C5-L185 HydrophobicContact CB-CD2 4.24Å; C5-D239 PolarHBondContact N-OD1 3.41Å; C5-H533 HydrophobicContact CB-CB 4.2Å; C5-I537 HydrophobicContact CB-CD1 3.82Å; C5-I537 WeakPolarHBondContact O-CD1 3.42Å
6I95.8Very high85Confident0 Ų058.1 Ų58.10%029%0.289CS..Hα-helixtrans-60.7-49.6174.1-66.7177.6000110.7S4 H8 L9 H10 M77 I80 L185 A186 D239 C242 V243S4-I6 VanDerWaalsContact C-N 3.28Å; S4-I6 PolarHBondContact OG-N 3.45Å; I6-H8 PolarHBondContact O-N 3.48Å; I6-L9 PolarHBondContact O-N 3.39Å; I6-H10 VanDerWaalsContact O-CB 3.28Å; I6-H10 WeakPolarHBondContact O-CB 3.33Å; I6-H10 PolarHBondContact O-N 3.42Å; I6-M77 HydrophobicContact CD1-CE 4.48Å; I6-M77 HydrophobicContact CD1-SD 4.32Å; I6-M77 HydrophobicContact CG2-SD 4.18Å; I6-I80 HydrophobicContact CD1-CG2 4.2Å; I6-I80 HydrophobicContact CG1-CG2 3.96Å; I6-I80 HydrophobicContact CG2-CD1 3.92Å; I6-I80 HydrophobicContact CG2-CG1 3.91Å; I6-I80 HydrophobicContact CG2-CG2 4.31Å; I6-L185 HydrophobicContact CG1-CB 4.05Å; I6-L185 HydrophobicContact CG1-CD1 4.49Å; I6-A186 HydrophobicContact CD1-CB 4.2Å; I6-D239 HydrophobicContact CD1-CB 3.89Å; I6-D239 HydrophobicContact CG1-CB 4.21Å; I6-D239 WeakPolarHBondContact CG1-OD1 3.47Å; I6-D239 PolarHBondContact N-OD1 3.27Å; I6-C242 HydrophobicContact CB-CB 4.18Å; I6-C242 HydrophobicContact CD1-CB 4Å; I6-C242 HydrophobicContact CG2-CB 3.73Å; I6-V243 HydrophobicContact CD1-CG2 4.23Å
7Y92.9Very high85.3Confident63 Ų6364.6 Ų64.625%0.24731%0.309CS..Hα-helixtrans-65.4-38.1179.1-172-96.8000112.5S4 H10 S11 L76 K282S4-Y7 PolarHBondContact O-N 2.68Å; S4-Y7 PolarHBondContact OG-N 3.4Å; Y7-H10 PolarHBondContact O-N 2.94Å; Y7-S11 WeakPolarHBondContact CE1-OG 3.38Å; Y7-S11 WeakPolarHBondContact O-CB 3.47Å; Y7-S11 PolarHBondContact O-N 3.23Å; Y7-S11 PolarHBondContact O-OG 2.79Å; Y7-L76 HydrophobicContact CD2-CD2 3.87Å; Y7-L76 HydrophobicContact CE2-CD2 4.22Å; Y7-K282 HydrophobicContact CD2-CG 4.05Å; Y7-K282 HydrophobicContact CE1-CG 4.49Å; Y7-K282 HydrophobicContact CE2-CB 4.42Å; Y7-K282 HydrophobicContact CE2-CG 3.49Å; Y7-K282 VanDerWaalsContact CE2-CG 3.49Å
8H93.6Very high85.7Confident29 Ų2961.7 Ų61.713%0.13430%0.296CS..Hα-helixtrans-61.3-48.5174.7179.865000111.3S4 C5 I6 S11 S12 D538S4-H8 VanDerWaalsContact O-CB 3.31Å; S4-H8 WeakPolarHBondContact O-CB 3.29Å; S4-H8 PolarHBondContact O-N 3.09Å; C5-H8 PolarHBondContact O-N 3.15Å; I6-H8 PolarHBondContact O-N 3.48Å; H8-S11 PolarHBondContact O-N 3.02Å; H8-S12 PolarHBondContact O-N 3.34Å; H8-S12 PolarHBondContact O-OG 2.92Å; H8-D538 IonicContact CD2-OD1 3.83Å; H8-D538 IonicContact CE1-OD1 3.67Å; H8-D538 PolarHBondContact CE1-OD1 3.22Å; H8-D538 IonicContact NE2-OD1 3.68Å; H8-D538 PolarHBondContact NE2-OD1 2.78Å
9L94.9Very high86Confident0 Ų062.6 Ų62.60%030%0.302CS..Hα-helixtrans-62.4-47175.2177.157.1000111.6C5 I6 S11 S12 L13 I18 V23 I80 L185 I537C5-L9 WeakPolarHBondContact O-CB 3.21Å; C5-L9 PolarHBondContact O-N 3.47Å; I6-L9 PolarHBondContact O-N 3.39Å; L9-S11 VanDerWaalsContact C-N 3.32Å; L9-S11 PolarHBondContact O-N 3.39Å; L9-S12 WeakPolarHBondContact O-CB 3.49Å; L9-S12 PolarHBondContact O-N 3.15Å; L9-S12 VanDerWaalsContact O-N 3.1Å; L9-L13 HydrophobicContact CD1-CD1 4.22Å; L9-L13 HydrophobicContact CD1-CG 4.11Å; L9-L13 HydrophobicContact CG-CD1 3.97Å; L9-L13 HydrophobicContact CG-CG 4.36Å; L9-L13 WeakPolarHBondContact O-CG 3.21Å; L9-L13 PolarHBondContact O-N 3.4Å; L9-I18 HydrophobicContact CD1-CD1 3.93Å; L9-I18 HydrophobicContact CD1-CG2 4.12Å; L9-V23 HydrophobicContact CD1-CG2 3.72Å; L9-V23 HydrophobicContact CD2-CG1 3.84Å; L9-V23 HydrophobicContact CD2-CG2 4.33Å; L9-I80 HydrophobicContact CB-CD1 4.18Å; L9-I80 HydrophobicContact CD2-CD1 3.69Å; L9-I80 HydrophobicContact CG-CD1 3.97Å; L9-L185 HydrophobicContact CB-CD1 4.3Å; L9-L185 HydrophobicContact CD2-CD1 3.56Å; L9-I537 HydrophobicContact CB-CD1 4.03Å; L9-I537 HydrophobicContact CB-CG1 4.3Å; L9-I537 HydrophobicContact CB-CG2 4.12Å; L9-I537 HydrophobicContact CD1-CG2 4.02Å
10H92.3Very high86.2Confident14 Ų1461.5 Ų61.57%0.06530%0.3CS..Hα-helixtrans-55.9-45.7177.417977.4000112I6 Y7 S12 L13 L14 P74 D75I6-H10 VanDerWaalsContact O-CB 3.28Å; I6-H10 WeakPolarHBondContact O-CB 3.33Å; I6-H10 PolarHBondContact O-N 3.42Å; Y7-H10 PolarHBondContact O-N 2.94Å; H10-S12 VanDerWaalsContact C-N 3.33Å; H10-S12 PolarHBondContact O-N 3.33Å; H10-L13 PolarHBondContact O-N 3.4Å; H10-L14 WeakPolarHBondContact NE2-CD1 3.47Å; H10-L14 WeakPolarHBondContact O-CB 3.39Å; H10-L14 PolarHBondContact O-N 3.26Å; H10-P74 PolarHBondContact CE1-O 2.93Å; H10-D75 PolarHBondContact CE1-O 2.83Å; H10-D75 PolarHBondContact ND1-O 2.86Å
11S91.4Very high86.5Confident33 Ų3362.6 Ų62.623%0.23131%0.305CS..Hα-helixtrans-62.9-39.2176.4-60.30000112.1Y7 H8 L9 S15Y7-S11 WeakPolarHBondContact CE1-OG 3.38Å; Y7-S11 WeakPolarHBondContact O-CB 3.47Å; Y7-S11 PolarHBondContact O-N 3.23Å; Y7-S11 PolarHBondContact O-OG 2.79Å; H8-S11 PolarHBondContact O-N 3.02Å; L9-S11 VanDerWaalsContact C-N 3.32Å; L9-S11 PolarHBondContact O-N 3.39Å; S11-S15 WeakPolarHBondContact O-CB 3.26Å; S11-S15 PolarHBondContact O-N 3.4Å; S11-S15 PolarHBondContact O-OG 2.94Å; S11-S15 VanDerWaalsContact O-OG 3.1Å
12S92.4Very high88.8Confident6 Ų658 Ų584%0.04228%0.283CS..Hα-helixtrans-67.7-39.7176.5-68.20000112.6H8 L9 H10 S15 K16 R17 I18H8-S12 PolarHBondContact O-N 3.34Å; H8-S12 PolarHBondContact O-OG 2.92Å; L9-S12 WeakPolarHBondContact O-CB 3.49Å; L9-S12 PolarHBondContact O-N 3.15Å; L9-S12 VanDerWaalsContact O-N 3.1Å; H10-S12 VanDerWaalsContact C-N 3.33Å; H10-S12 PolarHBondContact O-N 3.33Å; S12-S15 WeakPolarHBondContact CA-OG 3.37Å; S12-S15 PolarHBondContact O-N 3.49Å; S12-S15 PolarHBondContact O-OG 2.8Å; S12-K16 PolarHBondContact O-N 3.46Å; S12-R17 PolarHBondContact O-N 3.26Å; S12-R17 PolarHBondContact OG-NH2 3.09Å; S12-I18 PolarHBondContact O-N 2.97Å
13L91.1Very high90.7Very high25 Ų2554.1 Ų54.113%0.13126%0.256CS..Hα-helixtrans-62.1-47.4172.6-70.5166.8000111.7L9 H10 S15 K16 I18 P20 V23 T78L9-L13 HydrophobicContact CD1-CD1 4.22Å; L9-L13 HydrophobicContact CD1-CG 4.11Å; L9-L13 HydrophobicContact CG-CD1 3.97Å; L9-L13 HydrophobicContact CG-CG 4.36Å; L9-L13 WeakPolarHBondContact O-CG 3.21Å; L9-L13 PolarHBondContact O-N 3.4Å; H10-L13 PolarHBondContact O-N 3.4Å; L13-S15 VanDerWaalsContact C-N 3.31Å; L13-S15 PolarHBondContact O-N 3.33Å; L13-K16 WeakPolarHBondContact O-CA 3.44Å; L13-K16 PolarHBondContact O-N 3.08Å; L13-I18 HydrophobicContact CD2-CB 4.38Å; L13-I18 HydrophobicContact CD2-CG2 4.02Å; L13-P20 HydrophobicContact CD2-CG 3.9Å; L13-V23 HydrophobicContact CD2-CG2 4.2Å; L13-T78 WeakPolarHBondContact CD1-O 3.38Å
14L88.9Confident91.8Very high95 Ų9547.4 Ų47.450%0.49723%0.231SC..Hα-helixtrans-58.4-42.3176.9-84.2179.9000112.7H10 K16 P74H10-L14 WeakPolarHBondContact NE2-CD1 3.47Å; H10-L14 WeakPolarHBondContact O-CB 3.39Å; H10-L14 PolarHBondContact O-N 3.26Å; L14-K16 PolarHBondContact O-N 3.42Å; L14-P74 HydrophobicContact CD2-CG 3.25Å; L14-P74 HydrophobicContact CG-CG 4.18Å
15S90.3Very high92.2Very high59 Ų5952.5 Ų52.541%0.41325%0.25SC..THydrogen-bonded Turntrans-741176.165.10000114.3S11 S12 L13 R17S11-S15 WeakPolarHBondContact O-CB 3.26Å; S11-S15 PolarHBondContact O-N 3.4Å; S11-S15 PolarHBondContact O-OG 2.94Å; S11-S15 VanDerWaalsContact O-OG 3.1Å; S12-S15 WeakPolarHBondContact CA-OG 3.37Å; S12-S15 PolarHBondContact O-N 3.49Å; S12-S15 PolarHBondContact O-OG 2.8Å; L13-S15 VanDerWaalsContact C-N 3.31Å; L13-S15 PolarHBondContact O-N 3.33Å; S15-R17 PolarHBondContact O-N 2.93Å; S15-R17 VanDerWaalsContact O-N 3.16Å; S15-R17 WeakPolarHBondContact OG-CG 3.24Å; S15-R17 PolarHBondContact OG-NE 3.17Å
16K86.3Confident92.3Very high191 Ų19153.9 Ų53.983%0.8326%0.258SS*.THydrogen-bonded Turntrans55.423.1-173.2-55.4-178.3-179.9178.80114.1S12 L13 L14S12-K16 PolarHBondContact O-N 3.46Å; L13-K16 WeakPolarHBondContact O-CA 3.44Å; L13-K16 PolarHBondContact O-N 3.08Å; L14-K16 PolarHBondContact O-N 3.42Å
17R89.8Confident92.4Very high170 Ų17053.9 Ų53.964%0.64226%0.258SS*.SBendtrans-74.7-32.9174.1-75-174.5-69.6167.94.9111.7S12 S15S12-R17 PolarHBondContact O-N 3.26Å; S12-R17 PolarHBondContact OG-NH2 3.09Å; S15-R17 PolarHBondContact O-N 2.93Å; S15-R17 VanDerWaalsContact O-N 3.16Å; S15-R17 WeakPolarHBondContact OG-CG 3.24Å; S15-R17 PolarHBondContact OG-NE 3.17Å
18I91.7Very high92.5Very high12 Ų1251.2 Ų51.26%0.06225%0.248CC..SBendtrans-119.5140.2177.4-66.7176.5000108.6L9 S12 L13 V23 I537 I540L9-I18 HydrophobicContact CD1-CD1 3.93Å; L9-I18 HydrophobicContact CD1-CG2 4.12Å; S12-I18 PolarHBondContact O-N 2.97Å; L13-I18 HydrophobicContact CD2-CB 4.38Å; L13-I18 HydrophobicContact CD2-CG2 4.02Å; I18-V23 HydrophobicContact CG2-CG2 3.4Å; I18-V23 VanDerWaalsContact CG2-CG2 3.4Å; I18-I537 HydrophobicContact CD1-CG2 3.85Å; I18-I540 HydrophobicContact CD1-CB 4.2Å; I18-I540 HydrophobicContact CG1-CB 4.41Å; I18-I540 HydrophobicContact CG1-CG2 4.39Å; I18-I540 HydrophobicContact CG2-CB 4.35Å; I18-I540 HydrophobicContact CG2-CG2 3.63Å
19N91.3Very high92.7Very high78 Ų7854.5 Ų54.542%0.41727%0.266SS..  trans-94.2135.8171.3-176.7-23.3000110.1E21 D22 V23N19-E21 PolarHBondContact O-N 3.33Å; N19-E21 VanDerWaalsContact O-N 3.11Å; N19-E21 PolarHBondContact OD1-N 2.78Å; N19-D22 WeakPolarHBondContact CB-OD2 3.37Å; N19-D22 PolarHBondContact O-N 3.28Å; N19-V23 PolarHBondContact O-N 2.91Å
20P91.4Very high92.8Very high41 Ų4156.7 Ų56.727%0.26628%0.275SS..Hα-helixtrans-45.7-36.7170.7-31.835.2000115.6L13 V23 W24 M63 S79 F127L13-P20 HydrophobicContact CD2-CG 3.9Å; P20-V23 WeakPolarHBondContact O-CB 3.18Å; P20-V23 PolarHBondContact O-N 3.28Å; P20-W24 PolarHBondContact O-N 3.47Å; P20-M63 HydrophobicContact CB-CE 4.22Å; P20-S79 WeakPolarHBondContact CB-OG 3.46Å; P20-F127 HydrophobicContact CB-CE2 4.15Å; P20-F127 HydrophobicContact CB-CZ 3.96Å; P20-F127 WeakPolarHBondContact O-CE2 3.47Å
21E91.9Very high93Very high85 Ų8556 Ų5640%0.39727%0.271SS..Hα-helixtrans-65-40.7179.2-173.8179.6164.300112.3N19 V23 W24 R25 M63N19-E21 PolarHBondContact O-N 3.33Å; N19-E21 VanDerWaalsContact O-N 3.11Å; N19-E21 PolarHBondContact OD1-N 2.78Å; E21-V23 VanDerWaalsContact C-N 3.35Å; E21-W24 PolarHBondContact O-N 2.97Å; E21-R25 WeakPolarHBondContact O-CB 3.46Å; E21-R25 PolarHBondContact O-N 3.43Å; E21-R25 IonicContact OE1-CZ 3.43Å; E21-R25 IonicContact OE1-NH2 2.95Å; E21-R25 PolarHBondContact OE1-NH2 3.05Å; E21-M63 HydrophobicContact CB-CE 4.03Å; E21-M63 HydrophobicContact CB-SD 3.95Å; E21-M63 HydrophobicContact CG-SD 3.84Å
22D93.9Very high93.2Very high54 Ų5457.5 Ų57.529%0.28928%0.275SS..Hα-helixtrans-70.3-35.1179.6-61.9-45.9000111N19 R25 V26 I540N19-D22 WeakPolarHBondContact CB-OD2 3.37Å; N19-D22 PolarHBondContact O-N 3.28Å; D22-R25 PolarHBondContact O-N 3.04Å; D22-R25 IonicContact OD1-CZ 2.92Å; D22-R25 IonicContact OD1-NH1 3.84Å; D22-R25 PolarHBondContact OD1-NH1 2.91Å; D22-V26 WeakPolarHBondContact O-CG2 3.45Å; D22-V26 PolarHBondContact O-N 3.03Å; D22-I540 HydrophobicContact CB-CG2 3.56Å
23V94.9Very high93.4Very high0 Ų058 Ų580%028%0.279CS..Hα-helixtrans-56.4-55169-178.80000110.6L9 L13 I18 N19 P20 E21 R25 V26 F27 P81 I540L9-V23 HydrophobicContact CD1-CG2 3.72Å; L9-V23 HydrophobicContact CD2-CG1 3.84Å; L9-V23 HydrophobicContact CD2-CG2 4.33Å; L13-V23 HydrophobicContact CD2-CG2 4.2Å; I18-V23 HydrophobicContact CG2-CG2 3.4Å; I18-V23 VanDerWaalsContact CG2-CG2 3.4Å; N19-V23 PolarHBondContact O-N 2.91Å; P20-V23 WeakPolarHBondContact O-CB 3.18Å; P20-V23 PolarHBondContact O-N 3.28Å; E21-V23 VanDerWaalsContact C-N 3.35Å; V23-R25 VanDerWaalsContact C-N 3.3Å; V23-R25 PolarHBondContact O-N 2.95Å; V23-V26 PolarHBondContact O-N 3.01Å; V23-F27 HydrophobicContact CG1-CD2 4.05Å; V23-F27 HydrophobicContact CG1-CE2 4.27Å; V23-F27 WeakPolarHBondContact O-CD2 3.2Å; V23-F27 PolarHBondContact O-N 2.87Å; V23-F27 VanDerWaalsContact O-N 3.15Å; V23-P81 HydrophobicContact CG1-CG 4.32Å; V23-I540 HydrophobicContact CG2-CD1 4.23Å
24W93.5Very high93.7Very high31 Ų3156.8 Ų56.812%0.11727%0.273CS..Hα-helixtrans-58.6-44.8-179.3176.985.4000111.3P20 E21 V26 F27 I28 L59 M63 F127 M129P20-W24 PolarHBondContact O-N 3.47Å; E21-W24 PolarHBondContact O-N 2.97Å; W24-V26 PolarHBondContact O-N 3.06Å; W24-F27 PolarHBondContact O-N 2.7Å; W24-I28 HydrophobicContact CD2-CG1 3.93Å; W24-I28 VanDerWaalsContact CE2-CG1 3.49Å; W24-I28 HydrophobicContact CG-CG1 4.29Å; W24-I28 HydrophobicContact CH2-CG1 4.43Å; W24-I28 HydrophobicContact CZ2-CG1 3.8Å; W24-I28 WeakPolarHBondContact O-CB 3.35Å; W24-I28 WeakPolarHBondContact O-CG1 3.44Å; W24-I28 PolarHBondContact O-N 2.72Å; W24-L59 VanDerWaalsContact CZ2-O 3.25Å; W24-L59 WeakPolarHBondContact CZ2-O 3.36Å; W24-M63 HydrophobicContact CB-CE 4.49Å; W24-M63 HydrophobicContact CB-CG 4.24Å; W24-M63 HydrophobicContact CD2-CB 3.92Å; W24-M63 HydrophobicContact CD2-CG 3.88Å; W24-M63 HydrophobicContact CE3-CB 4.14Å; W24-M63 HydrophobicContact CE3-CG 4.27Å; W24-M63 HydrophobicContact CG-CB 4.39Å; W24-M63 HydrophobicContact CG-CG 3.85Å; W24-M63 HydrophobicContact CH2-CB 4.4Å; W24-M63 HydrophobicContact CZ2-CB 4.16Å; W24-M63 HydrophobicContact CZ3-CB 4.38Å; W24-F127 HydrophobicContact CB-CD2 4.16Å; W24-F127 HydrophobicContact CB-CE2 4.08Å; W24-M129 HydrophobicContact CG-CE 4.42Å
25R94.6Very high94Very high107 Ų10753.4 Ų53.440%0.40426%0.255SS..Hα-helixtrans-61.4-46.2-179.4-168.9-176.7-62.6141.11.7112.1E21 D22 V23 N29E21-R25 WeakPolarHBondContact O-CB 3.46Å; E21-R25 PolarHBondContact O-N 3.43Å; E21-R25 IonicContact OE1-CZ 3.43Å; E21-R25 IonicContact OE1-NH2 2.95Å; E21-R25 PolarHBondContact OE1-NH2 3.05Å; D22-R25 PolarHBondContact O-N 3.04Å; D22-R25 IonicContact OD1-CZ 2.92Å; D22-R25 IonicContact OD1-NH1 3.84Å; D22-R25 PolarHBondContact OD1-NH1 2.91Å; V23-R25 VanDerWaalsContact C-N 3.3Å; V23-R25 PolarHBondContact O-N 2.95Å; R25-N29 WeakPolarHBondContact O-CB 3.45Å; R25-N29 PolarHBondContact O-N 3.01Å; R25-N29 PolarHBondContact O-ND2 3.4Å
26V96.5Very high94.3Very high38 Ų3855.1 Ų55.123%0.2326%0.256CS..Hα-helixtrans-62.3-47.7179.4166.30000111.1D22 V23 W24 N29 R30 I536 I540D22-V26 WeakPolarHBondContact O-CG2 3.45Å; D22-V26 PolarHBondContact O-N 3.03Å; V23-V26 PolarHBondContact O-N 3.01Å; W24-V26 PolarHBondContact O-N 3.06Å; V26-N29 PolarHBondContact O-N 3.27Å; V26-R30 WeakPolarHBondContact O-CG 3.13Å; V26-R30 PolarHBondContact O-N 3.17Å; V26-R30 VanDerWaalsContact O-N 3.12Å; V26-I536 HydrophobicContact CG1-CG2 3.99Å; V26-I540 HydrophobicContact CB-CD1 4.43Å; V26-I540 HydrophobicContact CB-CG1 4.15Å; V26-I540 HydrophobicContact CG1-CG1 4.23Å; V26-I540 HydrophobicContact CG2-CG1 3.92Å
27F96.7Very high94.7Very high0 Ų046.1 Ų46.10%022%0.218CC..Hα-helixtrans-72.1-36.6-178.4-78.6-85.4000113.2V23 W24 R30 I31 P81 M129 L183 L185 I536 I540V23-F27 HydrophobicContact CG1-CD2 4.05Å; V23-F27 HydrophobicContact CG1-CE2 4.27Å; V23-F27 WeakPolarHBondContact O-CD2 3.2Å; V23-F27 PolarHBondContact O-N 2.87Å; V23-F27 VanDerWaalsContact O-N 3.15Å; W24-F27 PolarHBondContact O-N 2.7Å; F27-R30 PolarHBondContact O-N 2.79Å; F27-I31 WeakPolarHBondContact O-CG1 3.5Å; F27-I31 PolarHBondContact O-N 3.46Å; F27-P81 HydrophobicContact CB-CB 4.14Å; F27-P81 HydrophobicContact CB-CG 4.45Å; F27-P81 HydrophobicContact CD1-CB 4.32Å; F27-P81 HydrophobicContact CD1-CG 3.99Å; F27-P81 HydrophobicContact CD2-CB 4.17Å; F27-P81 HydrophobicContact CD2-CG 3.58Å; F27-P81 HydrophobicContact CE1-CG 4.08Å; F27-P81 HydrophobicContact CE2-CG 3.68Å; F27-P81 HydrophobicContact CG-CB 3.95Å; F27-P81 HydrophobicContact CG-CG 3.73Å; F27-P81 HydrophobicContact CZ-CG 3.92Å; F27-M129 HydrophobicContact CB-CE 3.8Å; F27-L183 WeakPolarHBondContact CD1-O 3.32Å; F27-L185 HydrophobicContact CE1-CD2 4.18Å; F27-L185 HydrophobicContact CE1-CG 4.26Å; F27-L185 HydrophobicContact CE2-CG 4.46Å; F27-L185 HydrophobicContact CZ-CD1 4.4Å; F27-L185 HydrophobicContact CZ-CD2 3.7Å; F27-L185 HydrophobicContact CZ-CG 3.75Å; F27-I536 HydrophobicContact CE1-CG2 4.42Å; F27-I536 HydrophobicContact CE2-CG2 4.25Å; F27-I536 HydrophobicContact CZ-CG2 3.93Å; F27-I540 HydrophobicContact CE2-CD1 4.43Å
28I96.3Very high94.9Very high7 Ų739.3 Ų39.34%0.03620%0.198CC..Hα-helixtrans-62.3-43.1171.6-74-59.5000111.2W24 R30 I31 Q32 L59 M129W24-I28 HydrophobicContact CD2-CG1 3.93Å; W24-I28 VanDerWaalsContact CE2-CG1 3.49Å; W24-I28 HydrophobicContact CG-CG1 4.29Å; W24-I28 HydrophobicContact CH2-CG1 4.43Å; W24-I28 HydrophobicContact CZ2-CG1 3.8Å; W24-I28 WeakPolarHBondContact O-CB 3.35Å; W24-I28 WeakPolarHBondContact O-CG1 3.44Å; W24-I28 PolarHBondContact O-N 2.72Å; I28-R30 VanDerWaalsContact C-N 3.29Å; I28-R30 PolarHBondContact O-N 2.99Å; I28-I31 HydrophobicContact CD1-CD1 4.41Å; I28-I31 PolarHBondContact O-N 3.46Å; I28-Q32 HydrophobicContact CG2-CG 4.19Å; I28-Q32 WeakPolarHBondContact O-CG 3.44Å; I28-Q32 PolarHBondContact O-N 3.39Å; I28-L59 WeakPolarHBondContact CD1-O 3.13Å; I28-M129 HydrophobicContact CD1-CE 3.59Å; I28-M129 HydrophobicContact CG1-CE 3.57Å
29N96Very high94.9Very high98 Ų9846.7 Ų46.752%0.52423%0.23SC..Hα-helixtrans-60.6-39.8177.7-75.7-20.4000112R25 V26 Q32 A33R25-N29 WeakPolarHBondContact O-CB 3.45Å; R25-N29 PolarHBondContact O-N 3.01Å; R25-N29 PolarHBondContact O-ND2 3.4Å; V26-N29 PolarHBondContact O-N 3.27Å; N29-Q32 PolarHBondContact O-N 2.95Å; N29-A33 WeakPolarHBondContact O-CB 3.48Å; N29-A33 PolarHBondContact O-N 3.48Å
30R97.4Very high95Very high46 Ų4647.6 Ų47.617%0.17423%0.234CC..Hα-helixtrans-64.1-45.5174.2-67.1179.869.880.45.1111.7V26 F27 I28 Q32 A33 D34 L47 A181 G182 L183 I536V26-R30 WeakPolarHBondContact O-CG 3.13Å; V26-R30 PolarHBondContact O-N 3.17Å; V26-R30 VanDerWaalsContact O-N 3.12Å; F27-R30 PolarHBondContact O-N 2.79Å; I28-R30 VanDerWaalsContact C-N 3.29Å; I28-R30 PolarHBondContact O-N 2.99Å; R30-Q32 PolarHBondContact O-N 3.32Å; R30-A33 WeakPolarHBondContact O-CB 3.48Å; R30-A33 PolarHBondContact O-N 3.39Å; R30-D34 PolarHBondContact O-N 2.93Å; R30-L47 HydrophobicContact CB-CD2 4.33Å; R30-L47 HydrophobicContact CG-CD2 4.14Å; R30-A181 PolarHBondContact NH2-O 2.88Å; R30-G182 WeakPolarHBondContact CD-O 3.44Å; R30-G182 PolarHBondContact NE-O 2.81Å; R30-L183 HydrophobicContact CB-CD2 3.98Å; R30-I536 VanDerWaalsContact CZ-CD1 3.48Å
31I97.4Very high94.8Very high0 Ų050.7 Ų50.70%025%0.249CC..Hα-helixtrans-58.6-46.3175.2-72.2165.9000111.1F27 I28 A33 D34 I35 I55 M129 L183F27-I31 WeakPolarHBondContact O-CG1 3.5Å; F27-I31 PolarHBondContact O-N 3.46Å; I28-I31 HydrophobicContact CD1-CD1 4.41Å; I28-I31 PolarHBondContact O-N 3.46Å; I31-A33 VanDerWaalsContact C-N 3.32Å; I31-A33 PolarHBondContact O-N 3.02Å; I31-D34 PolarHBondContact O-N 3.22Å; I31-I35 HydrophobicContact CG2-CD1 3.64Å; I31-I35 HydrophobicContact CG2-CG1 4.34Å; I31-I35 WeakPolarHBondContact O-CG1 3.42Å; I31-I35 PolarHBondContact O-N 3.4Å; I31-I55 HydrophobicContact CG2-CB 4.43Å; I31-I55 HydrophobicContact CG2-CG1 4.21Å; I31-I55 HydrophobicContact CG2-CG2 4.15Å; I31-M129 HydrophobicContact CD1-CB 3.75Å; I31-M129 HydrophobicContact CD1-CG 4.48Å; I31-L183 HydrophobicContact CG1-CB 3.9Å
32Q96.2Very high94.7Very high65 Ų6550 Ų5030%0.30425%0.247SC..Hα-helixtrans-64.9-36.1178.8-67.5-50.3-52.600112.3I28 N29 R30 Q36 S58I28-Q32 HydrophobicContact CG2-CG 4.19Å; I28-Q32 WeakPolarHBondContact O-CG 3.44Å; I28-Q32 PolarHBondContact O-N 3.39Å; N29-Q32 PolarHBondContact O-N 2.95Å; R30-Q32 PolarHBondContact O-N 3.32Å; Q32-Q36 WeakPolarHBondContact O-CB 3.43Å; Q32-Q36 PolarHBondContact O-N 2.9Å; Q32-S58 PolarHBondContact NE2-OG 3.45Å
33A96.2Very high94.4Very high15 Ų1552 Ų5212%0.12427%0.266CS..Hα-helixtrans-63.8-40.417500000112.3N29 R30 I31 G37 K46 L47N29-A33 WeakPolarHBondContact O-CB 3.48Å; N29-A33 PolarHBondContact O-N 3.48Å; R30-A33 WeakPolarHBondContact O-CB 3.48Å; R30-A33 PolarHBondContact O-N 3.39Å; I31-A33 VanDerWaalsContact C-N 3.32Å; I31-A33 PolarHBondContact O-N 3.02Å; A33-G37 PolarHBondContact O-N 3.22Å; A33-K46 HydrophobicContact CB-CB 4.38Å; A33-L47 HydrophobicContact CB-CD2 4.22Å; A33-L47 HydrophobicContact CB-CG 4.25Å
34D97.1Very high94.1Very high0 Ų054.6 Ų54.60%028%0.282CS..Hα-helixtrans-66-49.7174.8-175.581.5000111.6R30 I31 Q36 G37 A38 L47 T52 L183R30-D34 PolarHBondContact O-N 2.93Å; I31-D34 PolarHBondContact O-N 3.22Å; D34-Q36 PolarHBondContact O-N 3.15Å; D34-G37 PolarHBondContact O-N 3.45Å; D34-G37 VanDerWaalsContact O-N 3.16Å; D34-A38 PolarHBondContact O-N 3.05Å; D34-L47 HydrophobicContact CB-CD1 4.42Å; D34-T52 PolarHBondContact OD1-N 3.21Å; D34-T52 PolarHBondContact OD1-OG1 3.2Å; D34-T52 PolarHBondContact OD2-OG1 2.68Å; D34-L183 HydrophobicContact CB-CD1 3.91Å; D34-L183 HydrophobicContact CB-CD2 4.14Å
35I95.9Very high93.9Very high25 Ų2553.5 Ų53.513%0.12828%0.278CS..Hα-helixtrans-59.4-45.6178.2-68.8171.3000111.1I31 G37 A38 K39 I55I31-I35 HydrophobicContact CG2-CD1 3.64Å; I31-I35 HydrophobicContact CG2-CG1 4.34Å; I31-I35 WeakPolarHBondContact O-CG1 3.42Å; I31-I35 PolarHBondContact O-N 3.4Å; I35-G37 VanDerWaalsContact C-N 3.33Å; I35-A38 PolarHBondContact O-N 3.31Å; I35-K39 HydrophobicContact CG2-CD 4.12Å; I35-K39 WeakPolarHBondContact O-CG 3.48Å; I35-K39 PolarHBondContact O-N 3.31Å; I35-I55 HydrophobicContact CD1-CB 4.29Å; I35-I55 HydrophobicContact CD1-CG2 4.16Å; I35-I55 HydrophobicContact CG1-CB 4.43Å
36Q95.3Very high93.7Very high94 Ų9456.1 Ų56.144%0.43929%0.293SS..Hα-helixtrans-64.5-39.7178.4-174.6176.939.300111.1Q32 D34 N40Q32-Q36 WeakPolarHBondContact O-CB 3.43Å; Q32-Q36 PolarHBondContact O-N 2.9Å; D34-Q36 PolarHBondContact O-N 3.15Å; Q36-N40 WeakPolarHBondContact O-CB 3.42Å; Q36-N40 VanDerWaalsContact O-CG 3.28Å; Q36-N40 PolarHBondContact O-N 3.27Å; Q36-N40 PolarHBondContact O-ND2 3.08Å
37G94.5Very high93.5Very high2 Ų256 Ų562%0.02129%0.291CS..Hα-helixtrans-61.2-43.9175.200000112.3A33 D34 I35 N40 D41 L42 P51A33-G37 PolarHBondContact O-N 3.22Å; D34-G37 PolarHBondContact O-N 3.45Å; D34-G37 VanDerWaalsContact O-N 3.16Å; I35-G37 VanDerWaalsContact C-N 3.33Å; G37-N40 PolarHBondContact O-N 3.07Å; G37-D41 PolarHBondContact O-N 3.36Å; G37-L42 PolarHBondContact O-N 3.22Å; G37-P51 VanDerWaalsContact C-CB 3.43Å
38A93.8Very high93.3Very high27 Ų2758.7 Ų58.722%0.22332%0.319CS..Hα-helixtrans-65.6-46.1178.700000111.6D34 I35 N40 D41 P51 N53D34-A38 PolarHBondContact O-N 3.05Å; I35-A38 PolarHBondContact O-N 3.31Å; A38-N40 VanDerWaalsContact C-N 3.26Å; A38-N40 PolarHBondContact O-N 3.33Å; A38-D41 PolarHBondContact O-N 3.26Å; A38-P51 HydrophobicContact CB-CB 3.99Å; A38-N53 HydrophobicContact CB-CB 4.22Å
39K92.9Very high93Very high168 Ų16858.9 Ų58.973%0.7332%0.319SS*.Hα-helixtrans-61.2-34.2177.9-76.1-179.6178.51790113.3I35 D41I35-K39 HydrophobicContact CG2-CD 4.12Å; I35-K39 WeakPolarHBondContact O-CG 3.48Å; I35-K39 PolarHBondContact O-N 3.31Å; K39-D41 VanDerWaalsContact C-N 3.29Å
40N92.9Very high92.9Very high96 Ų9654.6 Ų54.651%0.51330%0.297SS..THydrogen-bonded Turntrans-88.95.8178.7-67.2-14.3000112.9Q36 G37 A38 L42Q36-N40 WeakPolarHBondContact O-CB 3.42Å; Q36-N40 VanDerWaalsContact O-CG 3.28Å; Q36-N40 PolarHBondContact O-N 3.27Å; Q36-N40 PolarHBondContact O-ND2 3.08Å; G37-N40 PolarHBondContact O-N 3.07Å; A38-N40 VanDerWaalsContact C-N 3.26Å; A38-N40 PolarHBondContact O-N 3.33Å; N40-L42 HydrophobicContact CB-CD2 4.04Å; N40-L42 HydrophobicContact CB-CG 3.94Å; N40-L42 PolarHBondContact O-N 3.08Å
41D88Confident92.9Very high107 Ų10752.6 Ų52.657%0.57229%0.289SS*.THydrogen-bonded Turntrans48.739.9-177.2-161.934.3000113.5G37 A38 K39 R165G37-D41 PolarHBondContact O-N 3.36Å; A38-D41 PolarHBondContact O-N 3.26Å; K39-D41 VanDerWaalsContact C-N 3.29Å; D41-R165 IonicContact OD1-CZ 3.69Å; D41-R165 VanDerWaalsContact OD1-CZ 3.25Å; D41-R165 IonicContact OD1-NH1 2.9Å; D41-R165 PolarHBondContact OD1-NH1 3.27Å; D41-R165 IonicContact OD1-NH2 2.76Å; D41-R165 PolarHBondContact OD1-NH2 2.98Å
42L88.4Confident92.9Very high70 Ų7052.6 Ų52.637%0.36629%0.289SS..  trans-68.1143.5-179.8-58.9-175.9000110.5G37 N40 P51G37-L42 PolarHBondContact O-N 3.22Å; N40-L42 HydrophobicContact CB-CD2 4.04Å; N40-L42 HydrophobicContact CB-CG 3.94Å; N40-L42 PolarHBondContact O-N 3.08Å; L42-P51 WeakPolarHBondContact O-CD 3.35Å; L42-P51 VanDerWaalsContact O-CG 3.29Å; L42-P51 WeakPolarHBondContact O-CG 3.37Å
43S87.1Confident92.9Very high97 Ų9751.1 Ų51.168%0.67828%0.284SS*.SBendtrans-68.4-38.3169.354.60000111.6P50S43-P50 WeakPolarHBondContact O-CA 3.41Å; S43-P50 WeakPolarHBondContact O-CB 3.33Å; S43-P50 WeakPolarHBondContact O-CG 3.1Å
44V88.8Confident93Very high54 Ų5450.4 Ų50.433%0.32728%0.278SS..SBendtrans-132.3129.2177.9-176.70000109.2
45S89.8Confident93Very high7 Ų750.9 Ų50.95%0.04928%0.28CS..  trans-78171.2175.475.30000111.6L47 G48 F49S45-L47 PolarHBondContact O-N 2.99Å; S45-L47 WeakPolarHBondContact OG-CB 3.26Å; S45-L47 PolarHBondContact OG-N 3.16Å; S45-G48 PolarHBondContact O-N 3.38Å; S45-F49 VanDerWaalsContact CB-O 3.31Å; S45-F49 WeakPolarHBondContact CB-O 3.39Å; S45-F49 PolarHBondContact N-O 3.26Å; S45-F49 PolarHBondContact OG-O 3.04Å
46K91.2Very high93.1Very high162 Ų16251.6 Ų51.670%0.70428%0.284SS*.THydrogen-bonded Turntrans-61.4-10.3172.6-63.1-179.9179.3167.20113.6A33A33-K46 HydrophobicContact CB-CB 4.38Å
47L92.8Very high93.1Very high36 Ų3649 Ų4919%0.18828%0.276CS..THydrogen-bonded Turntrans-88.6-3177.7-54.6178.7000113.2R30 A33 D34 S45 F49 L183R30-L47 HydrophobicContact CB-CD2 4.33Å; R30-L47 HydrophobicContact CG-CD2 4.14Å; A33-L47 HydrophobicContact CB-CD2 4.22Å; A33-L47 HydrophobicContact CB-CG 4.25Å; D34-L47 HydrophobicContact CB-CD1 4.42Å; S45-L47 PolarHBondContact O-N 2.99Å; S45-L47 WeakPolarHBondContact OG-CB 3.26Å; S45-L47 PolarHBondContact OG-N 3.16Å; L47-F49 HydrophobicContact CB-CD1 4.31Å; L47-F49 HydrophobicContact CB-CE1 3.63Å; L47-F49 HydrophobicContact CB-CE2 3.85Å; L47-F49 HydrophobicContact CB-CZ 3.36Å; L47-F49 HydrophobicContact CD1-CE2 3.96Å; L47-F49 HydrophobicContact CD1-CZ 3.65Å; L47-F49 HydrophobicContact CG-CZ 4.15Å; L47-F49 WeakPolarHBondContact O-CD1 3.04Å; L47-F49 WeakPolarHBondContact O-CE1 3.43Å; L47-L183 HydrophobicContact CD1-CD2 3.67Å
48G90.9Very high93Very high57 Ų5750.1 Ų50.159%0.58828%0.284SS*.SBendtrans90.33.4176.300000115.3S45S45-G48 PolarHBondContact O-N 3.38Å
49F91.5Very high92.8Very high11 Ų1149.1 Ų49.15%0.04828%0.275CS..SBendtrans-135.8165174.247.1-101.4000110.5S45 L47 P155 A181 L530 V531S45-F49 VanDerWaalsContact CB-O 3.31Å; S45-F49 WeakPolarHBondContact CB-O 3.39Å; S45-F49 PolarHBondContact N-O 3.26Å; S45-F49 PolarHBondContact OG-O 3.04Å; L47-F49 HydrophobicContact CB-CD1 4.31Å; L47-F49 HydrophobicContact CB-CE1 3.63Å; L47-F49 HydrophobicContact CB-CE2 3.85Å; L47-F49 HydrophobicContact CB-CZ 3.36Å; L47-F49 HydrophobicContact CD1-CE2 3.96Å; L47-F49 HydrophobicContact CD1-CZ 3.65Å; L47-F49 HydrophobicContact CG-CZ 4.15Å; L47-F49 WeakPolarHBondContact O-CD1 3.04Å; L47-F49 WeakPolarHBondContact O-CE1 3.43Å; F49-P155 HydrophobicContact CD2-CB 4.24Å; F49-A181 HydrophobicContact CD2-CB 4.48Å; F49-A181 HydrophobicContact CE2-CB 3.48Å; F49-A181 VanDerWaalsContact CE2-CB 3.48Å; F49-A181 HydrophobicContact CZ-CB 3.49Å; F49-A181 VanDerWaalsContact CZ-CB 3.49Å; F49-A181 WeakPolarHBondContact CZ-O 3.26Å; F49-L530 HydrophobicContact CD1-CD2 4.41Å; F49-L530 HydrophobicContact CG-CD2 4.48Å; F49-V531 HydrophobicContact CD1-CG2 4.32Å; F49-V531 HydrophobicContact CE1-CG2 3.64Å; F49-V531 HydrophobicContact CZ-CG2 4.39Å
50P93.6Very high92.1Very high8 Ų843.5 Ų43.55%0.05226%0.257CS..  trans-57.3140.4-179.8-2636.3000111.6S43 T52 V153 E158S43-P50 WeakPolarHBondContact O-CA 3.41Å; S43-P50 WeakPolarHBondContact O-CB 3.33Å; S43-P50 WeakPolarHBondContact O-CG 3.1Å; P50-T52 PolarHBondContact O-N 3.34Å; P50-V153 HydrophobicContact CB-CG1 4.37Å; P50-E158 HydrophobicContact CG-CB 4.32Å
51P95.8Very high91.2Very high3 Ų347.5 Ų47.52%0.01927%0.272CS..  trans-58.8132.5175.127.2-34.4000110.2G37 A38 L42G37-P51 VanDerWaalsContact C-CB 3.43Å; A38-P51 HydrophobicContact CB-CB 3.99Å; L42-P51 WeakPolarHBondContact O-CD 3.35Å; L42-P51 VanDerWaalsContact O-CG 3.29Å; L42-P51 WeakPolarHBondContact O-CG 3.37Å
52T97.2Very high90.6Very high0 Ų046.6 Ų46.60%027%0.266CS..  trans-86.3-22.3-167.960.70000113.5D34 P50 S54 V152 V153 P155 A177 A181D34-T52 PolarHBondContact OD1-N 3.21Å; D34-T52 PolarHBondContact OD1-OG1 3.2Å; D34-T52 PolarHBondContact OD2-OG1 2.68Å; P50-T52 PolarHBondContact O-N 3.34Å; T52-S54 PolarHBondContact O-N 2.77Å; T52-S54 WeakPolarHBondContact OG1-CB 3.42Å; T52-S54 PolarHBondContact OG1-N 2.89Å; T52-S54 PolarHBondContact OG1-OG 3.16Å; T52-V152 CarbonylContact O-C 3.43Å; T52-V152 WeakPolarHBondContact O-CA 3.28Å; T52-V152 WeakPolarHBondContact O-CG1 3.2Å; T52-V153 PolarHBondContact O-N 3.44Å; T52-P155 HydrophobicContact CG2-CB 3.8Å; T52-P155 HydrophobicContact CG2-CG 4.37Å; T52-A177 HydrophobicContact CG2-CB 4.3Å; T52-A181 HydrophobicContact CG2-CB 4.14Å
53N97.2Very high90.1Very high35 Ų3546.3 Ų46.319%0.18726%0.264CS..  trans54.634.3-169.9-167.537.2000111.9A38 N133 A149 G150 P151A38-N53 HydrophobicContact CB-CB 4.22Å; N53-N133 WeakPolarHBondContact O-CB 3.27Å; N53-N133 PolarHBondContact O-ND2 2.95Å; N53-A149 PolarHBondContact ND2-O 3.26Å; N53-G150 PolarHBondContact ND2-O 2.83Å; N53-P151 PolarHBondContact ND2-O 2.76Å
54S98Very high89.3Confident0 Ų042.1 Ų42.10%024%0.235CC..  trans-85.2-15.7-170.759.30000114T52 S132 N133 G174 L183T52-S54 PolarHBondContact O-N 2.77Å; T52-S54 WeakPolarHBondContact OG1-CB 3.42Å; T52-S54 PolarHBondContact OG1-N 2.89Å; T52-S54 PolarHBondContact OG1-OG 3.16Å; S54-S132 CarbonylContact O-C 3.26Å; S54-S132 WeakPolarHBondContact O-CA 3.43Å; S54-S132 WeakPolarHBondContact O-CB 3.23Å; S54-N133 PolarHBondContact O-N 3.47Å; S54-G174 WeakPolarHBondContact CB-O 3.44Å; S54-L183 WeakPolarHBondContact OG-CD1 3.27Å
55I97.9Very high88.4Confident9 Ų949.3 Ų49.35%0.04626%0.262CS..EExtended strand (participates in β ladder)trans-117.7120.3-175.6-54.7-59.8000110.3I31 I35 S57 V83 K131 A178 L183I31-I55 HydrophobicContact CG2-CB 4.43Å; I31-I55 HydrophobicContact CG2-CG1 4.21Å; I31-I55 HydrophobicContact CG2-CG2 4.15Å; I35-I55 HydrophobicContact CD1-CB 4.29Å; I35-I55 HydrophobicContact CD1-CG2 4.16Å; I35-I55 HydrophobicContact CG1-CB 4.43Å; I55-S57 VanDerWaalsContact CG2-O 3.27Å; I55-S57 WeakPolarHBondContact CG2-O 3.4Å; I55-V83 HydrophobicContact CD1-CB 4.39Å; I55-V83 HydrophobicContact CD1-CG1 3.68Å; I55-V83 HydrophobicContact CD1-CG2 3.79Å; I55-K131 CarbonylContact C-O 3.6Å; I55-A178 HydrophobicContact CD1-CB 3.97Å; I55-L183 HydrophobicContact CG1-CD1 4.24Å
56L96.5Very high87.1Confident40 Ų4050.7 Ų50.721%0.20927%0.271CS..EExtended strand (participates in β ladder)trans-82-37.4176.5-69.3179000112.7D86 A102 K131 N133 V148 A149L56-D86 HydrophobicContact CD1-CB 3.83Å; L56-A102 HydrophobicContact CD1-CB 4.11Å; L56-K131 PolarHBondContact N-O 3.22Å; L56-N133 HydrophobicContact CD1-CB 4.43Å; L56-N133 HydrophobicContact CD2-CB 3.87Å; L56-N133 WeakPolarHBondContact CD2-OD1 3.45Å; L56-N133 HydrophobicContact CG-CB 3.79Å; L56-V148 HydrophobicContact CD2-CB 4.29Å; L56-V148 HydrophobicContact CD2-CG1 4Å; L56-A149 HydrophobicContact CD2-CB 3.35Å
57S95.5Very high85.5Confident40 Ų4046.2 Ų46.228%0.2826%0.26SS..EExtended strand (participates in β ladder)trans-150.2147.7177.158.40000110.4I55 G130 K131I55-S57 VanDerWaalsContact CG2-O 3.27Å; I55-S57 WeakPolarHBondContact CG2-O 3.4Å; S57-G130 CarbonylContact O-C 3.53Å; S57-G130 WeakPolarHBondContact O-CA 3.15Å; S57-K131 PolarHBondContact O-N 2.89Å; S57-K131 WeakPolarHBondContact OG-CB 3.22Å; S57-K131 VanDerWaalsContact OG-CG 3.26Å; S57-K131 WeakPolarHBondContact OG-CG 2.96Å
58S93.7Very high83.8Confident26 Ų2647.6 Ų47.618%0.18227%0.27CS..EExtended strand (participates in β ladder)trans-138.3151.9-177.161.20000110.9Q32 S60 M129Q32-S58 PolarHBondContact NE2-OG 3.45Å; S58-S60 VanDerWaalsContact C-N 3.3Å; S58-S60 PolarHBondContact O-N 3.24Å; S58-S60 VanDerWaalsContact O-N 3.1Å; S58-M129 WeakPolarHBondContact CA-O 3.38Å
59L88.7Confident82.1Confident6 Ų648 Ų483%0.03126%0.261CS..  trans-84.367.2172.5-64.2179.4000111W24 I28 E61 P64 L95 P96 L97 I128 M129W24-L59 VanDerWaalsContact CZ2-O 3.25Å; W24-L59 WeakPolarHBondContact CZ2-O 3.36Å; I28-L59 WeakPolarHBondContact CD1-O 3.13Å; L59-E61 VanDerWaalsContact C-N 3.32Å; L59-E61 PolarHBondContact O-N 3.08Å; L59-P64 HydrophobicContact CD1-CG 4.08Å; L59-L95 HydrophobicContact CD1-CB 4.32Å; L59-L95 HydrophobicContact CD1-CD1 4.29Å; L59-L95 HydrophobicContact CD1-CD2 3.76Å; L59-L95 HydrophobicContact CD1-CG 4.34Å; L59-P96 HydrophobicContact CD2-CG 3.99Å; L59-L97 HydrophobicContact CD1-CD1 4.36Å; L59-L97 HydrophobicContact CD2-CD1 4.35Å; L59-L97 HydrophobicContact CD2-CD2 3.85Å; L59-L97 HydrophobicContact CD2-CG 3.84Å; L59-L97 HydrophobicContact CG-CD1 4.12Å; L59-L97 HydrophobicContact CG-CD2 4.05Å; L59-L97 HydrophobicContact CG-CG 4.12Å; L59-I128 WeakPolarHBondContact CD1-O 3.41Å; L59-M129 PolarHBondContact N-O 3.18Å
60S78.6Confident80.7Confident50 Ų5050.4 Ų50.435%0.3528%0.275SS..SBendtrans-69-28.4-177.7490000114.1S58S58-S60 VanDerWaalsContact C-N 3.3Å; S58-S60 PolarHBondContact O-N 3.24Å; S58-S60 VanDerWaalsContact O-N 3.1Å
61E74.6Confident79.2Confident179 Ų17955 Ų5584%0.83630%0.304SS*.SBendtrans-104.4-16.9-171.4-64.9176.4-173.600113.7L59L59-E61 VanDerWaalsContact C-N 3.32Å; L59-E61 PolarHBondContact O-N 3.08Å
62I75.8Confident77.6Confident88 Ų8861.8 Ų61.845%0.45134%0.34SS..  trans-124.6107.8-172.9-56.3174.6000108.8P64 P96I62-P64 WeakPolarHBondContact O-CD 3.43Å; I62-P96 HydrophobicContact CD1-CG 3.97Å
63M77.8Confident76.3Confident64 Ų6466.4 Ų66.432%0.31537%0.369SS..  trans-68123.5165.4-175.2-176.3168.800108.8P20 E21 W24 K65 F127P20-M63 HydrophobicContact CB-CE 4.22Å; E21-M63 HydrophobicContact CB-CE 4.03Å; E21-M63 HydrophobicContact CB-SD 3.95Å; E21-M63 HydrophobicContact CG-SD 3.84Å; W24-M63 HydrophobicContact CB-CE 4.49Å; W24-M63 HydrophobicContact CB-CG 4.24Å; W24-M63 HydrophobicContact CD2-CB 3.92Å; W24-M63 HydrophobicContact CD2-CG 3.88Å; W24-M63 HydrophobicContact CE3-CB 4.14Å; W24-M63 HydrophobicContact CE3-CG 4.27Å; W24-M63 HydrophobicContact CG-CB 4.39Å; W24-M63 HydrophobicContact CG-CG 3.85Å; W24-M63 HydrophobicContact CH2-CB 4.4Å; W24-M63 HydrophobicContact CZ2-CB 4.16Å; W24-M63 HydrophobicContact CZ3-CB 4.38Å; M63-K65 PolarHBondContact O-N 3.33Å; M63-F127 HydrophobicContact CE-CE1 4.4Å; M63-F127 HydrophobicContact CE-CE2 4.12Å; M63-F127 HydrophobicContact CE-CZ 3.59Å
64P70.1Confident75.4Confident10 Ų1065.9 Ų65.97%0.06537%0.367CS..  trans-60.9132.1173.1-16.128.2000109.3L59 I62 S66 L95 F127L59-P64 HydrophobicContact CD1-CG 4.08Å; I62-P64 WeakPolarHBondContact O-CD 3.43Å; P64-S66 PolarHBondContact O-N 3.13Å; P64-S66 VanDerWaalsContact O-N 3.12Å; P64-L95 HydrophobicContact CB-CD2 4.49Å; P64-F127 HydrophobicContact CB-CD1 3.93Å; P64-F127 HydrophobicContact CB-CE1 4.35Å; P64-F127 HydrophobicContact CG-CB 4.5Å; P64-F127 HydrophobicContact CG-CD1 4.07Å; P64-F127 VanDerWaalsContact O-CE1 3.31Å; P64-F127 WeakPolarHBondContact O-CE1 3.46Å
65K68.5Low75Confident205 Ų20567.3 Ų67.389%0.89138%0.375SS*.  trans-65.4114.6167.4-70.3-174.6178.7-177.90107.8M63 S67M63-K65 PolarHBondContact O-N 3.33Å; K65-S67 PolarHBondContact O-N 3.42Å
66S62.2Low74.7Confident36 Ų3668 Ų6825%0.25238%0.379SS..  trans-64.7105.7169.5176.40000108.1P64 V68P64-S66 PolarHBondContact O-N 3.13Å; P64-S66 VanDerWaalsContact O-N 3.12Å; S66-V68 VanDerWaalsContact C-N 3.3Å; S66-V68 PolarHBondContact O-N 2.86Å
67S58.3Low74.6Confident68 Ų6866.2 Ų66.248%0.47637%0.369SS..  trans-7589.8165.853.90000107.8K65 T69K65-S67 PolarHBondContact O-N 3.42Å; S67-T69 PolarHBondContact O-N 2.91Å; S67-T69 VanDerWaalsContact O-N 3.11Å
68V56.7Low74.4Confident65 Ų6564.9 Ų64.939%0.39436%0.36SS..  trans-68.8107.5168.4-176.20000106.7S66 N70 P74 T78S66-V68 VanDerWaalsContact C-N 3.3Å; S66-V68 PolarHBondContact O-N 2.86Å; V68-N70 VanDerWaalsContact C-N 3.34Å; V68-P74 HydrophobicContact CG1-CB 4.18Å; V68-T78 HydrophobicContact CG2-CG2 4.03Å
69T56Low74.4Confident65 Ų6563.8 Ų63.840%0.39935%0.352SS..SBendtrans-67.2-36.5-178.347.50000111.7S67 H123S67-T69 PolarHBondContact O-N 2.91Å; S67-T69 VanDerWaalsContact O-N 3.11Å; T69-H123 WeakPolarHBondContact CG2-O 3.24Å
70N62Low74.8Confident62 Ų6263.5 Ų63.533%0.33235%0.35SS..  trans-137.6106.7175.9-168.4-14000111V68 D72 T73 P74V68-N70 VanDerWaalsContact C-N 3.34Å; N70-D72 PolarHBondContact O-N 2.92Å; N70-D72 WeakPolarHBondContact OD1-CB 3.45Å; N70-D72 PolarHBondContact OD1-N 2.75Å; N70-T73 PolarHBondContact ND2-OG1 3.37Å; N70-T73 CarbonylContact O-C 3.31Å; N70-T73 VanDerWaalsContact O-C 3.31Å; N70-T73 PolarHBondContact O-N 2.8Å; N70-P74 WeakPolarHBondContact O-CA 3.38Å; N70-P74 VanDerWaalsContact O-N 3.16Å
71P61.2Low75.6Confident104 Ų10461.1 Ų61.168%0.67533%0.333SS*.SBendtrans-61.6-27.9178.1-2031.8000113.3
72D62.3Low76.8Confident145 Ų14552.6 Ų52.678%0.77529%0.294SS*.SBendtrans-82.4-28.3-175.5-61-34.1000112.2N70N70-D72 PolarHBondContact O-N 2.92Å; N70-D72 WeakPolarHBondContact OD1-CB 3.45Å; N70-D72 PolarHBondContact OD1-N 2.75Å
73T70.9Confident77.8Confident98 Ų9848.4 Ų48.460%0.60127%0.272SS*.SBendtrans-142.574.6175.948.90000110.6N70N70-T73 PolarHBondContact ND2-OG1 3.37Å; N70-T73 CarbonylContact O-C 3.31Å; N70-T73 VanDerWaalsContact O-C 3.31Å; N70-T73 PolarHBondContact O-N 2.8Å
74P77.9Confident78.8Confident24 Ų2445.3 Ų45.316%0.15626%0.257CS..  trans-65.8145.7-178.124.1-30.7000111.6H10 L14 V68 N70 T78H10-P74 PolarHBondContact CE1-O 2.93Å; L14-P74 HydrophobicContact CD2-CG 3.25Å; L14-P74 HydrophobicContact CG-CG 4.18Å; V68-P74 HydrophobicContact CG1-CB 4.18Å; N70-P74 WeakPolarHBondContact O-CA 3.38Å; N70-P74 VanDerWaalsContact O-N 3.16Å; P74-T78 HydrophobicContact CB-CG2 4.39Å
75D89.5Confident80.2Confident29 Ų2944.9 Ų44.916%0.15525%0.254CS..  trans-60.5149.3175.9-86.5-75000111.8H10 M77 T78 S124H10-D75 PolarHBondContact CE1-O 2.83Å; H10-D75 PolarHBondContact ND1-O 2.86Å; D75-M77 PolarHBondContact O-N 3.36Å; D75-T78 PolarHBondContact N-OG1 2.77Å; D75-T78 VanDerWaalsContact O-CB 3.25Å; D75-T78 WeakPolarHBondContact O-CB 3.31Å; D75-T78 PolarHBondContact O-N 3.31Å; D75-T78 PolarHBondContact O-OG1 3.24Å; D75-S124 WeakPolarHBondContact CB-O 3.33Å
76L91.1Very high81.6Confident25 Ų2535.1 Ų35.113%0.13121%0.212CC..THydrogen-bonded Turntrans-54.1-29.2177.2-73.4175.6000113.3Y7 T78 I80 Q278 A281Y7-L76 HydrophobicContact CD2-CD2 3.87Å; Y7-L76 HydrophobicContact CE2-CD2 4.22Å; L76-T78 VanDerWaalsContact C-N 3.34Å; L76-I80 WeakPolarHBondContact O-CG1 3.02Å; L76-Q278 HydrophobicContact CD1-CG 4.45Å; L76-A281 HydrophobicContact CD1-CB 4.12Å
77M94.1Very high83.4Confident1 Ų133.6 Ų33.61%0.00520%0.201CC..THydrogen-bonded Turntrans-88.23.3-179-63.3-56-61.700114I6 D75 S79 I80 V82 L121 S124 G125 A126 C242 V243I6-M77 HydrophobicContact CD1-CE 4.48Å; I6-M77 HydrophobicContact CD1-SD 4.32Å; I6-M77 HydrophobicContact CG2-SD 4.18Å; D75-M77 PolarHBondContact O-N 3.36Å; M77-S79 PolarHBondContact O-N 2.81Å; M77-I80 HydrophobicContact CE-CB 3.94Å; M77-I80 HydrophobicContact CE-CG2 3.72Å; M77-I80 WeakPolarHBondContact O-CB 3.29Å; M77-I80 WeakPolarHBondContact O-CG1 3.41Å; M77-I80 PolarHBondContact O-N 3.28Å; M77-I80 VanDerWaalsContact O-N 3.14Å; M77-V82 HydrophobicContact CE-CG2 3.68Å; M77-L121 HydrophobicContact CE-CD2 4.01Å; M77-L121 HydrophobicContact CG-CD2 4.17Å; M77-S124 CarbonylContact C-O 3.58Å; M77-S124 VanDerWaalsContact C-O 3.26Å; M77-G125 CarbonylContact O-C 3.51Å; M77-A126 HydrophobicContact CB-CB 4.3Å; M77-A126 WeakPolarHBondContact O-CA 3.33Å; M77-A126 PolarHBondContact O-N 3.27Å; M77-C242 HydrophobicContact SD-CB 4.16Å; M77-V243 HydrophobicContact CE-CG2 3.99Å; M77-V243 HydrophobicContact SD-CG2 4.13Å
78T93Very high85.3Confident13 Ų1330.4 Ų30.48%0.0818%0.178CC..THydrogen-bonded Turntrans-59.3123-179.2-60.30000111L13 V68 P74 D75 L76 I80 S124L13-T78 WeakPolarHBondContact CD1-O 3.38Å; V68-T78 HydrophobicContact CG2-CG2 4.03Å; P74-T78 HydrophobicContact CB-CG2 4.39Å; D75-T78 PolarHBondContact N-OG1 2.77Å; D75-T78 VanDerWaalsContact O-CB 3.25Å; D75-T78 WeakPolarHBondContact O-CB 3.31Å; D75-T78 PolarHBondContact O-N 3.31Å; D75-T78 PolarHBondContact O-OG1 3.24Å; L76-T78 VanDerWaalsContact C-N 3.34Å; T78-I80 PolarHBondContact O-N 3.12Å; T78-I80 VanDerWaalsContact O-N 3.15Å; T78-S124 WeakPolarHBondContact CA-O 3.34Å; T78-S124 PolarHBondContact N-O 3.24Å; T78-S124 VanDerWaalsContact N-O 3.13Å
79S93.7Very high87.3Confident2 Ų227.4 Ų27.41%0.01416%0.16CC..THydrogen-bonded Turntrans58.517.7-179.2-53.20000115.2P20 M77 G125 F127P20-S79 WeakPolarHBondContact CB-OG 3.46Å; M77-S79 PolarHBondContact O-N 2.81Å; S79-G125 PolarHBondContact N-O 3.03Å; S79-F127 WeakPolarHBondContact O-CD2 3.16Å
80I95.7Very high89.3Confident0 Ų024.3 Ų24.30%014%0.141CC..  trans-79.8127177.7-58-58.4000109.6I6 L9 L76 M77 T78 V82 F127 L185I6-I80 HydrophobicContact CD1-CG2 4.2Å; I6-I80 HydrophobicContact CG1-CG2 3.96Å; I6-I80 HydrophobicContact CG2-CD1 3.92Å; I6-I80 HydrophobicContact CG2-CG1 3.91Å; I6-I80 HydrophobicContact CG2-CG2 4.31Å; L9-I80 HydrophobicContact CB-CD1 4.18Å; L9-I80 HydrophobicContact CD2-CD1 3.69Å; L9-I80 HydrophobicContact CG-CD1 3.97Å; L76-I80 WeakPolarHBondContact O-CG1 3.02Å; M77-I80 HydrophobicContact CE-CB 3.94Å; M77-I80 HydrophobicContact CE-CG2 3.72Å; M77-I80 WeakPolarHBondContact O-CB 3.29Å; M77-I80 WeakPolarHBondContact O-CG1 3.41Å; M77-I80 PolarHBondContact O-N 3.28Å; M77-I80 VanDerWaalsContact O-N 3.14Å; T78-I80 PolarHBondContact O-N 3.12Å; T78-I80 VanDerWaalsContact O-N 3.15Å; I80-V82 HydrophobicContact CG2-CG2 4.37Å; I80-V82 PolarHBondContact O-N 3.01Å; I80-F127 PolarHBondContact O-N 2.76Å; I80-L185 HydrophobicContact CG2-CB 4.11Å; I80-L185 HydrophobicContact CG2-CD1 4.42Å
81P96.8Very high91Very high0 Ų022.8 Ų22.80%013%0.133CC..EExtended strand (participates in β ladder)trans-74.7117.5179.829.8-34.5000110.9V23 F27 M129 C184 L185V23-P81 HydrophobicContact CG1-CG 4.32Å; F27-P81 HydrophobicContact CB-CB 4.14Å; F27-P81 HydrophobicContact CB-CG 4.45Å; F27-P81 HydrophobicContact CD1-CB 4.32Å; F27-P81 HydrophobicContact CD1-CG 3.99Å; F27-P81 HydrophobicContact CD2-CB 4.17Å; F27-P81 HydrophobicContact CD2-CG 3.58Å; F27-P81 HydrophobicContact CE1-CG 4.08Å; F27-P81 HydrophobicContact CE2-CG 3.68Å; F27-P81 HydrophobicContact CG-CB 3.95Å; F27-P81 HydrophobicContact CG-CG 3.73Å; F27-P81 HydrophobicContact CZ-CG 3.92Å; P81-M129 HydrophobicContact CB-CE 4.29Å; P81-M129 HydrophobicContact CB-CG 3.65Å; P81-M129 HydrophobicContact CB-SD 3.72Å; P81-C184 WeakPolarHBondContact O-CB 3.23Å; P81-L185 HydrophobicContact CG-CB 4.29Å; P81-L185 HydrophobicContact CG-CD1 4.28Å; P81-L185 HydrophobicContact CG-CG 3.91Å; P81-L185 PolarHBondContact O-N 3.29Å
82V98.2Very high92.6Very high0 Ų022 Ų220%012%0.117CC..EExtended strand (participates in β ladder)trans-123.1135.4-178.6179.40000110.7M77 I80 V84 L121 A126 F127 I128 M129 A186 I188M77-V82 HydrophobicContact CE-CG2 3.68Å; I80-V82 HydrophobicContact CG2-CG2 4.37Å; I80-V82 PolarHBondContact O-N 3.01Å; V82-V84 HydrophobicContact CG1-CG2 4.43Å; V82-L121 HydrophobicContact CG1-CD1 4.11Å; V82-A126 HydrophobicContact CG2-CB 4.22Å; V82-F127 PolarHBondContact N-O 3.21Å; V82-I128 HydrophobicContact CB-CD1 4.15Å; V82-I128 HydrophobicContact CG1-CD1 4.28Å; V82-I128 CarbonylContact O-C 3.59Å; V82-I128 WeakPolarHBondContact O-CA 3.46Å; V82-M129 PolarHBondContact O-N 3.26Å; V82-A186 VanDerWaalsContact CA-O 3.28Å; V82-A186 WeakPolarHBondContact CA-O 3.39Å; V82-A186 HydrophobicContact CG2-CB 4.38Å; V82-I188 HydrophobicContact CG1-CD1 4.43Å; V82-I188 HydrophobicContact CG1-CG1 4.09Å
83V98.6Very high94.2Very high0 Ų026.5 Ų26.50%012%0.123CC..EExtended strand (participates in β ladder)trans-101.7141.7169.6169.20000109.8I55 M129 S132 C184 A186 S187 I188I55-V83 HydrophobicContact CD1-CB 4.39Å; I55-V83 HydrophobicContact CD1-CG1 3.68Å; I55-V83 HydrophobicContact CD1-CG2 3.79Å; V83-M129 HydrophobicContact CG2-CB 4.17Å; V83-S132 VanDerWaalsContact CG1-CB 3.49Å; V83-C184 HydrophobicContact CB-CB 4.32Å; V83-C184 HydrophobicContact CG2-CB 3.76Å; V83-A186 PolarHBondContact N-O 3.09Å; V83-A186 VanDerWaalsContact N-O 3.12Å; V83-S187 CarbonylContact O-C 3.53Å; V83-S187 WeakPolarHBondContact O-CA 3.27Å; V83-S187 WeakPolarHBondContact O-CB 3.39Å; V83-I188 PolarHBondContact O-N 3.29Å
84V98.7Very high95.2Very high0 Ų028.4 Ų28.40%012%0.119CC..EExtended strand (participates in β ladder)trans-118.2124.8-175.7177.50000110.3V82 F88 V118 I128 G130 K131 S132 I188V82-V84 HydrophobicContact CG1-CG2 4.43Å; V84-F88 HydrophobicContact CG1-CB 3.56Å; V84-F88 HydrophobicContact CG1-CD2 4.32Å; V84-F88 HydrophobicContact CG1-CG 4.16Å; V84-V118 HydrophobicContact CG1-CG2 3.86Å; V84-V118 HydrophobicContact CG2-CG2 4.33Å; V84-I128 HydrophobicContact CB-CG2 4.46Å; V84-I128 HydrophobicContact CG2-CD1 3.77Å; V84-I128 HydrophobicContact CG2-CG2 3.84Å; V84-G130 PolarHBondContact N-O 2.91Å; V84-K131 WeakPolarHBondContact O-CA 3.25Å; V84-K131 WeakPolarHBondContact O-CE 3.28Å; V84-K131 PolarHBondContact O-NZ 3.11Å; V84-S132 PolarHBondContact O-N 3.48Å; V84-S132 VanDerWaalsContact O-N 3.09Å; V84-I188 HydrophobicContact CG1-CB 4.42Å; V84-I188 HydrophobicContact CG2-CB 4.41Å; V84-I188 HydrophobicContact CG2-CG1 4.34Å
85K98.8Very high95.9Very high0 Ų027.7 Ų27.70%011%0.114CC..EExtended strand (participates in β ladder)trans-51.5141.8176.2-172.5176.5176.6-176.60112.9N87 F88 K131 S132 M134 S171 S172 I188 S190K85-N87 WeakPolarHBondContact CD-OD1 3.05Å; K85-N87 VanDerWaalsContact CG-OD1 3.3Å; K85-N87 WeakPolarHBondContact CG-OD1 3.26Å; K85-N87 PolarHBondContact O-N 3.28Å; K85-F88 HydrophobicContact CB-CD2 3.99Å; K85-F88 HydrophobicContact CB-CE2 4.17Å; K85-F88 PolarHBondContact O-N 3.14Å; K85-K131 WeakPolarHBondContact O-CE 3.35Å; K85-K131 PolarHBondContact O-NZ 2.82Å; K85-S132 WeakPolarHBondContact CA-OG 3.48Å; K85-S132 PolarHBondContact N-OG 3.35Å; K85-M134 HydrophobicContact CD-SD 4.24Å; K85-M134 HydrophobicContact CG-CB 4.27Å; K85-M134 HydrophobicContact CG-CG 4.45Å; K85-M134 HydrophobicContact CG-SD 3.62Å; K85-S171 WeakPolarHBondContact CE-O 3.46Å; K85-S171 PolarHBondContact NZ-OG 2.67Å; K85-S172 WeakPolarHBondContact CD-OG 3.38Å; K85-S172 WeakPolarHBondContact CE-OG 3.48Å; K85-S172 PolarHBondContact NZ-OG 3.42Å; K85-I188 WeakPolarHBondContact CB-O 3.43Å; K85-I188 PolarHBondContact N-O 3.36Å; K85-S190 WeakPolarHBondContact CD-OG 3.49Å; K85-S190 WeakPolarHBondContact CE-OG 3.5Å; K85-S190 PolarHBondContact NZ-O 2.96Å; K85-S190 PolarHBondContact NZ-OG 3.48Å
86D98.7Very high96.2Very high1 Ų129 Ų291%0.00512%0.124CC..THydrogen-bonded Turntrans-66.4-7.4-169.2-164.247.5000116L56 T99 T100 C101 A102 K131 S132 M134L56-D86 HydrophobicContact CD1-CB 3.83Å; D86-T99 WeakPolarHBondContact O-CG2 3.46Å; D86-T100 PolarHBondContact OD1-N 3.13Å; D86-T100 VanDerWaalsContact OD2-CA 3.23Å; D86-T100 WeakPolarHBondContact OD2-CA 3.3Å; D86-T100 WeakPolarHBondContact OD2-CB 3.46Å; D86-T100 PolarHBondContact OD2-N 3.29Å; D86-T100 PolarHBondContact OD2-OG1 3.35Å; D86-C101 PolarHBondContact O-N 2.97Å; D86-C101 PolarHBondContact OD2-N 3.47Å; D86-A102 PolarHBondContact OD2-N 2.84Å; D86-K131 VanDerWaalsContact CA-CE 3.43Å; D86-K131 HydrophobicContact CB-CB 4.36Å; D86-K131 WeakPolarHBondContact OD1-CE 3.31Å; D86-S132 VanDerWaalsContact CB-O 3.32Å; D86-S132 WeakPolarHBondContact CB-O 3.44Å; D86-S132 PolarHBondContact N-O 2.98Å; D86-M134 HydrophobicContact CB-CG 4.22Å; D86-M134 HydrophobicContact CB-SD 3.88Å
87N98.6Very high96.4Very high4 Ų427.9 Ų27.92%0.02112%0.118CC..THydrogen-bonded Turntrans-93.53.4171.568.1-18.7000115.2K85 M134 S190 L220 I221K85-N87 WeakPolarHBondContact CD-OD1 3.05Å; K85-N87 VanDerWaalsContact CG-OD1 3.3Å; K85-N87 WeakPolarHBondContact CG-OD1 3.26Å; K85-N87 PolarHBondContact O-N 3.28Å; N87-M134 HydrophobicContact CB-CE 3.84Å; N87-M134 HydrophobicContact CB-SD 3.88Å; N87-M134 PolarHBondContact N-SD 2.85Å; N87-S190 PolarHBondContact ND2-OG 3.49Å; N87-S190 PolarHBondContact OD1-OG 3.32Å; N87-L220 HydrophobicContact CB-CD1 4.37Å; N87-L220 WeakPolarHBondContact ND2-CD1 3.48Å; N87-I221 HydrophobicContact CB-CB 4.31Å; N87-I221 PolarHBondContact O-N 3.08Å
88F98.8Very high96.6Very high1 Ų131.6 Ų31.60%0.00414%0.135CC..BIsolated β-bridgetrans-95.9125.3168.3-68.8-92.9000110.8V84 K85 V90 A115 V117 V118 K131 I188 A189 L220 P230V84-F88 HydrophobicContact CG1-CB 3.56Å; V84-F88 HydrophobicContact CG1-CD2 4.32Å; V84-F88 HydrophobicContact CG1-CG 4.16Å; K85-F88 HydrophobicContact CB-CD2 3.99Å; K85-F88 HydrophobicContact CB-CE2 4.17Å; K85-F88 PolarHBondContact O-N 3.14Å; F88-V90 PolarHBondContact O-N 3.02Å; F88-A115 HydrophobicContact CB-CB 4.19Å; F88-A115 HydrophobicContact CD1-CB 3.93Å; F88-V117 HydrophobicContact CD1-CG2 3.62Å; F88-V117 HydrophobicContact CE1-CG2 3.62Å; F88-V118 HydrophobicContact CB-CG2 4.3Å; F88-K131 PolarHBondContact O-NZ 3.38Å; F88-I188 HydrophobicContact CD1-CG2 4.4Å; F88-I188 HydrophobicContact CD2-CG2 4.13Å; F88-I188 HydrophobicContact CE1-CG2 4.13Å; F88-I188 HydrophobicContact CE2-CG2 3.85Å; F88-I188 HydrophobicContact CG-CG2 4.4Å; F88-I188 HydrophobicContact CZ-CG2 3.84Å; F88-A189 VanDerWaalsContact CE2-O 3.23Å; F88-A189 WeakPolarHBondContact CE2-O 3.37Å; F88-A189 WeakPolarHBondContact CZ-O 3.4Å; F88-L220 HydrophobicContact CD1-CB 4.11Å; F88-L220 HydrophobicContact CD1-CD1 4.22Å; F88-L220 HydrophobicContact CD2-CD1 4.22Å; F88-L220 HydrophobicContact CE1-CB 3.87Å; F88-L220 HydrophobicContact CE1-CD1 3.88Å; F88-L220 HydrophobicContact CE1-CD2 4.25Å; F88-L220 HydrophobicContact CE1-CG 4.21Å; F88-L220 HydrophobicContact CE2-CD1 3.88Å; F88-L220 HydrophobicContact CG-CD1 4.38Å; F88-L220 HydrophobicContact CZ-CB 4.49Å; F88-L220 HydrophobicContact CZ-CD1 3.7Å; F88-L220 HydrophobicContact CZ-CD2 4.18Å; F88-L220 HydrophobicContact CZ-CG 4.34Å; F88-P230 HydrophobicContact CE1-CB 3.97Å; F88-P230 HydrophobicContact CE1-CG 4.34Å; F88-P230 HydrophobicContact CZ-CB 4.06Å
89C98.6Very high96.8Very high1 Ų131 Ų311%0.00713%0.131CC..  trans-58.1133.2174.5-72.60000111.4S111 Y113 D114 A115 G219C89-S111 WeakPolarHBondContact CB-OG 3.16Å; C89-Y113 HydrophobicContact CB-CD2 4.25Å; C89-Y113 HydrophobicContact CB-CE2 3.94Å; C89-D114 CarbonylContact O-C 3.58Å; C89-A115 PolarHBondContact O-N 3.12Å; C89-G219 WeakPolarHBondContact CB-O 3.23Å; C89-G219 PolarHBondContact N-O 2.95Å
90V98Very high97Very high0 Ų031.5 Ų31.50%013%0.134CC..  trans-125.2129.8167.8-179.30000107F88 Y92 L95 T99 S111 Y113 V118 K131F88-V90 PolarHBondContact O-N 3.02Å; V90-Y92 PolarHBondContact O-N 3.35Å; V90-L95 HydrophobicContact CG1-CB 3.95Å; V90-L95 HydrophobicContact CG1-CD1 4.06Å; V90-L95 HydrophobicContact CG1-CG 4.45Å; V90-T99 PolarHBondContact N-OG1 3.34Å; V90-S111 WeakPolarHBondContact O-CB 3.37Å; V90-Y113 CarbonylContact C-O 3.39Å; V90-V118 HydrophobicContact CG2-CG1 4.26Å; V90-K131 HydrophobicContact CG2-CD 4.19Å
91N97.2Very high97.1Very high30 Ų3031.5 Ų31.516%0.1613%0.134CC..  trans-63.1110-178.5-175-26.6000109.7R93 R94 L95 S111 P112 Y113 D114N91-R93 PolarHBondContact O-N 3.4Å; N91-R93 VanDerWaalsContact O-N 3.16Å; N91-R93 WeakPolarHBondContact OD1-CB 3.3Å; N91-R93 PolarHBondContact OD1-N 2.9Å; N91-R94 HydrophobicContact CB-CB 4.22Å; N91-R94 WeakPolarHBondContact O-CB 3.19Å; N91-R94 PolarHBondContact O-N 2.91Å; N91-L95 PolarHBondContact O-N 2.93Å; N91-S111 WeakPolarHBondContact CA-O 3.24Å; N91-P112 PolarHBondContact ND2-O 3.33Å; N91-P112 VanDerWaalsContact ND2-O 3.15Å; N91-Y113 PolarHBondContact N-O 3.14Å; N91-D114 WeakPolarHBondContact CB-OD1 2.98Å; N91-D114 PolarHBondContact N-OD1 3.44Å
92Y96.1Very high97.2Very high87 Ų8731.5 Ų31.534%0.34113%0.134SC..THydrogen-bonded Turntrans-62-29-173.8-170.1-94.9000113V90 R94 L95 P96 K98 C110 S111V90-Y92 PolarHBondContact O-N 3.35Å; Y92-R94 VanDerWaalsContact C-N 3.28Å; Y92-R94 PolarHBondContact O-N 3.33Å; Y92-L95 CarbonylContact C-O 3.2Å; Y92-L95 VanDerWaalsContact CA-O 3.24Å; Y92-L95 WeakPolarHBondContact CA-O 3.46Å; Y92-L95 CarbonylContact O-C 3.42Å; Y92-P96 HydrophobicContact CE1-CB 4.41Å; Y92-P96 HydrophobicContact CE2-CB 3.96Å; Y92-K98 HydrophobicContact CD2-CG 4.24Å; Y92-K98 HydrophobicContact CE2-CG 3.88Å; Y92-C110 HydrophobicContact CD1-CB 3.96Å; Y92-C110 HydrophobicContact CD2-CB 4.02Å; Y92-C110 HydrophobicContact CG-CB 3.6Å; Y92-S111 PolarHBondContact N-O 3.48Å
93R94.4Very high97.2Very high240 Ų24031.5 Ų31.591%0.90613%0.134SC*.THydrogen-bonded Turntrans-71.6-24.9176.4-67.5-175.3175.8174.1-0.9112.6N91N91-R93 PolarHBondContact O-N 3.4Å; N91-R93 VanDerWaalsContact O-N 3.16Å; N91-R93 WeakPolarHBondContact OD1-CB 3.3Å; N91-R93 PolarHBondContact OD1-N 2.9Å
94R92.4Very high97Very high138 Ų13835.5 Ų35.552%0.52115%0.151SC..THydrogen-bonded Turntrans-86.1-51.6175.9-175.5-175.6-71.7159.76.1110.7N91 Y92 D114 L122N91-R94 HydrophobicContact CB-CB 4.22Å; N91-R94 WeakPolarHBondContact O-CB 3.19Å; N91-R94 PolarHBondContact O-N 2.91Å; Y92-R94 VanDerWaalsContact C-N 3.28Å; Y92-R94 PolarHBondContact O-N 3.33Å; R94-D114 IonicContact CZ-OD2 3.83Å; R94-D114 VanDerWaalsContact CZ-OD2 3.26Å; R94-D114 IonicContact NH1-OD2 3.44Å; R94-D114 PolarHBondContact NH1-OD2 2.62Å; R94-D114 IonicContact NH2-OD2 3.94Å; R94-L122 VanDerWaalsContact NH1-CD1 3.33Å
95L93.9Very high97Very high9 Ų935.9 Ų35.95%0.04715%0.154CC..SBendtrans-130.8122.8178.6-58.7177.6000107.9L59 P64 V90 N91 Y92 L97 L122 I128L59-L95 HydrophobicContact CD1-CB 4.32Å; L59-L95 HydrophobicContact CD1-CD1 4.29Å; L59-L95 HydrophobicContact CD1-CD2 3.76Å; L59-L95 HydrophobicContact CD1-CG 4.34Å; P64-L95 HydrophobicContact CB-CD2 4.49Å; V90-L95 HydrophobicContact CG1-CB 3.95Å; V90-L95 HydrophobicContact CG1-CD1 4.06Å; V90-L95 HydrophobicContact CG1-CG 4.45Å; N91-L95 PolarHBondContact O-N 2.93Å; Y92-L95 CarbonylContact C-O 3.2Å; Y92-L95 VanDerWaalsContact CA-O 3.24Å; Y92-L95 WeakPolarHBondContact CA-O 3.46Å; Y92-L95 CarbonylContact O-C 3.42Å; L95-L97 HydrophobicContact CB-CD1 4.47Å; L95-L97 HydrophobicContact CB-CG 4.48Å; L95-L97 PolarHBondContact O-N 3.4Å; L95-L122 HydrophobicContact CD1-CD2 4.13Å; L95-I128 HydrophobicContact CD1-CB 3.84Å; L95-I128 HydrophobicContact CD1-CG1 4.29Å; L95-I128 HydrophobicContact CD1-CG2 4.32Å
96P94.8Very high96.9Very high56 Ų5635.9 Ų35.936%0.36415%0.154SC..  trans-74.853.7-175.532.3-37.8000112.9L59 I62 Y92L59-P96 HydrophobicContact CD2-CG 3.99Å; I62-P96 HydrophobicContact CD1-CG 3.97Å; Y92-P96 HydrophobicContact CE1-CB 4.41Å; Y92-P96 HydrophobicContact CE2-CB 3.96Å
97L95.8Very high96.7Very high2 Ų239.9 Ų39.91%0.0117%0.173CC..  trans-107.5113.9176-63.7175.6000108.3L59 L95 I128 K131L59-L97 HydrophobicContact CD1-CD1 4.36Å; L59-L97 HydrophobicContact CD2-CD1 4.35Å; L59-L97 HydrophobicContact CD2-CD2 3.85Å; L59-L97 HydrophobicContact CD2-CG 3.84Å; L59-L97 HydrophobicContact CG-CD1 4.12Å; L59-L97 HydrophobicContact CG-CD2 4.05Å; L59-L97 HydrophobicContact CG-CG 4.12Å; L95-L97 HydrophobicContact CB-CD1 4.47Å; L95-L97 HydrophobicContact CB-CG 4.48Å; L95-L97 PolarHBondContact O-N 3.4Å; L97-I128 HydrophobicContact CD1-CG2 3.97Å; L97-K131 HydrophobicContact CB-CD 4.05Å; L97-K131 HydrophobicContact CB-CG 3.97Å; L97-K131 HydrophobicContact CD1-CD 4.3Å; L97-K131 HydrophobicContact CD1-CG 4.46Å; L97-K131 HydrophobicContact CD2-CG 4.38Å
98K97Very high96.5Very high80 Ų8042.7 Ų42.735%0.34819%0.187SC..  trans-67.7160.1173.3-65.4178.2-179.3171.30110.3Y92 T100 E107 F109Y92-K98 HydrophobicContact CD2-CG 4.24Å; Y92-K98 HydrophobicContact CE2-CG 3.88Å; K98-T100 HydrophobicContact CB-CG2 3.88Å; K98-E107 VanDerWaalsContact CD-O 3.31Å; K98-E107 WeakPolarHBondContact CD-O 3.26Å; K98-E107 PolarHBondContact NZ-O 2.79Å; K98-F109 WeakPolarHBondContact CB-O 3.4Å
99T98.2Very high96.4Very high0 Ų043.8 Ų43.80%019%0.192CC..  trans-116.596.6174.2-56.30000107.3D86 V90 F109 I221D86-T99 WeakPolarHBondContact O-CG2 3.46Å; V90-T99 PolarHBondContact N-OG1 3.34Å; T99-F109 PolarHBondContact N-O 2.95Å; T99-F109 VanDerWaalsContact N-O 3.13Å; T99-F109 WeakPolarHBondContact O-CD1 3.32Å; T99-I221 HydrophobicContact CG2-CD1 3.59Å
100T98Very high96.3Very high13 Ų1346.2 Ų46.28%0.0821%0.209CC..  trans-103.9-8.9-167.978.60000113.8D86 K98 A102 S103 L106D86-T100 PolarHBondContact OD1-N 3.13Å; D86-T100 VanDerWaalsContact OD2-CA 3.23Å; D86-T100 WeakPolarHBondContact OD2-CA 3.3Å; D86-T100 WeakPolarHBondContact OD2-CB 3.46Å; D86-T100 PolarHBondContact OD2-N 3.29Å; D86-T100 PolarHBondContact OD2-OG1 3.35Å; K98-T100 HydrophobicContact CB-CG2 3.88Å; T100-A102 PolarHBondContact O-N 3.31Å; T100-A102 VanDerWaalsContact O-N 3.1Å; T100-A102 PolarHBondContact OG1-N 3.46Å; T100-S103 WeakPolarHBondContact O-CB 3.31Å; T100-S103 PolarHBondContact O-N 3.1Å; T100-L106 WeakPolarHBondContact CG2-O 3.18Å; T100-L106 WeakPolarHBondContact O-CB 3.11Å
101C98.4Very high96.3Very high0 Ų046.2 Ų46.20%021%0.209CC..THydrogen-bonded Turntrans49.429.8-169.8-660000113.5D86 S103 L106 E136 F137 I221D86-C101 PolarHBondContact O-N 2.97Å; D86-C101 PolarHBondContact OD2-N 3.47Å; C101-S103 PolarHBondContact O-N 3.44Å; C101-S103 VanDerWaalsContact O-N 3.11Å; C101-L106 HydrophobicContact CB-CD1 4.16Å; C101-E136 WeakPolarHBondContact O-CA 3.12Å; C101-F137 HydrophobicContact CB-CD1 3.6Å; C101-F137 HydrophobicContact CB-CE1 3.74Å; C101-F137 HydrophobicContact CB-CG 4.05Å; C101-F137 HydrophobicContact CB-CZ 4.31Å; C101-F137 PolarHBondContact O-N 3.15Å; C101-I221 WeakPolarHBondContact SG-CD1 3.34Å
102A98.2Very high96.3Very high0 Ų049.2 Ų49.20%023%0.23CC..THydrogen-bonded Turntrans50.328.7-17000000114.1L56 D86 T100 M134 A147 V148L56-A102 HydrophobicContact CD1-CB 4.11Å; D86-A102 PolarHBondContact OD2-N 2.84Å; T100-A102 PolarHBondContact O-N 3.31Å; T100-A102 VanDerWaalsContact O-N 3.1Å; T100-A102 PolarHBondContact OG1-N 3.46Å; A102-M134 HydrophobicContact CB-CG 3.72Å; A102-M134 WeakPolarHBondContact CB-O 3.13Å; A102-A147 WeakPolarHBondContact O-CB 3.43Å; A102-A147 PolarHBondContact O-N 2.58Å; A102-V148 VanDerWaalsContact C-CG2 3.46Å
103S98Very high96.3Very high0 Ų049.9 Ų49.90%023%0.232CC..SBendtrans-118.6142.2-175.7-176.40000111.5T100 C101 S105 L106 E107 E136 F137 G395T100-S103 WeakPolarHBondContact O-CB 3.31Å; T100-S103 PolarHBondContact O-N 3.1Å; C101-S103 PolarHBondContact O-N 3.44Å; C101-S103 VanDerWaalsContact O-N 3.11Å; S103-S105 WeakPolarHBondContact CB-OG 3.29Å; S103-S105 PolarHBondContact O-N 3.31Å; S103-S105 WeakPolarHBondContact OG-CB 3.45Å; S103-S105 PolarHBondContact OG-N 3.29Å; S103-S105 VanDerWaalsContact OG-N 3.1Å; S103-S105 PolarHBondContact OG-OG 3.26Å; S103-L106 PolarHBondContact O-N 3.19Å; S103-E107 PolarHBondContact O-N 2.97Å; S103-E136 VanDerWaalsContact CB-OE1 3.23Å; S103-E136 WeakPolarHBondContact CB-OE1 3.27Å; S103-E136 PolarHBondContact OG-OE1 3.45Å; S103-F137 VanDerWaalsContact CB-CE2 3.47Å; S103-F137 VanDerWaalsContact OG-CE2 3.31Å; S103-F137 WeakPolarHBondContact OG-CE2 3.48Å; S103-G395 PolarHBondContact OG-O 3.42Å
104K95.5Very high96.5Very high84 Ų8439 Ų3937%0.36519%0.192SC..G310 helixtrans-59.4-35167.9-176.3175.3175.6-172.80111.6L106 E107 F367K104-L106 PolarHBondContact O-N 3.46Å; K104-E107 WeakPolarHBondContact O-CB 3.22Å; K104-E107 WeakPolarHBondContact O-CG 3.37Å; K104-E107 PolarHBondContact O-N 2.6Å; K104-E107 VanDerWaalsContact O-N 3.12Å; K104-F367 WeakPolarHBondContact O-CB 3.34Å
105S96.7Very high96.8Very high7 Ų732.4 Ų32.45%0.04917%0.167CC..G310 helixtrans-55.5-2417968.80000114S103 F137 G366 F367 G395S103-S105 WeakPolarHBondContact CB-OG 3.29Å; S103-S105 PolarHBondContact O-N 3.31Å; S103-S105 WeakPolarHBondContact OG-CB 3.45Å; S103-S105 PolarHBondContact OG-N 3.29Å; S103-S105 VanDerWaalsContact OG-N 3.1Å; S103-S105 PolarHBondContact OG-OG 3.26Å; S105-F137 WeakPolarHBondContact OG-CE2 3.48Å; S105-F137 WeakPolarHBondContact OG-CZ 3.37Å; S105-G366 CarbonylContact O-C 3.45Å; S105-G366 WeakPolarHBondContact O-CA 3.45Å; S105-F367 PolarHBondContact O-N 3.47Å; S105-G395 WeakPolarHBondContact CB-O 3.39Å; S105-G395 PolarHBondContact N-O 2.69Å
106L97.4Very high97Very high0 Ų032.1 Ų32.10%017%0.166CC..G310 helixtrans-12417.7179.9-66.1178.6000113.5T100 C101 S103 K104 N108 F109 F137 I221 Y360T100-L106 WeakPolarHBondContact CG2-O 3.18Å; T100-L106 WeakPolarHBondContact O-CB 3.11Å; C101-L106 HydrophobicContact CB-CD1 4.16Å; S103-L106 PolarHBondContact O-N 3.19Å; K104-L106 PolarHBondContact O-N 3.46Å; L106-N108 PolarHBondContact O-N 2.95Å; L106-F109 HydrophobicContact CB-CB 4.03Å; L106-F109 HydrophobicContact CD2-CB 3.84Å; L106-F109 HydrophobicContact CD2-CD1 4.46Å; L106-F109 HydrophobicContact CD2-CG 4.09Å; L106-F109 WeakPolarHBondContact O-CB 3.45Å; L106-F109 PolarHBondContact O-N 2.99Å; L106-F137 HydrophobicContact CD1-CE1 3.63Å; L106-F137 HydrophobicContact CD1-CZ 3.77Å; L106-F137 HydrophobicContact CG-CE1 4.42Å; L106-F137 HydrophobicContact CG-CZ 4.07Å; L106-I221 HydrophobicContact CD1-CD1 4Å; L106-Y360 HydrophobicContact CD1-CE1 3.83Å; L106-Y360 HydrophobicContact CD2-CD1 3.77Å; L106-Y360 HydrophobicContact CD2-CE1 3.68Å; L106-Y360 HydrophobicContact CG-CD1 4.27Å; L106-Y360 HydrophobicContact CG-CE1 4.05Å
107E94.5Very high97.2Very high86 Ų8629.5 Ų29.540%0.40215%0.149SC..THydrogen-bonded Turntrans-53-26.5-175.668.4-175.7177.600114.8K98 S103 K104K98-E107 VanDerWaalsContact CD-O 3.31Å; K98-E107 WeakPolarHBondContact CD-O 3.26Å; K98-E107 PolarHBondContact NZ-O 2.79Å; S103-E107 PolarHBondContact O-N 2.97Å; K104-E107 WeakPolarHBondContact O-CB 3.22Å; K104-E107 WeakPolarHBondContact O-CG 3.37Å; K104-E107 PolarHBondContact O-N 2.6Å; K104-E107 VanDerWaalsContact O-N 3.12Å
108N94Very high97.3Very high62 Ų6229.4 Ų29.433%0.33215%0.149SC..THydrogen-bonded Turntrans-120.316.3-179.465.1-10.8000112.9L106 C110 G366 F367L106-N108 PolarHBondContact O-N 2.95Å; N108-C110 PolarHBondContact O-N 2.56Å; N108-G366 WeakPolarHBondContact OD1-CA 3.25Å; N108-G366 PolarHBondContact OD1-O 3.36Å; N108-G366 VanDerWaalsContact OD1-O 3.14Å; N108-F367 PolarHBondContact OD1-N 3.45Å
109F96.9Very high97.3Very high25 Ų2526.8 Ų26.811%0.1114%0.141CC..  trans-76113.4177.7-179.2-116.9000111.7K98 T99 L106 Y365K98-F109 WeakPolarHBondContact CB-O 3.4Å; T99-F109 PolarHBondContact N-O 2.95Å; T99-F109 VanDerWaalsContact N-O 3.13Å; T99-F109 WeakPolarHBondContact O-CD1 3.32Å; L106-F109 HydrophobicContact CB-CB 4.03Å; L106-F109 HydrophobicContact CD2-CB 3.84Å; L106-F109 HydrophobicContact CD2-CD1 4.46Å; L106-F109 HydrophobicContact CD2-CG 4.09Å; L106-F109 WeakPolarHBondContact O-CB 3.45Å; L106-F109 PolarHBondContact O-N 2.99Å; F109-Y365 HydrophobicContact CD2-CD1 4.21Å; F109-Y365 AromaticContact CE2-CD1 3.74Å; F109-Y365 HydrophobicContact CE2-CD1 3.74Å; F109-Y365 HydrophobicContact CE2-CE1 4.37Å; F109-Y365 HydrophobicContact CZ-CD1 4.21Å
110C96.9Very high97.2Very high51 Ų5126.8 Ų26.835%0.34514%0.141SC..  trans-100.7106.1172.9-63.30000109.1Y92 N108Y92-C110 HydrophobicContact CD1-CB 3.96Å; Y92-C110 HydrophobicContact CD2-CB 4.02Å; Y92-C110 HydrophobicContact CG-CB 3.6Å; N108-C110 PolarHBondContact O-N 2.56Å
111S97.6Very high97.1Very high1 Ų126.2 Ų26.21%0.00714%0.137CC..  trans-66.7135.6-178.2-179.60000111.4C89 V90 N91 Y92 Y113C89-S111 WeakPolarHBondContact CB-OG 3.16Å; V90-S111 WeakPolarHBondContact O-CB 3.37Å; N91-S111 WeakPolarHBondContact CA-O 3.24Å; Y92-S111 PolarHBondContact N-O 3.48Å; S111-Y113 VanDerWaalsContact C-N 3.3Å; S111-Y113 PolarHBondContact OG-N 3.13Å; S111-Y113 PolarHBondContact OG-O 3.12Å
112P97.1Very high96.9Very high92 Ų9227.1 Ų27.160%0.59714%0.142SC*.SBendtrans-82.7-4175.630.4-29.5000113.8N91N91-P112 PolarHBondContact ND2-O 3.33Å; N91-P112 VanDerWaalsContact ND2-O 3.15Å
113Y97.9Very high96.7Very high101 Ų10130.4 Ų30.440%0.39616%0.157SC..SBendtrans-144.7164.6-179.361.5-95.3000111.6C89 V90 N91 S111 H218C89-Y113 HydrophobicContact CB-CD2 4.25Å; C89-Y113 HydrophobicContact CB-CE2 3.94Å; V90-Y113 CarbonylContact C-O 3.39Å; N91-Y113 PolarHBondContact N-O 3.14Å; S111-Y113 VanDerWaalsContact C-N 3.3Å; S111-Y113 PolarHBondContact OG-N 3.13Å; S111-Y113 PolarHBondContact OG-O 3.12Å; Y113-H218 AromaticContact CD2-NE2 3.95Å
114D98.2Very high96.4Very high11 Ų1130.5 Ų30.56%0.05916%0.158CC..  trans-92.6148.1174-61.8-59.2000110.6C89 N91 R94 V118 S119C89-D114 CarbonylContact O-C 3.58Å; N91-D114 WeakPolarHBondContact CB-OD1 2.98Å; N91-D114 PolarHBondContact N-OD1 3.44Å; R94-D114 IonicContact CZ-OD2 3.83Å; R94-D114 VanDerWaalsContact CZ-OD2 3.26Å; R94-D114 IonicContact NH1-OD2 3.44Å; R94-D114 PolarHBondContact NH1-OD2 2.62Å; R94-D114 IonicContact NH2-OD2 3.94Å; D114-V118 HydrophobicContact CB-CB 4.31Å; D114-V118 HydrophobicContact CB-CG1 4.14Å; D114-S119 VanDerWaalsContact CB-OG 3.28Å; D114-S119 WeakPolarHBondContact CB-OG 3.17Å
115A98.6Very high96.3Very high0 Ų026.6 Ų26.60%014%0.141CC..  trans-58.4151.1163.500000110.6F88 C89 V117 V118 S119 H218F88-A115 HydrophobicContact CB-CB 4.19Å; F88-A115 HydrophobicContact CD1-CB 3.93Å; C89-A115 PolarHBondContact O-N 3.12Å; A115-V117 VanDerWaalsContact C-N 3.28Å; A115-V117 HydrophobicContact CB-CG2 4.21Å; A115-V117 PolarHBondContact O-N 3.22Å; A115-V118 HydrophobicContact CB-CB 4.26Å; A115-V118 HydrophobicContact CB-CG2 3.99Å; A115-V118 WeakPolarHBondContact O-CA 3.44Å; A115-V118 WeakPolarHBondContact O-CB 3.35Å; A115-V118 PolarHBondContact O-N 3.02Å; A115-S119 PolarHBondContact O-N 2.96Å; A115-S119 PolarHBondContact O-OG 3.16Å; A115-H218 CarbonylContact C-O 3.58Å; A115-H218 WeakPolarHBondContact CA-O 3.37Å; A115-H218 WeakPolarHBondContact CB-O 3.35Å
116A98.4Very high96.2Very high4 Ų426.5 Ų26.53%0.03314%0.141CC..Hα-helixtrans-55.8-43.7-178.700000112.2V118 S119 S120 S216 H218 F254A116-V118 VanDerWaalsContact C-N 3.34Å; A116-V118 PolarHBondContact O-N 2.72Å; A116-S119 PolarHBondContact O-N 3.5Å; A116-S120 PolarHBondContact O-N 3.14Å; A116-S216 WeakPolarHBondContact CB-OG 3.32Å; A116-H218 HydrophobicContact CB-CB 3.92Å; A116-H218 PolarHBondContact N-O 3.43Å; A116-F254 VanDerWaalsContact CB-O 3.3Å; A116-F254 WeakPolarHBondContact CB-O 3.3Å
117V98.5Very high96Very high1 Ų126.5 Ų26.51%0.00614%0.141CC..Hα-helixtrans-65.9-33.1175.4-67.80000113.7F88 A115 L121 I188 V215 P230 W247 A255F88-V117 HydrophobicContact CD1-CG2 3.62Å; F88-V117 HydrophobicContact CE1-CG2 3.62Å; A115-V117 VanDerWaalsContact C-N 3.28Å; A115-V117 HydrophobicContact CB-CG2 4.21Å; A115-V117 PolarHBondContact O-N 3.22Å; V117-L121 WeakPolarHBondContact O-CG 3.47Å; V117-L121 PolarHBondContact O-N 3.12Å; V117-I188 HydrophobicContact CG2-CG2 4.24Å; V117-V215 HydrophobicContact CG1-CG1 3.28Å; V117-P230 HydrophobicContact CG1-CB 3.91Å; V117-P230 HydrophobicContact CG1-CG 4.2Å; V117-W247 HydrophobicContact CB-CD2 4.36Å; V117-W247 HydrophobicContact CB-CH2 4.35Å; V117-W247 HydrophobicContact CB-CZ2 3.56Å; V117-W247 HydrophobicContact CG1-CD2 3.96Å; V117-W247 HydrophobicContact CG1-CE3 4.33Å; V117-W247 HydrophobicContact CG1-CH2 4.09Å; V117-W247 HydrophobicContact CG1-CZ2 3.71Å; V117-W247 HydrophobicContact CG1-CZ3 4.38Å; V117-W247 HydrophobicContact CG2-CZ2 4.26Å; V117-W247 PolarHBondContact O-NE1 3.18Å; V117-A255 HydrophobicContact CG1-CB 4.22Å
118V97.9Very high96.1Very high0 Ų022.4 Ų22.40%012%0.122CC..Hα-helixtrans-73-42.3176.3173.20000110.1V84 F88 V90 D114 A115 A116 S120 L121 L122V84-V118 HydrophobicContact CG1-CG2 3.86Å; V84-V118 HydrophobicContact CG2-CG2 4.33Å; F88-V118 HydrophobicContact CB-CG2 4.3Å; V90-V118 HydrophobicContact CG2-CG1 4.26Å; D114-V118 HydrophobicContact CB-CB 4.31Å; D114-V118 HydrophobicContact CB-CG1 4.14Å; A115-V118 HydrophobicContact CB-CB 4.26Å; A115-V118 HydrophobicContact CB-CG2 3.99Å; A115-V118 WeakPolarHBondContact O-CA 3.44Å; A115-V118 WeakPolarHBondContact O-CB 3.35Å; A115-V118 PolarHBondContact O-N 3.02Å; A116-V118 VanDerWaalsContact C-N 3.34Å; A116-V118 PolarHBondContact O-N 2.72Å; V118-S120 VanDerWaalsContact C-N 3.3Å; V118-S120 PolarHBondContact O-N 3.19Å; V118-L121 PolarHBondContact O-N 3.47Å; V118-L122 HydrophobicContact CG1-CD1 3.78Å; V118-L122 HydrophobicContact CG1-CG 4.25Å; V118-L122 WeakPolarHBondContact O-CB 3.36Å; V118-L122 WeakPolarHBondContact O-CG 3.45Å; V118-L122 PolarHBondContact O-N 3.31Å
119S96.8Very high96.2Very high25 Ų2519.5 Ų19.518%0.17511%0.106CC..Hα-helixtrans-57.9-44.1174.5-63.40000111.5D114 A115 A116 L122 H123D114-S119 VanDerWaalsContact CB-OG 3.28Å; D114-S119 WeakPolarHBondContact CB-OG 3.17Å; A115-S119 PolarHBondContact O-N 2.96Å; A115-S119 PolarHBondContact O-OG 3.16Å; A116-S119 PolarHBondContact O-N 3.5Å; S119-L122 PolarHBondContact O-N 3.05Å; S119-H123 VanDerWaalsContact O-CB 3.3Å; S119-H123 WeakPolarHBondContact O-CB 3.49Å; S119-H123 PolarHBondContact O-N 3.46Å
120S96.4Very high96.2Very high0 Ų018.3 Ų18.30%010%0.101CC..Hα-helixtrans-59.5-49176.7169.20000112A116 V118 H123 S124 S246 N252A116-S120 PolarHBondContact O-N 3.14Å; V118-S120 VanDerWaalsContact C-N 3.3Å; V118-S120 PolarHBondContact O-N 3.19Å; S120-H123 WeakPolarHBondContact O-CB 3.49Å; S120-H123 PolarHBondContact O-N 3.18Å; S120-S124 PolarHBondContact O-N 2.9Å; S120-S124 PolarHBondContact O-OG 2.86Å; S120-S246 PolarHBondContact OG-O 2.74Å; S120-S246 VanDerWaalsContact OG-O 3.04Å; S120-N252 PolarHBondContact O-ND2 2.94Å
121L95.9Very high96.3Very high0 Ų015.9 Ų15.90%08%0.084CC..Hα-helixtrans-64.1-43.7178.6-73.7174.7000113.5M77 V82 V117 V118 H123 S124 G125 A126 I128 I188 V243M77-L121 HydrophobicContact CE-CD2 4.01Å; M77-L121 HydrophobicContact CG-CD2 4.17Å; V82-L121 HydrophobicContact CG1-CD1 4.11Å; V117-L121 WeakPolarHBondContact O-CG 3.47Å; V117-L121 PolarHBondContact O-N 3.12Å; V118-L121 PolarHBondContact O-N 3.47Å; L121-H123 VanDerWaalsContact C-N 3.3Å; L121-H123 PolarHBondContact O-N 2.82Å; L121-S124 CarbonylContact O-C 3.2Å; L121-S124 PolarHBondContact O-N 2.77Å; L121-G125 PolarHBondContact O-N 2.97Å; L121-A126 HydrophobicContact CB-CB 4.03Å; L121-A126 HydrophobicContact CD2-CB 4.5Å; L121-A126 VanDerWaalsContact O-CB 3.3Å; L121-A126 WeakPolarHBondContact O-CB 3.44Å; L121-A126 PolarHBondContact O-N 3Å; L121-I128 HydrophobicContact CD1-CD1 4.43Å; L121-I188 HydrophobicContact CD1-CD1 3.82Å; L121-I188 HydrophobicContact CD1-CG1 3.61Å; L121-V243 HydrophobicContact CD2-CG1 4.41Å
122L94.5Very high96.3Very high20 Ų2015.8 Ų15.811%0.1058%0.084CC..Hα-helixtrans-62.8-40.1176.9-73.3172.8000111.1R94 L95 V118 S119 S124 G125 I128R94-L122 VanDerWaalsContact NH1-CD1 3.33Å; L95-L122 HydrophobicContact CD1-CD2 4.13Å; V118-L122 HydrophobicContact CG1-CD1 3.78Å; V118-L122 HydrophobicContact CG1-CG 4.25Å; V118-L122 WeakPolarHBondContact O-CB 3.36Å; V118-L122 WeakPolarHBondContact O-CG 3.45Å; V118-L122 PolarHBondContact O-N 3.31Å; S119-L122 PolarHBondContact O-N 3.05Å; L122-S124 VanDerWaalsContact C-N 3.33Å; L122-G125 PolarHBondContact O-N 2.88Å; L122-G125 VanDerWaalsContact O-N 3.07Å; L122-I128 HydrophobicContact CD2-CG1 3.64Å; L122-I128 HydrophobicContact CG-CG1 4.13Å
123H92.7Very high96.4Very high69 Ų6911.4 Ų11.432%0.3196%0.055SC..Hα-helixtrans-63.3-39.9174.3-176.684.2000111.8T69 S119 S120 L121 G125 N252 F254T69-H123 WeakPolarHBondContact CG2-O 3.24Å; S119-H123 VanDerWaalsContact O-CB 3.3Å; S119-H123 WeakPolarHBondContact O-CB 3.49Å; S119-H123 PolarHBondContact O-N 3.46Å; S120-H123 WeakPolarHBondContact O-CB 3.49Å; S120-H123 PolarHBondContact O-N 3.18Å; L121-H123 VanDerWaalsContact C-N 3.3Å; L121-H123 PolarHBondContact O-N 2.82Å; H123-G125 PolarHBondContact O-N 3.03Å; H123-N252 PolarHBondContact CD2-ND2 2.95Å; H123-N252 VanDerWaalsContact CD2-ND2 3.35Å; H123-F254 HydrophobicContact CB-CD2 3.91Å; H123-F254 HydrophobicContact CB-CE2 3.85Å; H123-F254 AromaticContact CG-CE2 3.79Å; H123-F254 AromaticContact ND1-CE2 3.74Å
124S93.1Very high96.4Very high2 Ų26.6 Ų6.61%0.0144%0.037CC..THydrogen-bonded Turntrans-75.29.5172.9-65.10000114D75 M77 T78 S120 L121 L122 S246D75-S124 WeakPolarHBondContact CB-O 3.33Å; M77-S124 CarbonylContact C-O 3.58Å; M77-S124 VanDerWaalsContact C-O 3.26Å; T78-S124 WeakPolarHBondContact CA-O 3.34Å; T78-S124 PolarHBondContact N-O 3.24Å; T78-S124 VanDerWaalsContact N-O 3.13Å; S120-S124 PolarHBondContact O-N 2.9Å; S120-S124 PolarHBondContact O-OG 2.86Å; L121-S124 CarbonylContact O-C 3.2Å; L121-S124 PolarHBondContact O-N 2.77Å; L122-S124 VanDerWaalsContact C-N 3.33Å; S124-S246 WeakPolarHBondContact CB-OG 3.25Å; S124-S246 PolarHBondContact OG-OG 3.26Å
125G92.3Very high96.4Very high2 Ų26.1 Ų6.12%0.0213%0.034CC..THydrogen-bonded Turntrans80.813.3172.900000116M77 S79 L121 L122 H123M77-G125 CarbonylContact O-C 3.51Å; S79-G125 PolarHBondContact N-O 3.03Å; L121-G125 PolarHBondContact O-N 2.97Å; L122-G125 PolarHBondContact O-N 2.88Å; L122-G125 VanDerWaalsContact O-N 3.07Å; H123-G125 PolarHBondContact O-N 3.03Å
126A94.8Very high96.4Very high4 Ų46.5 Ų6.53%0.0334%0.036CC..  trans-65.7145.9179.400000112.8M77 V82 L121 I128M77-A126 HydrophobicContact CB-CB 4.3Å; M77-A126 WeakPolarHBondContact O-CA 3.33Å; M77-A126 PolarHBondContact O-N 3.27Å; V82-A126 HydrophobicContact CG2-CB 4.22Å; L121-A126 HydrophobicContact CB-CB 4.03Å; L121-A126 HydrophobicContact CD2-CB 4.5Å; L121-A126 VanDerWaalsContact O-CB 3.3Å; L121-A126 WeakPolarHBondContact O-CB 3.44Å; L121-A126 PolarHBondContact O-N 3Å; A126-I128 PolarHBondContact O-N 3.22Å
127F93.9Very high96.4Very high1 Ų16.5 Ų6.50%0.0044%0.035CC..EExtended strand (participates in β ladder)trans-88.8104.5170.5-68.5-27.1000110.5P20 W24 M63 P64 S79 I80 V82 M129P20-F127 HydrophobicContact CB-CE2 4.15Å; P20-F127 HydrophobicContact CB-CZ 3.96Å; P20-F127 WeakPolarHBondContact O-CE2 3.47Å; W24-F127 HydrophobicContact CB-CD2 4.16Å; W24-F127 HydrophobicContact CB-CE2 4.08Å; M63-F127 HydrophobicContact CE-CE1 4.4Å; M63-F127 HydrophobicContact CE-CE2 4.12Å; M63-F127 HydrophobicContact CE-CZ 3.59Å; P64-F127 HydrophobicContact CB-CD1 3.93Å; P64-F127 HydrophobicContact CB-CE1 4.35Å; P64-F127 HydrophobicContact CG-CB 4.5Å; P64-F127 HydrophobicContact CG-CD1 4.07Å; P64-F127 VanDerWaalsContact O-CE1 3.31Å; P64-F127 WeakPolarHBondContact O-CE1 3.46Å; S79-F127 WeakPolarHBondContact O-CD2 3.16Å; I80-F127 PolarHBondContact O-N 2.76Å; V82-F127 PolarHBondContact N-O 3.21Å; F127-M129 HydrophobicContact CB-SD 3.69Å; F127-M129 PolarHBondContact O-N 3.13Å; F127-M129 VanDerWaalsContact O-N 3.14Å
128I95.7Very high96.4Very high0 Ų06.6 Ų6.60%04%0.036CC..EExtended strand (participates in β ladder)trans-73.4106.1169.9-54.9-52.3000108.7L59 V82 V84 L95 L97 L121 L122 A126L59-I128 WeakPolarHBondContact CD1-O 3.41Å; V82-I128 HydrophobicContact CB-CD1 4.15Å; V82-I128 HydrophobicContact CG1-CD1 4.28Å; V82-I128 CarbonylContact O-C 3.59Å; V82-I128 WeakPolarHBondContact O-CA 3.46Å; V84-I128 HydrophobicContact CB-CG2 4.46Å; V84-I128 HydrophobicContact CG2-CD1 3.77Å; V84-I128 HydrophobicContact CG2-CG2 3.84Å; L95-I128 HydrophobicContact CD1-CB 3.84Å; L95-I128 HydrophobicContact CD1-CG1 4.29Å; L95-I128 HydrophobicContact CD1-CG2 4.32Å; L97-I128 HydrophobicContact CD1-CG2 3.97Å; L121-I128 HydrophobicContact CD1-CD1 4.43Å; L122-I128 HydrophobicContact CD2-CG1 3.64Å; L122-I128 HydrophobicContact CG-CG1 4.13Å; A126-I128 PolarHBondContact O-N 3.22Å
129M95.9Very high96.4Very high0 Ų06.6 Ų6.60%04%0.036CC..EExtended strand (participates in β ladder)trans-79.9-27.8-172.4-54.2-54.9-73.700112.9W24 F27 I28 I31 S58 L59 P81 V82 V83 F127W24-M129 HydrophobicContact CG-CE 4.42Å; F27-M129 HydrophobicContact CB-CE 3.8Å; I28-M129 HydrophobicContact CD1-CE 3.59Å; I28-M129 HydrophobicContact CG1-CE 3.57Å; I31-M129 HydrophobicContact CD1-CB 3.75Å; I31-M129 HydrophobicContact CD1-CG 4.48Å; S58-M129 WeakPolarHBondContact CA-O 3.38Å; L59-M129 PolarHBondContact N-O 3.18Å; P81-M129 HydrophobicContact CB-CE 4.29Å; P81-M129 HydrophobicContact CB-CG 3.65Å; P81-M129 HydrophobicContact CB-SD 3.72Å; V82-M129 PolarHBondContact O-N 3.26Å; V83-M129 HydrophobicContact CG2-CB 4.17Å; F127-M129 HydrophobicContact CB-SD 3.69Å; F127-M129 PolarHBondContact O-N 3.13Å; F127-M129 VanDerWaalsContact O-N 3.14Å
130G96.8Very high96.3Very high0 Ų05.6 Ų5.60%03%0.029CC..EExtended strand (participates in β ladder)trans168.4-172.7-173.300000114.3S57 V84S57-G130 CarbonylContact O-C 3.53Å; S57-G130 WeakPolarHBondContact O-CA 3.15Å; V84-G130 PolarHBondContact N-O 2.91Å
131K98.5Very high96.3Very high0 Ų05.6 Ų5.60%03%0.029CC..EExtended strand (participates in β ladder)trans-105.9123.3179.1-56.9-59.9-55.5177.50110.3I55 L56 S57 V84 K85 D86 F88 V90 L97I55-K131 CarbonylContact C-O 3.6Å; L56-K131 PolarHBondContact N-O 3.22Å; S57-K131 PolarHBondContact O-N 2.89Å; S57-K131 WeakPolarHBondContact OG-CB 3.22Å; S57-K131 VanDerWaalsContact OG-CG 3.26Å; S57-K131 WeakPolarHBondContact OG-CG 2.96Å; V84-K131 WeakPolarHBondContact O-CA 3.25Å; V84-K131 WeakPolarHBondContact O-CE 3.28Å; V84-K131 PolarHBondContact O-NZ 3.11Å; K85-K131 WeakPolarHBondContact O-CE 3.35Å; K85-K131 PolarHBondContact O-NZ 2.82Å; D86-K131 VanDerWaalsContact CA-CE 3.43Å; D86-K131 HydrophobicContact CB-CB 4.36Å; D86-K131 WeakPolarHBondContact OD1-CE 3.31Å; F88-K131 PolarHBondContact O-NZ 3.38Å; V90-K131 HydrophobicContact CG2-CD 4.19Å; L97-K131 HydrophobicContact CB-CD 4.05Å; L97-K131 HydrophobicContact CB-CG 3.97Å; L97-K131 HydrophobicContact CD1-CD 4.3Å; L97-K131 HydrophobicContact CD1-CG 4.46Å; L97-K131 HydrophobicContact CD2-CG 4.38Å
132S98.8Very high96.4Very high0 Ų05.6 Ų5.60%03%0.029CC..EExtended strand (participates in β ladder)trans-80.5145.5175.5430000112.6S54 V83 V84 K85 D86 S175S54-S132 CarbonylContact O-C 3.26Å; S54-S132 WeakPolarHBondContact O-CA 3.43Å; S54-S132 WeakPolarHBondContact O-CB 3.23Å; V83-S132 VanDerWaalsContact CG1-CB 3.49Å; V84-S132 PolarHBondContact O-N 3.48Å; V84-S132 VanDerWaalsContact O-N 3.09Å; K85-S132 WeakPolarHBondContact CA-OG 3.48Å; K85-S132 PolarHBondContact N-OG 3.35Å; D86-S132 VanDerWaalsContact CB-O 3.32Å; D86-S132 WeakPolarHBondContact CB-O 3.44Å; D86-S132 PolarHBondContact N-O 2.98Å; S132-S175 PolarHBondContact OG-OG 3.14Å
133N98.7Very high96.5Very high0 Ų04.7 Ų4.70%02%0.024CC..  trans-66.5155.3173.2-164.38.6000111.4N53 S54 L56 S146 G150 V152 G174N53-N133 WeakPolarHBondContact O-CB 3.27Å; N53-N133 PolarHBondContact O-ND2 2.95Å; S54-N133 PolarHBondContact O-N 3.47Å; L56-N133 HydrophobicContact CD1-CB 4.43Å; L56-N133 HydrophobicContact CD2-CB 3.87Å; L56-N133 WeakPolarHBondContact CD2-OD1 3.45Å; L56-N133 HydrophobicContact CG-CB 3.79Å; N133-S146 VanDerWaalsContact OD1-CB 3.24Å; N133-S146 WeakPolarHBondContact OD1-CB 3.47Å; N133-S146 PolarHBondContact OD1-OG 3.35Å; N133-G150 PolarHBondContact ND2-O 3.24Å; N133-V152 HydrophobicContact CB-CG2 3.66Å; N133-V152 WeakPolarHBondContact ND2-CG2 3.03Å; N133-G174 VanDerWaalsContact O-CA 3.25Å; N133-G174 WeakPolarHBondContact O-CA 3.47Å; N133-G174 PolarHBondContact O-N 3.15Å; N133-G174 VanDerWaalsContact O-N 3.16Å
134M98.7Very high96.7Very high0 Ų02.1 Ų2.10%01%0.014CC..  trans-162.1163.3-171.754.2179.2-74.300111.1K85 D86 N87 A102 A138 S146 S171K85-M134 HydrophobicContact CD-SD 4.24Å; K85-M134 HydrophobicContact CG-CB 4.27Å; K85-M134 HydrophobicContact CG-CG 4.45Å; K85-M134 HydrophobicContact CG-SD 3.62Å; D86-M134 HydrophobicContact CB-CG 4.22Å; D86-M134 HydrophobicContact CB-SD 3.88Å; N87-M134 HydrophobicContact CB-CE 3.84Å; N87-M134 HydrophobicContact CB-SD 3.88Å; N87-M134 PolarHBondContact N-SD 2.85Å; A102-M134 HydrophobicContact CB-CG 3.72Å; A102-M134 WeakPolarHBondContact CB-O 3.13Å; M134-A138 HydrophobicContact CE-CB 3.7Å; M134-S146 WeakPolarHBondContact O-CB 3.4Å; M134-S171 WeakPolarHBondContact CA-O 3.32Å; M134-S171 WeakPolarHBondContact CB-O 3.26Å
135D98.4Very high96.8Very high0 Ų03.8 Ų3.80%02%0.023CC..SBendtrans-60.7142.9163-65-61.4000110F137 A138 G140 S143 T144 D145 S171D135-F137 PolarHBondContact O-N 2.6Å; D135-A138 WeakPolarHBondContact O-CA 3.21Å; D135-A138 PolarHBondContact O-N 3.2Å; D135-G140 VanDerWaalsContact OD2-CA 3.26Å; D135-G140 WeakPolarHBondContact OD2-CA 3.45Å; D135-S143 VanDerWaalsContact CG-N 3.35Å; D135-S143 WeakPolarHBondContact OD1-CA 3.19Å; D135-S143 PolarHBondContact OD1-N 3.05Å; D135-S143 VanDerWaalsContact OD1-N 3.16Å; D135-S143 VanDerWaalsContact OD2-CA 3.3Å; D135-S143 WeakPolarHBondContact OD2-CA 3.4Å; D135-S143 PolarHBondContact OD2-N 2.62Å; D135-T144 PolarHBondContact OD1-N 2.96Å; D135-D145 HydrophobicContact CB-CB 4.43Å; D135-D145 PolarHBondContact OD1-N 2.92Å; D135-S171 PolarHBondContact N-O 2.93Å; D135-S171 WeakPolarHBondContact OD2-CA 3.43Å
136E98.3Very high97Very high9 Ų94.2 Ų4.24%0.0423%0.025CC..G310 helixtrans-50.7125-178.3-167.4-176-165.600111.5C101 S103 A138 M139 D145 G397 V400C101-E136 WeakPolarHBondContact O-CA 3.12Å; S103-E136 VanDerWaalsContact CB-OE1 3.23Å; S103-E136 WeakPolarHBondContact CB-OE1 3.27Å; S103-E136 PolarHBondContact OG-OE1 3.45Å; E136-A138 PolarHBondContact O-N 3.39Å; E136-M139 WeakPolarHBondContact O-CB 3.3Å; E136-M139 WeakPolarHBondContact O-CG 3.31Å; E136-M139 PolarHBondContact O-N 2.84Å; E136-D145 VanDerWaalsContact CB-O 3.25Å; E136-D145 WeakPolarHBondContact CB-O 3.22Å; E136-D145 PolarHBondContact N-O 3.43Å; E136-D145 VanDerWaalsContact N-O 3.11Å; E136-G397 PolarHBondContact OE1-N 2.83Å; E136-G397 WeakPolarHBondContact OE2-CA 3.48Å; E136-G397 PolarHBondContact OE2-N 3.01Å; E136-V400 HydrophobicContact CB-CG2 4.28Å; E136-V400 HydrophobicContact CG-CG2 3.9Å; E136-V400 WeakPolarHBondContact OE2-CG2 3.39Å
137F98.4Very high96.9Very high4 Ų46.8 Ų6.82%0.0185%0.046CC..G310 helixtrans49.729.8-175.3-73.6-74.8000115.1C101 S103 S105 L106 D135 M139 I221 M357 Y360 F396 V400C101-F137 HydrophobicContact CB-CD1 3.6Å; C101-F137 HydrophobicContact CB-CE1 3.74Å; C101-F137 HydrophobicContact CB-CG 4.05Å; C101-F137 HydrophobicContact CB-CZ 4.31Å; C101-F137 PolarHBondContact O-N 3.15Å; S103-F137 VanDerWaalsContact CB-CE2 3.47Å; S103-F137 VanDerWaalsContact OG-CE2 3.31Å; S103-F137 WeakPolarHBondContact OG-CE2 3.48Å; S105-F137 WeakPolarHBondContact OG-CE2 3.48Å; S105-F137 WeakPolarHBondContact OG-CZ 3.37Å; L106-F137 HydrophobicContact CD1-CE1 3.63Å; L106-F137 HydrophobicContact CD1-CZ 3.77Å; L106-F137 HydrophobicContact CG-CE1 4.42Å; L106-F137 HydrophobicContact CG-CZ 4.07Å; D135-F137 PolarHBondContact O-N 2.6Å; F137-M139 HydrophobicContact CB-CE 3.58Å; F137-M139 HydrophobicContact CB-CG 4.09Å; F137-M139 HydrophobicContact CB-SD 4.45Å; F137-M139 HydrophobicContact CG-CE 4.38Å; F137-M139 WeakPolarHBondContact O-CG 3.27Å; F137-M139 PolarHBondContact O-N 3.37Å; F137-I221 HydrophobicContact CD1-CG2 4.2Å; F137-I221 HydrophobicContact CE1-CG2 4.21Å; F137-M357 HydrophobicContact CD1-CE 4Å; F137-M357 HydrophobicContact CD1-SD 4.07Å; F137-M357 HydrophobicContact CD2-SD 4.1Å; F137-M357 HydrophobicContact CE1-CE 4.38Å; F137-M357 HydrophobicContact CE1-SD 4.24Å; F137-M357 HydrophobicContact CE2-SD 4.27Å; F137-M357 HydrophobicContact CG-CE 4.32Å; F137-M357 HydrophobicContact CG-SD 4Å; F137-M357 HydrophobicContact CZ-SD 4.33Å; F137-Y360 HydrophobicContact CE1-CD2 4.42Å; F137-Y360 HydrophobicContact CE1-CE1 4.27Å; F137-Y360 AromaticContact CE1-CE2 3.71Å; F137-Y360 HydrophobicContact CE1-CE2 3.71Å; F137-Y360 AromaticContact CE1-CZ 3.61Å; F137-Y360 HydrophobicContact CZ-CD2 4.21Å; F137-Y360 HydrophobicContact CZ-CE1 4.39Å; F137-Y360 AromaticContact CZ-CE2 3.95Å; F137-Y360 HydrophobicContact CZ-CE2 3.95Å; F137-F396 HydrophobicContact CD2-CD1 4.44Å; F137-F396 HydrophobicContact CD2-CE1 4.37Å; F137-F396 AromaticContact CE2-CD1 3.76Å; F137-F396 HydrophobicContact CE2-CD1 3.76Å; F137-F396 AromaticContact CE2-CE1 3.49Å; F137-F396 HydrophobicContact CE2-CE1 3.49Å; F137-F396 VanDerWaalsContact CE2-CE1 3.49Å; F137-F396 AromaticContact CZ-CE1 3.93Å; F137-F396 HydrophobicContact CZ-CE1 3.93Å; F137-V400 HydrophobicContact CD2-CG1 4.42Å; F137-V400 HydrophobicContact CD2-CG2 4.01Å
138A98.3Very high96.8Very high2 Ų210.1 Ų10.12%0.0177%0.066CC..G310 helixtrans66.916.5-177.300000114.5M134 D135 E136 G140 S171 L223M134-A138 HydrophobicContact CE-CB 3.7Å; D135-A138 WeakPolarHBondContact O-CA 3.21Å; D135-A138 PolarHBondContact O-N 3.2Å; E136-A138 PolarHBondContact O-N 3.39Å; A138-G140 PolarHBondContact O-N 2.94Å; A138-G140 VanDerWaalsContact O-N 3.16Å; A138-S171 WeakPolarHBondContact CA-OG 3.35Å; A138-S171 WeakPolarHBondContact CB-OG 3.5Å; A138-S171 WeakPolarHBondContact O-CB 3.05Å; A138-S171 PolarHBondContact O-OG 3.42Å; A138-S171 VanDerWaalsContact O-OG 3.05Å; A138-L223 HydrophobicContact CB-CB 4.44Å; A138-L223 HydrophobicContact CB-CD2 4.06Å; A138-L223 VanDerWaalsContact O-CD2 3.32Å; A138-L223 WeakPolarHBondContact O-CD2 3.22Å
139M97.4Very high96.6Very high1 Ų112 Ų121%0.0058%0.082CC..  trans-89.452.1-170.6-55.8-164.6-167.200114.2E136 F137 L223 V353 M357 V399 V400 R403 N464E136-M139 WeakPolarHBondContact O-CB 3.3Å; E136-M139 WeakPolarHBondContact O-CG 3.31Å; E136-M139 PolarHBondContact O-N 2.84Å; F137-M139 HydrophobicContact CB-CE 3.58Å; F137-M139 HydrophobicContact CB-CG 4.09Å; F137-M139 HydrophobicContact CB-SD 4.45Å; F137-M139 HydrophobicContact CG-CE 4.38Å; F137-M139 WeakPolarHBondContact O-CG 3.27Å; F137-M139 PolarHBondContact O-N 3.37Å; M139-L223 HydrophobicContact CE-CD1 3.87Å; M139-L223 HydrophobicContact CG-CD1 3.59Å; M139-L223 HydrophobicContact SD-CD1 4.19Å; M139-V353 HydrophobicContact CE-CB 4.4Å; M139-V353 HydrophobicContact CE-CG1 3.69Å; M139-V353 HydrophobicContact CE-CG2 3.8Å; M139-V353 HydrophobicContact SD-CG1 4.13Å; M139-V353 HydrophobicContact SD-CG2 4.24Å; M139-M357 HydrophobicContact CE-CE 4.05Å; M139-M357 HydrophobicContact CE-CG 4.07Å; M139-M357 HydrophobicContact CE-SD 3.86Å; M139-V399 HydrophobicContact CB-CG1 3.81Å; M139-V399 VanDerWaalsContact O-CG1 3.3Å; M139-V399 WeakPolarHBondContact O-CG1 3.42Å; M139-V400 HydrophobicContact CE-CG1 4.08Å; M139-V400 HydrophobicContact CE-CG2 4.25Å; M139-V400 HydrophobicContact SD-CB 4.16Å; M139-V400 HydrophobicContact SD-CG1 4.28Å; M139-V400 HydrophobicContact SD-CG2 3.81Å; M139-R403 HydrophobicContact SD-CB 4.34Å; M139-R403 HydrophobicContact SD-CG 4.47Å; M139-N464 PolarHBondContact O-ND2 2.84Å
140G96Very high96.6Very high3 Ų313 Ų133%0.0319%0.092CC..  trans-168.7170.6176.900000113.4D135 A138 G170 S171D135-G140 VanDerWaalsContact OD2-CA 3.26Å; D135-G140 WeakPolarHBondContact OD2-CA 3.45Å; A138-G140 PolarHBondContact O-N 2.94Å; A138-G140 VanDerWaalsContact O-N 3.16Å; G140-G170 CarbonylContact O-C 3.58Å; G140-S171 WeakPolarHBondContact O-CB 2.92Å; G140-S171 PolarHBondContact O-N 3.22Å
141C96.3Very high96.6Very high1 Ų115.3 Ų15.31%0.00711%0.107CC..SBendtrans-1186-179.464.80000113.3G169 G170 L198 R467 D471C141-G169 CarbonylContact O-C 3.57Å; C141-G169 VanDerWaalsContact O-CA 3.24Å; C141-G169 WeakPolarHBondContact O-CA 3.43Å; C141-G170 VanDerWaalsContact C-CA 3.49Å; C141-G170 PolarHBondContact O-N 2.8Å; C141-L198 HydrophobicContact CB-CD2 3.78Å; C141-L198 VanDerWaalsContact O-CD2 3.24Å; C141-L198 WeakPolarHBondContact O-CD2 3.46Å; C141-R467 VanDerWaalsContact SG-C 3.52Å; C141-D471 HydrophobicContact CB-CB 4.35Å
142G96.5Very high96.6Very high0 Ų015.3 Ų15.30%011%0.107CC..SBendtrans-125.7-10.8-177.500000115.8T144 G169G142-T144 PolarHBondContact O-N 2.86Å; G142-G169 CarbonylContact C-O 3.48Å
143S97.8Very high96.6Very high0 Ų015.6 Ų15.60%011%0.109CC..SBendtrans5541.1-169.5-53.90000112.7D135 P151 V152 G169 G170 G173D135-S143 VanDerWaalsContact CG-N 3.35Å; D135-S143 WeakPolarHBondContact OD1-CA 3.19Å; D135-S143 PolarHBondContact OD1-N 3.05Å; D135-S143 VanDerWaalsContact OD1-N 3.16Å; D135-S143 VanDerWaalsContact OD2-CA 3.3Å; D135-S143 WeakPolarHBondContact OD2-CA 3.4Å; D135-S143 PolarHBondContact OD2-N 2.62Å; S143-P151 CarbonylContact O-C 3.52Å; S143-P151 WeakPolarHBondContact O-CA 3.46Å; S143-V152 PolarHBondContact O-N 2.67Å; S143-G169 VanDerWaalsContact CB-O 3.31Å; S143-G169 WeakPolarHBondContact CB-O 3.48Å; S143-G169 PolarHBondContact N-O 3Å; S143-G169 PolarHBondContact OG-O 3.25Å; S143-G170 WeakPolarHBondContact OG-CA 3.32Å; S143-G173 WeakPolarHBondContact OG-CA 3.3Å; S143-G173 PolarHBondContact OG-N 3.28Å
144T97.1Very high96.5Very high16 Ų1615.6 Ų15.610%0.09811%0.109CC..  trans-102.3-21177.956.50000112.6D135 G142 S146 P151 I167 I456 F459 R467D135-T144 PolarHBondContact OD1-N 2.96Å; G142-T144 PolarHBondContact O-N 2.86Å; T144-S146 PolarHBondContact O-N 3.49Å; T144-P151 HydrophobicContact CG2-CB 4.33Å; T144-I167 HydrophobicContact CG2-CG2 3.97Å; T144-I456 HydrophobicContact CG2-CG2 4.17Å; T144-F459 HydrophobicContact CG2-CD1 3.74Å; T144-F459 HydrophobicContact CG2-CE1 3.98Å; T144-R467 PolarHBondContact OG1-NH1 3.47Å
145D95.3Very high96.4Very high37 Ų3715.7 Ų15.720%0.19811%0.11CC..  trans-99.632.9-166.9-54.3-32.8000111.4D135 E136 V399 N464 R467D135-D145 HydrophobicContact CB-CB 4.43Å; D135-D145 PolarHBondContact OD1-N 2.92Å; E136-D145 VanDerWaalsContact CB-O 3.25Å; E136-D145 WeakPolarHBondContact CB-O 3.22Å; E136-D145 PolarHBondContact N-O 3.43Å; E136-D145 VanDerWaalsContact N-O 3.11Å; D145-V399 HydrophobicContact CB-CG2 4.38Å; D145-N464 PolarHBondContact OD2-ND2 2.94Å; D145-R467 IonicContact OD1-NH1 3.54Å; D145-R467 PolarHBondContact OD1-NH1 2.94Å; D145-R467 VanDerWaalsContact OD1-NH1 3.13Å; D145-R467 IonicContact OD2-NH1 3.42Å
146S95.4Very high96.3Very high10 Ų1016.1 Ų16.17%0.0711%0.111CC..  trans-79.5116.2176175.90000110.8N133 M134 T144 V148 A149 G150N133-S146 VanDerWaalsContact OD1-CB 3.24Å; N133-S146 WeakPolarHBondContact OD1-CB 3.47Å; N133-S146 PolarHBondContact OD1-OG 3.35Å; M134-S146 WeakPolarHBondContact O-CB 3.4Å; T144-S146 PolarHBondContact O-N 3.49Å; S146-V148 VanDerWaalsContact C-N 3.25Å; S146-V148 PolarHBondContact O-N 3.35Å; S146-A149 PolarHBondContact OG-N 3.35Å; S146-G150 VanDerWaalsContact CB-O 3.26Å; S146-G150 WeakPolarHBondContact CB-O 3.37Å; S146-G150 WeakPolarHBondContact O-CA 3.5Å; S146-G150 PolarHBondContact O-N 2.95Å; S146-G150 VanDerWaalsContact O-N 3.12Å
147A93Very high96.2Very high58 Ų5815.8 Ų15.848%0.47911%0.11SC..THydrogen-bonded Turntrans-77.1-11178.700000113.4A102A102-A147 WeakPolarHBondContact O-CB 3.43Å; A102-A147 PolarHBondContact O-N 2.58Å
148V91.2Very high95.6Very high71 Ų7118.7 Ų18.743%0.4312%0.123SC..THydrogen-bonded Turntrans-95.3-43.6-176.41740000112.2L56 A102 S146L56-V148 HydrophobicContact CD2-CB 4.29Å; L56-V148 HydrophobicContact CD2-CG1 4Å; A102-V148 VanDerWaalsContact C-CG2 3.46Å; S146-V148 VanDerWaalsContact C-N 3.25Å; S146-V148 PolarHBondContact O-N 3.35Å
149A92.9Very high94.7Very high39 Ų3924.7 Ų24.732%0.32215%0.149SC..THydrogen-bonded Turntrans-130.7-3-172.800000114.2N53 L56 S146N53-A149 PolarHBondContact ND2-O 3.26Å; L56-A149 HydrophobicContact CD2-CB 3.35Å; S146-A149 PolarHBondContact OG-N 3.35Å
150G94.9Very high93.7Very high21 Ų2125 Ų2522%0.21615%0.152CC..  trans72.8-165.6-173.100000113.1N53 N133 S146N53-G150 PolarHBondContact ND2-O 2.83Å; N133-G150 PolarHBondContact ND2-O 3.24Å; S146-G150 VanDerWaalsContact CB-O 3.26Å; S146-G150 WeakPolarHBondContact CB-O 3.37Å; S146-G150 WeakPolarHBondContact O-CA 3.5Å; S146-G150 PolarHBondContact O-N 2.95Å; S146-G150 VanDerWaalsContact O-N 3.12Å
151P97.2Very high92.3Very high49 Ų4929 Ų2932%0.31818%0.184SC..PPolyproline II helixtrans-68.1149.3-165.228.5-36.6000113.2N53 S143 T144 I456N53-P151 PolarHBondContact ND2-O 2.76Å; S143-P151 CarbonylContact O-C 3.52Å; S143-P151 WeakPolarHBondContact O-CA 3.46Å; T144-P151 HydrophobicContact CG2-CB 4.33Å; P151-I456 HydrophobicContact CB-CD1 4.05Å; P151-I456 HydrophobicContact CB-CG2 4.15Å; P151-I456 HydrophobicContact CG-CD1 4.33Å; P151-I456 HydrophobicContact CG-CG2 4.28Å
152V98.3Very high91.2Very high0 Ų032.6 Ų32.60%022%0.222CC..PPolyproline II helixtrans-88.5123.8169.1-178.30000109.2T52 N133 S143 S168 A177T52-V152 CarbonylContact O-C 3.43Å; T52-V152 WeakPolarHBondContact O-CA 3.28Å; T52-V152 WeakPolarHBondContact O-CG1 3.2Å; N133-V152 HydrophobicContact CB-CG2 3.66Å; N133-V152 WeakPolarHBondContact ND2-CG2 3.03Å; S143-V152 PolarHBondContact O-N 2.67Å; V152-S168 VanDerWaalsContact CB-OG 3.31Å; V152-S168 WeakPolarHBondContact CB-OG 3.37Å; V152-S168 VanDerWaalsContact CG1-OG 3.3Å; V152-S168 WeakPolarHBondContact CG1-OG 3.49Å; V152-S168 PolarHBondContact O-OG 3.28Å; V152-A177 HydrophobicContact CG1-CB 3.81Å
153V97.7Very high90.2Very high7 Ų739.1 Ų39.14%0.04225%0.25CS..BIsolated β-bridgetrans-86.5128.4178.9-178.60000109.6P50 T52 R165 I456P50-V153 HydrophobicContact CB-CG1 4.37Å; T52-V153 PolarHBondContact O-N 3.44Å; V153-R165 HydrophobicContact CG1-CB 4.03Å; V153-R165 HydrophobicContact CG1-CG 4.01Å; V153-R165 HydrophobicContact CG2-CB 4.32Å; V153-R165 HydrophobicContact CG2-CG 4.25Å; V153-I456 HydrophobicContact CG2-CD1 4.11Å
154N98Very high89.7Confident0 Ų041.8 Ų41.80%027%0.267CS..PPolyproline II helixtrans-63.6126.9173.1-171.2-37000110.1W156 S157 L166 I167 Y202N154-W156 PolarHBondContact O-N 3.06Å; N154-W156 VanDerWaalsContact O-N 3.11Å; N154-W156 WeakPolarHBondContact OD1-CB 3.32Å; N154-W156 PolarHBondContact OD1-N 3.06Å; N154-S157 VanDerWaalsContact O-CB 3.28Å; N154-S157 WeakPolarHBondContact O-CB 3.41Å; N154-S157 PolarHBondContact O-N 3.02Å; N154-S157 PolarHBondContact O-OG 3.3Å; N154-L166 HydrophobicContact CB-CB 4.04Å; N154-L166 WeakPolarHBondContact CB-O 3.3Å; N154-L166 PolarHBondContact N-O 3.37Å; N154-I167 WeakPolarHBondContact CB-O 3.34Å; N154-I167 PolarHBondContact ND2-O 3.4Å; N154-Y202 PolarHBondContact ND2-O 2.87Å
155P96.7Very high89.6Confident1 Ų145.6 Ų45.61%0.00628%0.279CS..G310 helixtrans-64.8-17.6-177.327.6-35.9000113.4F49 T52 S157 A180 A181 L530F49-P155 HydrophobicContact CD2-CB 4.24Å; T52-P155 HydrophobicContact CG2-CB 3.8Å; T52-P155 HydrophobicContact CG2-CG 4.37Å; P155-S157 PolarHBondContact O-N 2.98Å; P155-A180 HydrophobicContact CG-CB 3.76Å; P155-A181 HydrophobicContact CB-CB 4.48Å; P155-L530 HydrophobicContact CB-CD2 3.55Å; P155-L530 HydrophobicContact CG-CD2 4.06Å
156W96.1Very high89.7Confident10 Ų1044 Ų444%0.03827%0.271CS..G310 helixtrans-75.80.4172.8-67.483.9000114.3N154 E158 K159 C203 L492 L498 P499 F527 L530N154-W156 PolarHBondContact O-N 3.06Å; N154-W156 VanDerWaalsContact O-N 3.11Å; N154-W156 WeakPolarHBondContact OD1-CB 3.32Å; N154-W156 PolarHBondContact OD1-N 3.06Å; W156-E158 PolarHBondContact O-N 2.91Å; W156-E158 VanDerWaalsContact O-N 3.11Å; W156-K159 HydrophobicContact CE3-CG 4.27Å; W156-K159 WeakPolarHBondContact O-CB 3.22Å; W156-K159 PolarHBondContact O-N 2.59Å; W156-C203 PolarHBondContact NE1-O 2.98Å; W156-L492 HydrophobicContact CE3-CD2 4.36Å; W156-L492 HydrophobicContact CH2-CD2 3.62Å; W156-L492 HydrophobicContact CZ3-CD1 4.35Å; W156-L492 HydrophobicContact CZ3-CD2 3.51Å; W156-L498 HydrophobicContact CB-CD2 3.87Å; W156-P499 HydrophobicContact CD2-CG 3.65Å; W156-P499 HydrophobicContact CE3-CG 4.19Å; W156-P499 HydrophobicContact CG-CG 3.99Å; W156-P499 HydrophobicContact CH2-CG 4.31Å; W156-P499 HydrophobicContact CZ2-CG 3.75Å; W156-P499 HydrophobicContact CZ3-CG 4.5Å; W156-F527 HydrophobicContact CH2-CZ 4.01Å; W156-F527 HydrophobicContact CZ2-CE1 4.33Å; W156-F527 AromaticContact CZ2-CZ 3.76Å; W156-F527 HydrophobicContact CZ2-CZ 3.76Å; W156-L530 HydrophobicContact CD2-CB 4.35Å; W156-L530 HydrophobicContact CD2-CD1 4.31Å; W156-L530 HydrophobicContact CE3-CD1 4.34Å; W156-L530 HydrophobicContact CG-CD2 4.48Å; W156-L530 HydrophobicContact CH2-CB 4.24Å; W156-L530 HydrophobicContact CZ2-CB 3.66Å
157S95.3Very high89.9Confident2 Ų243.6 Ų43.61%0.01427%0.267CS..G310 helixtrans-60.1-24.2-175.1-62.50000114.5N154 P155 K159 A160 L166N154-S157 VanDerWaalsContact O-CB 3.28Å; N154-S157 WeakPolarHBondContact O-CB 3.41Å; N154-S157 PolarHBondContact O-N 3.02Å; N154-S157 PolarHBondContact O-OG 3.3Å; P155-S157 PolarHBondContact O-N 2.98Å; S157-K159 PolarHBondContact O-N 2.63Å; S157-A160 VanDerWaalsContact O-CB 3.23Å; S157-A160 WeakPolarHBondContact O-CB 3.43Å; S157-A160 PolarHBondContact O-N 3.07Å; S157-L166 PolarHBondContact OG-N 3.14Å
158E86.5Confident90.1Very high64 Ų6440.8 Ų40.830%0.29925%0.245SC..G310 helixtrans-64.3-24.5174.4-170.961.9-158.400112.4P50 W156 A160 K163P50-E158 HydrophobicContact CG-CB 4.32Å; W156-E158 PolarHBondContact O-N 2.91Å; W156-E158 VanDerWaalsContact O-N 3.11Å; E158-A160 VanDerWaalsContact C-N 3.33Å; E158-K163 VanDerWaalsContact OE1-CE 3.31Å; E158-K163 WeakPolarHBondContact OE1-CE 3.26Å; E158-K163 IonicContact OE1-NZ 2.85Å; E158-K163 PolarHBondContact OE1-NZ 3.48Å
159K79.8Confident90.4Very high129 Ų12937.4 Ų37.456%0.56122%0.224SC*.G310 helixtrans-81.2-13.3175.6-60.1-62.2-174.8178.90112.9W156 S157 L498W156-K159 HydrophobicContact CE3-CG 4.27Å; W156-K159 WeakPolarHBondContact O-CB 3.22Å; W156-K159 PolarHBondContact O-N 2.59Å; S157-K159 PolarHBondContact O-N 2.63Å; K159-L498 HydrophobicContact CB-CD2 4.39Å
160A76.5Confident90.6Very high7 Ų735.6 Ų35.66%0.05821%0.209CC..SBendtrans-68.8140.6-17900000111.4S157 E158 G162 K163 L166S157-A160 VanDerWaalsContact O-CB 3.23Å; S157-A160 WeakPolarHBondContact O-CB 3.43Å; S157-A160 PolarHBondContact O-N 3.07Å; E158-A160 VanDerWaalsContact C-N 3.33Å; A160-G162 PolarHBondContact O-N 3.46Å; A160-K163 PolarHBondContact O-N 3.07Å; A160-L166 HydrophobicContact CB-CD1 3.86Å; A160-L166 HydrophobicContact CB-CD2 4.04Å; A160-L166 HydrophobicContact CB-CG 3.95Å
161A66.5Low90.8Very high86 Ų8634.6 Ų34.671%0.71120%0.198SC*.G310 helixtrans-53.2128.3170.200000110.2K163A161-K163 VanDerWaalsContact C-N 3.26Å; A161-K163 PolarHBondContact O-N 2.8Å
162G73.4Confident90.9Very high77 Ų7732.2 Ų32.279%0.79418%0.183SC*.G310 helixtrans73.67.9-17800000115.8A160 T164A160-G162 PolarHBondContact O-N 3.46Å; G162-T164 PolarHBondContact O-N 2.94Å
163K74.3Confident90.9Very high138 Ų13832.2 Ų32.260%0.618%0.183SC*.G310 helixtrans56.532.4-179-53-169-179.5-151.50113.9E158 A160 A161E158-K163 VanDerWaalsContact OE1-CE 3.31Å; E158-K163 WeakPolarHBondContact OE1-CE 3.26Å; E158-K163 IonicContact OE1-NZ 2.85Å; E158-K163 PolarHBondContact OE1-NZ 3.48Å; A160-K163 PolarHBondContact O-N 3.07Å; A161-K163 VanDerWaalsContact C-N 3.26Å; A161-K163 PolarHBondContact O-N 2.8Å
164T88.7Confident90.9Very high56 Ų5631.9 Ų31.934%0.34418%0.181SC..PPolyproline II helixtrans-72139.9178.5-45.80000110.8G162 L166G162-T164 PolarHBondContact O-N 2.94Å; T164-L166 PolarHBondContact O-N 3.41Å
165R94.7Very high91Very high96 Ų9631.9 Ų31.936%0.36218%0.181SC..PPolyproline II helixtrans-68.1119.9174.9-66.1178.9171.3168.2-0.3109.8D41 V153 S455 I456D41-R165 IonicContact OD1-CZ 3.69Å; D41-R165 VanDerWaalsContact OD1-CZ 3.25Å; D41-R165 IonicContact OD1-NH1 2.9Å; D41-R165 PolarHBondContact OD1-NH1 3.27Å; D41-R165 IonicContact OD1-NH2 2.76Å; D41-R165 PolarHBondContact OD1-NH2 2.98Å; V153-R165 HydrophobicContact CG1-CB 4.03Å; V153-R165 HydrophobicContact CG1-CG 4.01Å; V153-R165 HydrophobicContact CG2-CB 4.32Å; V153-R165 HydrophobicContact CG2-CG 4.25Å; R165-S455 WeakPolarHBondContact O-CA 3.36Å; R165-I456 HydrophobicContact CB-CD1 3.81Å; R165-I456 PolarHBondContact O-N 3.27Å
166L97.4Very high91.1Very high3 Ų331.9 Ų31.92%0.01618%0.181CC..BIsolated β-bridgetrans-94.2152.8-179.7-56.6179.7000111.5N154 S157 A160 T164 P453 I454 L498N154-L166 HydrophobicContact CB-CB 4.04Å; N154-L166 WeakPolarHBondContact CB-O 3.3Å; N154-L166 PolarHBondContact N-O 3.37Å; S157-L166 PolarHBondContact OG-N 3.14Å; A160-L166 HydrophobicContact CB-CD1 3.86Å; A160-L166 HydrophobicContact CB-CD2 4.04Å; A160-L166 HydrophobicContact CB-CG 3.95Å; T164-L166 PolarHBondContact O-N 3.41Å; L166-P453 HydrophobicContact CB-CB 4.41Å; L166-P453 HydrophobicContact CD1-CG 4.38Å; L166-I454 WeakPolarHBondContact CA-O 3.22Å; L166-L498 HydrophobicContact CD1-CD1 3.68Å; L166-L498 HydrophobicContact CD1-CD2 3.66Å; L166-L498 HydrophobicContact CD1-CG 4.34Å
167I98Very high91.2Very high1 Ų131.4 Ų31.41%0.00518%0.179CC..BIsolated β-bridgetrans-64.2144170.163.7174.9000110.9T144 N154 G169 Y202 P453 I454 I456 F459T144-I167 HydrophobicContact CG2-CG2 3.97Å; N154-I167 WeakPolarHBondContact CB-O 3.34Å; N154-I167 PolarHBondContact ND2-O 3.4Å; I167-G169 VanDerWaalsContact C-N 3.33Å; I167-Y202 HydrophobicContact CD1-CD2 4.38Å; I167-Y202 HydrophobicContact CD1-CE2 3.82Å; I167-Y202 HydrophobicContact CG1-CD2 4.24Å; I167-Y202 HydrophobicContact CG1-CE2 4.15Å; I167-P453 HydrophobicContact CG1-CB 4Å; I167-P453 WeakPolarHBondContact O-CB 3.5Å; I167-I454 HydrophobicContact CD1-CG1 4.24Å; I167-I454 PolarHBondContact N-O 2.92Å; I167-I456 HydrophobicContact CG2-CG1 3.98Å; I167-F459 HydrophobicContact CD1-CD2 3.56Å; I167-F459 HydrophobicContact CD1-CE2 3.76Å; I167-F459 HydrophobicContact CD1-CG 4.04Å; I167-F459 HydrophobicContact CD1-CZ 4.37Å; I167-F459 HydrophobicContact CG2-CB 3.69Å; I167-F459 HydrophobicContact CG2-CD1 3.85Å; I167-F459 HydrophobicContact CG2-CD2 4.35Å; I167-F459 HydrophobicContact CG2-CE1 4.49Å; I167-F459 HydrophobicContact CG2-CG 3.73Å
168S98.3Very high91.4Very high0 Ų031.3 Ų31.30%018%0.179CC..  trans-91.33.7177.453.60000113.2V152 G173 P199V152-S168 VanDerWaalsContact CB-OG 3.31Å; V152-S168 WeakPolarHBondContact CB-OG 3.37Å; V152-S168 VanDerWaalsContact CG1-OG 3.3Å; V152-S168 WeakPolarHBondContact CG1-OG 3.49Å; V152-S168 PolarHBondContact O-OG 3.28Å; S168-G173 WeakPolarHBondContact OG-CA 3.42Å; S168-P199 WeakPolarHBondContact O-CA 3.36Å; S168-P199 WeakPolarHBondContact O-CB 3.28Å
169G98.2Very high91.9Very high0 Ų028.2 Ų28.20%016%0.164CC..  trans74.2177.6-16800000110.6C141 G142 S143 I167 G173C141-G169 CarbonylContact O-C 3.57Å; C141-G169 VanDerWaalsContact O-CA 3.24Å; C141-G169 WeakPolarHBondContact O-CA 3.43Å; G142-G169 CarbonylContact C-O 3.48Å; S143-G169 VanDerWaalsContact CB-O 3.31Å; S143-G169 WeakPolarHBondContact CB-O 3.48Å; S143-G169 PolarHBondContact N-O 3Å; S143-G169 PolarHBondContact OG-O 3.25Å; I167-G169 VanDerWaalsContact C-N 3.33Å; G169-G173 WeakPolarHBondContact O-CA 3.39Å
170G97.3Very high92.8Very high0 Ų022.3 Ų22.30%014%0.139CC..SBendtrans-169.6167.2-172.300000115.1G140 C141 S143 S195G140-G170 CarbonylContact O-C 3.58Å; C141-G170 VanDerWaalsContact C-CA 3.49Å; C141-G170 PolarHBondContact O-N 2.8Å; S143-G170 WeakPolarHBondContact OG-CA 3.32Å; G170-S195 VanDerWaalsContact O-CA 3.23Å; G170-S195 WeakPolarHBondContact O-CA 3.4Å
171S97.9Very high93.9Very high0 Ų022 Ų220%014%0.136CC..SBendcis-89.51.97.858.20000115.7K85 M134 D135 A138 G140 G173 S195K85-S171 WeakPolarHBondContact CE-O 3.46Å; K85-S171 PolarHBondContact NZ-OG 2.67Å; M134-S171 WeakPolarHBondContact CA-O 3.32Å; M134-S171 WeakPolarHBondContact CB-O 3.26Å; D135-S171 PolarHBondContact N-O 2.93Å; D135-S171 WeakPolarHBondContact OD2-CA 3.43Å; A138-S171 WeakPolarHBondContact CA-OG 3.35Å; A138-S171 WeakPolarHBondContact CB-OG 3.5Å; A138-S171 WeakPolarHBondContact O-CB 3.05Å; A138-S171 PolarHBondContact O-OG 3.42Å; A138-S171 VanDerWaalsContact O-OG 3.05Å; G140-S171 WeakPolarHBondContact O-CB 2.92Å; G140-S171 PolarHBondContact O-N 3.22Å; S171-G173 VanDerWaalsContact C-N 3.29Å; S171-G173 PolarHBondContact O-N 2.6Å; S171-S195 VanDerWaalsContact N-CB 3.28Å
172S98.7Very high95.3Very high0 Ų017.9 Ų17.90%010%0.103CC..SBendtrans-92.833.8177-410000112.9K85 G174 S175 A176 S190 S195K85-S172 WeakPolarHBondContact CD-OG 3.38Å; K85-S172 WeakPolarHBondContact CE-OG 3.48Å; K85-S172 PolarHBondContact NZ-OG 3.42Å; S172-G174 VanDerWaalsContact C-N 3.3Å; S172-G174 PolarHBondContact O-N 2.93Å; S172-S175 WeakPolarHBondContact O-CB 3.37Å; S172-S175 PolarHBondContact O-N 2.99Å; S172-S175 VanDerWaalsContact O-N 3.08Å; S172-A176 PolarHBondContact O-N 3.26Å; S172-S190 PolarHBondContact OG-N 3.41Å; S172-S190 PolarHBondContact OG-O 3.28Å; S172-S190 VanDerWaalsContact OG-O 3.09Å; S172-S195 WeakPolarHBondContact CB-O 3.3Å; S172-S195 PolarHBondContact N-O 3.05Å; S172-S195 PolarHBondContact OG-O 3.31Å
173G98.6Very high96.5Very high0 Ų014.2 Ų14.20%07%0.065CC..Hα-helixtrans-60.7-37.9-177.100000112.6S143 S168 G169 S171 S175 A176 A177S143-G173 WeakPolarHBondContact OG-CA 3.3Å; S143-G173 PolarHBondContact OG-N 3.28Å; S168-G173 WeakPolarHBondContact OG-CA 3.42Å; G169-G173 WeakPolarHBondContact O-CA 3.39Å; S171-G173 VanDerWaalsContact C-N 3.29Å; S171-G173 PolarHBondContact O-N 2.6Å; G173-S175 VanDerWaalsContact C-N 3.35Å; G173-S175 PolarHBondContact O-N 3.41Å; G173-A176 PolarHBondContact O-N 2.63Å; G173-A177 WeakPolarHBondContact O-CB 3.46Å; G173-A177 PolarHBondContact O-N 2.85Å
174G98.8Very high97.7Very high0 Ų07.6 Ų7.60%04%0.036CC..Hα-helixtrans-63.7-39.2173.700000112.5S54 N133 S172 A178S54-G174 WeakPolarHBondContact CB-O 3.44Å; N133-G174 VanDerWaalsContact O-CA 3.25Å; N133-G174 WeakPolarHBondContact O-CA 3.47Å; N133-G174 PolarHBondContact O-N 3.15Å; N133-G174 VanDerWaalsContact O-N 3.16Å; S172-G174 VanDerWaalsContact C-N 3.3Å; S172-G174 PolarHBondContact O-N 2.93Å; G174-A178 WeakPolarHBondContact O-CB 3.22Å; G174-A178 PolarHBondContact O-N 3.24Å
175S98.9Very high98.1Very high0 Ų05 Ų50%02%0.02CC..Hα-helixtrans-61.6-48.1174.9-660000111.3S132 S172 G173 V179 S187 I188S132-S175 PolarHBondContact OG-OG 3.14Å; S172-S175 WeakPolarHBondContact O-CB 3.37Å; S172-S175 PolarHBondContact O-N 2.99Å; S172-S175 VanDerWaalsContact O-N 3.08Å; G173-S175 VanDerWaalsContact C-N 3.35Å; G173-S175 PolarHBondContact O-N 3.41Å; S175-V179 WeakPolarHBondContact O-CG2 3.45Å; S175-V179 PolarHBondContact O-N 3.33Å; S175-V179 VanDerWaalsContact O-N 3.16Å; S175-S187 VanDerWaalsContact CB-OG 3.3Å; S175-S187 WeakPolarHBondContact CB-OG 3.37Å; S175-S187 PolarHBondContact O-OG 3.48Å; S175-S187 VanDerWaalsContact O-OG 3.1Å; S175-I188 PolarHBondContact OG-O 2.86Å
176A98.9Very high98.3Very high0 Ų00.4 Ų0.40%00%0.003CC..Hα-helixtrans-68.4-43.618000000113.2S172 G173 A178 V179 A180 P199 C203 V205 I233S172-A176 PolarHBondContact O-N 3.26Å; G173-A176 PolarHBondContact O-N 2.63Å; A176-A178 VanDerWaalsContact C-N 3.34Å; A176-A178 PolarHBondContact O-N 3.17Å; A176-V179 PolarHBondContact O-N 3.25Å; A176-A180 WeakPolarHBondContact O-CB 3.3Å; A176-A180 PolarHBondContact O-N 3.32Å; A176-P199 VanDerWaalsContact CB-C 3.42Å; A176-P199 HydrophobicContact CB-CB 3.72Å; A176-P199 VanDerWaalsContact CB-O 3.25Å; A176-P199 WeakPolarHBondContact CB-O 3.36Å; A176-C203 HydrophobicContact CB-CB 3.94Å; A176-V205 HydrophobicContact CB-CG2 4.26Å; A176-I233 HydrophobicContact CB-CD1 3.98Å; A176-I233 HydrophobicContact CB-CG2 4.34Å
177A98.7Very high98.4Very high0 Ų00.2 Ų0.20%00%0.002CC..Hα-helixtrans-63.1-40.7177.100000111.4T52 V152 G173 V179 A180 A181T52-A177 HydrophobicContact CG2-CB 4.3Å; V152-A177 HydrophobicContact CG1-CB 3.81Å; G173-A177 WeakPolarHBondContact O-CB 3.46Å; G173-A177 PolarHBondContact O-N 2.85Å; A177-V179 VanDerWaalsContact C-N 3.35Å; A177-V179 PolarHBondContact O-N 2.97Å; A177-A180 PolarHBondContact O-N 3.31Å; A177-A181 WeakPolarHBondContact O-CB 3.24Å; A177-A181 PolarHBondContact O-N 3.14Å
178A98.7Very high98.4Very high0 Ų00.2 Ų0.20%00%0.002CC..Hα-helixtrans-63-39.6176.500000112.4I55 G174 A176 G182 L183I55-A178 HydrophobicContact CD1-CB 3.97Å; G174-A178 WeakPolarHBondContact O-CB 3.22Å; G174-A178 PolarHBondContact O-N 3.24Å; A176-A178 VanDerWaalsContact C-N 3.34Å; A176-A178 PolarHBondContact O-N 3.17Å; A178-G182 PolarHBondContact O-N 3.24Å; A178-L183 HydrophobicContact CB-CB 4.22Å; A178-L183 HydrophobicContact CB-CD1 4.31Å; A178-L183 WeakPolarHBondContact O-CB 3.35Å; A178-L183 PolarHBondContact O-N 3.39Å
179V98.8Very high98.5Very high0 Ų00.2 Ų0.20%00%0.002CC..Hα-helixtrans-67.3-51.4174174.70000110.2S175 A176 A177 A181 G182 S187 V205 I233 P235 H533S175-V179 WeakPolarHBondContact O-CG2 3.45Å; S175-V179 PolarHBondContact O-N 3.33Å; S175-V179 VanDerWaalsContact O-N 3.16Å; A176-V179 PolarHBondContact O-N 3.25Å; A177-V179 VanDerWaalsContact C-N 3.35Å; A177-V179 PolarHBondContact O-N 2.97Å; V179-A181 VanDerWaalsContact C-N 3.27Å; V179-A181 PolarHBondContact O-N 3.1Å; V179-G182 PolarHBondContact O-N 3.02Å; V179-S187 VanDerWaalsContact CG2-OG 3.31Å; V179-S187 WeakPolarHBondContact CG2-OG 3.28Å; V179-V205 HydrophobicContact CG1-CB 4.25Å; V179-V205 HydrophobicContact CG1-CG1 3.93Å; V179-I233 HydrophobicContact CB-CG2 4.32Å; V179-I233 HydrophobicContact CG2-CG2 4.19Å; V179-P235 HydrophobicContact CG1-CG 3.83Å; V179-H533 PolarHBondContact O-CE1 2.99Å; V179-H533 VanDerWaalsContact O-CE1 3.27Å; V179-H533 PolarHBondContact O-NE2 3.38Å
180A98.4Very high98.5Very high4 Ų40.2 Ų0.23%0.0330%0.002CC..Hα-helixtrans-61-33.6-177.900000113.5P155 A176 A177 G182 C203 V205 V531P155-A180 HydrophobicContact CG-CB 3.76Å; A176-A180 WeakPolarHBondContact O-CB 3.3Å; A176-A180 PolarHBondContact O-N 3.32Å; A177-A180 PolarHBondContact O-N 3.31Å; A180-G182 VanDerWaalsContact C-N 3.27Å; A180-G182 PolarHBondContact O-N 3.15Å; A180-C203 HydrophobicContact CB-CB 3.9Å; A180-C203 WeakPolarHBondContact CB-O 3.48Å; A180-V205 HydrophobicContact CB-CG1 3.74Å; A180-V531 WeakPolarHBondContact O-CG2 3.49Å
181A97.9Very high98.6Very high0 Ų00.2 Ų0.20%00%0.002CC..THydrogen-bonded Turntrans-80-2.6175.400000113.9R30 F49 T52 P155 A177 V179 L183R30-A181 PolarHBondContact NH2-O 2.88Å; F49-A181 HydrophobicContact CD2-CB 4.48Å; F49-A181 HydrophobicContact CE2-CB 3.48Å; F49-A181 VanDerWaalsContact CE2-CB 3.48Å; F49-A181 HydrophobicContact CZ-CB 3.49Å; F49-A181 VanDerWaalsContact CZ-CB 3.49Å; F49-A181 WeakPolarHBondContact CZ-O 3.26Å; T52-A181 HydrophobicContact CG2-CB 4.14Å; P155-A181 HydrophobicContact CB-CB 4.48Å; A177-A181 WeakPolarHBondContact O-CB 3.24Å; A177-A181 PolarHBondContact O-N 3.14Å; V179-A181 VanDerWaalsContact C-N 3.27Å; V179-A181 PolarHBondContact O-N 3.1Å; A181-L183 VanDerWaalsContact C-N 3.34Å; A181-L183 HydrophobicContact CB-CD1 4.41Å; A181-L183 HydrophobicContact CB-CD2 4.35Å; A181-L183 HydrophobicContact CB-CG 3.91Å; A181-L183 PolarHBondContact O-N 3.02Å
182G97.9Very high98.6Very high0 Ų00.3 Ų0.30%00%0.002CC..THydrogen-bonded Turntrans65.334.4-176.700000113.3R30 A178 V179 A180 C184R30-G182 WeakPolarHBondContact CD-O 3.44Å; R30-G182 PolarHBondContact NE-O 2.81Å; A178-G182 PolarHBondContact O-N 3.24Å; V179-G182 PolarHBondContact O-N 3.02Å; A180-G182 VanDerWaalsContact C-N 3.27Å; A180-G182 PolarHBondContact O-N 3.15Å; G182-C184 VanDerWaalsContact C-N 3.34Å
183L98.3Very high98.5Very high0 Ų00.3 Ų0.30%00%0.002CC..SBendtrans-84-14.4173.6-52.9-174000112.2F27 R30 I31 D34 L47 S54 I55 A178 A181F27-L183 WeakPolarHBondContact CD1-O 3.32Å; R30-L183 HydrophobicContact CB-CD2 3.98Å; I31-L183 HydrophobicContact CG1-CB 3.9Å; D34-L183 HydrophobicContact CB-CD1 3.91Å; D34-L183 HydrophobicContact CB-CD2 4.14Å; L47-L183 HydrophobicContact CD1-CD2 3.67Å; S54-L183 WeakPolarHBondContact OG-CD1 3.27Å; I55-L183 HydrophobicContact CG1-CD1 4.24Å; A178-L183 HydrophobicContact CB-CB 4.22Å; A178-L183 HydrophobicContact CB-CD1 4.31Å; A178-L183 WeakPolarHBondContact O-CB 3.35Å; A178-L183 PolarHBondContact O-N 3.39Å; A181-L183 VanDerWaalsContact C-N 3.34Å; A181-L183 HydrophobicContact CB-CD1 4.41Å; A181-L183 HydrophobicContact CB-CD2 4.35Å; A181-L183 HydrophobicContact CB-CG 3.91Å; A181-L183 PolarHBondContact O-N 3.02Å
184C98.3Very high98.4Very high0 Ų00.3 Ų0.30%00%0.002CC..  trans-155.7168.8173.857.60000109.8P81 V83 G182 A186P81-C184 WeakPolarHBondContact O-CB 3.23Å; V83-C184 HydrophobicContact CB-CB 4.32Å; V83-C184 HydrophobicContact CG2-CB 3.76Å; G182-C184 VanDerWaalsContact C-N 3.34Å; C184-A186 PolarHBondContact SG-O 2.94Å
185L98.1Very high98.4Very high0 Ų00.4 Ų0.40%00%0.003CC..SBendtrans-96.2-15.3175.3-67.6-173.9000113.1C5 I6 L9 F27 I80 P81 P235 H533 I537C5-L185 HydrophobicContact CB-CD2 4.24Å; I6-L185 HydrophobicContact CG1-CB 4.05Å; I6-L185 HydrophobicContact CG1-CD1 4.49Å; L9-L185 HydrophobicContact CB-CD1 4.3Å; L9-L185 HydrophobicContact CD2-CD1 3.56Å; F27-L185 HydrophobicContact CE1-CD2 4.18Å; F27-L185 HydrophobicContact CE1-CG 4.26Å; F27-L185 HydrophobicContact CE2-CG 4.46Å; F27-L185 HydrophobicContact CZ-CD1 4.4Å; F27-L185 HydrophobicContact CZ-CD2 3.7Å; F27-L185 HydrophobicContact CZ-CG 3.75Å; I80-L185 HydrophobicContact CG2-CB 4.11Å; I80-L185 HydrophobicContact CG2-CD1 4.42Å; P81-L185 HydrophobicContact CG-CB 4.29Å; P81-L185 HydrophobicContact CG-CD1 4.28Å; P81-L185 HydrophobicContact CG-CG 3.91Å; P81-L185 PolarHBondContact O-N 3.29Å; L185-P235 WeakPolarHBondContact O-CD 3.28Å; L185-H533 HydrophobicContact CD2-CB 4.09Å; L185-I537 HydrophobicContact CD1-CD1 4.02Å; L185-I537 HydrophobicContact CD1-CG1 4.43Å; L185-I537 HydrophobicContact CD2-CD1 4.21Å
186A98.7Very high98.4Very high0 Ų00.4 Ų0.40%00%0.003CC..EExtended strand (participates in β ladder)trans-154.7159.2168.600000109.4I6 V82 V83 C184 I233 A234 V243I6-A186 HydrophobicContact CD1-CB 4.2Å; V82-A186 VanDerWaalsContact CA-O 3.28Å; V82-A186 WeakPolarHBondContact CA-O 3.39Å; V82-A186 HydrophobicContact CG2-CB 4.38Å; V83-A186 PolarHBondContact N-O 3.09Å; V83-A186 VanDerWaalsContact N-O 3.12Å; C184-A186 PolarHBondContact SG-O 2.94Å; A186-I233 CarbonylContact C-O 3.59Å; A186-I233 WeakPolarHBondContact CA-O 3.35Å; A186-A234 HydrophobicContact CB-CB 4.41Å; A186-V243 HydrophobicContact CB-CG2 3.62Å
187S98.9Very high98.4Very high0 Ų00.4 Ų0.40%00%0.003CC..EExtended strand (participates in β ladder)trans-136146.716964.30000112V83 S175 V179 I233V83-S187 CarbonylContact O-C 3.53Å; V83-S187 WeakPolarHBondContact O-CA 3.27Å; V83-S187 WeakPolarHBondContact O-CB 3.39Å; S175-S187 VanDerWaalsContact CB-OG 3.3Å; S175-S187 WeakPolarHBondContact CB-OG 3.37Å; S175-S187 PolarHBondContact O-OG 3.48Å; S175-S187 VanDerWaalsContact O-OG 3.1Å; V179-S187 VanDerWaalsContact CG2-OG 3.31Å; V179-S187 WeakPolarHBondContact CG2-OG 3.28Å; S187-I233 PolarHBondContact N-O 3.11Å; S187-I233 PolarHBondContact O-N 3.02Å
188I98.9Very high98.4Very high0 Ų00.4 Ų0.40%00%0.003CC..EExtended strand (participates in β ladder)trans-89.7127.3173.3-55.9-41.1000108.3V82 V83 V84 K85 F88 V117 L121 S175 V243 W247V82-I188 HydrophobicContact CG1-CD1 4.43Å; V82-I188 HydrophobicContact CG1-CG1 4.09Å; V83-I188 PolarHBondContact O-N 3.29Å; V84-I188 HydrophobicContact CG1-CB 4.42Å; V84-I188 HydrophobicContact CG2-CB 4.41Å; V84-I188 HydrophobicContact CG2-CG1 4.34Å; K85-I188 WeakPolarHBondContact CB-O 3.43Å; K85-I188 PolarHBondContact N-O 3.36Å; F88-I188 HydrophobicContact CD1-CG2 4.4Å; F88-I188 HydrophobicContact CD2-CG2 4.13Å; F88-I188 HydrophobicContact CE1-CG2 4.13Å; F88-I188 HydrophobicContact CE2-CG2 3.85Å; F88-I188 HydrophobicContact CG-CG2 4.4Å; F88-I188 HydrophobicContact CZ-CG2 3.84Å; V117-I188 HydrophobicContact CG2-CG2 4.24Å; L121-I188 HydrophobicContact CD1-CD1 3.82Å; L121-I188 HydrophobicContact CD1-CG1 3.61Å; S175-I188 PolarHBondContact OG-O 2.86Å; I188-V243 HydrophobicContact CD1-CG1 3.86Å; I188-W247 HydrophobicContact CD1-CH2 3.95Å; I188-W247 HydrophobicContact CD1-CZ2 3.36Å; I188-W247 HydrophobicContact CG1-CZ2 4Å; I188-W247 HydrophobicContact CG2-CH2 4.17Å; I188-W247 HydrophobicContact CG2-CZ2 3.98Å
189A98.8Very high98.4Very high0 Ų00.4 Ų0.40%00%0.003CC..EExtended strand (participates in β ladder)trans-122.2172.6-178.100000109.8F88 A196 A231 I233F88-A189 VanDerWaalsContact CE2-O 3.23Å; F88-A189 WeakPolarHBondContact CE2-O 3.37Å; F88-A189 WeakPolarHBondContact CZ-O 3.4Å; A189-A196 HydrophobicContact CB-CB 3.83Å; A189-A231 HydrophobicContact CB-CB 4.12Å; A189-A231 PolarHBondContact N-O 2.75Å; A189-A231 PolarHBondContact O-N 3.21Å; A189-I233 HydrophobicContact CB-CD1 3.8Å; A189-I233 HydrophobicContact CB-CG1 3.92Å
190S98.8Very high98.4Very high1 Ų10.4 Ų0.41%0.0070%0.003CC..EExtended strand (participates in β ladder)trans-128.5144.3167.543.60000108.8K85 N87 S172 S195 V229K85-S190 WeakPolarHBondContact CD-OG 3.49Å; K85-S190 WeakPolarHBondContact CE-OG 3.5Å; K85-S190 PolarHBondContact NZ-O 2.96Å; K85-S190 PolarHBondContact NZ-OG 3.48Å; N87-S190 PolarHBondContact ND2-OG 3.49Å; N87-S190 PolarHBondContact OD1-OG 3.32Å; S172-S190 PolarHBondContact OG-N 3.41Å; S172-S190 PolarHBondContact OG-O 3.28Å; S172-S190 VanDerWaalsContact OG-O 3.09Å; S190-S195 CarbonylContact O-C 3.59Å; S190-S195 VanDerWaalsContact O-CB 3.27Å; S190-S195 WeakPolarHBondContact O-CB 3.46Å; S190-V229 WeakPolarHBondContact CA-O 3.35Å
191D98.7Very high98.4Very high0 Ų00.5 Ų0.50%00%0.004CC..EExtended strand (participates in β ladder)trans-130.9116.2-179-168.6-50.3000109.8G194 S195 A196 R197 K209 V229 A231 N479D191-G194 PolarHBondContact OD1-N 3.38Å; D191-G194 VanDerWaalsContact OD2-C 3.22Å; D191-S195 PolarHBondContact OD2-N 3.32Å; D191-A196 HydrophobicContact CB-CB 3.94Å; D191-A196 PolarHBondContact OD2-N 2.78Å; D191-A196 VanDerWaalsContact OD2-N 3.13Å; D191-R197 IonicContact OD1-CZ 3.91Å; D191-R197 IonicContact OD1-NE 3.58Å; D191-R197 IonicContact OD1-NH2 3.63Å; D191-R197 PolarHBondContact OD1-NH2 2.8Å; D191-R197 IonicContact OD2-CZ 3.99Å; D191-R197 PolarHBondContact OD2-N 3.19Å; D191-R197 IonicContact OD2-NE 2.81Å; D191-R197 PolarHBondContact OD2-NE 3.25Å; D191-R197 IonicContact OD2-NH2 3.24Å; D191-R197 PolarHBondContact OD2-NH2 3.34Å; D191-K209 HydrophobicContact CB-CB 4.28Å; D191-K209 HydrophobicContact CB-CD 4.11Å; D191-K209 HydrophobicContact CB-CG 3.81Å; D191-V229 PolarHBondContact N-O 2.87Å; D191-V229 PolarHBondContact O-N 3.49Å; D191-A231 HydrophobicContact CB-CB 4.04Å; D191-N479 PolarHBondContact O-ND2 3.27Å; D191-N479 PolarHBondContact OD1-ND2 3.05Å; D191-N479 PolarHBondContact OD1-OD1 2.71Å
192T98.3Very high98.5Very high1 Ų10.8 Ų0.81%0.0061%0.005CC..SBendtrans-112.9-26.9179.5-46.30000112L223 V224 L227 D228 Y345 N479T192-L223 HydrophobicContact CG2-CB 4.42Å; T192-L223 HydrophobicContact CG2-CD2 3.98Å; T192-L223 HydrophobicContact CG2-CG 4.1Å; T192-V224 HydrophobicContact CG2-CB 3.73Å; T192-V224 HydrophobicContact CG2-CG2 3.82Å; T192-L227 HydrophobicContact CG2-CB 3.91Å; T192-D228 WeakPolarHBondContact CB-OD1 3.28Å; T192-D228 WeakPolarHBondContact CG2-OD1 3.34Å; T192-D228 PolarHBondContact OG1-OD1 3.37Å; T192-Y345 HydrophobicContact CG2-CE2 4.12Å; T192-Y345 WeakPolarHBondContact O-CE2 3.25Å; T192-N479 VanDerWaalsContact O-CB 3.22Å; T192-N479 WeakPolarHBondContact O-CB 3.41Å; T192-N479 PolarHBondContact O-ND2 3.34Å; T192-N479 VanDerWaalsContact O-ND2 3.15Å
193G97.2Very high98.5Very high0 Ų00.8 Ų0.80%01%0.005CC..SBendtrans-150.19.6178.500000114.1T475 V476 N479G193-T475 CarbonylContact O-C 3.54Å; G193-T475 WeakPolarHBondContact O-CB 3.48Å; G193-T475 PolarHBondContact O-OG1 2.75Å; G193-V476 WeakPolarHBondContact O-CA 3.34Å; G193-V476 WeakPolarHBondContact O-CG2 3.42Å; G193-V476 PolarHBondContact O-N 2.93Å; G193-N479 VanDerWaalsContact C-OD1 3.32Å; G193-N479 VanDerWaalsContact CA-OD1 3.25Å; G193-N479 WeakPolarHBondContact CA-OD1 3.34Å; G193-N479 PolarHBondContact N-ND2 3.4Å
194G97.3Very high98.5Very high0 Ų01 Ų10%01%0.007CC..SBendtrans137.8-5.4-16600000113.7D191 A196 R197 L198D191-G194 PolarHBondContact OD1-N 3.38Å; D191-G194 VanDerWaalsContact OD2-C 3.22Å; G194-A196 PolarHBondContact O-N 2.96Å; G194-R197 VanDerWaalsContact CA-NH2 3.31Å; G194-R197 VanDerWaalsContact N-NH2 3.11Å; G194-R197 PolarHBondContact O-N 2.95Å; G194-L198 WeakPolarHBondContact O-CB 2.98Å; G194-L198 PolarHBondContact O-N 3.12Å
195S98.3Very high98.5Very high3 Ų31.3 Ų1.32%0.0211%0.009CC..THydrogen-bonded Turntrans-69.4-5.6-161.8-520000117.3G170 S171 S172 S190 D191 P199G170-S195 VanDerWaalsContact O-CA 3.23Å; G170-S195 WeakPolarHBondContact O-CA 3.4Å; S171-S195 VanDerWaalsContact N-CB 3.28Å; S172-S195 WeakPolarHBondContact CB-O 3.3Å; S172-S195 PolarHBondContact N-O 3.05Å; S172-S195 PolarHBondContact OG-O 3.31Å; S190-S195 CarbonylContact O-C 3.59Å; S190-S195 VanDerWaalsContact O-CB 3.27Å; S190-S195 WeakPolarHBondContact O-CB 3.46Å; D191-S195 PolarHBondContact OD2-N 3.32Å; S195-P199 WeakPolarHBondContact O-CG 3.43Å
196A98.8Very high98.5Very high0 Ų01.3 Ų1.30%01%0.009CC..THydrogen-bonded Turntrans-109.2-33.4165.600000112.1A189 D191 G194 A200 A231 I233A189-A196 HydrophobicContact CB-CB 3.83Å; D191-A196 HydrophobicContact CB-CB 3.94Å; D191-A196 PolarHBondContact OD2-N 2.78Å; D191-A196 VanDerWaalsContact OD2-N 3.13Å; G194-A196 PolarHBondContact O-N 2.96Å; A196-A200 WeakPolarHBondContact O-CB 3.38Å; A196-A200 PolarHBondContact O-N 2.96Å; A196-A200 VanDerWaalsContact O-N 3.16Å; A196-A231 HydrophobicContact CB-CB 3.36Å; A196-I233 HydrophobicContact CB-CD1 4.32Å; A196-I233 HydrophobicContact CB-CG1 4.34Å
197R98.8Very high98.5Very high0 Ų01.3 Ų1.30%01%0.009CC..Hα-helixtrans-72-48.9-177.6-69.7168.6-71.9154.2-0.3112.7D191 G194 A200 A201 K209 V448 T475 N479 S487D191-R197 IonicContact OD1-CZ 3.91Å; D191-R197 IonicContact OD1-NE 3.58Å; D191-R197 IonicContact OD1-NH2 3.63Å; D191-R197 PolarHBondContact OD1-NH2 2.8Å; D191-R197 IonicContact OD2-CZ 3.99Å; D191-R197 PolarHBondContact OD2-N 3.19Å; D191-R197 IonicContact OD2-NE 2.81Å; D191-R197 PolarHBondContact OD2-NE 3.25Å; D191-R197 IonicContact OD2-NH2 3.24Å; D191-R197 PolarHBondContact OD2-NH2 3.34Å; G194-R197 VanDerWaalsContact CA-NH2 3.31Å; G194-R197 VanDerWaalsContact N-NH2 3.11Å; G194-R197 PolarHBondContact O-N 2.95Å; R197-A200 PolarHBondContact O-N 3.27Å; R197-A201 WeakPolarHBondContact O-CB 3.13Å; R197-A201 PolarHBondContact O-N 2.74Å; R197-K209 HydrophobicContact CG-CB 4.48Å; R197-V448 HydrophobicContact CB-CG1 4.22Å; R197-T475 HydrophobicContact CB-CG2 4.45Å; R197-T475 PolarHBondContact NH1-O 3.48Å; R197-T475 PolarHBondContact NH2-O 3.27Å; R197-N479 PolarHBondContact NH2-OD1 2.83Å; R197-S487 WeakPolarHBondContact O-CB 3.45Å; R197-S487 PolarHBondContact O-OG 3.17Å
198L98.6Very high98.5Very high0 Ų01.3 Ų1.30%01%0.009CC..Hα-helixtrans-59.5-50.7177.9-175.667.3000112.7C141 G194 A200 A201 Y202 D471C141-L198 HydrophobicContact CB-CD2 3.78Å; C141-L198 VanDerWaalsContact O-CD2 3.24Å; C141-L198 WeakPolarHBondContact O-CD2 3.46Å; G194-L198 WeakPolarHBondContact O-CB 2.98Å; G194-L198 PolarHBondContact O-N 3.12Å; L198-A200 VanDerWaalsContact C-N 3.34Å; L198-A200 PolarHBondContact O-N 2.86Å; L198-A201 WeakPolarHBondContact O-CB 3.33Å; L198-A201 PolarHBondContact O-N 3.26Å; L198-Y202 HydrophobicContact CD1-CD1 4.32Å; L198-Y202 HydrophobicContact CD1-CE1 3.75Å; L198-Y202 HydrophobicContact CD1-CE2 3.93Å; L198-Y202 HydrophobicContact CG-CD2 4.5Å; L198-Y202 HydrophobicContact CG-CE2 4.15Å; L198-Y202 PolarHBondContact O-N 3.27Å; L198-D471 HydrophobicContact CD2-CB 3.93Å
199P98.8Very high98.5Very high0 Ų01.3 Ų1.30%01%0.009CC..Hα-helixtrans-67.5-33.3177.624.9-33.5000113.3S168 A176 S195 A201 C203S168-P199 WeakPolarHBondContact O-CA 3.36Å; S168-P199 WeakPolarHBondContact O-CB 3.28Å; A176-P199 VanDerWaalsContact CB-C 3.42Å; A176-P199 HydrophobicContact CB-CB 3.72Å; A176-P199 VanDerWaalsContact CB-O 3.25Å; A176-P199 WeakPolarHBondContact CB-O 3.36Å; S195-P199 WeakPolarHBondContact O-CG 3.43Å; P199-A201 VanDerWaalsContact C-N 3.33Å; P199-C203 VanDerWaalsContact O-CB 3.28Å; P199-C203 WeakPolarHBondContact O-CB 3.45Å; P199-C203 PolarHBondContact O-N 3.02Å; P199-C203 PolarHBondContact O-SG 3.12Å
200A98.9Very high98.5Very high0 Ų01.3 Ų1.30%01%0.009CC..Hα-helixtrans-62.1-43.1172.100000111.5A196 R197 L198 C203 G204 V205 I233A196-A200 WeakPolarHBondContact O-CB 3.38Å; A196-A200 PolarHBondContact O-N 2.96Å; A196-A200 VanDerWaalsContact O-N 3.16Å; R197-A200 PolarHBondContact O-N 3.27Å; L198-A200 VanDerWaalsContact C-N 3.34Å; L198-A200 PolarHBondContact O-N 2.86Å; A200-C203 PolarHBondContact O-N 3.19Å; A200-G204 PolarHBondContact O-N 2.82Å; A200-V205 CarbonylContact C-O 3.59Å; A200-V205 HydrophobicContact CB-CG2 4.06Å; A200-V205 WeakPolarHBondContact CB-O 3.45Å; A200-V205 PolarHBondContact O-N 3.46Å; A200-V205 VanDerWaalsContact O-O 3.11Å; A200-I233 HydrophobicContact CB-CG2 4.3Å
201A98.7Very high98.5Very high5 Ų51.2 Ų1.24%0.0411%0.008CC..Hα-helixtrans-59.3-48.6177.300000112.9R197 L198 P199 G204 V448 S487 S501R197-A201 WeakPolarHBondContact O-CB 3.13Å; R197-A201 PolarHBondContact O-N 2.74Å; L198-A201 WeakPolarHBondContact O-CB 3.33Å; L198-A201 PolarHBondContact O-N 3.26Å; P199-A201 VanDerWaalsContact C-N 3.33Å; A201-G204 PolarHBondContact O-N 2.77Å; A201-V448 HydrophobicContact CB-CB 3.78Å; A201-V448 HydrophobicContact CB-CG1 3.7Å; A201-V448 HydrophobicContact CB-CG2 3.9Å; A201-S487 WeakPolarHBondContact CB-OG 3.38Å; A201-S501 VanDerWaalsContact CA-CB 3.5Å; A201-S501 WeakPolarHBondContact CA-OG 3.24Å; A201-S501 PolarHBondContact O-OG 2.82Å
202Y98.6Very high98.5Very high7 Ų73.7 Ų3.73%0.0272%0.018CC..Hα-helixtrans-71.9-31-177.8-72.5-1.8000113.2N154 I167 L198 S449 S451 P453N154-Y202 PolarHBondContact ND2-O 2.87Å; I167-Y202 HydrophobicContact CD1-CD2 4.38Å; I167-Y202 HydrophobicContact CD1-CE2 3.82Å; I167-Y202 HydrophobicContact CG1-CD2 4.24Å; I167-Y202 HydrophobicContact CG1-CE2 4.15Å; L198-Y202 HydrophobicContact CD1-CD1 4.32Å; L198-Y202 HydrophobicContact CD1-CE1 3.75Å; L198-Y202 HydrophobicContact CD1-CE2 3.93Å; L198-Y202 HydrophobicContact CG-CD2 4.5Å; L198-Y202 HydrophobicContact CG-CE2 4.15Å; L198-Y202 PolarHBondContact O-N 3.27Å; Y202-S449 PolarHBondContact OH-OG 3.21Å; Y202-S451 WeakPolarHBondContact CE1-O 3.26Å; Y202-S451 PolarHBondContact OH-O 2.98Å; Y202-P453 HydrophobicContact CD1-CB 4.42Å; Y202-P453 HydrophobicContact CD1-CG 4.36Å; Y202-P453 HydrophobicContact CD2-CB 3.77Å; Y202-P453 HydrophobicContact CD2-CG 4.46Å; Y202-P453 HydrophobicContact CE2-CB 4.18Å; Y202-P453 HydrophobicContact CG-CB 3.92Å; Y202-P453 HydrophobicContact CG-CG 4.09Å
203C98.6Very high98.5Very high0 Ų04.5 Ų4.50%02%0.023CC..Hα-helixtrans-88.9-2.6178.1-69.50000113.3W156 A176 A180 P199 A200 V205W156-C203 PolarHBondContact NE1-O 2.98Å; A176-C203 HydrophobicContact CB-CB 3.94Å; A180-C203 HydrophobicContact CB-CB 3.9Å; A180-C203 WeakPolarHBondContact CB-O 3.48Å; P199-C203 VanDerWaalsContact O-CB 3.28Å; P199-C203 WeakPolarHBondContact O-CB 3.45Å; P199-C203 PolarHBondContact O-N 3.02Å; P199-C203 PolarHBondContact O-SG 3.12Å; A200-C203 PolarHBondContact O-N 3.19Å; C203-V205 HydrophobicContact CB-CG2 4.28Å
204G98.2Very high98.5Very high5 Ų54.5 Ų4.55%0.0522%0.023CC..THydrogen-bonded Turntrans68.443.517800000113.3A200 A201 F527A200-G204 PolarHBondContact O-N 2.82Å; A201-G204 PolarHBondContact O-N 2.77Å; G204-F527 WeakPolarHBondContact O-CE1 3.42Å
205V98.7Very high98.5Very high5 Ų54.6 Ų4.63%0.032%0.024CC..SBendtrans-133.7170.8178.2-65.60000110.3A176 V179 A180 A200 C203 I233A176-V205 HydrophobicContact CB-CG2 4.26Å; V179-V205 HydrophobicContact CG1-CB 4.25Å; V179-V205 HydrophobicContact CG1-CG1 3.93Å; A180-V205 HydrophobicContact CB-CG1 3.74Å; A200-V205 CarbonylContact C-O 3.59Å; A200-V205 HydrophobicContact CB-CG2 4.06Å; A200-V205 WeakPolarHBondContact CB-O 3.45Å; A200-V205 PolarHBondContact O-N 3.46Å; A200-V205 VanDerWaalsContact O-O 3.11Å; C203-V205 HydrophobicContact CB-CG2 4.28Å; V205-I233 HydrophobicContact CB-CG2 4.37Å; V205-I233 HydrophobicContact CG2-CG2 3.52Å
206V98.7Very high98.5Very high0 Ų04.5 Ų4.50%02%0.023CC..EExtended strand (participates in β ladder)trans-89130-177.9-175.10000110.2I233 A234 V237 V240 I486 S487 F488V206-I233 CarbonylContact O-C 3.42Å; V206-I233 VanDerWaalsContact O-CA 3.25Å; V206-I233 WeakPolarHBondContact O-CA 3.33Å; V206-I233 WeakPolarHBondContact O-CG2 3.37Å; V206-A234 PolarHBondContact N-O 3.07Å; V206-A234 PolarHBondContact O-N 3.36Å; V206-V237 HydrophobicContact CG1-CG2 4.21Å; V206-V237 HydrophobicContact CG2-CG2 4.3Å; V206-V240 HydrophobicContact CB-CG2 4.12Å; V206-V240 HydrophobicContact CG1-CG2 3.75Å; V206-I486 HydrophobicContact CG1-CD1 3.61Å; V206-I486 HydrophobicContact CG1-CG1 3.83Å; V206-S487 CarbonylContact C-O 3.48Å; V206-S487 WeakPolarHBondContact CA-O 3.18Å; V206-F488 HydrophobicContact CG2-CB 4.39Å
207G98.8Very high98.5Very high0 Ų06.2 Ų6.20%03%0.029CC..EExtended strand (participates in β ladder)trans-126.9111.2178.700000111.7I232 I486 S487G207-I232 CarbonylContact C-O 3.43Å; G207-I232 WeakPolarHBondContact CA-O 3.5Å; G207-I486 CarbonylContact O-C 3.59Å; G207-I486 WeakPolarHBondContact O-CA 3.21Å; G207-S487 PolarHBondContact N-O 3.29Å; G207-S487 PolarHBondContact O-N 3.24Å
208L98.9Very high98.5Very high0 Ų09.8 Ų9.80%05%0.046CC..EExtended strand (participates in β ladder)trans-99.5125.9176.4175.369.5000110.9P210 A231 I232 V240 L244 I486 L515L208-P210 HydrophobicContact CD2-CG 4.43Å; L208-P210 HydrophobicContact CG-CG 4.4Å; L208-P210 WeakPolarHBondContact O-CD 3.13Å; L208-A231 WeakPolarHBondContact O-CA 3.37Å; L208-A231 VanDerWaalsContact O-CB 3.29Å; L208-A231 WeakPolarHBondContact O-CB 3.39Å; L208-I232 HydrophobicContact CD2-CD1 4.47Å; L208-I232 PolarHBondContact N-O 2.82Å; L208-I232 PolarHBondContact O-N 2.99Å; L208-V240 HydrophobicContact CB-CG1 3.53Å; L208-V240 HydrophobicContact CD2-CG1 3.52Å; L208-V240 HydrophobicContact CG-CG1 4.14Å; L208-L244 HydrophobicContact CD2-CD2 3.86Å; L208-I486 HydrophobicContact CD1-CB 4.05Å; L208-L515 HydrophobicContact CD2-CD1 4.37Å; L208-L515 HydrophobicContact CD2-CD2 4.36Å
209K98.8Very high98.5Very high0 Ų010.2 Ų10.20%05%0.05CC..EExtended strand (participates in β ladder)trans-101.3107.1160.7-173.1-160.679.564.50109.2D191 R197 V229 L483 P484 A485D191-K209 HydrophobicContact CB-CB 4.28Å; D191-K209 HydrophobicContact CB-CD 4.11Å; D191-K209 HydrophobicContact CB-CG 3.81Å; R197-K209 HydrophobicContact CG-CB 4.48Å; K209-V229 HydrophobicContact CG-CB 4.17Å; K209-V229 HydrophobicContact CG-CG1 4.19Å; K209-L483 WeakPolarHBondContact CE-O 3.27Å; K209-L483 PolarHBondContact NZ-O 3.44Å; K209-P484 CarbonylContact O-C 3.32Å; K209-P484 VanDerWaalsContact O-CA 3.28Å; K209-P484 WeakPolarHBondContact O-CA 3.45Å; K209-A485 PolarHBondContact N-O 2.93Å; K209-A485 PolarHBondContact O-N 3.34Å
210P98.7Very high98.4Very high0 Ų010.8 Ų10.80%05%0.053CC..PPolyproline II helixtrans-61.1169.3174.6-23.133.8000113.7L208 Y212 L214 V229 P230L208-P210 HydrophobicContact CD2-CG 4.43Å; L208-P210 HydrophobicContact CG-CG 4.4Å; L208-P210 WeakPolarHBondContact O-CD 3.13Å; P210-Y212 PolarHBondContact O-N 3.27Å; P210-L214 HydrophobicContact CB-CB 4.47Å; P210-L214 HydrophobicContact CB-CD2 3.99Å; P210-V229 HydrophobicContact CB-CG1 4.36Å; P210-P230 VanDerWaalsContact CD-O 3.3Å; P210-P230 WeakPolarHBondContact CD-O 3.3Å
211T98.7Very high98.4Very high0 Ų011.6 Ų11.60%06%0.057CC..PPolyproline II helixtrans-52.6133167.2-67.60000109.8T213 L214 P484 Y508 F509 E511T211-T213 PolarHBondContact O-N 3.49Å; T211-L214 VanDerWaalsContact O-CB 3.3Å; T211-L214 WeakPolarHBondContact O-CB 3.43Å; T211-L214 PolarHBondContact O-N 3.16Å; T211-P484 VanDerWaalsContact OG1-CD 3.27Å; T211-P484 WeakPolarHBondContact OG1-CD 3.37Å; T211-P484 WeakPolarHBondContact OG1-CG 3.47Å; T211-Y508 HydrophobicContact CG2-CD1 3.7Å; T211-F509 HydrophobicContact CG2-CD1 3.76Å; T211-F509 HydrophobicContact CG2-CE1 3.51Å; T211-F509 HydrophobicContact CG2-CG 4.39Å; T211-F509 HydrophobicContact CG2-CZ 3.95Å; T211-F509 PolarHBondContact OG1-N 2.84Å; T211-E511 WeakPolarHBondContact CA-OE1 3.28Å; T211-E511 WeakPolarHBondContact CB-OE1 3.25Å; T211-E511 PolarHBondContact N-OE1 3.23Å; T211-E511 PolarHBondContact OG1-OE1 2.87Å
212Y98.2Very high98.4Very high51 Ų5112.4 Ų12.420%0.26%0.062CC..THydrogen-bonded Turntrans-55.8130.8170.7179.5-102000108.9P210 R217 N225 T226 V229 G482P210-Y212 PolarHBondContact O-N 3.27Å; Y212-R217 VanDerWaalsContact CZ-NH1 3.34Å; Y212-R217 PolarHBondContact OH-NH1 3.1Å; Y212-R217 PolarHBondContact OH-NH2 2.98Å; Y212-N225 PolarHBondContact OH-O 2.96Å; Y212-N225 VanDerWaalsContact OH-O 3.13Å; Y212-T226 WeakPolarHBondContact CE2-O 3.39Å; Y212-T226 VanDerWaalsContact CZ-O 3.31Å; Y212-V229 HydrophobicContact CD2-CG2 3.88Å; Y212-G482 PolarHBondContact N-O 3.33Å
213T97.3Very high98.3Very high19 Ų1912.1 Ų12.112%0.1176%0.061CC..THydrogen-bonded Turntrans76.80.2-172.179.70000117.7T211 T261 C262 S263T211-T213 PolarHBondContact O-N 3.49Å; T213-T261 WeakPolarHBondContact CB-O 3.48Å; T213-T261 WeakPolarHBondContact CG2-O 3.3Å; T213-C262 PolarHBondContact O-SG 3.21Å; T213-C262 VanDerWaalsContact O-SG 3.41Å; T213-S263 PolarHBondContact O-N 3.36Å; T213-S263 WeakPolarHBondContact OG1-CB 3.26Å; T213-S263 PolarHBondContact OG1-OG 3.2Å
214L98Very high98.3Very high0 Ų012.1 Ų12.10%06%0.061CC..THydrogen-bonded Turntrans-72.6-31.7172.4-176.473.3000112P210 T211 L244 L248 R256 L265 M273 F509 E511P210-L214 HydrophobicContact CB-CB 4.47Å; P210-L214 HydrophobicContact CB-CD2 3.99Å; T211-L214 VanDerWaalsContact O-CB 3.3Å; T211-L214 WeakPolarHBondContact O-CB 3.43Å; T211-L214 PolarHBondContact O-N 3.16Å; L214-L244 HydrophobicContact CD2-CD1 4.45Å; L214-L248 HydrophobicContact CD1-CD1 4.44Å; L214-L248 HydrophobicContact CD1-CD2 4.27Å; L214-L248 HydrophobicContact CD2-CD1 4.09Å; L214-L248 HydrophobicContact CG-CD1 4.45Å; L214-L248 HydrophobicContact CG-CD2 4.11Å; L214-R256 VanDerWaalsContact CD1-NH1 3.32Å; L214-R256 WeakPolarHBondContact O-CD 3.23Å; L214-R256 PolarHBondContact O-NE 3.05Å; L214-R256 PolarHBondContact O-NH1 3.05Å; L214-L265 HydrophobicContact CD1-CD1 3.83Å; L214-M273 HydrophobicContact CD1-CE 4.48Å; L214-M273 HydrophobicContact CD1-SD 4.43Å; L214-M273 HydrophobicContact CD2-CE 4.49Å; L214-F509 HydrophobicContact CB-CE1 4.46Å; L214-F509 HydrophobicContact CD1-CD1 3.88Å; L214-F509 HydrophobicContact CD1-CE1 4.24Å; L214-E511 HydrophobicContact CD2-CG 4.1Å; L214-E511 WeakPolarHBondContact CD2-OE1 3.38Å
215V98.3Very high98.2Very high2 Ų215 Ų151%0.0128%0.076CC..SBendtrans-128.5137.4-177.6-175.70000108.6V117 P230 W247 A255V117-V215 HydrophobicContact CG1-CG1 3.28Å; V215-P230 HydrophobicContact CB-CG 4.43Å; V215-P230 HydrophobicContact CG1-CB 4.25Å; V215-P230 HydrophobicContact CG1-CG 4.12Å; V215-W247 HydrophobicContact CB-CE3 4.45Å; V215-W247 HydrophobicContact CG1-CD2 4.23Å; V215-W247 HydrophobicContact CG1-CE3 3.85Å; V215-W247 HydrophobicContact CG1-CZ3 4.25Å; V215-W247 HydrophobicContact CG2-CE3 3.91Å; V215-W247 HydrophobicContact CG2-CZ3 4.47Å; V215-A255 HydrophobicContact CG1-CB 4.25Å
216S98.2Very high98Very high1 Ų117.1 Ų17.11%0.0079%0.089CC..  trans-63.2136.2-179.3174.10000111.6A116 H218 P230 A255 T257 D259A116-S216 WeakPolarHBondContact CB-OG 3.32Å; S216-H218 VanDerWaalsContact C-N 3.33Å; S216-H218 VanDerWaalsContact OG-CB 3.3Å; S216-H218 WeakPolarHBondContact OG-CB 3.37Å; S216-H218 PolarHBondContact OG-N 2.86Å; S216-H218 VanDerWaalsContact OG-N 3.11Å; S216-P230 WeakPolarHBondContact O-CG 3.2Å; S216-A255 VanDerWaalsContact CB-O 3.24Å; S216-A255 WeakPolarHBondContact CB-O 3.24Å; S216-A255 PolarHBondContact N-O 2.77Å; S216-T257 VanDerWaalsContact CB-O 3.23Å; S216-T257 WeakPolarHBondContact CB-O 2.99Å; S216-T257 PolarHBondContact OG-O 3.32Å; S216-D259 VanDerWaalsContact OG-CB 3.26Å; S216-D259 WeakPolarHBondContact OG-CB 3.39Å
217R98Very high98Very high35 Ų3517.2 Ų17.213%0.1329%0.089CC..  trans-95.38.4174.2-62.6156.4-51.2156.18.6112.4Y212 G219 L220 N225 D228 P230 D259 T261Y212-R217 VanDerWaalsContact CZ-NH1 3.34Å; Y212-R217 PolarHBondContact OH-NH1 3.1Å; Y212-R217 PolarHBondContact OH-NH2 2.98Å; R217-G219 PolarHBondContact O-N 2.99Å; R217-G219 VanDerWaalsContact O-N 3.17Å; R217-L220 HydrophobicContact CB-CB 4.41Å; R217-L220 HydrophobicContact CB-CD2 4.49Å; R217-L220 HydrophobicContact CG-CD2 4.39Å; R217-L220 WeakPolarHBondContact O-CB 3.47Å; R217-L220 PolarHBondContact O-N 2.99Å; R217-N225 PolarHBondContact NH1-O 2.94Å; R217-D228 WeakPolarHBondContact CD-O 3.41Å; R217-P230 HydrophobicContact CG-CG 4.07Å; R217-D259 IonicContact CZ-OD2 3.25Å; R217-D259 PolarHBondContact N-OD2 2.89Å; R217-D259 VanDerWaalsContact N-OD2 3.15Å; R217-D259 IonicContact NE-OD2 2.87Å; R217-D259 PolarHBondContact NE-OD2 3.04Å; R217-D259 IonicContact NH2-OD1 2.71Å; R217-D259 IonicContact NH2-OD2 2.7Å; R217-D259 PolarHBondContact NH2-OD2 3.14Å; R217-T261 PolarHBondContact NH2-OG1 3.24Å
218H98.3Very high98Very high76 Ų7617.5 Ų17.535%0.3529%0.091SC..THydrogen-bonded Turntrans-55.6124.2175.9-174.883.5000110.6Y113 A115 A116 S216 L220 G258Y113-H218 AromaticContact CD2-NE2 3.95Å; A115-H218 CarbonylContact C-O 3.58Å; A115-H218 WeakPolarHBondContact CA-O 3.37Å; A115-H218 WeakPolarHBondContact CB-O 3.35Å; A116-H218 HydrophobicContact CB-CB 3.92Å; A116-H218 PolarHBondContact N-O 3.43Å; S216-H218 VanDerWaalsContact C-N 3.33Å; S216-H218 VanDerWaalsContact OG-CB 3.3Å; S216-H218 WeakPolarHBondContact OG-CB 3.37Å; S216-H218 PolarHBondContact OG-N 2.86Å; S216-H218 VanDerWaalsContact OG-N 3.11Å; H218-L220 PolarHBondContact O-N 3.45Å; H218-G258 PolarHBondContact ND1-O 2.92Å
219G98.2Very high98Very high8 Ų817.8 Ų17.88%0.0829%0.092CC..THydrogen-bonded Turntrans72.86.2-176.400000115.8C89 R217C89-G219 WeakPolarHBondContact CB-O 3.23Å; C89-G219 PolarHBondContact N-O 2.95Å; R217-G219 PolarHBondContact O-N 2.99Å; R217-G219 VanDerWaalsContact O-N 3.17Å
220L98.6Very high98Very high12 Ų1217.8 Ų17.86%0.0639%0.092CC..BIsolated β-bridgetrans-79.6117.7156.417255.9000107.6N87 F88 R217 H218 P222 D228 P230N87-L220 HydrophobicContact CB-CD1 4.37Å; N87-L220 WeakPolarHBondContact ND2-CD1 3.48Å; F88-L220 HydrophobicContact CD1-CB 4.11Å; F88-L220 HydrophobicContact CD1-CD1 4.22Å; F88-L220 HydrophobicContact CD2-CD1 4.22Å; F88-L220 HydrophobicContact CE1-CB 3.87Å; F88-L220 HydrophobicContact CE1-CD1 3.88Å; F88-L220 HydrophobicContact CE1-CD2 4.25Å; F88-L220 HydrophobicContact CE1-CG 4.21Å; F88-L220 HydrophobicContact CE2-CD1 3.88Å; F88-L220 HydrophobicContact CG-CD1 4.38Å; F88-L220 HydrophobicContact CZ-CB 4.49Å; F88-L220 HydrophobicContact CZ-CD1 3.7Å; F88-L220 HydrophobicContact CZ-CD2 4.18Å; F88-L220 HydrophobicContact CZ-CG 4.34Å; R217-L220 HydrophobicContact CB-CB 4.41Å; R217-L220 HydrophobicContact CB-CD2 4.49Å; R217-L220 HydrophobicContact CG-CD2 4.39Å; R217-L220 WeakPolarHBondContact O-CB 3.47Å; R217-L220 PolarHBondContact O-N 2.99Å; H218-L220 PolarHBondContact O-N 3.45Å; L220-P222 WeakPolarHBondContact O-CD 3.49Å; L220-D228 HydrophobicContact CD2-CB 4.1Å; L220-P230 HydrophobicContact CD2-CG 4.47Å
221I98.3Very high98Very high17 Ų1717.8 Ų17.89%0.0879%0.092CC..PPolyproline II helixtrans-66.2119.7174.5-68.1173.6000108N87 T99 C101 L106 F137 Y360N87-I221 HydrophobicContact CB-CB 4.31Å; N87-I221 PolarHBondContact O-N 3.08Å; T99-I221 HydrophobicContact CG2-CD1 3.59Å; C101-I221 WeakPolarHBondContact SG-CD1 3.34Å; L106-I221 HydrophobicContact CD1-CD1 4Å; F137-I221 HydrophobicContact CD1-CG2 4.2Å; F137-I221 HydrophobicContact CE1-CG2 4.21Å; I221-Y360 WeakPolarHBondContact CG2-OH 2.97Å
222P97.4Very high98Very high23 Ų2317.8 Ų17.815%0.1499%0.092CC..PPolyproline II helixtrans-77.6137.4-165.129.7-35.7000112.4L220 N225 D228L220-P222 WeakPolarHBondContact O-CD 3.49Å; P222-N225 VanDerWaalsContact CB-OD1 3.27Å; P222-N225 WeakPolarHBondContact CB-OD1 3.47Å; P222-D228 VanDerWaalsContact CA-OD2 3.24Å; P222-D228 WeakPolarHBondContact CA-OD2 3.35Å
223L98Very high98Very high1 Ų115.3 Ų15.31%0.0058%0.083CC..SBendtrans-90.2-62.6160.9171.953.9000108.7A138 M139 T192 D228 V353 N356A138-L223 HydrophobicContact CB-CB 4.44Å; A138-L223 HydrophobicContact CB-CD2 4.06Å; A138-L223 VanDerWaalsContact O-CD2 3.32Å; A138-L223 WeakPolarHBondContact O-CD2 3.22Å; M139-L223 HydrophobicContact CE-CD1 3.87Å; M139-L223 HydrophobicContact CG-CD1 3.59Å; M139-L223 HydrophobicContact SD-CD1 4.19Å; T192-L223 HydrophobicContact CG2-CB 4.42Å; T192-L223 HydrophobicContact CG2-CD2 3.98Å; T192-L223 HydrophobicContact CG2-CG 4.1Å; L223-D228 PolarHBondContact N-OD2 3.13Å; L223-V353 HydrophobicContact CD1-CG2 3.48Å; L223-V353 VanDerWaalsContact CD1-CG2 3.48Å; L223-N356 PolarHBondContact O-ND2 2.87Å
224V97.6Very high98.1Very high0 Ų014.4 Ų14.40%08%0.077CC..  trans-131.4107174.2-174.30000108.7T192 T226 L227 D228 C349 E352T192-V224 HydrophobicContact CG2-CB 3.73Å; T192-V224 HydrophobicContact CG2-CG2 3.82Å; V224-T226 PolarHBondContact O-N 3.5Å; V224-L227 HydrophobicContact CB-CB 4.16Å; V224-L227 HydrophobicContact CB-CD1 4.43Å; V224-L227 HydrophobicContact CB-CG 4.39Å; V224-L227 HydrophobicContact CG1-CB 4.08Å; V224-L227 HydrophobicContact CG1-CD1 3.95Å; V224-L227 HydrophobicContact CG1-CG 3.81Å; V224-L227 PolarHBondContact O-N 2.81Å; V224-D228 PolarHBondContact N-OD1 3.27Å; V224-D228 VanDerWaalsContact N-OD1 3.14Å; V224-D228 PolarHBondContact N-OD2 2.82Å; V224-D228 WeakPolarHBondContact O-CB 3.41Å; V224-D228 PolarHBondContact O-N 3.41Å; V224-C349 VanDerWaalsContact CG2-CA 3.49Å; V224-C349 HydrophobicContact CG2-CB 3.66Å; V224-C349 WeakPolarHBondContact CG2-SG 3.48Å; V224-E352 HydrophobicContact CG1-CB 4.11Å; V224-E352 VanDerWaalsContact CG1-CD 3.48Å; V224-E352 HydrophobicContact CG1-CG 4.13Å; V224-E352 WeakPolarHBondContact CG1-OE1 3.06Å
225N96Very high98.1Very high66 Ų6615.6 Ų15.635%0.3539%0.085SC..THydrogen-bonded Turntrans-60.1-22.1-176.6-52.5-88.5000112.1Y212 R217 P222 E352 N356Y212-N225 PolarHBondContact OH-O 2.96Å; Y212-N225 VanDerWaalsContact OH-O 3.13Å; R217-N225 PolarHBondContact NH1-O 2.94Å; P222-N225 VanDerWaalsContact CB-OD1 3.27Å; P222-N225 WeakPolarHBondContact CB-OD1 3.47Å; N225-E352 WeakPolarHBondContact CA-OE2 3.4Å; N225-E352 VanDerWaalsContact CB-OE2 3.3Å; N225-E352 WeakPolarHBondContact CB-OE2 3.35Å; N225-E352 PolarHBondContact N-OE2 3.16Å; N225-E352 PolarHBondContact ND2-OE2 2.93Å; N225-N356 PolarHBondContact ND2-ND2 3.34Å; N225-N356 PolarHBondContact ND2-OD1 3.05Å
226T95.5Very high98Very high49 Ų4915.7 Ų15.730%0.3019%0.085SC..THydrogen-bonded Turntrans-82.3-16.5178.2-54.70000113.5Y212 V224 E352 W427Y212-T226 WeakPolarHBondContact CE2-O 3.39Å; Y212-T226 VanDerWaalsContact CZ-O 3.31Å; V224-T226 PolarHBondContact O-N 3.5Å; T226-E352 WeakPolarHBondContact CB-OE1 3.34Å; T226-E352 PolarHBondContact N-OE1 3.5Å; T226-E352 PolarHBondContact OG1-OE1 2.98Å; T226-W427 HydrophobicContact CG2-CH2 3.1Å; T226-W427 HydrophobicContact CG2-CZ2 3.75Å; T226-W427 HydrophobicContact CG2-CZ3 3.87Å
227L97.9Very high97.9Very high2 Ų215.7 Ų15.71%0.019%0.085CC..THydrogen-bonded Turntrans-127.7-20.3-169.4-56.5179.8000114.4T192 V224 V229 Y345 W427 L480T192-L227 HydrophobicContact CG2-CB 3.91Å; V224-L227 HydrophobicContact CB-CB 4.16Å; V224-L227 HydrophobicContact CB-CD1 4.43Å; V224-L227 HydrophobicContact CB-CG 4.39Å; V224-L227 HydrophobicContact CG1-CB 4.08Å; V224-L227 HydrophobicContact CG1-CD1 3.95Å; V224-L227 HydrophobicContact CG1-CG 3.81Å; V224-L227 PolarHBondContact O-N 2.81Å; L227-V229 PolarHBondContact O-N 2.87Å; L227-Y345 HydrophobicContact CD1-CD2 3.64Å; L227-Y345 HydrophobicContact CD1-CE2 3.86Å; L227-W427 HydrophobicContact CD2-CZ2 4.39Å; L227-L480 HydrophobicContact CD1-CD2 4.08Å; L227-L480 HydrophobicContact CD2-CD2 4.03Å
228D98.4Very high97.9Very high6 Ų614.3 Ų14.33%0.0328%0.081CC..  trans-61.2134.7-178.2-69-20.4000111.2T192 R217 L220 P222 L223 V224T192-D228 WeakPolarHBondContact CB-OD1 3.28Å; T192-D228 WeakPolarHBondContact CG2-OD1 3.34Å; T192-D228 PolarHBondContact OG1-OD1 3.37Å; R217-D228 WeakPolarHBondContact CD-O 3.41Å; L220-D228 HydrophobicContact CD2-CB 4.1Å; P222-D228 VanDerWaalsContact CA-OD2 3.24Å; P222-D228 WeakPolarHBondContact CA-OD2 3.35Å; L223-D228 PolarHBondContact N-OD2 3.13Å; V224-D228 PolarHBondContact N-OD1 3.27Å; V224-D228 VanDerWaalsContact N-OD1 3.14Å; V224-D228 PolarHBondContact N-OD2 2.82Å; V224-D228 WeakPolarHBondContact O-CB 3.41Å; V224-D228 PolarHBondContact O-N 3.41Å
229V98.5Very high97.8Very high5 Ų510.7 Ų10.73%0.036%0.064CC..EExtended strand (participates in β ladder)trans-136.5133.7173.9-178.90000109.6S190 D191 K209 P210 Y212 L227 A231S190-V229 WeakPolarHBondContact CA-O 3.35Å; D191-V229 PolarHBondContact N-O 2.87Å; D191-V229 PolarHBondContact O-N 3.49Å; K209-V229 HydrophobicContact CG-CB 4.17Å; K209-V229 HydrophobicContact CG-CG1 4.19Å; P210-V229 HydrophobicContact CB-CG1 4.36Å; Y212-V229 HydrophobicContact CD2-CG2 3.88Å; L227-V229 PolarHBondContact O-N 2.87Å; V229-A231 PolarHBondContact O-N 2.92Å
230P98.8Very high97.8Very high0 Ų010.3 Ų10.30%06%0.06CC..EExtended strand (participates in β ladder)trans-64.9126.4165.7-16.432.3000109.6F88 V117 P210 V215 S216 R217 L220 W247F88-P230 HydrophobicContact CE1-CB 3.97Å; F88-P230 HydrophobicContact CE1-CG 4.34Å; F88-P230 HydrophobicContact CZ-CB 4.06Å; V117-P230 HydrophobicContact CG1-CB 3.91Å; V117-P230 HydrophobicContact CG1-CG 4.2Å; P210-P230 VanDerWaalsContact CD-O 3.3Å; P210-P230 WeakPolarHBondContact CD-O 3.3Å; V215-P230 HydrophobicContact CB-CG 4.43Å; V215-P230 HydrophobicContact CG1-CB 4.25Å; V215-P230 HydrophobicContact CG1-CG 4.12Å; S216-P230 WeakPolarHBondContact O-CG 3.2Å; R217-P230 HydrophobicContact CG-CG 4.07Å; L220-P230 HydrophobicContact CD2-CG 4.47Å; P230-W247 HydrophobicContact CB-CH2 4.09Å; P230-W247 HydrophobicContact CB-CZ3 4.25Å
231A98.9Very high97.8Very high0 Ų09.8 Ų9.80%06%0.057CC..EExtended strand (participates in β ladder)trans-121.1162.3-173.600000110.7A189 D191 A196 L208 V229A189-A231 HydrophobicContact CB-CB 4.12Å; A189-A231 PolarHBondContact N-O 2.75Å; A189-A231 PolarHBondContact O-N 3.21Å; D191-A231 HydrophobicContact CB-CB 4.04Å; A196-A231 HydrophobicContact CB-CB 3.36Å; L208-A231 WeakPolarHBondContact O-CA 3.37Å; L208-A231 VanDerWaalsContact O-CB 3.29Å; L208-A231 WeakPolarHBondContact O-CB 3.39Å; V229-A231 PolarHBondContact O-N 2.92Å
232I98.9Very high97.7Very high0 Ų09 Ų90%05%0.053CC..EExtended strand (participates in β ladder)trans-120134.7-176.6-58.7164.6000107.9G207 L208 V240 V243 L244 W247G207-I232 CarbonylContact C-O 3.43Å; G207-I232 WeakPolarHBondContact CA-O 3.5Å; L208-I232 HydrophobicContact CD2-CD1 4.47Å; L208-I232 PolarHBondContact N-O 2.82Å; L208-I232 PolarHBondContact O-N 2.99Å; I232-V240 HydrophobicContact CB-CG1 4.37Å; I232-V240 HydrophobicContact CD1-CG1 4.48Å; I232-V240 HydrophobicContact CG2-CB 4.35Å; I232-V240 HydrophobicContact CG2-CG1 4.19Å; I232-V240 HydrophobicContact CG2-CG2 4.11Å; I232-V243 HydrophobicContact CB-CG1 4.48Å; I232-V243 HydrophobicContact CD1-CB 3.97Å; I232-V243 HydrophobicContact CD1-CG1 3.74Å; I232-V243 HydrophobicContact CG1-CB 4.31Å; I232-V243 HydrophobicContact CG1-CG1 3.76Å; I232-V243 HydrophobicContact CG2-CB 3.81Å; I232-V243 HydrophobicContact CG2-CG1 3.9Å; I232-V243 HydrophobicContact CG2-CG2 4.09Å; I232-L244 HydrophobicContact CD1-CB 3.81Å; I232-L244 HydrophobicContact CD1-CD1 4.26Å; I232-W247 HydrophobicContact CD1-CE3 3.88Å; I232-W247 HydrophobicContact CD1-CH2 4.27Å; I232-W247 HydrophobicContact CD1-CZ3 3.69Å; I232-W247 HydrophobicContact CG1-CE3 4.13Å; I232-W247 HydrophobicContact CG1-CH2 3.59Å; I232-W247 HydrophobicContact CG1-CZ2 4.37Å; I232-W247 HydrophobicContact CG1-CZ3 3.45Å; I232-W247 VanDerWaalsContact CG1-CZ3 3.45Å
233I98.9Very high97.7Very high0 Ų07.9 Ų7.90%05%0.046CC..EExtended strand (participates in β ladder)trans-123.6129.3167.8-55.4178000108.6A176 V179 A186 S187 A189 A196 A200 V205 V206A176-I233 HydrophobicContact CB-CD1 3.98Å; A176-I233 HydrophobicContact CB-CG2 4.34Å; V179-I233 HydrophobicContact CB-CG2 4.32Å; V179-I233 HydrophobicContact CG2-CG2 4.19Å; A186-I233 CarbonylContact C-O 3.59Å; A186-I233 WeakPolarHBondContact CA-O 3.35Å; S187-I233 PolarHBondContact N-O 3.11Å; S187-I233 PolarHBondContact O-N 3.02Å; A189-I233 HydrophobicContact CB-CD1 3.8Å; A189-I233 HydrophobicContact CB-CG1 3.92Å; A196-I233 HydrophobicContact CB-CD1 4.32Å; A196-I233 HydrophobicContact CB-CG1 4.34Å; A200-I233 HydrophobicContact CB-CG2 4.3Å; V205-I233 HydrophobicContact CB-CG2 4.37Å; V205-I233 HydrophobicContact CG2-CG2 3.52Å; V206-I233 CarbonylContact O-C 3.42Å; V206-I233 VanDerWaalsContact O-CA 3.25Å; V206-I233 WeakPolarHBondContact O-CA 3.33Å; V206-I233 WeakPolarHBondContact O-CG2 3.37Å
234A98.6Very high97.7Very high0 Ų07.8 Ų7.80%05%0.046CC..EExtended strand (participates in β ladder)trans-149.6166.5-179.100000111.5A186 V206 S236 D239 V240A186-A234 HydrophobicContact CB-CB 4.41Å; V206-A234 PolarHBondContact N-O 3.07Å; V206-A234 PolarHBondContact O-N 3.36Å; A234-S236 VanDerWaalsContact C-N 3.31Å; A234-S236 PolarHBondContact O-N 2.93Å; A234-D239 HydrophobicContact CB-CB 3.61Å; A234-V240 HydrophobicContact CB-CG2 3.78Å
235P97.8Very high97.7Very high25 Ų257.9 Ų7.916%0.1625%0.046CC..SBendtrans-65.1-32-178-23.435000113.8V179 L185V179-P235 HydrophobicContact CG1-CG 3.83Å; L185-P235 WeakPolarHBondContact O-CD 3.28Å
236S97Very high97.7Very high4 Ų45 Ų53%0.0283%0.032CC..SBendtrans-139.2165.7-178.171.30000113.3A234 S238 D239 V240 E522A234-S236 VanDerWaalsContact C-N 3.31Å; A234-S236 PolarHBondContact O-N 2.93Å; S236-S238 VanDerWaalsContact C-N 3.31Å; S236-S238 PolarHBondContact O-N 2.58Å; S236-D239 PolarHBondContact N-OD2 3.14Å; S236-D239 PolarHBondContact O-N 3.14Å; S236-D239 PolarHBondContact OG-N 3.43Å; S236-D239 PolarHBondContact OG-OD2 3.44Å; S236-V240 PolarHBondContact O-N 3.02Å; S236-E522 WeakPolarHBondContact CA-OE1 3.47Å
237V97.1Very high97.8Very high1 Ų12.7 Ų2.71%0.0062%0.017CC..Hα-helixtrans-60.7-40.6175-179.40000111.7V206 D239 V240 A241 I486 L515 V518 A519 E522V206-V237 HydrophobicContact CG1-CG2 4.21Å; V206-V237 HydrophobicContact CG2-CG2 4.3Å; V237-D239 VanDerWaalsContact C-N 3.31Å; V237-D239 PolarHBondContact O-N 2.94Å; V237-V240 WeakPolarHBondContact O-CB 3.47Å; V237-V240 PolarHBondContact O-N 3.4Å; V237-A241 PolarHBondContact O-N 2.74Å; V237-I486 HydrophobicContact CG2-CD1 4.39Å; V237-L515 HydrophobicContact CG1-CB 4.1Å; V237-L515 HydrophobicContact CG1-CD2 3.7Å; V237-L515 WeakPolarHBondContact CG1-O 3.39Å; V237-V518 HydrophobicContact CG2-CB 4.3Å; V237-V518 HydrophobicContact CG2-CG1 3.68Å; V237-A519 HydrophobicContact CB-CB 4.11Å; V237-A519 HydrophobicContact CG1-CB 3.85Å; V237-E522 HydrophobicContact CG2-CB 4.24Å; V237-E522 PolarHBondContact N-OE1 2.99Å; V237-E522 PolarHBondContact N-OE2 3.43Å
238S96.1Very high97.7Very high6 Ų62.8 Ų2.84%0.0422%0.018CC..Hα-helixtrans-66-33.9177.2-64.40000112.1S236 A241 C242 L280S236-S238 VanDerWaalsContact C-N 3.31Å; S236-S238 PolarHBondContact O-N 2.58Å; S238-A241 WeakPolarHBondContact O-CB 3.36Å; S238-A241 PolarHBondContact O-N 3.01Å; S238-C242 PolarHBondContact O-N 2.81Å; S238-C242 VanDerWaalsContact O-N 3.08Å; S238-C242 PolarHBondContact O-SG 3.01Å; S238-C242 VanDerWaalsContact O-SG 3.32Å; S238-L280 WeakPolarHBondContact CB-O 3.12Å; S238-L280 PolarHBondContact OG-O 3.41Å
239D97.8Very high97.5Very high0 Ų02.7 Ų2.70%02%0.018CC..Hα-helixtrans-68.7-37.5173.8-62.8-47.3000112S4 C5 I6 A234 S236 V237 A241 C242 V243S4-D239 WeakPolarHBondContact CA-OD1 3.24Å; S4-D239 WeakPolarHBondContact CB-OD1 3.12Å; S4-D239 PolarHBondContact OG-OD1 3.02Å; C5-D239 PolarHBondContact N-OD1 3.41Å; I6-D239 HydrophobicContact CD1-CB 3.89Å; I6-D239 HydrophobicContact CG1-CB 4.21Å; I6-D239 WeakPolarHBondContact CG1-OD1 3.47Å; I6-D239 PolarHBondContact N-OD1 3.27Å; A234-D239 HydrophobicContact CB-CB 3.61Å; S236-D239 PolarHBondContact N-OD2 3.14Å; S236-D239 PolarHBondContact O-N 3.14Å; S236-D239 PolarHBondContact OG-N 3.43Å; S236-D239 PolarHBondContact OG-OD2 3.44Å; V237-D239 VanDerWaalsContact C-N 3.31Å; V237-D239 PolarHBondContact O-N 2.94Å; D239-A241 VanDerWaalsContact C-N 3.29Å; D239-A241 PolarHBondContact O-N 3.34Å; D239-C242 WeakPolarHBondContact O-CB 3.22Å; D239-C242 PolarHBondContact O-N 3.13Å; D239-V243 PolarHBondContact O-N 2.85Å
240V98.4Very high97Very high0 Ų04.2 Ų4.20%03%0.028CC..Hα-helixtrans-59.7-42.6170.11700000110.9V206 L208 I232 A234 S236 V237 C242 V243 L244 L515V206-V240 HydrophobicContact CB-CG2 4.12Å; V206-V240 HydrophobicContact CG1-CG2 3.75Å; L208-V240 HydrophobicContact CB-CG1 3.53Å; L208-V240 HydrophobicContact CD2-CG1 3.52Å; L208-V240 HydrophobicContact CG-CG1 4.14Å; I232-V240 HydrophobicContact CB-CG1 4.37Å; I232-V240 HydrophobicContact CD1-CG1 4.48Å; I232-V240 HydrophobicContact CG2-CB 4.35Å; I232-V240 HydrophobicContact CG2-CG1 4.19Å; I232-V240 HydrophobicContact CG2-CG2 4.11Å; A234-V240 HydrophobicContact CB-CG2 3.78Å; S236-V240 PolarHBondContact O-N 3.02Å; V237-V240 WeakPolarHBondContact O-CB 3.47Å; V237-V240 PolarHBondContact O-N 3.4Å; V240-C242 VanDerWaalsContact C-N 3.33Å; V240-C242 PolarHBondContact O-N 2.92Å; V240-V243 PolarHBondContact O-N 3.05Å; V240-L244 PolarHBondContact O-N 2.8Å; V240-L515 HydrophobicContact CB-CD2 4.49Å; V240-L515 HydrophobicContact CG1-CD2 3.92Å
241A97.2Very high96.4Very high0 Ų010.2 Ų10.20%06%0.064CC..Hα-helixtrans-61.5-38.5177.900000112.2V237 S238 D239 V243 L244 A245 L277 L280 A281V237-A241 PolarHBondContact O-N 2.74Å; S238-A241 WeakPolarHBondContact O-CB 3.36Å; S238-A241 PolarHBondContact O-N 3.01Å; D239-A241 VanDerWaalsContact C-N 3.29Å; D239-A241 PolarHBondContact O-N 3.34Å; A241-V243 PolarHBondContact O-N 2.89Å; A241-L244 PolarHBondContact O-N 2.94Å; A241-A245 VanDerWaalsContact O-CB 3.26Å; A241-A245 WeakPolarHBondContact O-CB 3.3Å; A241-A245 PolarHBondContact O-N 2.9Å; A241-L277 HydrophobicContact CB-CD2 4.2Å; A241-L280 HydrophobicContact CB-CB 3.95Å; A241-A281 HydrophobicContact CB-CB 4.43Å
242C96.7Very high96Very high0 Ų010.4 Ų10.40%07%0.066CC..Hα-helixtrans-57.2-47.6173.8-63.50000112.4I6 M77 S238 D239 V240 S246 A281I6-C242 HydrophobicContact CB-CB 4.18Å; I6-C242 HydrophobicContact CD1-CB 4Å; I6-C242 HydrophobicContact CG2-CB 3.73Å; M77-C242 HydrophobicContact SD-CB 4.16Å; S238-C242 PolarHBondContact O-N 2.81Å; S238-C242 VanDerWaalsContact O-N 3.08Å; S238-C242 PolarHBondContact O-SG 3.01Å; S238-C242 VanDerWaalsContact O-SG 3.32Å; D239-C242 WeakPolarHBondContact O-CB 3.22Å; D239-C242 PolarHBondContact O-N 3.13Å; V240-C242 VanDerWaalsContact C-N 3.33Å; V240-C242 PolarHBondContact O-N 2.92Å; C242-S246 PolarHBondContact O-N 3.3Å; C242-A281 WeakPolarHBondContact SG-CB 3.36Å
243V98.2Very high95.6Very high0 Ų015.2 Ų15.20%09%0.091CC..Hα-helixtrans-68.6-43.5-178.6-179.80000110.8I6 M77 L121 A186 I188 I232 D239 V240 A241 A245 S246 W247I6-V243 HydrophobicContact CD1-CG2 4.23Å; M77-V243 HydrophobicContact CE-CG2 3.99Å; M77-V243 HydrophobicContact SD-CG2 4.13Å; L121-V243 HydrophobicContact CD2-CG1 4.41Å; A186-V243 HydrophobicContact CB-CG2 3.62Å; I188-V243 HydrophobicContact CD1-CG1 3.86Å; I232-V243 HydrophobicContact CB-CG1 4.48Å; I232-V243 HydrophobicContact CD1-CB 3.97Å; I232-V243 HydrophobicContact CD1-CG1 3.74Å; I232-V243 HydrophobicContact CG1-CB 4.31Å; I232-V243 HydrophobicContact CG1-CG1 3.76Å; I232-V243 HydrophobicContact CG2-CB 3.81Å; I232-V243 HydrophobicContact CG2-CG1 3.9Å; I232-V243 HydrophobicContact CG2-CG2 4.09Å; D239-V243 PolarHBondContact O-N 2.85Å; V240-V243 PolarHBondContact O-N 3.05Å; A241-V243 PolarHBondContact O-N 2.89Å; V243-A245 VanDerWaalsContact C-N 3.35Å; V243-A245 PolarHBondContact O-N 2.64Å; V243-S246 WeakPolarHBondContact O-CB 3.36Å; V243-S246 PolarHBondContact O-N 3.41Å; V243-W247 HydrophobicContact CG1-CZ2 4.34Å; V243-W247 PolarHBondContact O-N 3.17Å
244L98.2Very high95.5Very high0 Ų019.1 Ų19.10%011%0.108CC..Hα-helixtrans-65.5-38.4178.7-173.360.7000111.7L208 L214 I232 V240 A241 S246 W247 L248 L277 E511 L515L208-L244 HydrophobicContact CD2-CD2 3.86Å; L214-L244 HydrophobicContact CD2-CD1 4.45Å; I232-L244 HydrophobicContact CD1-CB 3.81Å; I232-L244 HydrophobicContact CD1-CD1 4.26Å; V240-L244 PolarHBondContact O-N 2.8Å; A241-L244 PolarHBondContact O-N 2.94Å; L244-S246 VanDerWaalsContact C-N 3.32Å; L244-S246 PolarHBondContact O-N 3.11Å; L244-W247 HydrophobicContact CD1-CE3 4.38Å; L244-W247 PolarHBondContact O-N 2.62Å; L244-L248 HydrophobicContact CD1-CD1 3.89Å; L244-L248 HydrophobicContact CD1-CG 4.07Å; L244-L248 HydrophobicContact CD2-CD1 4.44Å; L244-L248 HydrophobicContact CG-CD1 3.9Å; L244-L248 HydrophobicContact CG-CG 4.34Å; L244-L248 WeakPolarHBondContact O-CG 3.16Å; L244-L248 PolarHBondContact O-N 2.79Å; L244-L277 HydrophobicContact CB-CD1 4.18Å; L244-L277 HydrophobicContact CB-CD2 4.4Å; L244-L277 HydrophobicContact CD2-CD1 3.89Å; L244-L277 HydrophobicContact CD2-CD2 3.83Å; L244-L277 HydrophobicContact CG-CD1 3.72Å; L244-L277 HydrophobicContact CG-CD2 4.33Å; L244-E511 HydrophobicContact CD2-CB 4.05Å; L244-E511 HydrophobicContact CD2-CG 4.33Å; L244-L515 HydrophobicContact CD2-CD1 4.03Å
245A96.4Very high95.4Very high1 Ų119.1 Ų19.11%0.00811%0.109CC..Hα-helixtrans-59.4-42.7174.400000111.5A241 V243 W247 L248 S249 Y274 L277A241-A245 VanDerWaalsContact O-CB 3.26Å; A241-A245 WeakPolarHBondContact O-CB 3.3Å; A241-A245 PolarHBondContact O-N 2.9Å; V243-A245 VanDerWaalsContact C-N 3.35Å; V243-A245 PolarHBondContact O-N 2.64Å; A245-W247 VanDerWaalsContact C-N 3.31Å; A245-W247 PolarHBondContact O-N 3.24Å; A245-L248 CarbonylContact O-C 3.57Å; A245-L248 PolarHBondContact O-N 3.49Å; A245-S249 PolarHBondContact O-N 2.92Å; A245-Y274 HydrophobicContact CB-CD2 4.12Å; A245-Y274 HydrophobicContact CB-CE2 4.17Å; A245-Y274 VanDerWaalsContact O-CD2 3.28Å; A245-Y274 WeakPolarHBondContact O-CD2 3.48Å; A245-Y274 WeakPolarHBondContact O-CE2 3.47Å; A245-L277 HydrophobicContact CB-CB 3.86Å
246S95.5Very high95.4Very high6 Ų619.6 Ų19.64%0.04211%0.107CC..Hα-helixtrans-60.3-40.3176175.60000112.1S120 S124 C242 V243 L244S120-S246 PolarHBondContact OG-O 2.74Å; S120-S246 VanDerWaalsContact OG-O 3.04Å; S124-S246 WeakPolarHBondContact CB-OG 3.25Å; S124-S246 PolarHBondContact OG-OG 3.26Å; C242-S246 PolarHBondContact O-N 3.3Å; V243-S246 WeakPolarHBondContact O-CB 3.36Å; V243-S246 PolarHBondContact O-N 3.41Å; L244-S246 VanDerWaalsContact C-N 3.32Å; L244-S246 PolarHBondContact O-N 3.11Å
247W97.6Very high95.3Very high0 Ų022.1 Ų22.10%012%0.123CC..Hα-helixtrans-71.6-27.7176.7-70.8-6.1000114.4V117 I188 V215 P230 I232 V243 L244 A245 A255V117-W247 HydrophobicContact CB-CD2 4.36Å; V117-W247 HydrophobicContact CB-CH2 4.35Å; V117-W247 HydrophobicContact CB-CZ2 3.56Å; V117-W247 HydrophobicContact CG1-CD2 3.96Å; V117-W247 HydrophobicContact CG1-CE3 4.33Å; V117-W247 HydrophobicContact CG1-CH2 4.09Å; V117-W247 HydrophobicContact CG1-CZ2 3.71Å; V117-W247 HydrophobicContact CG1-CZ3 4.38Å; V117-W247 HydrophobicContact CG2-CZ2 4.26Å; V117-W247 PolarHBondContact O-NE1 3.18Å; I188-W247 HydrophobicContact CD1-CH2 3.95Å; I188-W247 HydrophobicContact CD1-CZ2 3.36Å; I188-W247 HydrophobicContact CG1-CZ2 4Å; I188-W247 HydrophobicContact CG2-CH2 4.17Å; I188-W247 HydrophobicContact CG2-CZ2 3.98Å; V215-W247 HydrophobicContact CB-CE3 4.45Å; V215-W247 HydrophobicContact CG1-CD2 4.23Å; V215-W247 HydrophobicContact CG1-CE3 3.85Å; V215-W247 HydrophobicContact CG1-CZ3 4.25Å; V215-W247 HydrophobicContact CG2-CE3 3.91Å; V215-W247 HydrophobicContact CG2-CZ3 4.47Å; P230-W247 HydrophobicContact CB-CH2 4.09Å; P230-W247 HydrophobicContact CB-CZ3 4.25Å; I232-W247 HydrophobicContact CD1-CE3 3.88Å; I232-W247 HydrophobicContact CD1-CH2 4.27Å; I232-W247 HydrophobicContact CD1-CZ3 3.69Å; I232-W247 HydrophobicContact CG1-CE3 4.13Å; I232-W247 HydrophobicContact CG1-CH2 3.59Å; I232-W247 HydrophobicContact CG1-CZ2 4.37Å; I232-W247 HydrophobicContact CG1-CZ3 3.45Å; I232-W247 VanDerWaalsContact CG1-CZ3 3.45Å; V243-W247 HydrophobicContact CG1-CZ2 4.34Å; V243-W247 PolarHBondContact O-N 3.17Å; L244-W247 HydrophobicContact CD1-CE3 4.38Å; L244-W247 PolarHBondContact O-N 2.62Å; A245-W247 VanDerWaalsContact C-N 3.31Å; A245-W247 PolarHBondContact O-N 3.24Å; W247-A255 HydrophobicContact CB-CB 3.74Å; W247-A255 HydrophobicContact CG-CB 3.89Å; W247-A255 WeakPolarHBondContact O-CB 3.49Å
248L96.6Very high95.2Very high4 Ų424.8 Ų24.82%0.02115%0.15CC..THydrogen-bonded Turntrans-104.210.4-177.3-59.2-175.6000113.4L214 L244 A245 P250 L270 M273 L277L214-L248 HydrophobicContact CD1-CD1 4.44Å; L214-L248 HydrophobicContact CD1-CD2 4.27Å; L214-L248 HydrophobicContact CD2-CD1 4.09Å; L214-L248 HydrophobicContact CG-CD1 4.45Å; L214-L248 HydrophobicContact CG-CD2 4.11Å; L244-L248 HydrophobicContact CD1-CD1 3.89Å; L244-L248 HydrophobicContact CD1-CG 4.07Å; L244-L248 HydrophobicContact CD2-CD1 4.44Å; L244-L248 HydrophobicContact CG-CD1 3.9Å; L244-L248 HydrophobicContact CG-CG 4.34Å; L244-L248 WeakPolarHBondContact O-CG 3.16Å; L244-L248 PolarHBondContact O-N 2.79Å; A245-L248 CarbonylContact O-C 3.57Å; A245-L248 PolarHBondContact O-N 3.49Å; L248-P250 WeakPolarHBondContact O-CD 3.17Å; L248-L270 HydrophobicContact CD2-CD2 4.49Å; L248-M273 HydrophobicContact CD1-CE 4.12Å; L248-M273 HydrophobicContact CD1-SD 4.44Å; L248-L277 HydrophobicContact CD1-CD1 3.97Å
249S93.6Very high95.2Very high5 Ų525.6 Ų25.64%0.03515%0.154CC..  trans-57.1124.6-179.4175.20000111.7A245 T251 N252A245-S249 PolarHBondContact O-N 2.92Å; S249-T251 PolarHBondContact O-N 2.77Å; S249-T251 VanDerWaalsContact O-N 3.16Å; S249-T251 PolarHBondContact OG-N 3.46Å; S249-T251 PolarHBondContact OG-OG1 2.98Å; S249-T251 VanDerWaalsContact OG-OG1 3.05Å; S249-N252 CarbonylContact O-C 3.52Å; S249-N252 VanDerWaalsContact O-C 3.32Å; S249-N252 PolarHBondContact O-N 3.38Å; S249-N252 VanDerWaalsContact O-N 3.1Å
250P89.4Confident95Very high37 Ų3730.7 Ų30.724%0.2420%0.196CC..THydrogen-bonded Turntrans-61.9-22.1178.4-25.134.9000114L248 T271 Y274L248-P250 WeakPolarHBondContact O-CD 3.17Å; P250-T271 HydrophobicContact CG-CG2 4.28Å; P250-T271 WeakPolarHBondContact CG-OG1 3.19Å; P250-Y274 VanDerWaalsContact CD-CG 3.44Å; P250-Y274 HydrophobicContact CG-CD1 4.14Å; P250-Y274 HydrophobicContact CG-CG 4.22Å
251T86.4Confident94.8Very high125 Ų12534.2 Ų34.277%0.76722%0.218SC*.THydrogen-bonded Turntrans-93.4-12.217957.30000113.1S249S249-T251 PolarHBondContact O-N 2.77Å; S249-T251 VanDerWaalsContact O-N 3.16Å; S249-T251 PolarHBondContact OG-N 3.46Å; S249-T251 PolarHBondContact OG-OG1 2.98Å; S249-T251 VanDerWaalsContact OG-OG1 3.05Å
252N89.3Confident94.7Very high5 Ų534.6 Ų34.63%0.02722%0.22CC..  trans-133.995.7179.917210000110.3S120 H123 S249 F254S120-N252 PolarHBondContact O-ND2 2.94Å; H123-N252 PolarHBondContact CD2-ND2 2.95Å; H123-N252 VanDerWaalsContact CD2-ND2 3.35Å; S249-N252 CarbonylContact O-C 3.52Å; S249-N252 VanDerWaalsContact O-C 3.32Å; S249-N252 PolarHBondContact O-N 3.38Å; S249-N252 VanDerWaalsContact O-N 3.1Å; N252-F254 WeakPolarHBondContact OD1-CD2 3.03Å; N252-F254 PolarHBondContact OD1-N 3.33Å
253N91.7Very high94.6Very high100 Ų10036.2 Ų36.254%0.53523%0.232SC..  trans-91.911.3-176.370.3-3.3000114.6A255 R256 T257N253-A255 VanDerWaalsContact C-N 3.31Å; N253-A255 PolarHBondContact O-N 3.03Å; N253-R256 WeakPolarHBondContact O-CA 3.33Å; N253-R256 PolarHBondContact O-N 2.85Å; N253-T257 HydrophobicContact CB-CG2 4.47Å; N253-T257 WeakPolarHBondContact O-CG2 3.37Å; N253-T257 PolarHBondContact O-N 2.99Å
254F96Very high94.4Very high82 Ų8244.7 Ų44.736%0.3627%0.271SS..G310 helixtrans-52.7-48.4-176.8-76.5-56.7000112A116 H123 N252 R256 T257A116-F254 VanDerWaalsContact CB-O 3.3Å; A116-F254 WeakPolarHBondContact CB-O 3.3Å; H123-F254 HydrophobicContact CB-CD2 3.91Å; H123-F254 HydrophobicContact CB-CE2 3.85Å; H123-F254 AromaticContact CG-CE2 3.79Å; H123-F254 AromaticContact ND1-CE2 3.74Å; N252-F254 WeakPolarHBondContact OD1-CD2 3.03Å; N252-F254 PolarHBondContact OD1-N 3.33Å; F254-R256 PolarHBondContact O-N 3.41Å; F254-T257 PolarHBondContact O-N 3.3Å; F254-T257 VanDerWaalsContact O-N 3.11Å; F254-T257 PolarHBondContact O-OG1 3.11Å
255A97.3Very high94.2Very high1 Ų146.5 Ų46.51%0.00828%0.281CS..G310 helixtrans-70.31.6-18000000114.4V117 V215 S216 W247 N253V117-A255 HydrophobicContact CG1-CB 4.22Å; V215-A255 HydrophobicContact CG1-CB 4.25Å; S216-A255 VanDerWaalsContact CB-O 3.24Å; S216-A255 WeakPolarHBondContact CB-O 3.24Å; S216-A255 PolarHBondContact N-O 2.77Å; W247-A255 HydrophobicContact CB-CB 3.74Å; W247-A255 HydrophobicContact CG-CB 3.89Å; W247-A255 WeakPolarHBondContact O-CB 3.49Å; N253-A255 VanDerWaalsContact C-N 3.31Å; N253-A255 PolarHBondContact O-N 3.03Å
256R96.4Very high94.1Very high34 Ų3450.1 Ų50.113%0.12830%0.304CS..G310 helixtrans-1151.6174.6-65.1-65-57.8-138.9-2.8113.5L214 N253 F254 C262 S263L214-R256 VanDerWaalsContact CD1-NH1 3.32Å; L214-R256 WeakPolarHBondContact O-CD 3.23Å; L214-R256 PolarHBondContact O-NE 3.05Å; L214-R256 PolarHBondContact O-NH1 3.05Å; N253-R256 WeakPolarHBondContact O-CA 3.33Å; N253-R256 PolarHBondContact O-N 2.85Å; F254-R256 PolarHBondContact O-N 3.41Å; R256-C262 PolarHBondContact NE-SG 3.34Å; R256-S263 PolarHBondContact NH2-O 3.39Å
257T95Very high94.1Very high58 Ų5855.8 Ų55.836%0.35633%0.33SS..SBendtrans-114.9165.7-17559.80000112.9S216 N253 F254 D259S216-T257 VanDerWaalsContact CB-O 3.23Å; S216-T257 WeakPolarHBondContact CB-O 2.99Å; S216-T257 PolarHBondContact OG-O 3.32Å; N253-T257 HydrophobicContact CB-CG2 4.47Å; N253-T257 WeakPolarHBondContact O-CG2 3.37Å; N253-T257 PolarHBondContact O-N 2.99Å; F254-T257 PolarHBondContact O-N 3.3Å; F254-T257 VanDerWaalsContact O-N 3.11Å; F254-T257 PolarHBondContact O-OG1 3.11Å; T257-D259 VanDerWaalsContact C-N 3.26Å; T257-D259 PolarHBondContact O-N 3.34Å
258G95.1Very high94Very high57 Ų5759.7 Ų59.759%0.58836%0.357SS*.SBendtrans79.5-2.7177.400000115.8H218H218-G258 PolarHBondContact ND1-O 2.92Å
259D95.8Very high94Very high23 Ų2362 Ų6212%0.12337%0.367CS..  trans-124.2107.8175-179-10.4000109S216 R217 T257 T261 C262S216-D259 VanDerWaalsContact OG-CB 3.26Å; S216-D259 WeakPolarHBondContact OG-CB 3.39Å; R217-D259 IonicContact CZ-OD2 3.25Å; R217-D259 PolarHBondContact N-OD2 2.89Å; R217-D259 VanDerWaalsContact N-OD2 3.15Å; R217-D259 IonicContact NE-OD2 2.87Å; R217-D259 PolarHBondContact NE-OD2 3.04Å; R217-D259 IonicContact NH2-OD1 2.71Å; R217-D259 IonicContact NH2-OD2 2.7Å; R217-D259 PolarHBondContact NH2-OD2 3.14Å; T257-D259 VanDerWaalsContact C-N 3.26Å; T257-D259 PolarHBondContact O-N 3.34Å; D259-T261 PolarHBondContact O-N 2.96Å; D259-T261 VanDerWaalsContact O-N 3.15Å; D259-T261 PolarHBondContact OD1-N 3.02Å; D259-T261 PolarHBondContact OD1-OG1 3.46Å; D259-C262 HydrophobicContact CB-CB 4.34Å; D259-C262 WeakPolarHBondContact O-CB 3.19Å; D259-C262 PolarHBondContact O-N 2.94Å; D259-C262 VanDerWaalsContact O-N 3.14Å
260A93.9Very high94.1Very high107 Ų10763 Ų6388%0.88437%0.372SS*.THydrogen-bonded Turntrans-67.6-10.9-177.200000113.9
261T93.5Very high94.4Very high74 Ų7463.2 Ų63.245%0.45437%0.372SS..THydrogen-bonded Turntrans-100.9-0177.866.80000112.8T213 R217 D259T213-T261 WeakPolarHBondContact CB-O 3.48Å; T213-T261 WeakPolarHBondContact CG2-O 3.3Å; R217-T261 PolarHBondContact NH2-OG1 3.24Å; D259-T261 PolarHBondContact O-N 2.96Å; D259-T261 VanDerWaalsContact O-N 3.15Å; D259-T261 PolarHBondContact OD1-N 3.02Å; D259-T261 PolarHBondContact OD1-OG1 3.46Å
262C95.5Very high94.9Very high7 Ų763.8 Ų63.85%0.04736%0.361CS..SBendtrans-60134.5169.9-169.10000109.7T213 R256 D259 Q264T213-C262 PolarHBondContact O-SG 3.21Å; T213-C262 VanDerWaalsContact O-SG 3.41Å; R256-C262 PolarHBondContact NE-SG 3.34Å; D259-C262 HydrophobicContact CB-CB 4.34Å; D259-C262 WeakPolarHBondContact O-CB 3.19Å; D259-C262 PolarHBondContact O-N 2.94Å; D259-C262 VanDerWaalsContact O-N 3.14Å; C262-Q264 PolarHBondContact O-NE2 3.49Å
263S95.3Very high95.2Very high35 Ų3563.9 Ų63.925%0.24536%0.361CS..  trans-61.9142.9-175.6-860000111.4T213 R256 L265T213-S263 PolarHBondContact O-N 3.36Å; T213-S263 WeakPolarHBondContact OG1-CB 3.26Å; T213-S263 PolarHBondContact OG1-OG 3.2Å; R256-S263 PolarHBondContact NH2-O 3.39Å; S263-L265 PolarHBondContact O-N 3.08Å
264Q93.9Very high95.4Very high178 Ų17860.8 Ų60.883%0.83234%0.342SS*.  trans-88.987.4173.9-60.9-59.6-47.400108.9C262C262-Q264 PolarHBondContact O-NE2 3.49Å
265L94.1Very high95.3Very high37 Ų3760.6 Ų60.619%0.19435%0.345CS..  trans-92.3142.4-179.4-61.8177.3000110.7L214 S263 F269 L270 F509L214-L265 HydrophobicContact CD1-CD1 3.83Å; S263-L265 PolarHBondContact O-N 3.08Å; L265-F269 HydrophobicContact CB-CD1 4.21Å; L265-F269 HydrophobicContact CD1-CD1 4.02Å; L265-F269 HydrophobicContact CD1-CE1 3.94Å; L265-F269 HydrophobicContact CG-CD1 4.48Å; L265-L270 HydrophobicContact CB-CD2 4.37Å; L265-L270 HydrophobicContact CB-CG 4.23Å; L265-L270 HydrophobicContact CD1-CD2 4.11Å; L265-F509 HydrophobicContact CD1-CD1 4Å; L265-F509 HydrophobicContact CD1-CE1 3.94Å; L265-F509 HydrophobicContact CD2-CD1 4.47Å; L265-F509 HydrophobicContact CD2-CE1 4.17Å; L265-F509 HydrophobicContact CD2-CE2 4.25Å; L265-F509 HydrophobicContact CD2-CZ 4.05Å
266P94.7Very high95.2Very high78 Ų7863.4 Ų63.451%0.50636%0.358SS..  trans-57.9141.9176.5-23.933.7000112.2S268 F269 L270P266-S268 PolarHBondContact O-N 3.32Å; P266-F269 HydrophobicContact CB-CB 4.23Å; P266-F269 HydrophobicContact CG-CB 4.49Å; P266-F269 VanDerWaalsContact O-CB 3.32Å; P266-F269 WeakPolarHBondContact O-CB 3.05Å; P266-F269 PolarHBondContact O-N 3.09Å; P266-L270 PolarHBondContact O-N 2.96Å
267H94.2Very high95.2Very high124 Ų12461.8 Ų61.857%0.57435%0.351SS*.Hα-helixtrans-55.8-40.7177.6-176.981.4000112.1F269 L270 T271H267-F269 VanDerWaalsContact C-N 3.26Å; H267-F269 PolarHBondContact O-N 3.15Å; H267-L270 PolarHBondContact O-N 2.67Å; H267-T271 PolarHBondContact O-N 2.95Å; H267-T271 PolarHBondContact O-OG1 3.12Å; H267-T271 VanDerWaalsContact O-OG1 3.04Å
268S96.4Very high95.1Very high82 Ų8261.2 Ų61.257%0.57335%0.345SS*.Hα-helixtrans-61.7-31.7176.2550000113.7P266 R272P266-S268 PolarHBondContact O-N 3.32Å; S268-R272 WeakPolarHBondContact O-CB 3.35Å; S268-R272 PolarHBondContact O-N 3.13Å
269F95.8Very high95Very high53 Ų5360.9 Ų60.923%0.23233%0.33CS..Hα-helixtrans-70.6-47.4175.7-178.8-94.3000110.8L265 P266 H267 T271 R272 M273 F509L265-F269 HydrophobicContact CB-CD1 4.21Å; L265-F269 HydrophobicContact CD1-CD1 4.02Å; L265-F269 HydrophobicContact CD1-CE1 3.94Å; L265-F269 HydrophobicContact CG-CD1 4.48Å; P266-F269 HydrophobicContact CB-CB 4.23Å; P266-F269 HydrophobicContact CG-CB 4.49Å; P266-F269 VanDerWaalsContact O-CB 3.32Å; P266-F269 WeakPolarHBondContact O-CB 3.05Å; P266-F269 PolarHBondContact O-N 3.09Å; H267-F269 VanDerWaalsContact C-N 3.26Å; H267-F269 PolarHBondContact O-N 3.15Å; F269-T271 PolarHBondContact O-N 2.99Å; F269-R272 PolarHBondContact O-N 3.45Å; F269-M273 HydrophobicContact CD1-CG 4.32Å; F269-M273 HydrophobicContact CD1-SD 3.91Å; F269-M273 HydrophobicContact CE1-CG 3.94Å; F269-M273 HydrophobicContact CE1-SD 3.22Å; F269-M273 WeakPolarHBondContact CE1-SD 3.39Å; F269-M273 HydrophobicContact CZ-CG 4.19Å; F269-M273 HydrophobicContact CZ-SD 3.77Å; F269-M273 PolarHBondContact O-N 2.86Å; F269-F509 HydrophobicContact CE1-CB 4.17Å; F269-F509 HydrophobicContact CZ-CB 3.81Å
270L95.7Very high94.9Very high26 Ų2659.9 Ų59.914%0.13632%0.324CS..Hα-helixtrans-62.4-42.7177.1-69172.7000112.2L248 L265 P266 H267 R272 M273 Y274L248-L270 HydrophobicContact CD2-CD2 4.49Å; L265-L270 HydrophobicContact CB-CD2 4.37Å; L265-L270 HydrophobicContact CB-CG 4.23Å; L265-L270 HydrophobicContact CD1-CD2 4.11Å; P266-L270 PolarHBondContact O-N 2.96Å; H267-L270 PolarHBondContact O-N 2.67Å; L270-R272 VanDerWaalsContact C-N 3.3Å; L270-R272 PolarHBondContact O-N 2.89Å; L270-M273 PolarHBondContact O-N 3.32Å; L270-Y274 WeakPolarHBondContact O-CB 3.16Å; L270-Y274 PolarHBondContact O-N 3.22Å
271T96.4Very high94.9Very high41 Ų4154.8 Ų54.825%0.25228%0.282SS..Hα-helixtrans-61.2-39.1175.9-58.20000112.1P250 H267 F269 N275P250-T271 HydrophobicContact CG-CG2 4.28Å; P250-T271 WeakPolarHBondContact CG-OG1 3.19Å; H267-T271 PolarHBondContact O-N 2.95Å; H267-T271 PolarHBondContact O-OG1 3.12Å; H267-T271 VanDerWaalsContact O-OG1 3.04Å; F269-T271 PolarHBondContact O-N 2.99Å; T271-N275 VanDerWaalsContact O-CG 3.25Å; T271-N275 PolarHBondContact O-N 2.87Å; T271-N275 VanDerWaalsContact O-N 3.1Å; T271-N275 PolarHBondContact O-ND2 3.17Å
272R96.1Very high94.8Very high138 Ų13855.1 Ų55.152%0.52128%0.277SS..Hα-helixtrans-64.7-51.1175.5-168.1-166.4-53.8147.75.4111.6S268 F269 L270 Y274 N275 E276S268-R272 WeakPolarHBondContact O-CB 3.35Å; S268-R272 PolarHBondContact O-N 3.13Å; F269-R272 PolarHBondContact O-N 3.45Å; L270-R272 VanDerWaalsContact C-N 3.3Å; L270-R272 PolarHBondContact O-N 2.89Å; R272-Y274 VanDerWaalsContact C-N 3.27Å; R272-Y274 PolarHBondContact O-N 2.86Å; R272-N275 PolarHBondContact O-N 2.83Å; R272-E276 WeakPolarHBondContact CD-OE1 3.43Å; R272-E276 VanDerWaalsContact CG-OE1 3.28Å; R272-E276 WeakPolarHBondContact CG-OE1 3.23Å; R272-E276 WeakPolarHBondContact O-CG 3.19Å; R272-E276 PolarHBondContact O-N 3.41Å
273M96Very high94.2Very high6 Ų655.8 Ų55.83%0.0329%0.286CS..Hα-helixtrans-56.4-44176.7-70.5-172.380.700111.6L214 L248 F269 L270 N275 E276 L277 E511L214-M273 HydrophobicContact CD1-CE 4.48Å; L214-M273 HydrophobicContact CD1-SD 4.43Å; L214-M273 HydrophobicContact CD2-CE 4.49Å; L248-M273 HydrophobicContact CD1-CE 4.12Å; L248-M273 HydrophobicContact CD1-SD 4.44Å; F269-M273 HydrophobicContact CD1-CG 4.32Å; F269-M273 HydrophobicContact CD1-SD 3.91Å; F269-M273 HydrophobicContact CE1-CG 3.94Å; F269-M273 HydrophobicContact CE1-SD 3.22Å; F269-M273 WeakPolarHBondContact CE1-SD 3.39Å; F269-M273 HydrophobicContact CZ-CG 4.19Å; F269-M273 HydrophobicContact CZ-SD 3.77Å; F269-M273 PolarHBondContact O-N 2.86Å; L270-M273 PolarHBondContact O-N 3.32Å; M273-N275 VanDerWaalsContact C-N 3.35Å; M273-N275 PolarHBondContact O-N 2.88Å; M273-E276 PolarHBondContact O-N 3.16Å; M273-L277 WeakPolarHBondContact O-CB 3.39Å; M273-L277 WeakPolarHBondContact O-CD1 3.38Å; M273-L277 WeakPolarHBondContact O-CG 3.44Å; M273-L277 PolarHBondContact O-N 3.44Å; M273-E511 HydrophobicContact CE-CB 4.18Å
274Y96Very high93.4Very high36 Ų3657.5 Ų57.514%0.14129%0.292CS..Hα-helixtrans-58.2-45.7178.1175.1-108.6000112.3A245 P250 L270 R272 L277 Q278A245-Y274 HydrophobicContact CB-CD2 4.12Å; A245-Y274 HydrophobicContact CB-CE2 4.17Å; A245-Y274 VanDerWaalsContact O-CD2 3.28Å; A245-Y274 WeakPolarHBondContact O-CD2 3.48Å; A245-Y274 WeakPolarHBondContact O-CE2 3.47Å; P250-Y274 VanDerWaalsContact CD-CG 3.44Å; P250-Y274 HydrophobicContact CG-CD1 4.14Å; P250-Y274 HydrophobicContact CG-CG 4.22Å; L270-Y274 WeakPolarHBondContact O-CB 3.16Å; L270-Y274 PolarHBondContact O-N 3.22Å; R272-Y274 VanDerWaalsContact C-N 3.27Å; R272-Y274 PolarHBondContact O-N 2.86Å; Y274-L277 PolarHBondContact O-N 2.86Å; Y274-Q278 HydrophobicContact CE1-CG 4.33Å; Y274-Q278 HydrophobicContact CE2-CG 4.39Å; Y274-Q278 WeakPolarHBondContact O-CG 3.26Å; Y274-Q278 PolarHBondContact O-N 3.34Å; Y274-Q278 PolarHBondContact OH-NE2 3.21Å
275N95.1Very high92.3Very high78 Ų7850 Ų5042%0.41726%0.258SS..Hα-helixtrans-64.6-46.3177.8-66.8-16.5000111.7T271 R272 M273 L277 Q278 D279T271-N275 VanDerWaalsContact O-CG 3.25Å; T271-N275 PolarHBondContact O-N 2.87Å; T271-N275 VanDerWaalsContact O-N 3.1Å; T271-N275 PolarHBondContact O-ND2 3.17Å; R272-N275 PolarHBondContact O-N 2.83Å; M273-N275 VanDerWaalsContact C-N 3.35Å; M273-N275 PolarHBondContact O-N 2.88Å; N275-L277 VanDerWaalsContact C-N 3.28Å; N275-L277 PolarHBondContact O-N 3.48Å; N275-Q278 WeakPolarHBondContact O-CB 3.33Å; N275-Q278 PolarHBondContact O-N 2.82Å; N275-Q278 VanDerWaalsContact O-N 3.09Å; N275-D279 PolarHBondContact O-N 3.31Å
276E95.1Very high91Very high59 Ų5955.6 Ų55.628%0.27629%0.288SS..Hα-helixtrans-58.5-40.3176.3-69.9173.1-154.500111.6R272 M273 D279 L280 C512R272-E276 WeakPolarHBondContact CD-OE1 3.43Å; R272-E276 VanDerWaalsContact CG-OE1 3.28Å; R272-E276 WeakPolarHBondContact CG-OE1 3.23Å; R272-E276 WeakPolarHBondContact O-CG 3.19Å; R272-E276 PolarHBondContact O-N 3.41Å; M273-E276 PolarHBondContact O-N 3.16Å; E276-D279 PolarHBondContact O-N 3.25Å; E276-L280 WeakPolarHBondContact O-CG 3.23Å; E276-L280 PolarHBondContact O-N 3.24Å; E276-C512 HydrophobicContact CB-CB 4Å; E276-C512 WeakPolarHBondContact OE2-CB 3.35Å
277L95.5Very high89.1Confident0 Ų054.1 Ų54.10%028%0.279CS..Hα-helixtrans-68.4-35175.9-68.7166.5000112.8A241 L244 A245 L248 M273 Y274 N275 D279 A281 L515A241-L277 HydrophobicContact CB-CD2 4.2Å; L244-L277 HydrophobicContact CB-CD1 4.18Å; L244-L277 HydrophobicContact CB-CD2 4.4Å; L244-L277 HydrophobicContact CD2-CD1 3.89Å; L244-L277 HydrophobicContact CD2-CD2 3.83Å; L244-L277 HydrophobicContact CG-CD1 3.72Å; L244-L277 HydrophobicContact CG-CD2 4.33Å; A245-L277 HydrophobicContact CB-CB 3.86Å; L248-L277 HydrophobicContact CD1-CD1 3.97Å; M273-L277 WeakPolarHBondContact O-CB 3.39Å; M273-L277 WeakPolarHBondContact O-CD1 3.38Å; M273-L277 WeakPolarHBondContact O-CG 3.44Å; M273-L277 PolarHBondContact O-N 3.44Å; Y274-L277 PolarHBondContact O-N 2.86Å; N275-L277 VanDerWaalsContact C-N 3.28Å; N275-L277 PolarHBondContact O-N 3.48Å; L277-D279 VanDerWaalsContact C-N 3.32Å; L277-A281 VanDerWaalsContact O-CB 3.26Å; L277-A281 WeakPolarHBondContact O-CB 3.43Å; L277-A281 PolarHBondContact O-N 2.96Å; L277-L515 HydrophobicContact CD2-CD1 3.51Å
278Q93.8Very high87.1Confident47 Ų4749.4 Ų49.422%0.2226%0.259CS..Hα-helixtrans-64.9-37.7173.5-74.9-161.5300112.2L76 Y274 N275 A281 K282L76-Q278 HydrophobicContact CD1-CG 4.45Å; Y274-Q278 HydrophobicContact CE1-CG 4.33Å; Y274-Q278 HydrophobicContact CE2-CG 4.39Å; Y274-Q278 WeakPolarHBondContact O-CG 3.26Å; Y274-Q278 PolarHBondContact O-N 3.34Å; Y274-Q278 PolarHBondContact OH-NE2 3.21Å; N275-Q278 WeakPolarHBondContact O-CB 3.33Å; N275-Q278 PolarHBondContact O-N 2.82Å; N275-Q278 VanDerWaalsContact O-N 3.09Å; Q278-A281 WeakPolarHBondContact O-CB 3.38Å; Q278-A281 PolarHBondContact O-N 2.88Å; Q278-K282 WeakPolarHBondContact O-CD 3.36Å; Q278-K282 VanDerWaalsContact O-CG 3.29Å; Q278-K282 WeakPolarHBondContact O-CG 3.29Å; Q278-K282 PolarHBondContact O-N 3.38Å; Q278-K282 VanDerWaalsContact O-N 3.15Å
279D93Very high85.1Confident50 Ų5049.2 Ų49.227%0.26726%0.258SS..Hα-helixtrans-71.3-42.3179.4-65.1-21.9000110.5N275 E276 L277 A281 K282 G283 D284N275-D279 PolarHBondContact O-N 3.31Å; E276-D279 PolarHBondContact O-N 3.25Å; L277-D279 VanDerWaalsContact C-N 3.32Å; D279-A281 VanDerWaalsContact C-N 3.32Å; D279-A281 PolarHBondContact O-N 3.47Å; D279-K282 PolarHBondContact O-N 3.02Å; D279-K282 VanDerWaalsContact O-N 3.14Å; D279-K282 IonicContact OD1-NZ 2.7Å; D279-K282 PolarHBondContact OD1-NZ 3.47Å; D279-G283 PolarHBondContact O-N 3.42Å; D279-D284 HydrophobicContact CB-CB 4.35Å; D279-D284 PolarHBondContact O-N 2.69Å
280L93.3Very high82.8Confident2 Ų257.2 Ų57.21%0.0129%0.292CS..Hα-helixtrans-59.7-39.2170.4-71.5171.7000113S238 A241 E276 K282 G283 L285 L515S238-L280 WeakPolarHBondContact CB-O 3.12Å; S238-L280 PolarHBondContact OG-O 3.41Å; A241-L280 HydrophobicContact CB-CB 3.95Å; E276-L280 WeakPolarHBondContact O-CG 3.23Å; E276-L280 PolarHBondContact O-N 3.24Å; L280-K282 VanDerWaalsContact C-N 3.3Å; L280-K282 PolarHBondContact O-N 3.01Å; L280-G283 PolarHBondContact O-N 3.11Å; L280-L285 HydrophobicContact CD2-CD2 4.2Å; L280-L515 HydrophobicContact CD1-CB 3.91Å
281A93.3Very high81Confident0 Ų060.8 Ų60.80%031%0.312CS..Hα-helixtrans-62.3-35.8175.800000112.7S4 L76 A241 C242 L277 Q278 D279 G283S4-A281 VanDerWaalsContact CB-O 3.28Å; S4-A281 WeakPolarHBondContact CB-O 3.45Å; L76-A281 HydrophobicContact CD1-CB 4.12Å; A241-A281 HydrophobicContact CB-CB 4.43Å; C242-A281 WeakPolarHBondContact SG-CB 3.36Å; L277-A281 VanDerWaalsContact O-CB 3.26Å; L277-A281 WeakPolarHBondContact O-CB 3.43Å; L277-A281 PolarHBondContact O-N 2.96Å; Q278-A281 WeakPolarHBondContact O-CB 3.38Å; Q278-A281 PolarHBondContact O-N 2.88Å; D279-A281 VanDerWaalsContact C-N 3.32Å; D279-A281 PolarHBondContact O-N 3.47Å; A281-G283 PolarHBondContact O-N 3.03Å
282K90.8Very high79.8Confident80 Ų8062.5 Ų62.535%0.34833%0.33SS..Hα-helixtrans-75.5-11.5175.1-66.2162-164.2159.30112.8Y7 Q278 D279 L280Y7-K282 HydrophobicContact CD2-CG 4.05Å; Y7-K282 HydrophobicContact CE1-CG 4.49Å; Y7-K282 HydrophobicContact CE2-CB 4.42Å; Y7-K282 HydrophobicContact CE2-CG 3.49Å; Y7-K282 VanDerWaalsContact CE2-CG 3.49Å; Q278-K282 WeakPolarHBondContact O-CD 3.36Å; Q278-K282 VanDerWaalsContact O-CG 3.29Å; Q278-K282 WeakPolarHBondContact O-CG 3.29Å; Q278-K282 PolarHBondContact O-N 3.38Å; Q278-K282 VanDerWaalsContact O-N 3.15Å; D279-K282 PolarHBondContact O-N 3.02Å; D279-K282 VanDerWaalsContact O-N 3.14Å; D279-K282 IonicContact OD1-NZ 2.7Å; D279-K282 PolarHBondContact OD1-NZ 3.47Å; L280-K282 VanDerWaalsContact C-N 3.3Å; L280-K282 PolarHBondContact O-N 3.01Å
283G84.2Confident79.4Confident22 Ų2260.1 Ų60.123%0.22733%0.332CS..THydrogen-bonded Turntrans83.820.8-17500000113.8D279 L280 A281 L285D279-G283 PolarHBondContact O-N 3.42Å; L280-G283 PolarHBondContact O-N 3.11Å; A281-G283 PolarHBondContact O-N 3.03Å; G283-L285 PolarHBondContact O-N 2.85Å
284D78.4Confident79.3Confident70 Ų7061.9 Ų61.937%0.37434%0.342SS..  trans-84.895.9174.2-172.9-8.8000110.5D279 D286 S287D279-D284 HydrophobicContact CB-CB 4.35Å; D279-D284 PolarHBondContact O-N 2.69Å; D284-D286 PolarHBondContact OD1-N 3.38Å; D284-D286 VanDerWaalsContact OD1-N 3.08Å; D284-S287 PolarHBondContact O-OG 2.83Å; D284-S287 PolarHBondContact OD1-N 3.22Å
285L71Confident79.4Confident22 Ų2264.2 Ų64.212%0.11535%0.35CS..SBendtrans-83.8-11.5179.6-60.3177.9000113.7M1 L280 G283 A519 K520M1-L285 HydrophobicContact CE-CD1 3.97Å; M1-L285 HydrophobicContact SD-CD1 4.09Å; L280-L285 HydrophobicContact CD2-CD2 4.2Å; G283-L285 PolarHBondContact O-N 2.85Å; L285-A519 HydrophobicContact CD2-CB 3.49Å; L285-A519 VanDerWaalsContact CD2-CB 3.49Å; L285-K520 HydrophobicContact CD1-CG 4.31Å
286D67.1Low79.6Confident154 Ų15460.5 Ų60.582%0.82433%0.331SS*.SBendtrans-88.5-14.5-178.5-70.6-25.8000111.9D284 T288D284-D286 PolarHBondContact OD1-N 3.38Å; D284-D286 VanDerWaalsContact OD1-N 3.08Å; D286-T288 VanDerWaalsContact C-N 3.31Å; D286-T288 PolarHBondContact O-N 2.89Å
287S53.7Low79.7Confident46 Ų4657.7 Ų57.732%0.32232%0.317SS..SBendtrans-63.9-28.2-179.964.40000114.2D284D284-S287 PolarHBondContact O-OG 2.83Å; D284-S287 PolarHBondContact OD1-N 3.22Å
288T53.4Low79.9Confident25 Ų2558.3 Ų58.315%0.15332%0.32CS..SBendtrans-82.1124.5175.357.40000110.2D286 S516D286-T288 VanDerWaalsContact C-N 3.31Å; D286-T288 PolarHBondContact O-N 2.89Å; T288-S516 PolarHBondContact OG1-OG 3.1Å
289S52.4Low80.1Confident78 Ų7856 Ų5655%0.54531%0.31SS..  trans-35.8141.9-172.836.80000115.9D291S289-D291 PolarHBondContact O-N 3.26Å; S289-D291 PolarHBondContact OG-OD2 2.55Å
290K49.1Very low80.3Confident221 Ų22157.2 Ų57.296%0.96132%0.316SS*.  trans-64.565.6167.9-70-177.8176.9179.50111.1
291D57.3Low80.5Confident101 Ų10158.7 Ų58.754%0.5432%0.323SS..PPolyproline II helixtrans-77.8162.2178.9-71.7-44.1000111.7S289S289-D291 PolarHBondContact O-N 3.26Å; S289-D291 PolarHBondContact OG-OD2 2.55Å
292A72.1Confident80.7Confident78 Ų7858.8 Ų58.865%0.64532%0.323SS*.SBendtrans-47155.7168.300000111.6L294A292-L294 PolarHBondContact O-N 3.24Å; A292-L294 VanDerWaalsContact O-N 3.11Å
293P85.9Confident81Confident87 Ų8759.2 Ų59.257%0.56533%0.326SS*.PPolyproline II helixtrans-53.1121.9176.223.6-35.5000110.9S327P293-S327 WeakPolarHBondContact CB-O 3.14Å
294L95Very high81.5Confident44 Ų4459.1 Ų59.123%0.2332%0.321CS..PPolyproline II helixtrans-64.4145.4179.3-68173.2000110.3A292 C328 S329 D442 F443 L517A292-L294 PolarHBondContact O-N 3.24Å; A292-L294 VanDerWaalsContact O-N 3.11Å; L294-C328 CarbonylContact O-C 3.52Å; L294-C328 WeakPolarHBondContact O-CA 3.3Å; L294-C328 VanDerWaalsContact O-CB 3.24Å; L294-C328 WeakPolarHBondContact O-CB 3.24Å; L294-S329 PolarHBondContact O-N 2.96Å; L294-D442 HydrophobicContact CD2-CB 4.17Å; L294-F443 HydrophobicContact CD1-CD2 4.33Å; L294-F443 HydrophobicContact CD1-CE2 4.06Å; L294-F443 HydrophobicContact CD2-CE2 4.33Å; L294-L517 HydrophobicContact CD1-CD1 4.42Å; L294-L517 HydrophobicContact CD1-CD2 3.95Å
295R97.6Very high82.1Confident85 Ų8562 Ų6232%0.32134%0.343SS..EExtended strand (participates in β ladder)trans-99.9124.4178-58.9168.2-62.6159.64.6109.2S329 E439 S440 V441 D442 F443R295-S329 CarbonylContact C-O 3.58Å; R295-S329 VanDerWaalsContact CA-O 3.31Å; R295-S329 WeakPolarHBondContact CA-O 3.48Å; R295-E439 PolarHBondContact NH1-O 2.88Å; R295-S440 WeakPolarHBondContact CD-O 3.43Å; R295-S440 VanDerWaalsContact NH1-C 3.33Å; R295-S440 PolarHBondContact NH1-O 2.8Å; R295-V441 HydrophobicContact CB-CB 4.34Å; R295-V441 HydrophobicContact CB-CG1 4.35Å; R295-D442 WeakPolarHBondContact CB-OD2 3.45Å; R295-D442 IonicContact CZ-OD1 2.65Å; R295-D442 PolarHBondContact N-OD2 2.92Å; R295-D442 IonicContact NE-OD1 3.7Å; R295-D442 IonicContact NE-OD2 3.43Å; R295-D442 PolarHBondContact NE-OD2 2.72Å; R295-D442 IonicContact NH2-OD1 3.26Å; R295-D442 PolarHBondContact NH2-OD1 3.37Å; R295-D442 IonicContact NH2-OD2 3.58Å; R295-D442 PolarHBondContact O-N 3.05Å; R295-F443 PolarHBondContact O-N 3.19Å
296I98.6Very high83.2Confident0 Ų064 Ų640%037%0.369CS..EExtended strand (participates in β ladder)trans-112.8126.3-178-49.2-61.5000109.4L322 C328 S329 V330 Q331 F443 L445 L517I296-L322 HydrophobicContact CD1-CD2 4.44Å; I296-L322 HydrophobicContact CG1-CD1 4.19Å; I296-L322 HydrophobicContact CG1-CD2 4.26Å; I296-L322 HydrophobicContact CG2-CD1 4.04Å; I296-C328 HydrophobicContact CG1-CB 3.88Å; I296-S329 PolarHBondContact N-O 3.02Å; I296-V330 HydrophobicContact CB-CG2 4.31Å; I296-V330 WeakPolarHBondContact O-CA 3.48Å; I296-Q331 PolarHBondContact O-N 3.24Å; I296-F443 CarbonylContact C-O 3.43Å; I296-F443 WeakPolarHBondContact CA-O 3.42Å; I296-F443 HydrophobicContact CD1-CB 3.91Å; I296-F443 HydrophobicContact CD1-CD2 4.35Å; I296-L445 HydrophobicContact CG2-CB 3.88Å; I296-L517 HydrophobicContact CD1-CD2 3.77Å
297G98.7Very high84.6Confident0 Ų058.2 Ų58.20%034%0.338CS..EExtended strand (participates in β ladder)trans-90.1136.4173.100000112.4Q331 F443 I444 L445G297-Q331 CarbonylContact C-O 3.54Å; G297-Q331 WeakPolarHBondContact CA-O 3.42Å; G297-F443 PolarHBondContact N-O 2.86Å; G297-I444 CarbonylContact O-C 3.54Å; G297-I444 WeakPolarHBondContact O-CA 3.11Å; G297-I444 WeakPolarHBondContact O-CG2 3.44Å; G297-L445 PolarHBondContact O-N 3.07Å
298I98.7Very high86.7Confident12 Ų1259 Ų596%0.06234%0.337CS..EExtended strand (participates in β ladder)trans-112.3105.4169.5-55.9-59.6000107.8L300 W315 A319 V330 Q331 L332 V333 L445I298-L300 PolarHBondContact O-N 3.11Å; I298-W315 HydrophobicContact CG2-CH2 4Å; I298-W315 HydrophobicContact CG2-CZ2 3.53Å; I298-A319 HydrophobicContact CD1-CB 4.2Å; I298-V330 HydrophobicContact CD1-CG1 4.11Å; I298-V330 HydrophobicContact CG1-CG1 3.61Å; I298-Q331 PolarHBondContact N-O 3.1Å; I298-L332 HydrophobicContact CB-CD2 4.07Å; I298-L332 HydrophobicContact CG2-CD2 4.01Å; I298-L332 WeakPolarHBondContact O-CA 3.36Å; I298-V333 PolarHBondContact O-N 3.16Å; I298-L445 HydrophobicContact CD1-CB 3.85Å; I298-L445 HydrophobicContact CD1-CD2 4.12Å; I298-L445 HydrophobicContact CD1-CG 4.4Å
299P98.3Very high88.8Confident0 Ų066 Ų660%037%0.368CS..EExtended strand (participates in β ladder)trans-75124.4-173.725.7-30.6000111.6E301 Y302 V333 L335 I444 L445 T446P299-E301 VanDerWaalsContact C-N 3.28Å; P299-E301 PolarHBondContact O-N 3.45Å; P299-Y302 HydrophobicContact CB-CD1 4.1Å; P299-Y302 HydrophobicContact CB-CG 4.33Å; P299-Y302 HydrophobicContact CG-CD1 3.98Å; P299-Y302 HydrophobicContact CG-CD2 4.13Å; P299-Y302 HydrophobicContact CG-CG 3.77Å; P299-Y302 PolarHBondContact O-N 2.94Å; P299-V333 WeakPolarHBondContact CA-O 3.43Å; P299-V333 HydrophobicContact CB-CG2 4.19Å; P299-L335 HydrophobicContact CB-CD1 3.75Å; P299-L335 HydrophobicContact CB-CG 4.27Å; P299-L335 HydrophobicContact CG-CD1 4.36Å; P299-I444 HydrophobicContact CG-CG2 3.77Å; P299-L445 WeakPolarHBondContact CD-O 3.31Å; P299-T446 HydrophobicContact CG-CG2 3.52Å
300L97.9Very high91Very high75 Ų7563.9 Ų63.939%0.39335%0.349SS..G310 helixtrans-58-42179.6-71.1177.9000112.2I298 Y302 H303 L332 V333 R334I298-L300 PolarHBondContact O-N 3.11Å; L300-Y302 PolarHBondContact O-N 3.23Å; L300-Y302 VanDerWaalsContact O-N 3.08Å; L300-H303 PolarHBondContact O-N 3.09Å; L300-H303 PolarHBondContact O-ND1 3.45Å; L300-H303 VanDerWaalsContact O-ND1 3.13Å; L300-L332 HydrophobicContact CD2-CB 4.3Å; L300-L332 HydrophobicContact CD2-CD1 4.08Å; L300-L332 HydrophobicContact CD2-CD2 3.94Å; L300-L332 HydrophobicContact CD2-CG 4.32Å; L300-V333 PolarHBondContact N-O 3.46Å; L300-R334 HydrophobicContact CD1-CG 4.12Å
301E97.7Very high93.3Very high33 Ų3353.7 Ų53.715%0.15431%0.305CS..G310 helixtrans-66.8-10.2-175.3-66.679-172.700113.9P299 R334 L335 T338 P339P299-E301 VanDerWaalsContact C-N 3.28Å; P299-E301 PolarHBondContact O-N 3.45Å; E301-R334 IonicContact OE1-CZ 3.91Å; E301-R334 IonicContact OE1-NE 3.39Å; E301-R334 PolarHBondContact OE1-NE 3.12Å; E301-R334 IonicContact OE1-NH2 3.48Å; E301-R334 PolarHBondContact OE1-NH2 2.94Å; E301-R334 WeakPolarHBondContact OE2-CA 3.36Å; E301-L335 PolarHBondContact OE2-N 3.3Å; E301-T338 WeakPolarHBondContact CB-OG1 3.39Å; E301-P339 HydrophobicContact CB-CG 4.25Å; E301-P339 HydrophobicContact CG-CG 4.31Å
302Y97.6Very high95.2Very high2 Ų250.3 Ų50.31%0.00829%0.289CS..G310 helixtrans-90.2-1178.7-79.840.5000113.2P299 L300 V304 L335 T338 T446 C474P299-Y302 HydrophobicContact CB-CD1 4.1Å; P299-Y302 HydrophobicContact CB-CG 4.33Å; P299-Y302 HydrophobicContact CG-CD1 3.98Å; P299-Y302 HydrophobicContact CG-CD2 4.13Å; P299-Y302 HydrophobicContact CG-CG 3.77Å; P299-Y302 PolarHBondContact O-N 2.94Å; L300-Y302 PolarHBondContact O-N 3.23Å; L300-Y302 VanDerWaalsContact O-N 3.08Å; Y302-V304 PolarHBondContact O-N 3.47Å; Y302-L335 HydrophobicContact CE1-CD1 4.35Å; Y302-T338 HydrophobicContact CE1-CG2 4.09Å; Y302-T446 HydrophobicContact CD2-CG2 3.46Å; Y302-T446 VanDerWaalsContact CD2-CG2 3.46Å; Y302-T446 HydrophobicContact CE2-CG2 3.52Å; Y302-T446 HydrophobicContact CG-CG2 4.31Å; Y302-C474 HydrophobicContact CD2-CB 3.82Å; Y302-C474 HydrophobicContact CE2-CB 3.73Å; Y302-C474 VanDerWaalsContact CE2-O 3.26Å; Y302-C474 WeakPolarHBondContact CE2-O 3.11Å; Y302-C474 PolarHBondContact OH-O 2.93Å
303H96.8Very high96.5Very high89 Ų8949.9 Ų49.941%0.41228%0.281SS..SBendtrans-7564.9161-63.280.1000109.3L300 W315L300-H303 PolarHBondContact O-N 3.09Å; L300-H303 PolarHBondContact O-ND1 3.45Å; L300-H303 VanDerWaalsContact O-ND1 3.13Å; H303-W315 AromaticContact CE1-CH2 3.7Å; H303-W315 AromaticContact CE1-CZ3 3.52Å; H303-W315 AromaticContact ND1-CZ3 3.88Å; H303-W315 AromaticContact NE2-CZ3 3.64Å
304V93.8Very high97.1Very high20 Ų2047.3 Ų47.312%0.12126%0.262CS..  trans-76154.2-172.5-64.30000111.8Y302 G306 L307 P450 V473Y302-V304 PolarHBondContact O-N 3.47Å; V304-G306 PolarHBondContact O-N 2.84Å; V304-L307 HydrophobicContact CG2-CB 4.27Å; V304-L307 VanDerWaalsContact O-CB 3.31Å; V304-L307 WeakPolarHBondContact O-CB 3.41Å; V304-L307 PolarHBondContact O-N 2.87Å; V304-L307 VanDerWaalsContact O-N 3.12Å; V304-P450 HydrophobicContact CG2-CB 3.74Å; V304-P450 HydrophobicContact CG2-CG 4.5Å; V304-V473 HydrophobicContact CB-CG1 4.43Å; V304-V473 HydrophobicContact CG1-CG1 4.16Å; V304-V473 HydrophobicContact CG1-CG2 3.87Å; V304-V473 HydrophobicContact CG2-CG1 4Å
305P92Very high97.2Very high129 Ų12945.2 Ų45.284%0.83825%0.251SS*.THydrogen-bonded Turntrans-55.8131.3170.3-2434.4000111.3
306G93.3Very high97.2Very high64 Ų6445.7 Ų45.766%0.6626%0.26SS*.THydrogen-bonded Turntrans87.9-0.8-178.400000114.9V304 Q308V304-G306 PolarHBondContact O-N 2.84Å; G306-Q308 PolarHBondContact O-N 2.82Å; G306-Q308 VanDerWaalsContact O-N 3.1Å
307L97.3Very high97.2Very high33 Ų3348.4 Ų48.417%0.17328%0.277CS..  trans-56.7115.4170.3179.862.7000109.9V304 I311 C312 W315 P447 P450V304-L307 HydrophobicContact CG2-CB 4.27Å; V304-L307 VanDerWaalsContact O-CB 3.31Å; V304-L307 WeakPolarHBondContact O-CB 3.41Å; V304-L307 PolarHBondContact O-N 2.87Å; V304-L307 VanDerWaalsContact O-N 3.12Å; L307-I311 HydrophobicContact CD1-CB 4.12Å; L307-I311 HydrophobicContact CD1-CG2 3.82Å; L307-C312 HydrophobicContact CD2-CB 4.12Å; L307-C312 HydrophobicContact CG-CB 4.33Å; L307-W315 HydrophobicContact CD2-CE3 4.49Å; L307-W315 HydrophobicContact CD2-CZ3 4.44Å; L307-P447 HydrophobicContact CD1-CB 4.39Å; L307-P447 HydrophobicContact CD1-CG 4.12Å; L307-P450 CarbonylContact C-O 3.57Å; L307-P450 WeakPolarHBondContact CA-O 3.43Å
308Q97.7Very high97.2Very high63 Ų6348.4 Ų48.429%0.29428%0.277SS..  trans-69.1140.1-179.3-66.6-173.8-52.900111G306 E310 I311 C312 P450G306-Q308 PolarHBondContact O-N 2.82Å; G306-Q308 VanDerWaalsContact O-N 3.1Å; Q308-E310 VanDerWaalsContact C-N 3.26Å; Q308-E310 HydrophobicContact CB-CG 4.34Å; Q308-E310 PolarHBondContact O-N 3.01Å; Q308-I311 HydrophobicContact CB-CD1 4.35Å; Q308-I311 HydrophobicContact CB-CG1 4.38Å; Q308-I311 PolarHBondContact O-N 3.34Å; Q308-C312 PolarHBondContact O-N 3.48Å; Q308-P450 PolarHBondContact N-O 2.97Å
309E97.8Very high97.2Very high172 Ų17248.5 Ų48.580%0.80428%0.28SS*.Hα-helixtrans-57.6-37.7-177.1-173.8176.3-174.400112.5I311 C312 S313E309-I311 VanDerWaalsContact C-N 3.32Å; E309-I311 PolarHBondContact O-N 2.93Å; E309-C312 PolarHBondContact O-N 3Å; E309-S313 VanDerWaalsContact O-CB 3.3Å; E309-S313 WeakPolarHBondContact O-CB 3.17Å; E309-S313 PolarHBondContact O-N 3.34Å
310E97.2Very high97.2Very high33 Ų3349.7 Ų49.715%0.15429%0.291CS..Hα-helixtrans-66.3-31.7177.765.3-169.5160.500113.3Q308 M314 L452 S493 T495 I500Q308-E310 VanDerWaalsContact C-N 3.26Å; Q308-E310 HydrophobicContact CB-CG 4.34Å; Q308-E310 PolarHBondContact O-N 3.01Å; E310-M314 WeakPolarHBondContact O-CB 3.42Å; E310-M314 PolarHBondContact O-N 3.01Å; E310-M314 VanDerWaalsContact O-N 3.14Å; E310-L452 WeakPolarHBondContact OE1-CD1 3.41Å; E310-S493 WeakPolarHBondContact OE2-CB 3.5Å; E310-S493 PolarHBondContact OE2-OG 2.93Å; E310-T495 PolarHBondContact OE2-OG1 3.02Å; E310-I500 HydrophobicContact CB-CD1 4.32Å; E310-I500 HydrophobicContact CG-CD1 4.27Å
311I98.1Very high97.2Very high8 Ų848.3 Ų48.34%0.04128%0.281CS..Hα-helixtrans-75-42.7174.5-62.4177.3000109.8L307 Q308 E309 M314 W315 P447 I500L307-I311 HydrophobicContact CD1-CB 4.12Å; L307-I311 HydrophobicContact CD1-CG2 3.82Å; Q308-I311 HydrophobicContact CB-CD1 4.35Å; Q308-I311 HydrophobicContact CB-CG1 4.38Å; Q308-I311 PolarHBondContact O-N 3.34Å; E309-I311 VanDerWaalsContact C-N 3.32Å; E309-I311 PolarHBondContact O-N 2.93Å; I311-M314 PolarHBondContact O-N 3.34Å; I311-W315 WeakPolarHBondContact O-CB 3.39Å; I311-W315 PolarHBondContact O-N 2.85Å; I311-P447 HydrophobicContact CG2-CB 3.94Å; I311-P447 HydrophobicContact CG2-CG 4.32Å; I311-I500 HydrophobicContact CG1-CG2 4.39Å
312C98Very high97.1Very high30 Ų3046.8 Ų46.820%0.20327%0.274CS..Hα-helixtrans-60.1-47.9175.8-165.40000111.5L307 Q308 E309 M314 W315 D316L307-C312 HydrophobicContact CD2-CB 4.12Å; L307-C312 HydrophobicContact CG-CB 4.33Å; Q308-C312 PolarHBondContact O-N 3.48Å; E309-C312 PolarHBondContact O-N 3Å; C312-M314 VanDerWaalsContact C-N 3.32Å; C312-M314 PolarHBondContact O-N 3.24Å; C312-W315 WeakPolarHBondContact O-CA 3.42Å; C312-W315 WeakPolarHBondContact O-CB 3.47Å; C312-W315 PolarHBondContact O-N 2.69Å; C312-W315 VanDerWaalsContact O-N 3.09Å; C312-D316 PolarHBondContact O-N 3.1Å
313S98.2Very high97.1Very high68 Ų6848.5 Ų48.548%0.47629%0.289SS..Hα-helixtrans-61.4-40.2177.91780000112.3E309 D316 T317E309-S313 VanDerWaalsContact O-CB 3.3Å; E309-S313 WeakPolarHBondContact O-CB 3.17Å; E309-S313 PolarHBondContact O-N 3.34Å; S313-D316 PolarHBondContact O-N 2.99Å; S313-T317 WeakPolarHBondContact O-CB 3.41Å; S313-T317 PolarHBondContact O-N 3.34Å; S313-T317 PolarHBondContact O-OG1 2.82Å
314M98.1Very high97Very high33 Ų3350.3 Ų50.316%0.16330%0.301CS..Hα-helixtrans-67.7-37.1174.5-172.858.563.700111.9E310 I311 C312 T317 V318 V490 I500E310-M314 WeakPolarHBondContact O-CB 3.42Å; E310-M314 PolarHBondContact O-N 3.01Å; E310-M314 VanDerWaalsContact O-N 3.14Å; I311-M314 PolarHBondContact O-N 3.34Å; C312-M314 VanDerWaalsContact C-N 3.32Å; C312-M314 PolarHBondContact O-N 3.24Å; M314-T317 WeakPolarHBondContact O-CB 3.27Å; M314-T317 PolarHBondContact O-N 2.91Å; M314-V318 WeakPolarHBondContact O-CG2 3.32Å; M314-V318 PolarHBondContact O-N 3.33Å; M314-V318 HydrophobicContact SD-CG2 4.36Å; M314-V490 HydrophobicContact CG-CB 4.42Å; M314-V490 HydrophobicContact CG-CG2 3.36Å; M314-V490 HydrophobicContact SD-CB 4.39Å; M314-V490 HydrophobicContact SD-CG2 3.9Å; M314-I500 HydrophobicContact CB-CD1 4.43Å; M314-I500 HydrophobicContact CB-CG2 3.83Å; M314-I500 HydrophobicContact CG-CB 4.37Å; M314-I500 HydrophobicContact CG-CG2 3.67Å
315W98.4Very high96.9Very high1 Ų154.3 Ų54.30%0.00432%0.318CS..Hα-helixtrans-61.6-45.8175.2-173.919.1000111.7I298 H303 L307 I311 C312 T317 V318 A319 L445 P447 L502I298-W315 HydrophobicContact CG2-CH2 4Å; I298-W315 HydrophobicContact CG2-CZ2 3.53Å; H303-W315 AromaticContact CE1-CH2 3.7Å; H303-W315 AromaticContact CE1-CZ3 3.52Å; H303-W315 AromaticContact ND1-CZ3 3.88Å; H303-W315 AromaticContact NE2-CZ3 3.64Å; L307-W315 HydrophobicContact CD2-CE3 4.49Å; L307-W315 HydrophobicContact CD2-CZ3 4.44Å; I311-W315 WeakPolarHBondContact O-CB 3.39Å; I311-W315 PolarHBondContact O-N 2.85Å; C312-W315 WeakPolarHBondContact O-CA 3.42Å; C312-W315 WeakPolarHBondContact O-CB 3.47Å; C312-W315 PolarHBondContact O-N 2.69Å; C312-W315 VanDerWaalsContact O-N 3.09Å; W315-T317 VanDerWaalsContact C-N 3.33Å; W315-T317 PolarHBondContact O-N 3.35Å; W315-V318 PolarHBondContact O-N 3.01Å; W315-A319 WeakPolarHBondContact O-CB 3.29Å; W315-A319 PolarHBondContact O-N 3.44Å; W315-L445 WeakPolarHBondContact CZ2-O 3.49Å; W315-L445 PolarHBondContact NE1-O 3.2Å; W315-L445 VanDerWaalsContact NE1-O 3.14Å; W315-P447 HydrophobicContact CD2-CG 3.85Å; W315-P447 HydrophobicContact CE3-CG 3.63Å; W315-P447 HydrophobicContact CG-CG 4.36Å; W315-P447 HydrophobicContact CZ3-CG 3.99Å; W315-L502 HydrophobicContact CB-CD2 4.12Å; W315-L502 HydrophobicContact CG-CD2 4.41Å
316D98.3Very high96.8Very high95 Ų9550.7 Ų50.751%0.50829%0.292SS..Hα-helixtrans-62-40.9173.9-69.7-31.7000111.8C312 S313 V318 A319 G320C312-D316 PolarHBondContact O-N 3.1Å; S313-D316 PolarHBondContact O-N 2.99Å; D316-V318 PolarHBondContact O-N 2.96Å; D316-A319 WeakPolarHBondContact O-CB 3.43Å; D316-A319 PolarHBondContact O-N 3.37Å; D316-G320 PolarHBondContact O-N 2.87Å
317T98.2Very high96.8Very high57 Ų5751.9 Ų51.935%0.3529%0.29SS..Hα-helixtrans-61-46.3178.1-61.50000111.4S313 M314 W315 G320 W321S313-T317 WeakPolarHBondContact O-CB 3.41Å; S313-T317 PolarHBondContact O-N 3.34Å; S313-T317 PolarHBondContact O-OG1 2.82Å; M314-T317 WeakPolarHBondContact O-CB 3.27Å; M314-T317 PolarHBondContact O-N 2.91Å; W315-T317 VanDerWaalsContact C-N 3.33Å; W315-T317 PolarHBondContact O-N 3.35Å; T317-G320 WeakPolarHBondContact O-CA 3.39Å; T317-G320 PolarHBondContact O-N 3.1Å; T317-W321 HydrophobicContact CG2-CD2 4.47Å; T317-W321 HydrophobicContact CG2-CH2 4.49Å; T317-W321 HydrophobicContact CG2-CZ2 3.64Å; T317-W321 PolarHBondContact O-N 3.44Å
318V98.4Very high96.8Very high0 Ų050.8 Ų50.80%029%0.285CS..Hα-helixtrans-70.9-34.2179.3176.10000111.5M314 W315 D316 G320 W321 L322 L445 V490 L502 L521M314-V318 WeakPolarHBondContact O-CG2 3.32Å; M314-V318 PolarHBondContact O-N 3.33Å; M314-V318 HydrophobicContact SD-CG2 4.36Å; W315-V318 PolarHBondContact O-N 3.01Å; D316-V318 PolarHBondContact O-N 2.96Å; V318-G320 VanDerWaalsContact C-N 3.3Å; V318-W321 HydrophobicContact CB-CE3 4.35Å; V318-W321 HydrophobicContact CG1-CE3 4.46Å; V318-W321 HydrophobicContact CG2-CE3 3.82Å; V318-W321 HydrophobicContact CG2-CH2 4.39Å; V318-W321 HydrophobicContact CG2-CZ3 3.74Å; V318-W321 PolarHBondContact O-N 3.36Å; V318-L322 PolarHBondContact O-N 3.2Å; V318-L445 HydrophobicContact CB-CD2 4.29Å; V318-L445 HydrophobicContact CG1-CD1 4.28Å; V318-L445 HydrophobicContact CG1-CD2 3.92Å; V318-V490 HydrophobicContact CG2-CB 3.97Å; V318-V490 HydrophobicContact CG2-CG1 3.97Å; V318-V490 HydrophobicContact CG2-CG2 4.24Å; V318-L502 HydrophobicContact CB-CD1 3.52Å; V318-L502 HydrophobicContact CG1-CD1 3.83Å; V318-L502 HydrophobicContact CG2-CD1 3.55Å; V318-L521 HydrophobicContact CG1-CD1 4.33Å; V318-L521 HydrophobicContact CG1-CD2 4.2Å
319A98.4Very high96.7Very high14 Ų1450.7 Ų50.712%0.11629%0.291CS..Hα-helixtrans-60.6-40.8169.400000111.4I298 W315 D316 L322 A323 V330 L445I298-A319 HydrophobicContact CD1-CB 4.2Å; W315-A319 WeakPolarHBondContact O-CB 3.29Å; W315-A319 PolarHBondContact O-N 3.44Å; D316-A319 WeakPolarHBondContact O-CB 3.43Å; D316-A319 PolarHBondContact O-N 3.37Å; A319-L322 WeakPolarHBondContact O-CB 3.2Å; A319-L322 PolarHBondContact O-N 2.87Å; A319-A323 PolarHBondContact O-N 3.18Å; A319-V330 HydrophobicContact CB-CG1 4.31Å; A319-L445 HydrophobicContact CB-CD2 4.26Å
320G98Very high96.7Very high24 Ų2444.8 Ų44.825%0.24727%0.267CS..Hα-helixtrans-59.9-45.8171.400000112.7D316 T317 V318 L322 A323 D324D316-G320 PolarHBondContact O-N 2.87Å; T317-G320 WeakPolarHBondContact O-CA 3.39Å; T317-G320 PolarHBondContact O-N 3.1Å; V318-G320 VanDerWaalsContact C-N 3.3Å; G320-L322 VanDerWaalsContact C-N 3.28Å; G320-L322 PolarHBondContact O-N 3.38Å; G320-A323 PolarHBondContact O-N 3.29Å; G320-A323 VanDerWaalsContact O-N 3.12Å; G320-D324 WeakPolarHBondContact O-CB 3.39Å; G320-D324 PolarHBondContact O-N 3.39Å
321W97.4Very high96.7Very high47 Ų4746.9 Ų46.918%0.17828%0.276CS..Hα-helixtrans-59.7-38.2176.2-62-13.4000113T317 V318 H325 L326 Q524 A525T317-W321 HydrophobicContact CG2-CD2 4.47Å; T317-W321 HydrophobicContact CG2-CH2 4.49Å; T317-W321 HydrophobicContact CG2-CZ2 3.64Å; T317-W321 PolarHBondContact O-N 3.44Å; V318-W321 HydrophobicContact CB-CE3 4.35Å; V318-W321 HydrophobicContact CG1-CE3 4.46Å; V318-W321 HydrophobicContact CG2-CE3 3.82Å; V318-W321 HydrophobicContact CG2-CH2 4.39Å; V318-W321 HydrophobicContact CG2-CZ3 3.74Å; V318-W321 PolarHBondContact O-N 3.36Å; W321-H325 WeakPolarHBondContact O-CA 3.44Å; W321-H325 WeakPolarHBondContact O-CB 3.4Å; W321-H325 PolarHBondContact O-N 3.06Å; W321-L326 PolarHBondContact O-N 3.4Å; W321-Q524 HydrophobicContact CB-CG 4.19Å; W321-Q524 HydrophobicContact CD2-CG 3.64Å; W321-Q524 HydrophobicContact CE3-CB 4.31Å; W321-Q524 HydrophobicContact CE3-CG 3.63Å; W321-Q524 HydrophobicContact CG-CG 3.89Å; W321-Q524 HydrophobicContact CZ3-CG 4.26Å; W321-A525 HydrophobicContact CH2-CB 4.38Å; W321-A525 HydrophobicContact CZ3-CB 3.95Å
322L96.7Very high96.8Very high0 Ų052.1 Ų52.10%030%0.304CS..Hα-helixtrans-61.8-44.5175.5-76.8161.5000111.5I296 V318 A319 G320 L326 S327 C328 V330 L445 L517 L521I296-L322 HydrophobicContact CD1-CD2 4.44Å; I296-L322 HydrophobicContact CG1-CD1 4.19Å; I296-L322 HydrophobicContact CG1-CD2 4.26Å; I296-L322 HydrophobicContact CG2-CD1 4.04Å; V318-L322 PolarHBondContact O-N 3.2Å; A319-L322 WeakPolarHBondContact O-CB 3.2Å; A319-L322 PolarHBondContact O-N 2.87Å; G320-L322 VanDerWaalsContact C-N 3.28Å; G320-L322 PolarHBondContact O-N 3.38Å; L322-L326 HydrophobicContact CD2-CD1 4.05Å; L322-L326 CarbonylContact O-C 3.56Å; L322-S327 PolarHBondContact O-N 2.83Å; L322-C328 HydrophobicContact CB-CB 4.2Å; L322-C328 VanDerWaalsContact O-CB 3.26Å; L322-C328 WeakPolarHBondContact O-CB 3.45Å; L322-C328 PolarHBondContact O-N 2.9Å; L322-V330 HydrophobicContact CB-CG2 4.02Å; L322-L445 HydrophobicContact CD1-CD2 3.82Å; L322-L517 HydrophobicContact CD2-CD1 3.89Å; L322-L517 HydrophobicContact CD2-CD2 4.37Å; L322-L517 HydrophobicContact CD2-CG 4.42Å; L322-L521 HydrophobicContact CD2-CD1 4.15Å; L322-L521 HydrophobicContact CD2-CD2 3.98Å; L322-L521 HydrophobicContact CD2-CG 4.34Å; L322-L521 HydrophobicContact CG-CD1 4.47Å; L322-L521 HydrophobicContact CG-CD2 4.01Å
323A96.2Very high96.8Very high39 Ų3951.1 Ų51.132%0.32230%0.297SS..Hα-helixtrans-69.2-52.717800000112.3A319 G320 S327 C328 V330A319-A323 PolarHBondContact O-N 3.18Å; G320-A323 PolarHBondContact O-N 3.29Å; G320-A323 VanDerWaalsContact O-N 3.12Å; A323-S327 WeakPolarHBondContact O-CA 3.43Å; A323-S327 PolarHBondContact O-N 3.48Å; A323-C328 WeakPolarHBondContact CA-O 3.36Å; A323-V330 HydrophobicContact CB-CG2 4.08Å
324D95.4Very high96.8Very high126 Ų12655.5 Ų55.567%0.67430%0.303SS*.Hα-helixtrans-83.3-37.4-166.2-63.9-23.5000113G320G320-D324 WeakPolarHBondContact O-CB 3.39Å; G320-D324 PolarHBondContact O-N 3.39Å
325H91.6Very high96.8Very high104 Ų10453.9 Ų53.948%0.48130%0.295SS..THydrogen-bonded Turntrans-103.8-29-173-58.5176000113W321 Q524W321-H325 WeakPolarHBondContact O-CA 3.44Å; W321-H325 WeakPolarHBondContact O-CB 3.4Å; W321-H325 PolarHBondContact O-N 3.06Å; H325-Q524 PolarHBondContact CE1-NE2 3.21Å; H325-Q524 PolarHBondContact ND1-NE2 3.02Å; H325-Q524 PolarHBondContact ND1-OE1 2.97Å
326L91.2Very high96.8Very high54 Ų5456.6 Ų56.628%0.28331%0.313SS..THydrogen-bonded Turntrans-109.65.5-179.2-59.4179.3000112.9W321 L322 C328 L517 K520 L521W321-L326 PolarHBondContact O-N 3.4Å; L322-L326 HydrophobicContact CD2-CD1 4.05Å; L322-L326 CarbonylContact O-C 3.56Å; L326-C328 PolarHBondContact O-N 3.02Å; L326-C328 PolarHBondContact O-SG 2.76Å; L326-L517 HydrophobicContact CD1-CD1 3.86Å; L326-K520 HydrophobicContact CD1-CB 4.04Å; L326-K520 HydrophobicContact CD2-CB 4.03Å; L326-K520 HydrophobicContact CD2-CD 4.23Å; L326-L521 HydrophobicContact CD1-CD2 3.86Å; L326-L521 HydrophobicContact CD1-CG 4.24Å
327S93.2Very high96.8Very high88 Ų8854.7 Ų54.762%0.61530%0.301SS*.  trans52.928.3177.3-57.80000113.8P293 L322 A323P293-S327 WeakPolarHBondContact CB-O 3.14Å; L322-S327 PolarHBondContact O-N 2.83Å; A323-S327 WeakPolarHBondContact O-CA 3.43Å; A323-S327 PolarHBondContact O-N 3.48Å
328C95.5Very high96.7Very high10 Ų1052.2 Ų52.27%0.06829%0.286CS..  trans-79.7146.2179.4-62.60000110.6L294 I296 L322 A323 L326 V330L294-C328 CarbonylContact O-C 3.52Å; L294-C328 WeakPolarHBondContact O-CA 3.3Å; L294-C328 VanDerWaalsContact O-CB 3.24Å; L294-C328 WeakPolarHBondContact O-CB 3.24Å; I296-C328 HydrophobicContact CG1-CB 3.88Å; L322-C328 HydrophobicContact CB-CB 4.2Å; L322-C328 VanDerWaalsContact O-CB 3.26Å; L322-C328 WeakPolarHBondContact O-CB 3.45Å; L322-C328 PolarHBondContact O-N 2.9Å; A323-C328 WeakPolarHBondContact CA-O 3.36Å; L326-C328 PolarHBondContact O-N 3.02Å; L326-C328 PolarHBondContact O-SG 2.76Å; C328-V330 PolarHBondContact O-N 3.25Å
329S96.6Very high96.6Very high61 Ų6155.8 Ų55.843%0.42731%0.309SS..EExtended strand (participates in β ladder)trans-81.1113.7169.8179.70000109.3L294 R295 I296L294-S329 PolarHBondContact O-N 2.96Å; R295-S329 CarbonylContact C-O 3.58Å; R295-S329 VanDerWaalsContact CA-O 3.31Å; R295-S329 WeakPolarHBondContact CA-O 3.48Å; I296-S329 PolarHBondContact N-O 3.02Å
330V98.1Very high96.5Very high49 Ų4958.9 Ų58.930%0.29732%0.322SS..EExtended strand (participates in β ladder)trans-102.5125.6179.7-1750000109.6I296 I298 A319 L322 A323 C328I296-V330 HydrophobicContact CB-CG2 4.31Å; I296-V330 WeakPolarHBondContact O-CA 3.48Å; I298-V330 HydrophobicContact CD1-CG1 4.11Å; I298-V330 HydrophobicContact CG1-CG1 3.61Å; A319-V330 HydrophobicContact CB-CG1 4.31Å; L322-V330 HydrophobicContact CB-CG2 4.02Å; A323-V330 HydrophobicContact CB-CG2 4.08Å; C328-V330 PolarHBondContact O-N 3.25Å
331Q97.8Very high96.5Very high76 Ų7657.7 Ų57.736%0.35531%0.31SS..EExtended strand (participates in β ladder)trans-140.3150.2-179.262.9-177.8-18.600112.8I296 G297 I298 V333 S440 V441I296-Q331 PolarHBondContact O-N 3.24Å; G297-Q331 CarbonylContact C-O 3.54Å; G297-Q331 WeakPolarHBondContact CA-O 3.42Å; I298-Q331 PolarHBondContact N-O 3.1Å; Q331-V333 HydrophobicContact CG-CG1 4.35Å; Q331-S440 PolarHBondContact NE2-O 3.03Å; Q331-V441 HydrophobicContact CG-CG1 3.83Å
332L98.3Very high96.4Very high118 Ų11855.9 Ų55.962%0.61830%0.304SS*.EExtended strand (participates in β ladder)trans-69.6134.7172.3-62.7171.9000109.9I298 L300I298-L332 HydrophobicContact CB-CD2 4.07Å; I298-L332 HydrophobicContact CG2-CD2 4.01Å; I298-L332 WeakPolarHBondContact O-CA 3.36Å; L300-L332 HydrophobicContact CD2-CB 4.3Å; L300-L332 HydrophobicContact CD2-CD1 4.08Å; L300-L332 HydrophobicContact CD2-CD2 3.94Å; L300-L332 HydrophobicContact CD2-CG 4.32Å
333V98.6Very high96.4Very high9 Ų958.8 Ų58.86%0.05532%0.322CS..EExtended strand (participates in β ladder)trans-126.3165.3176.8-61.10000110.7I298 P299 L300 Q331 V437 V441I298-V333 PolarHBondContact O-N 3.16Å; P299-V333 WeakPolarHBondContact CA-O 3.43Å; P299-V333 HydrophobicContact CB-CG2 4.19Å; L300-V333 PolarHBondContact N-O 3.46Å; Q331-V333 HydrophobicContact CG-CG1 4.35Å; V333-V437 HydrophobicContact CB-CG1 3.98Å; V333-V437 HydrophobicContact CB-CG2 4.31Å; V333-V437 HydrophobicContact CG1-CG1 4.14Å; V333-V437 HydrophobicContact CG2-CG1 3.93Å; V333-V441 HydrophobicContact CG1-CG1 3.81Å; V333-V441 HydrophobicContact CG1-CG2 4.37Å
334R98.4Very high96.5Very high160 Ų16057 Ų5760%0.60431%0.307SS*.  trans-118.7130.5-178.9-63-157.165.2-171.3-1.5111.6L300 E301 V437L300-R334 HydrophobicContact CD1-CG 4.12Å; E301-R334 IonicContact OE1-CZ 3.91Å; E301-R334 IonicContact OE1-NE 3.39Å; E301-R334 PolarHBondContact OE1-NE 3.12Å; E301-R334 IonicContact OE1-NH2 3.48Å; E301-R334 PolarHBondContact OE1-NH2 2.94Å; E301-R334 WeakPolarHBondContact OE2-CA 3.36Å; R334-V437 WeakPolarHBondContact O-CG2 3.41Å
335L98.3Very high96.6Very high0 Ų051.3 Ų51.30%028%0.276CS..  trans-127.266.8172.2-64.6172.8000109.1P299 E301 Y302 H337 T338 D433 F434 V437 I444P299-L335 HydrophobicContact CB-CD1 3.75Å; P299-L335 HydrophobicContact CB-CG 4.27Å; P299-L335 HydrophobicContact CG-CD1 4.36Å; E301-L335 PolarHBondContact OE2-N 3.3Å; Y302-L335 HydrophobicContact CE1-CD1 4.35Å; L335-H337 PolarHBondContact O-N 2.99Å; L335-T338 HydrophobicContact CB-CG2 3.49Å; L335-T338 VanDerWaalsContact CB-CG2 3.49Å; L335-T338 HydrophobicContact CD1-CG2 4.14Å; L335-T338 HydrophobicContact CG-CG2 4.36Å; L335-T338 WeakPolarHBondContact O-CB 3.45Å; L335-T338 PolarHBondContact O-N 2.78Å; L335-T338 PolarHBondContact O-OG1 3.27Å; L335-D433 HydrophobicContact CD2-CB 3.96Å; L335-F434 HydrophobicContact CD1-CD1 4.31Å; L335-F434 HydrophobicContact CD1-CE1 3.73Å; L335-F434 HydrophobicContact CD1-CE2 4.48Å; L335-F434 HydrophobicContact CD1-CZ 3.84Å; L335-F434 HydrophobicContact CD2-CD1 4.03Å; L335-F434 HydrophobicContact CD2-CD2 4.34Å; L335-F434 HydrophobicContact CD2-CE1 4.26Å; L335-F434 HydrophobicContact CD2-CG 4.09Å; L335-V437 HydrophobicContact CD2-CB 4.13Å; L335-V437 HydrophobicContact CD2-CG2 3.61Å; L335-V437 HydrophobicContact CG-CG2 4.31Å; L335-I444 HydrophobicContact CD1-CD1 4.43Å
336P98Very high96.8Very high58 Ų5847.8 Ų47.838%0.37726%0.263SS..THydrogen-bonded Turntrans-60.8-24.1-162.723.9-35.8000115.1P339 D433P336-P339 WeakPolarHBondContact O-CD 3.34Å; P336-D433 VanDerWaalsContact CD-OD2 3.29Å; P336-D433 WeakPolarHBondContact CD-OD2 3.5Å
337H98.1Very high97.1Very high54 Ų5445.8 Ų45.825%0.2525%0.253CS..THydrogen-bonded Turntrans-92.7-7179.9-55.996.8000113.8L335 P339 M340 L429 I430 D433L335-H337 PolarHBondContact O-N 2.99Å; H337-P339 VanDerWaalsContact C-N 3.34Å; H337-M340 WeakPolarHBondContact O-CB 3.36Å; H337-M340 PolarHBondContact O-N 3.29Å; H337-L429 HydrophobicContact CB-CB 4.46Å; H337-I430 HydrophobicContact CB-CG1 3.69Å; H337-D433 VanDerWaalsContact CB-OD2 3.26Å; H337-D433 WeakPolarHBondContact CB-OD2 3.38Å; H337-D433 IonicContact CE1-OD1 3.63Å; H337-D433 IonicContact CE1-OD2 3.97Å; H337-D433 IonicContact CG-OD2 3.37Å; H337-D433 PolarHBondContact N-OD2 2.99Å; H337-D433 IonicContact ND1-OD1 3.02Å; H337-D433 PolarHBondContact ND1-OD1 2.57Å; H337-D433 IonicContact ND1-OD2 2.79Å; H337-D433 PolarHBondContact ND1-OD2 2.83Å
338T97.3Very high97.3Very high5 Ų542.1 Ų42.13%0.03123%0.227CC..G310 helixtrans-60-31-179.755.20000115.2E301 Y302 L335 M340 A341 F434 A477E301-T338 WeakPolarHBondContact CB-OG1 3.39Å; Y302-T338 HydrophobicContact CE1-CG2 4.09Å; L335-T338 HydrophobicContact CB-CG2 3.49Å; L335-T338 VanDerWaalsContact CB-CG2 3.49Å; L335-T338 HydrophobicContact CD1-CG2 4.14Å; L335-T338 HydrophobicContact CG-CG2 4.36Å; L335-T338 WeakPolarHBondContact O-CB 3.45Å; L335-T338 PolarHBondContact O-N 2.78Å; L335-T338 PolarHBondContact O-OG1 3.27Å; T338-M340 PolarHBondContact O-N 3.32Å; T338-A341 WeakPolarHBondContact O-CB 3.44Å; T338-A341 PolarHBondContact O-N 3.09Å; T338-F434 HydrophobicContact CG2-CE2 4.1Å; T338-F434 HydrophobicContact CG2-CZ 4.42Å; T338-A477 HydrophobicContact CG2-CB 3.82Å
339P95.6Very high97.3Very high76 Ų7641.8 Ų41.849%0.49422%0.224SC..G310 helixtrans-58.5-22.3172.8-26.937.2000114.1E301 P336 H337E301-P339 HydrophobicContact CB-CG 4.25Å; E301-P339 HydrophobicContact CG-CG 4.31Å; P336-P339 WeakPolarHBondContact O-CD 3.34Å; H337-P339 VanDerWaalsContact C-N 3.34Å
340M96.1Very high97.4Very high78 Ų7839.1 Ų39.138%0.38421%0.206SC..G310 helixtrans-88.3-5.2176.9-63.7-56.2-5700113.6H337 T338 T342 T343 V344 L426H337-M340 WeakPolarHBondContact O-CB 3.36Å; H337-M340 PolarHBondContact O-N 3.29Å; T338-M340 PolarHBondContact O-N 3.32Å; M340-T342 PolarHBondContact O-N 3.02Å; M340-T343 HydrophobicContact CE-CG2 4.13Å; M340-T343 WeakPolarHBondContact O-CB 3.31Å; M340-T343 PolarHBondContact O-N 3.01Å; M340-T343 VanDerWaalsContact O-N 3.17Å; M340-V344 WeakPolarHBondContact O-CG2 3.35Å; M340-V344 PolarHBondContact O-N 3.41Å; M340-L426 HydrophobicContact CE-CD1 4.38Å
341A97.7Very high97.3Very high0 Ų037.2 Ų37.20%020%0.195CC..Hα-helixtrans-60.5-45.3-170.400000113.1T338 T343 V344 Y345 I430 V476 A477 L480T338-A341 WeakPolarHBondContact O-CB 3.44Å; T338-A341 PolarHBondContact O-N 3.09Å; A341-T343 VanDerWaalsContact C-N 3.29Å; A341-T343 PolarHBondContact O-N 3.36Å; A341-V344 PolarHBondContact O-N 2.81Å; A341-Y345 VanDerWaalsContact O-CB 3.29Å; A341-Y345 WeakPolarHBondContact O-CB 3.31Å; A341-Y345 PolarHBondContact O-N 3.38Å; A341-I430 HydrophobicContact CB-CD1 4.04Å; A341-V476 HydrophobicContact CB-CB 4.49Å; A341-V476 HydrophobicContact CB-CG1 4.12Å; A341-V476 WeakPolarHBondContact O-CG1 3.33Å; A341-A477 HydrophobicContact CB-CB 3.65Å; A341-L480 HydrophobicContact CB-CD1 3.96Å
342T96.4Very high97.3Very high9 Ų935.1 Ų35.16%0.05519%0.185CC..Hα-helixtrans-63-35.7178.554.30000112M340 S346 V473 V476M340-T342 PolarHBondContact O-N 3.02Å; T342-S346 WeakPolarHBondContact O-CB 3.3Å; T342-S346 PolarHBondContact O-N 2.86Å; T342-S346 PolarHBondContact O-OG 3.44Å; T342-V473 HydrophobicContact CG2-CB 4.44Å; T342-V476 HydrophobicContact CG2-CG2 4.25Å
343T96.1Very high97.3Very high60 Ų6029.5 Ų29.537%0.36816%0.155SC..Hα-helixtrans-69-46.6175.2-64.20000111.4M340 A341 S346 V347M340-T343 HydrophobicContact CE-CG2 4.13Å; M340-T343 WeakPolarHBondContact O-CB 3.31Å; M340-T343 PolarHBondContact O-N 3.01Å; M340-T343 VanDerWaalsContact O-N 3.17Å; A341-T343 VanDerWaalsContact C-N 3.29Å; A341-T343 PolarHBondContact O-N 3.36Å; T343-S346 PolarHBondContact O-N 2.9Å; T343-V347 PolarHBondContact O-N 3.04Å
344V97.6Very high97.3Very high1 Ų129.3 Ų29.31%0.00616%0.155CC..Hα-helixtrans-58.9-48.8175.8168.90000110.6M340 A341 S346 V347 L348 L426 W427 I430 L480M340-V344 WeakPolarHBondContact O-CG2 3.35Å; M340-V344 PolarHBondContact O-N 3.41Å; A341-V344 PolarHBondContact O-N 2.81Å; V344-S346 PolarHBondContact O-N 3.4Å; V344-V347 PolarHBondContact O-N 2.92Å; V344-L348 HydrophobicContact CG1-CD1 3.82Å; V344-L348 HydrophobicContact CG1-CG 4.4Å; V344-L348 WeakPolarHBondContact O-CG 3.46Å; V344-L348 PolarHBondContact O-N 3.25Å; V344-L426 HydrophobicContact CG2-CB 3.51Å; V344-L426 HydrophobicContact CG2-CD1 4.09Å; V344-L426 HydrophobicContact CG2-CG 4.46Å; V344-W427 HydrophobicContact CG1-CB 3.73Å; V344-W427 HydrophobicContact CG1-CG 4.35Å; V344-I430 HydrophobicContact CB-CD1 4.39Å; V344-I430 HydrophobicContact CG2-CD1 4.11Å; V344-L480 HydrophobicContact CB-CD1 4.13Å; V344-L480 HydrophobicContact CG1-CD1 3.87Å; V344-L480 HydrophobicContact CG1-CD2 4.1Å
345Y97.8Very high97.1Very high7 Ų725.1 Ų25.13%0.02715%0.15CC..Hα-helixtrans-57.7-46176.5172.8-91000112.2T192 L227 A341 V347 L348 C349 T468 V476T192-Y345 HydrophobicContact CG2-CE2 4.12Å; T192-Y345 WeakPolarHBondContact O-CE2 3.25Å; L227-Y345 HydrophobicContact CD1-CD2 3.64Å; L227-Y345 HydrophobicContact CD1-CE2 3.86Å; A341-Y345 VanDerWaalsContact O-CB 3.29Å; A341-Y345 WeakPolarHBondContact O-CB 3.31Å; A341-Y345 PolarHBondContact O-N 3.38Å; Y345-V347 VanDerWaalsContact C-N 3.27Å; Y345-V347 PolarHBondContact O-N 3.04Å; Y345-L348 PolarHBondContact O-N 2.89Å; Y345-C349 HydrophobicContact CD1-CB 4.32Å; Y345-C349 HydrophobicContact CE1-CB 4.02Å; Y345-C349 HydrophobicContact CE2-CB 4.38Å; Y345-C349 WeakPolarHBondContact O-CA 3.3Å; Y345-C349 WeakPolarHBondContact O-CB 3.09Å; Y345-C349 PolarHBondContact O-N 3.43Å; Y345-T468 HydrophobicContact CE1-CG2 4.31Å; Y345-V476 HydrophobicContact CD2-CG1 3.93Å; Y345-V476 HydrophobicContact CG-CG1 3.72Å; Y345-V476 HydrophobicContact CG-CG2 4.29Å
346S96.3Very high97.1Very high30 Ų3025.4 Ų25.421%0.2115%0.151CC..Hα-helixtrans-57.1-41.7-179.5-64.70000112.2T342 T343 V344 A350T342-S346 WeakPolarHBondContact O-CB 3.3Å; T342-S346 PolarHBondContact O-N 2.86Å; T342-S346 PolarHBondContact O-OG 3.44Å; T343-S346 PolarHBondContact O-N 2.9Å; V344-S346 PolarHBondContact O-N 3.4Å; S346-A350 VanDerWaalsContact O-CB 3.26Å; S346-A350 WeakPolarHBondContact O-CB 3.28Å; S346-A350 PolarHBondContact O-N 3.03Å; S346-A350 VanDerWaalsContact O-N 3.12Å
347V96.9Very high97Very high13 Ų1322.6 Ų22.68%0.07913%0.133CC..Hα-helixtrans-69.4-52177.7176.70000111T343 V344 Y345 C349 A350 T351 F410 L420 A423T343-V347 PolarHBondContact O-N 3.04Å; V344-V347 PolarHBondContact O-N 2.92Å; Y345-V347 VanDerWaalsContact C-N 3.27Å; Y345-V347 PolarHBondContact O-N 3.04Å; V347-C349 PolarHBondContact O-N 3.04Å; V347-A350 PolarHBondContact O-N 3.42Å; V347-T351 WeakPolarHBondContact O-CG2 3.18Å; V347-T351 PolarHBondContact O-N 3.38Å; V347-T351 VanDerWaalsContact O-N 3.13Å; V347-T351 PolarHBondContact O-OG1 2.87Å; V347-F410 HydrophobicContact CB-CE2 4.49Å; V347-F410 HydrophobicContact CG1-CD1 4.41Å; V347-F410 HydrophobicContact CG1-CD2 4.21Å; V347-F410 HydrophobicContact CG1-CG 4.15Å; V347-F410 HydrophobicContact CG2-CE1 4.28Å; V347-F410 HydrophobicContact CG2-CE2 4.23Å; V347-F410 HydrophobicContact CG2-CZ 4.01Å; V347-L420 HydrophobicContact CG1-CD1 4.22Å; V347-A423 HydrophobicContact CB-CB 3.89Å; V347-A423 HydrophobicContact CG1-CB 3.81Å; V347-A423 HydrophobicContact CG2-CB 4.46Å
348L97Very high96.9Very high11 Ų1122.4 Ų22.46%0.05814%0.141CC..Hα-helixtrans-60.3-47.2-178.7-66.6176.8000111.2V344 Y345 T351 E352 L420 R424 W427 L480V344-L348 HydrophobicContact CG1-CD1 3.82Å; V344-L348 HydrophobicContact CG1-CG 4.4Å; V344-L348 WeakPolarHBondContact O-CG 3.46Å; V344-L348 PolarHBondContact O-N 3.25Å; Y345-L348 PolarHBondContact O-N 2.89Å; L348-T351 PolarHBondContact O-N 2.91Å; L348-T351 PolarHBondContact O-OG1 2.68Å; L348-E352 PolarHBondContact O-N 2.93Å; L348-E352 VanDerWaalsContact O-N 3.1Å; L348-L420 HydrophobicContact CD2-CD1 3.79Å; L348-R424 HydrophobicContact CD2-CG 4.08Å; L348-W427 HydrophobicContact CD1-CB 4.37Å; L348-W427 HydrophobicContact CD1-CD2 3.78Å; L348-W427 HydrophobicContact CD1-CE3 3.61Å; L348-W427 HydrophobicContact CD1-CG 4.1Å; L348-W427 HydrophobicContact CD1-CZ3 4.34Å; L348-W427 HydrophobicContact CD2-CE3 4.39Å; L348-L480 HydrophobicContact CD1-CD2 3.92Å
349C97.4Very high96.8Very high2 Ų227 Ų271%0.01416%0.158CC..Hα-helixtrans-59.5-50.4179.8-179.40000111.6V224 Y345 V347 T351 E352 V353 R403V224-C349 VanDerWaalsContact CG2-CA 3.49Å; V224-C349 HydrophobicContact CG2-CB 3.66Å; V224-C349 WeakPolarHBondContact CG2-SG 3.48Å; Y345-C349 HydrophobicContact CD1-CB 4.32Å; Y345-C349 HydrophobicContact CE1-CB 4.02Å; Y345-C349 HydrophobicContact CE2-CB 4.38Å; Y345-C349 WeakPolarHBondContact O-CA 3.3Å; Y345-C349 WeakPolarHBondContact O-CB 3.09Å; Y345-C349 PolarHBondContact O-N 3.43Å; V347-C349 PolarHBondContact O-N 3.04Å; C349-T351 VanDerWaalsContact C-N 3.32Å; C349-T351 PolarHBondContact O-N 3.45Å; C349-E352 PolarHBondContact O-N 3.13Å; C349-V353 VanDerWaalsContact O-CB 3.3Å; C349-V353 WeakPolarHBondContact O-CB 3.21Å; C349-V353 VanDerWaalsContact O-CG2 3.23Å; C349-V353 WeakPolarHBondContact O-CG2 3.16Å; C349-V353 PolarHBondContact O-N 3.07Å; C349-R403 PolarHBondContact SG-NH1 3.48Å
350A97.3Very high96.8Very high5 Ų523.9 Ų23.94%0.04114%0.136CC..Hα-helixtrans-58.2-44178.800000111.9S346 V347 E352 V353 A354 A406 G407 F410S346-A350 VanDerWaalsContact O-CB 3.26Å; S346-A350 WeakPolarHBondContact O-CB 3.28Å; S346-A350 PolarHBondContact O-N 3.03Å; S346-A350 VanDerWaalsContact O-N 3.12Å; V347-A350 PolarHBondContact O-N 3.42Å; A350-E352 PolarHBondContact O-N 3.49Å; A350-V353 PolarHBondContact O-N 3.1Å; A350-A354 PolarHBondContact O-N 2.76Å; A350-A406 HydrophobicContact CB-CB 4.05Å; A350-G407 WeakPolarHBondContact O-CA 3.49Å; A350-F410 HydrophobicContact CB-CD2 4.03Å; A350-F410 HydrophobicContact CB-CE2 4.11Å
351T97.4Very high96.6Very high10 Ų1021.3 Ų21.36%0.06112%0.124CC..Hα-helixtrans-63.6-41.3-179.6570000113.5V347 L348 C349 S355 F410 L411 L420V347-T351 WeakPolarHBondContact O-CG2 3.18Å; V347-T351 PolarHBondContact O-N 3.38Å; V347-T351 VanDerWaalsContact O-N 3.13Å; V347-T351 PolarHBondContact O-OG1 2.87Å; L348-T351 PolarHBondContact O-N 2.91Å; L348-T351 PolarHBondContact O-OG1 2.68Å; C349-T351 VanDerWaalsContact C-N 3.32Å; C349-T351 PolarHBondContact O-N 3.45Å; T351-S355 PolarHBondContact O-N 3.46Å; T351-S355 PolarHBondContact O-OG 2.75Å; T351-F410 HydrophobicContact CG2-CB 3.52Å; T351-F410 HydrophobicContact CG2-CD2 4.41Å; T351-F410 HydrophobicContact CG2-CG 4.41Å; T351-L411 HydrophobicContact CG2-CD2 4.15Å; T351-L411 HydrophobicContact CG2-CG 4.09Å; T351-L420 HydrophobicContact CG2-CD1 4.1Å; T351-L420 HydrophobicContact CG2-CD2 4.25Å
352E97.7Very high96.2Very high32 Ų3221.6 Ų21.615%0.1513%0.127CC..Hα-helixtrans-74-36.9176.4-74.7-156.2-128.500112.3V224 N225 T226 L348 C349 A350 A354 S355 N356V224-E352 HydrophobicContact CG1-CB 4.11Å; V224-E352 VanDerWaalsContact CG1-CD 3.48Å; V224-E352 HydrophobicContact CG1-CG 4.13Å; V224-E352 WeakPolarHBondContact CG1-OE1 3.06Å; N225-E352 WeakPolarHBondContact CA-OE2 3.4Å; N225-E352 VanDerWaalsContact CB-OE2 3.3Å; N225-E352 WeakPolarHBondContact CB-OE2 3.35Å; N225-E352 PolarHBondContact N-OE2 3.16Å; N225-E352 PolarHBondContact ND2-OE2 2.93Å; T226-E352 WeakPolarHBondContact CB-OE1 3.34Å; T226-E352 PolarHBondContact N-OE1 3.5Å; T226-E352 PolarHBondContact OG1-OE1 2.98Å; L348-E352 PolarHBondContact O-N 2.93Å; L348-E352 VanDerWaalsContact O-N 3.1Å; C349-E352 PolarHBondContact O-N 3.13Å; A350-E352 PolarHBondContact O-N 3.49Å; E352-A354 VanDerWaalsContact C-N 3.35Å; E352-A354 PolarHBondContact O-N 2.99Å; E352-S355 PolarHBondContact O-N 3.12Å; E352-N356 VanDerWaalsContact O-CB 3.31Å; E352-N356 WeakPolarHBondContact O-CB 3.24Å; E352-N356 PolarHBondContact O-N 3.16Å; E352-N356 PolarHBondContact O-ND2 3.21Å
353V98.1Very high95.9Very high0 Ų026.3 Ų26.30%015%0.151CC..Hα-helixtrans-57.2-47.6173.4162.30000111M139 L223 C349 A350 S355 N356 M357 R403 I404M139-V353 HydrophobicContact CE-CB 4.4Å; M139-V353 HydrophobicContact CE-CG1 3.69Å; M139-V353 HydrophobicContact CE-CG2 3.8Å; M139-V353 HydrophobicContact SD-CG1 4.13Å; M139-V353 HydrophobicContact SD-CG2 4.24Å; L223-V353 HydrophobicContact CD1-CG2 3.48Å; L223-V353 VanDerWaalsContact CD1-CG2 3.48Å; C349-V353 VanDerWaalsContact O-CB 3.3Å; C349-V353 WeakPolarHBondContact O-CB 3.21Å; C349-V353 VanDerWaalsContact O-CG2 3.23Å; C349-V353 WeakPolarHBondContact O-CG2 3.16Å; C349-V353 PolarHBondContact O-N 3.07Å; A350-V353 PolarHBondContact O-N 3.1Å; V353-S355 PolarHBondContact O-N 3.4Å; V353-N356 PolarHBondContact O-N 3.36Å; V353-M357 HydrophobicContact CG1-CG 3.85Å; V353-M357 VanDerWaalsContact O-CB 3.3Å; V353-M357 WeakPolarHBondContact O-CB 3.49Å; V353-M357 WeakPolarHBondContact O-CG 3.1Å; V353-M357 PolarHBondContact O-N 3.46Å; V353-R403 HydrophobicContact CB-CB 4.34Å; V353-R403 HydrophobicContact CG1-CB 3.7Å; V353-I404 HydrophobicContact CG1-CG1 4.12Å
354A97.2Very high95.5Very high5 Ų530.8 Ų30.84%0.04117%0.166CC..Hα-helixtrans-56.4-40.9178.300000112.3A350 E352 L411A350-A354 PolarHBondContact O-N 2.76Å; E352-A354 VanDerWaalsContact C-N 3.35Å; E352-A354 PolarHBondContact O-N 2.99Å; A354-L411 HydrophobicContact CB-CD1 4.21Å
355S95.9Very high95.3Very high72 Ų7234.3 Ų34.350%0.50318%0.18SC..Hα-helixtrans-72.3-46177.2-56.80000112.2T351 E352 V353 A358T351-S355 PolarHBondContact O-N 3.46Å; T351-S355 PolarHBondContact O-OG 2.75Å; E352-S355 PolarHBondContact O-N 3.12Å; V353-S355 PolarHBondContact O-N 3.4Å; S355-A358 WeakPolarHBondContact O-CB 3.25Å; S355-A358 PolarHBondContact O-N 2.82Å
356N97.3Very high95.1Very high5 Ų534.6 Ų34.63%0.02718%0.184CC..Hα-helixtrans-65.1-42.7-178-78.2-25.8000111.7L223 N225 E352 V353 A358 R359L223-N356 PolarHBondContact O-ND2 2.87Å; N225-N356 PolarHBondContact ND2-ND2 3.34Å; N225-N356 PolarHBondContact ND2-OD1 3.05Å; E352-N356 VanDerWaalsContact O-CB 3.31Å; E352-N356 WeakPolarHBondContact O-CB 3.24Å; E352-N356 PolarHBondContact O-N 3.16Å; E352-N356 PolarHBondContact O-ND2 3.21Å; V353-N356 PolarHBondContact O-N 3.36Å; N356-A358 VanDerWaalsContact C-N 3.26Å; N356-A358 PolarHBondContact O-N 3.41Å; N356-R359 WeakPolarHBondContact O-CD 3.17Å; N356-R359 VanDerWaalsContact O-CG 3.28Å; N356-R359 WeakPolarHBondContact O-CG 3.26Å; N356-R359 PolarHBondContact O-NE 3.44Å; N356-R359 PolarHBondContact OD1-NH2 2.96Å
357M96.9Very high95Very high0 Ų033.5 Ų33.50%018%0.176CC..Hα-helixtrans-75.6-13.9-176.8-62.6-58.8109.100113.3F137 M139 V353 R359 Y360 F396 V400 I404F137-M357 HydrophobicContact CD1-CE 4Å; F137-M357 HydrophobicContact CD1-SD 4.07Å; F137-M357 HydrophobicContact CD2-SD 4.1Å; F137-M357 HydrophobicContact CE1-CE 4.38Å; F137-M357 HydrophobicContact CE1-SD 4.24Å; F137-M357 HydrophobicContact CE2-SD 4.27Å; F137-M357 HydrophobicContact CG-CE 4.32Å; F137-M357 HydrophobicContact CG-SD 4Å; F137-M357 HydrophobicContact CZ-SD 4.33Å; M139-M357 HydrophobicContact CE-CE 4.05Å; M139-M357 HydrophobicContact CE-CG 4.07Å; M139-M357 HydrophobicContact CE-SD 3.86Å; V353-M357 HydrophobicContact CG1-CG 3.85Å; V353-M357 VanDerWaalsContact O-CB 3.3Å; V353-M357 WeakPolarHBondContact O-CB 3.49Å; V353-M357 WeakPolarHBondContact O-CG 3.1Å; V353-M357 PolarHBondContact O-N 3.46Å; M357-R359 PolarHBondContact O-N 2.95Å; M357-R359 VanDerWaalsContact O-N 3.14Å; M357-Y360 HydrophobicContact CE-CD2 4.5Å; M357-Y360 HydrophobicContact CE-CE2 3.75Å; M357-Y360 PolarHBondContact O-N 3.08Å; M357-Y360 HydrophobicContact SD-CD2 3.95Å; M357-Y360 HydrophobicContact SD-CE2 3.74Å; M357-F396 HydrophobicContact CB-CE2 4.25Å; M357-F396 HydrophobicContact CB-CZ 4.09Å; M357-F396 HydrophobicContact SD-CE1 4.34Å; M357-F396 HydrophobicContact SD-CZ 4.25Å; M357-V400 HydrophobicContact CG-CG1 4.12Å; M357-V400 HydrophobicContact SD-CG1 4.15Å; M357-I404 HydrophobicContact CB-CD1 3.69Å; M357-I404 HydrophobicContact CB-CG1 3.87Å; M357-I404 HydrophobicContact CG-CD1 4.11Å; M357-I404 HydrophobicContact CG-CG1 4.11Å
358A94.8Very high94.8Very high50 Ų5033.3 Ų33.341%0.41318%0.175SC..THydrogen-bonded Turntrans-62.1-19.7177.200000113.5S355 N356S355-A358 WeakPolarHBondContact O-CB 3.25Å; S355-A358 PolarHBondContact O-N 2.82Å; N356-A358 VanDerWaalsContact C-N 3.26Å; N356-A358 PolarHBondContact O-N 3.41Å
359R94.9Very high94.4Very high100 Ų10033.8 Ų33.838%0.37718%0.177SC..THydrogen-bonded Turntrans-75.3-18.8-179.677.5-170.766.5-133.95.5114.4N356 M357 D361 Y365N356-R359 WeakPolarHBondContact O-CD 3.17Å; N356-R359 VanDerWaalsContact O-CG 3.28Å; N356-R359 WeakPolarHBondContact O-CG 3.26Å; N356-R359 PolarHBondContact O-NE 3.44Å; N356-R359 PolarHBondContact OD1-NH2 2.96Å; M357-R359 PolarHBondContact O-N 2.95Å; M357-R359 VanDerWaalsContact O-N 3.14Å; R359-D361 VanDerWaalsContact C-N 3.27Å; R359-D361 PolarHBondContact O-N 3.24Å; R359-D361 VanDerWaalsContact O-N 3.13Å; R359-Y365 HydrophobicContact CB-CE2 4.07Å; R359-Y365 HydrophobicContact CG-CD2 4.17Å; R359-Y365 HydrophobicContact CG-CE2 3.92Å; R359-Y365 WeakPolarHBondContact O-CD2 3.47Å
360Y95.5Very high93.7Very high11 Ų1136.3 Ų36.34%0.04319%0.193CC..  trans-89.869.7-178.4-53.8-73.2000109.5L106 F137 I221 M357 Y365 R392 F396L106-Y360 HydrophobicContact CD1-CE1 3.83Å; L106-Y360 HydrophobicContact CD2-CD1 3.77Å; L106-Y360 HydrophobicContact CD2-CE1 3.68Å; L106-Y360 HydrophobicContact CG-CD1 4.27Å; L106-Y360 HydrophobicContact CG-CE1 4.05Å; F137-Y360 HydrophobicContact CE1-CD2 4.42Å; F137-Y360 HydrophobicContact CE1-CE1 4.27Å; F137-Y360 AromaticContact CE1-CE2 3.71Å; F137-Y360 HydrophobicContact CE1-CE2 3.71Å; F137-Y360 AromaticContact CE1-CZ 3.61Å; F137-Y360 HydrophobicContact CZ-CD2 4.21Å; F137-Y360 HydrophobicContact CZ-CE1 4.39Å; F137-Y360 AromaticContact CZ-CE2 3.95Å; F137-Y360 HydrophobicContact CZ-CE2 3.95Å; I221-Y360 WeakPolarHBondContact CG2-OH 2.97Å; M357-Y360 HydrophobicContact CE-CD2 4.5Å; M357-Y360 HydrophobicContact CE-CE2 3.75Å; M357-Y360 PolarHBondContact O-N 3.08Å; M357-Y360 HydrophobicContact SD-CD2 3.95Å; M357-Y360 HydrophobicContact SD-CE2 3.74Å; Y360-Y365 AromaticContact CD1-CD2 3.99Å; Y360-Y365 HydrophobicContact CD1-CD2 3.99Å; Y360-Y365 HydrophobicContact CD1-CG 4.18Å; Y360-Y365 HydrophobicContact CE1-CD2 4.17Å; Y360-Y365 HydrophobicContact CE1-CG 4.25Å; Y360-R392 VanDerWaalsContact O-CG 3.25Å; Y360-R392 WeakPolarHBondContact O-CG 3.33Å; Y360-F396 HydrophobicContact CD2-CE1 4.15Å; Y360-F396 AromaticContact CD2-CZ 3.82Å; Y360-F396 HydrophobicContact CD2-CZ 3.82Å; Y360-F396 HydrophobicContact CG-CE1 4.34Å; Y360-F396 HydrophobicContact CG-CZ 4.1Å
361D92.3Very high92.9Very high24 Ų2443.2 Ų43.213%0.12822%0.222CC..SBendtrans-91.8-3.7-177.658.711.2000113.4R359 L363 K364 Y388R359-D361 VanDerWaalsContact C-N 3.27Å; R359-D361 PolarHBondContact O-N 3.24Å; R359-D361 VanDerWaalsContact O-N 3.13Å; D361-L363 VanDerWaalsContact C-N 3.32Å; D361-L363 WeakPolarHBondContact OD1-CB 3.35Å; D361-L363 PolarHBondContact OD1-N 3.06Å; D361-K364 PolarHBondContact OD1-N 3.2Å; D361-Y388 HydrophobicContact CB-CD1 3.73Å; D361-Y388 HydrophobicContact CB-CD2 4.44Å; D361-Y388 HydrophobicContact CB-CE1 4.01Å; D361-Y388 HydrophobicContact CB-CG 3.97Å; D361-Y388 WeakPolarHBondContact O-CD1 3.26Å
362G90Very high91.8Very high7 Ų747.6 Ų47.67%0.07225%0.245CC..SBendtrans814.1-175.800000115F367 S368G362-F367 VanDerWaalsContact CA-O 3.27Å; G362-F367 WeakPolarHBondContact CA-O 3.42Å; G362-S368 WeakPolarHBondContact O-CB 3.36Å; G362-S368 PolarHBondContact O-OG 3.43Å
363L90.1Very high90.2Very high107 Ų10748.6 Ų48.656%0.5626%0.255SS*.SBendtrans-94-47.4173.9-61.6-178.6000111.5D361 Y388D361-L363 VanDerWaalsContact C-N 3.32Å; D361-L363 WeakPolarHBondContact OD1-CB 3.35Å; D361-L363 PolarHBondContact OD1-N 3.06Å; L363-Y388 HydrophobicContact CD1-CE1 3.68Å; L363-Y388 VanDerWaalsContact CD1-OH 3.26Å; L363-Y388 WeakPolarHBondContact CD1-OH 3.42Å; L363-Y388 HydrophobicContact CG-CE1 3.94Å
364K88.3Confident88.1Confident155 Ų15555 Ų5567%0.67429%0.29SS*.SBendtrans-93.7-34.6-173.2-66.1-178.7-175.7175.90113.8D361D361-K364 PolarHBondContact OD1-N 3.2Å
365Y92.8Very high85.8Confident75 Ų7562.5 Ų62.529%0.29432%0.323SS..SBendtrans-133134.9-169-51.5-69000110.7F109 R359 Y360F109-Y365 HydrophobicContact CD2-CD1 4.21Å; F109-Y365 AromaticContact CE2-CD1 3.74Å; F109-Y365 HydrophobicContact CE2-CD1 3.74Å; F109-Y365 HydrophobicContact CE2-CE1 4.37Å; F109-Y365 HydrophobicContact CZ-CD1 4.21Å; R359-Y365 HydrophobicContact CB-CE2 4.07Å; R359-Y365 HydrophobicContact CG-CD2 4.17Å; R359-Y365 HydrophobicContact CG-CE2 3.92Å; R359-Y365 WeakPolarHBondContact O-CD2 3.47Å; Y360-Y365 AromaticContact CD1-CD2 3.99Å; Y360-Y365 HydrophobicContact CD1-CD2 3.99Å; Y360-Y365 HydrophobicContact CD1-CG 4.18Å; Y360-Y365 HydrophobicContact CE1-CD2 4.17Å; Y360-Y365 HydrophobicContact CE1-CG 4.25Å
366G93.6Very high83.6Confident12 Ų1268.8 Ų68.812%0.12434%0.344CS..SBendtrans62-137.6158.300000116.5S105 N108S105-G366 CarbonylContact O-C 3.45Å; S105-G366 WeakPolarHBondContact O-CA 3.45Å; N108-G366 WeakPolarHBondContact OD1-CA 3.25Å; N108-G366 PolarHBondContact OD1-O 3.36Å; N108-G366 VanDerWaalsContact OD1-O 3.14Å
367F93.7Very high81.4Confident8 Ų877.1 Ų77.14%0.03538%0.383CS..  trans-62.1141.3-177.4172.6-100.5000111.7K104 S105 N108 G362 L372 T391 L394K104-F367 WeakPolarHBondContact O-CB 3.34Å; S105-F367 PolarHBondContact O-N 3.47Å; N108-F367 PolarHBondContact OD1-N 3.45Å; G362-F367 VanDerWaalsContact CA-O 3.27Å; G362-F367 WeakPolarHBondContact CA-O 3.42Å; F367-L372 HydrophobicContact CE2-CD1 3.55Å; F367-L372 HydrophobicContact CE2-CG 4.22Å; F367-L372 HydrophobicContact CZ-CD1 3.51Å; F367-T391 HydrophobicContact CD1-CG2 3.93Å; F367-T391 HydrophobicContact CE1-CG2 4.32Å; F367-T391 WeakPolarHBondContact O-CG2 3.35Å; F367-L394 HydrophobicContact CE1-CB 4.04Å; F367-L394 HydrophobicContact CZ-CB 4.22Å
368S92.5Very high79.5Confident8 Ų881.3 Ų81.36%0.05641%0.405CS..  trans-145.2126.7179.8-168.90000110.1G362 T370 K371G362-S368 WeakPolarHBondContact O-CB 3.36Å; G362-S368 PolarHBondContact O-OG 3.43Å; S368-T370 PolarHBondContact O-N 2.86Å; S368-T370 PolarHBondContact OG-OG1 2.96Å; S368-K371 PolarHBondContact O-N 3.06Å; S368-K371 VanDerWaalsContact O-N 3.14Å
369I88.8Confident77.9Confident21 Ų2182.2 Ų82.211%0.10841%0.409CS..G310 helixtrans-61-30-179.9-167.654.7000112.5K371 L372 L381 Q387 A390 T391 L394I369-K371 PolarHBondContact O-N 3.34Å; I369-L372 HydrophobicContact CD1-CB 4.42Å; I369-L372 HydrophobicContact CD1-CD1 3.74Å; I369-L372 WeakPolarHBondContact O-CB 3.49Å; I369-L372 PolarHBondContact O-N 2.93Å; I369-L381 HydrophobicContact CG1-CD2 4.16Å; I369-L381 HydrophobicContact CG2-CD2 3.8Å; I369-Q387 HydrophobicContact CG2-CB 4.49Å; I369-A390 HydrophobicContact CG1-CB 4.22Å; I369-A390 HydrophobicContact CG2-CB 4.42Å; I369-T391 VanDerWaalsContact CG2-OG1 3.29Å; I369-T391 WeakPolarHBondContact CG2-OG1 3.49Å; I369-T391 PolarHBondContact N-OG1 3.04Å; I369-L394 HydrophobicContact CD1-CD1 3.55Å
370T82.6Confident76.1Confident56 Ų5683 Ų8334%0.34442%0.419SS..G310 helixtrans-66.8-19.5-179.560.20000113S368 S373 Q387S368-T370 PolarHBondContact O-N 2.86Å; S368-T370 PolarHBondContact OG-OG1 2.96Å; T370-S373 PolarHBondContact O-OG 2.94Å; T370-Q387 HydrophobicContact CG2-CG 4.32Å
371K79.6Confident74.6Confident149 Ų14983.7 Ų83.765%0.64842%0.424SS*.G310 helixtrans-85.9-13.3175.6-65.3-179.5179.4172.70113.3S368 I369S368-K371 PolarHBondContact O-N 3.06Å; S368-K371 VanDerWaalsContact O-N 3.14Å; I369-K371 PolarHBondContact O-N 3.34Å
372L74.5Confident73.7Confident103 Ų10392.1 Ų92.154%0.53945%0.454SS..THydrogen-bonded Turntrans-87-29.4175.9-75168.9000112.4F367 I369 N374F367-L372 HydrophobicContact CE2-CD1 3.55Å; F367-L372 HydrophobicContact CE2-CG 4.22Å; F367-L372 HydrophobicContact CZ-CD1 3.51Å; I369-L372 HydrophobicContact CD1-CB 4.42Å; I369-L372 HydrophobicContact CD1-CD1 3.74Å; I369-L372 WeakPolarHBondContact O-CB 3.49Å; I369-L372 PolarHBondContact O-N 2.93Å; L372-N374 VanDerWaalsContact C-N 3.34Å; L372-N374 PolarHBondContact O-N 3.08Å
373S64.4Low73.4Confident53 Ų5395.6 Ų95.637%0.37147%0.471SS..  trans-74.186179.359.90000110.5T370 H375T370-S373 PolarHBondContact O-OG 2.94Å; S373-H375 PolarHBondContact O-N 3.34Å
374N54.2Low73.3Confident135 Ų13593.2 Ų93.272%0.72246%0.463SS*.  trans-66.5121.8153.4-71.8-19.9000106.4L372L372-N374 VanDerWaalsContact C-N 3.34Å; L372-N374 PolarHBondContact O-N 3.08Å
375H49.2Very low73.3Confident161 Ų16190.8 Ų90.875%0.74546%0.461SS*.SBendtrans91.7138.1172.9-50.8-73.6000118S373 E377S373-H375 PolarHBondContact O-N 3.34Å; H375-E377 PolarHBondContact O-N 3.39Å
376H49.2Very low73.2Confident204 Ų20489.6 Ų89.694%0.94446%0.462SS*.THydrogen-bonded Turntrans-55.613.3-176.2-80.5-85.4000117.4
377E50.9Low73Confident180 Ų18091.2 Ų91.284%0.84147%0.466SS*.THydrogen-bonded Turntrans-99.7-11-165.3-71.2-162.5154.700116.4H375 S379H375-E377 PolarHBondContact O-N 3.39Å; E377-S379 PolarHBondContact O-N 3.1Å
378D57.5Low73Confident88 Ų8894.6 Ų94.647%0.47148%0.479SS..  trans-88.784.3-178.3-133.3-18.6000112.6L380 L381D378-L380 PolarHBondContact O-N 3.26Å; D378-L381 HydrophobicContact CB-CD1 4.18Å; D378-L381 HydrophobicContact CB-CG 4.29Å; D378-L381 PolarHBondContact O-N 3.27Å
379S60.9Low72.9Confident69 Ų6997.4 Ų97.448%0.48350%0.499SS..G310 helixtrans-44.6-28.5169.4165.90000113E377 L381 R382E377-S379 PolarHBondContact O-N 3.1Å; S379-L381 VanDerWaalsContact C-N 3.32Å; S379-L381 PolarHBondContact O-N 2.91Å; S379-R382 PolarHBondContact O-NE 2.98Å; S379-R382 PolarHBondContact OG-NH2 3.3Å
380L56.8Low73.1Confident116 Ų11697.6 Ų97.661%0.60750%0.504SS*.G310 helixtrans-66.5-26.8-179.7-65172.8000113.5D378 R382 T386D378-L380 PolarHBondContact O-N 3.26Å; L380-R382 VanDerWaalsContact C-N 3.31Å; L380-R382 PolarHBondContact O-N 2.74Å; L380-T386 WeakPolarHBondContact O-CB 3.15Å; L380-T386 WeakPolarHBondContact O-CG2 3.49Å
381L64.3Low73.7Confident26 Ų2695.2 Ų95.214%0.13649%0.489CS..G310 helixtrans-89.113.7-177.6-63.7175.2000113.8I369 D378 S379 Q387I369-L381 HydrophobicContact CG1-CD2 4.16Å; I369-L381 HydrophobicContact CG2-CD2 3.8Å; D378-L381 HydrophobicContact CB-CD1 4.18Å; D378-L381 HydrophobicContact CB-CG 4.29Å; D378-L381 PolarHBondContact O-N 3.27Å; S379-L381 VanDerWaalsContact C-N 3.32Å; S379-L381 PolarHBondContact O-N 2.91Å; L381-Q387 HydrophobicContact CB-CG 4.31Å; L381-Q387 HydrophobicContact CD2-CG 4.05Å; L381-Q387 PolarHBondContact O-NE2 2.97Å
382R73Confident74.4Confident202 Ų20291.1 Ų91.176%0.76247%0.47SS*.G310 helixtrans-76.4-19.4-177.2-75.1-168.1-86-157-2.4115.2S379 L380S379-R382 PolarHBondContact O-NE 2.98Å; S379-R382 PolarHBondContact OG-NH2 3.3Å; L380-R382 VanDerWaalsContact C-N 3.31Å; L380-R382 PolarHBondContact O-N 2.74Å
383N85.1Confident75.4Confident79 Ų7989.4 Ų89.442%0.42247%0.466SS..SBendtrans-117147.9178.179.261.5000111.4V385 T386 Q387N383-V385 VanDerWaalsContact C-N 3.31Å; N383-V385 PolarHBondContact O-N 2.98Å; N383-V385 PolarHBondContact OD1-N 2.81Å; N383-V385 VanDerWaalsContact OD1-N 3.14Å; N383-T386 PolarHBondContact ND2-OG1 3.45Å; N383-T386 VanDerWaalsContact ND2-OG1 3.07Å; N383-T386 PolarHBondContact O-N 3.08Å; N383-T386 WeakPolarHBondContact OD1-CB 3.3Å; N383-T386 PolarHBondContact OD1-N 2.86Å; N383-T386 PolarHBondContact OD1-OG1 3.47Å; N383-T386 VanDerWaalsContact OD1-OG1 3.07Å; N383-Q387 WeakPolarHBondContact O-CG 3.32Å; N383-Q387 PolarHBondContact O-N 2.85Å
384S87.4Confident76.8Confident58 Ų5891.3 Ų91.341%0.40647%0.472SS..Hα-helixtrans-63.8-34-176.351.40000113.1Q387 Y388S384-Q387 PolarHBondContact O-N 3.43Å; S384-Y388 WeakPolarHBondContact O-CB 3.26Å; S384-Y388 VanDerWaalsContact O-CD1 3.22Å; S384-Y388 WeakPolarHBondContact O-CD1 3.18Å; S384-Y388 WeakPolarHBondContact O-CD2 3.3Å; S384-Y388 PolarHBondContact O-N 3.25Å
385V89.4Confident78.8Confident104 Ų10485 Ų8563%0.6344%0.438SS*.Hα-helixtrans-63.3-47-179.2179.30000111.1N383 Q387 Y388 S389N383-V385 VanDerWaalsContact C-N 3.31Å; N383-V385 PolarHBondContact O-N 2.98Å; N383-V385 PolarHBondContact OD1-N 2.81Å; N383-V385 VanDerWaalsContact OD1-N 3.14Å; V385-Q387 VanDerWaalsContact C-N 3.35Å; V385-Y388 PolarHBondContact O-N 3.29Å; V385-S389 WeakPolarHBondContact O-CB 3.45Å; V385-S389 PolarHBondContact O-N 3.34Å
386T89.6Confident81.1Confident50 Ų5077.8 Ų77.831%0.30741%0.405SS..Hα-helixtrans-65.4-39.6177.5-56.60000110.9L380 N383 S389 A390L380-T386 WeakPolarHBondContact O-CB 3.15Å; L380-T386 WeakPolarHBondContact O-CG2 3.49Å; N383-T386 PolarHBondContact ND2-OG1 3.45Å; N383-T386 VanDerWaalsContact ND2-OG1 3.07Å; N383-T386 PolarHBondContact O-N 3.08Å; N383-T386 WeakPolarHBondContact OD1-CB 3.3Å; N383-T386 PolarHBondContact OD1-N 2.86Å; N383-T386 PolarHBondContact OD1-OG1 3.47Å; N383-T386 VanDerWaalsContact OD1-OG1 3.07Å; T386-S389 PolarHBondContact O-N 2.9Å; T386-A390 VanDerWaalsContact O-CB 3.27Å; T386-A390 WeakPolarHBondContact O-CB 3.29Å; T386-A390 PolarHBondContact O-N 3.42Å
387Q89.7Confident83.3Confident45 Ų4569.2 Ų69.221%0.2137%0.371CS..Hα-helixtrans-61.4-47.2175.2-70176.9-20.700112.3I369 T370 L381 N383 S384 V385 T391I369-Q387 HydrophobicContact CG2-CB 4.49Å; T370-Q387 HydrophobicContact CG2-CG 4.32Å; L381-Q387 HydrophobicContact CB-CG 4.31Å; L381-Q387 HydrophobicContact CD2-CG 4.05Å; L381-Q387 PolarHBondContact O-NE2 2.97Å; N383-Q387 WeakPolarHBondContact O-CG 3.32Å; N383-Q387 PolarHBondContact O-N 2.85Å; S384-Q387 PolarHBondContact O-N 3.43Å; V385-Q387 VanDerWaalsContact C-N 3.35Å; Q387-T391 VanDerWaalsContact O-CB 3.3Å; Q387-T391 WeakPolarHBondContact O-CB 3.34Å; Q387-T391 PolarHBondContact O-N 3.14Å; Q387-T391 PolarHBondContact O-OG1 3.26Å
388Y92.8Very high85.4Confident79 Ų7967.2 Ų67.231%0.3137%0.367SS..Hα-helixtrans-66-42.7179.9-59.4-12.8000111.2D361 L363 S384 V385 R392D361-Y388 HydrophobicContact CB-CD1 3.73Å; D361-Y388 HydrophobicContact CB-CD2 4.44Å; D361-Y388 HydrophobicContact CB-CE1 4.01Å; D361-Y388 HydrophobicContact CB-CG 3.97Å; D361-Y388 WeakPolarHBondContact O-CD1 3.26Å; L363-Y388 HydrophobicContact CD1-CE1 3.68Å; L363-Y388 VanDerWaalsContact CD1-OH 3.26Å; L363-Y388 WeakPolarHBondContact CD1-OH 3.42Å; L363-Y388 HydrophobicContact CG-CE1 3.94Å; S384-Y388 WeakPolarHBondContact O-CB 3.26Å; S384-Y388 VanDerWaalsContact O-CD1 3.22Å; S384-Y388 WeakPolarHBondContact O-CD1 3.18Å; S384-Y388 WeakPolarHBondContact O-CD2 3.3Å; S384-Y388 PolarHBondContact O-N 3.25Å; V385-Y388 PolarHBondContact O-N 3.29Å; Y388-R392 WeakPolarHBondContact O-CB 3.42Å; Y388-R392 VanDerWaalsContact O-CG 3.28Å; Y388-R392 WeakPolarHBondContact O-CG 3.43Å; Y388-R392 PolarHBondContact O-N 3.15Å
389S92.1Very high87.3Confident67 Ų6764.4 Ų64.447%0.46935%0.353SS..Hα-helixtrans-61.7-51.6176.7-1690000111V385 T386 T391 R392 S393V385-S389 WeakPolarHBondContact O-CB 3.45Å; V385-S389 PolarHBondContact O-N 3.34Å; T386-S389 PolarHBondContact O-N 2.9Å; S389-T391 VanDerWaalsContact C-N 3.33Å; S389-T391 PolarHBondContact O-N 3.39Å; S389-R392 PolarHBondContact O-N 3.42Å; S389-S393 WeakPolarHBondContact O-CB 3.23Å; S389-S393 PolarHBondContact O-N 2.85Å; S389-S393 PolarHBondContact O-OG 2.53Å
390A92.5Very high89Confident26 Ų2661.1 Ų61.122%0.21533%0.33CS..Hα-helixtrans-62.2-40.7-179.300000112.2I369 T386 S393 L394I369-A390 HydrophobicContact CG1-CB 4.22Å; I369-A390 HydrophobicContact CG2-CB 4.42Å; T386-A390 VanDerWaalsContact O-CB 3.27Å; T386-A390 WeakPolarHBondContact O-CB 3.29Å; T386-A390 PolarHBondContact O-N 3.42Å; A390-S393 PolarHBondContact O-N 2.83Å; A390-L394 WeakPolarHBondContact O-CB 3.48Å; A390-L394 WeakPolarHBondContact O-CG 3.44Å; A390-L394 PolarHBondContact O-N 3.32Å
391T94.6Very high91Very high6 Ų658.8 Ų58.84%0.03732%0.316CS..Hα-helixtrans-60.2-47.8176.4-630000111.2F367 I369 Q387 S389 L394 G395F367-T391 HydrophobicContact CD1-CG2 3.93Å; F367-T391 HydrophobicContact CE1-CG2 4.32Å; F367-T391 WeakPolarHBondContact O-CG2 3.35Å; I369-T391 VanDerWaalsContact CG2-OG1 3.29Å; I369-T391 WeakPolarHBondContact CG2-OG1 3.49Å; I369-T391 PolarHBondContact N-OG1 3.04Å; Q387-T391 VanDerWaalsContact O-CB 3.3Å; Q387-T391 WeakPolarHBondContact O-CB 3.34Å; Q387-T391 PolarHBondContact O-N 3.14Å; Q387-T391 PolarHBondContact O-OG1 3.26Å; S389-T391 VanDerWaalsContact C-N 3.33Å; S389-T391 PolarHBondContact O-N 3.39Å; T391-L394 PolarHBondContact O-N 3.01Å; T391-G395 WeakPolarHBondContact O-CA 3.35Å; T391-G395 PolarHBondContact O-N 3.26Å
392R95.3Very high92.5Very high62 Ų6259.5 Ų59.523%0.23433%0.329CS..Hα-helixtrans-69.2-39.3179.8-69.4171.863.5175.44.9112.1Y360 Y388 S389 L394 F396Y360-R392 VanDerWaalsContact O-CG 3.25Å; Y360-R392 WeakPolarHBondContact O-CG 3.33Å; Y388-R392 WeakPolarHBondContact O-CB 3.42Å; Y388-R392 VanDerWaalsContact O-CG 3.28Å; Y388-R392 WeakPolarHBondContact O-CG 3.43Å; Y388-R392 PolarHBondContact O-N 3.15Å; S389-R392 PolarHBondContact O-N 3.42Å; R392-L394 VanDerWaalsContact C-N 3.32Å; R392-L394 PolarHBondContact O-N 3.12Å; R392-F396 HydrophobicContact CB-CD2 3.84Å; R392-F396 HydrophobicContact CB-CE2 3.85Å; R392-F396 HydrophobicContact CG-CD2 4.21Å; R392-F396 HydrophobicContact CG-CE2 3.69Å; R392-F396 HydrophobicContact CG-CZ 4.49Å; R392-F396 WeakPolarHBondContact O-CB 3.5Å; R392-F396 WeakPolarHBondContact O-CD2 3.16Å; R392-F396 PolarHBondContact O-N 3.29Å; R392-F396 VanDerWaalsContact O-N 3.14Å
393S95Very high93.6Very high67 Ų6751.3 Ų51.347%0.46930%0.298SS..Hα-helixtrans-63.7-34177.1-670000113.2S389 A390 Q401S389-S393 WeakPolarHBondContact O-CB 3.23Å; S389-S393 PolarHBondContact O-N 2.85Å; S389-S393 PolarHBondContact O-OG 2.53Å; A390-S393 PolarHBondContact O-N 2.83Å; S393-Q401 PolarHBondContact O-NE2 3.31Å
394L94.1Very high94.2Very high93 Ų9348.3 Ų48.349%0.48728%0.282SS..Hα-helixtrans-96.4-18.9-179.4-67.1173000113.9F367 I369 A390 T391 R392F367-L394 HydrophobicContact CE1-CB 4.04Å; F367-L394 HydrophobicContact CZ-CB 4.22Å; I369-L394 HydrophobicContact CD1-CD1 3.55Å; A390-L394 WeakPolarHBondContact O-CB 3.48Å; A390-L394 WeakPolarHBondContact O-CG 3.44Å; A390-L394 PolarHBondContact O-N 3.32Å; T391-L394 PolarHBondContact O-N 3.01Å; R392-L394 VanDerWaalsContact C-N 3.32Å; R392-L394 PolarHBondContact O-N 3.12Å
395G95.2Very high94.7Very high2 Ų253.2 Ų53.22%0.02130%0.296CS..Hα-helixtrans-94.6-25.6-176.100000114.4S103 S105 T391S103-G395 PolarHBondContact OG-O 3.42Å; S105-G395 WeakPolarHBondContact CB-O 3.39Å; S105-G395 PolarHBondContact N-O 2.69Å; T391-G395 WeakPolarHBondContact O-CA 3.35Å; T391-G395 PolarHBondContact O-N 3.26Å
396F97.4Very high95Very high11 Ų1149.8 Ų49.85%0.04828%0.279CS..SBendtrans-104.3139.7-179.3-64.9-38.3000112F137 M357 Y360 R392 V400 Q401 I404F137-F396 HydrophobicContact CD2-CD1 4.44Å; F137-F396 HydrophobicContact CD2-CE1 4.37Å; F137-F396 AromaticContact CE2-CD1 3.76Å; F137-F396 HydrophobicContact CE2-CD1 3.76Å; F137-F396 AromaticContact CE2-CE1 3.49Å; F137-F396 HydrophobicContact CE2-CE1 3.49Å; F137-F396 VanDerWaalsContact CE2-CE1 3.49Å; F137-F396 AromaticContact CZ-CE1 3.93Å; F137-F396 HydrophobicContact CZ-CE1 3.93Å; M357-F396 HydrophobicContact CB-CE2 4.25Å; M357-F396 HydrophobicContact CB-CZ 4.09Å; M357-F396 HydrophobicContact SD-CE1 4.34Å; M357-F396 HydrophobicContact SD-CZ 4.25Å; Y360-F396 HydrophobicContact CD2-CE1 4.15Å; Y360-F396 AromaticContact CD2-CZ 3.82Å; Y360-F396 HydrophobicContact CD2-CZ 3.82Å; Y360-F396 HydrophobicContact CG-CE1 4.34Å; Y360-F396 HydrophobicContact CG-CZ 4.1Å; R392-F396 HydrophobicContact CB-CD2 3.84Å; R392-F396 HydrophobicContact CB-CE2 3.85Å; R392-F396 HydrophobicContact CG-CD2 4.21Å; R392-F396 HydrophobicContact CG-CE2 3.69Å; R392-F396 HydrophobicContact CG-CZ 4.49Å; R392-F396 WeakPolarHBondContact O-CB 3.5Å; R392-F396 WeakPolarHBondContact O-CD2 3.16Å; R392-F396 PolarHBondContact O-N 3.29Å; R392-F396 VanDerWaalsContact O-N 3.14Å; F396-V400 HydrophobicContact CB-CB 4.04Å; F396-V400 HydrophobicContact CB-CG1 3.95Å; F396-V400 HydrophobicContact CD1-CG1 3.85Å; F396-V400 HydrophobicContact CD2-CG1 4.13Å; F396-V400 HydrophobicContact CE1-CG1 4.3Å; F396-V400 HydrophobicContact CG-CB 4.37Å; F396-V400 HydrophobicContact CG-CG1 3.74Å; F396-Q401 HydrophobicContact CB-CG 3.95Å; F396-Q401 PolarHBondContact O-NE2 3.09Å; F396-I404 HydrophobicContact CD2-CD1 3.81Å; F396-I404 HydrophobicContact CE2-CD1 3.78Å
397G96.1Very high95.4Very high23 Ų2347.4 Ų47.424%0.23726%0.264CS..  trans-73.6169168.900000113.7E136 V399 V400 Q401E136-G397 PolarHBondContact OE1-N 2.83Å; E136-G397 WeakPolarHBondContact OE2-CA 3.48Å; E136-G397 PolarHBondContact OE2-N 3.01Å; G397-V399 VanDerWaalsContact C-N 3.26Å; G397-V399 PolarHBondContact O-N 3.48Å; G397-V400 PolarHBondContact O-N 3.31Å; G397-V400 VanDerWaalsContact O-N 3.11Å; G397-Q401 WeakPolarHBondContact O-CG 3.47Å; G397-Q401 PolarHBondContact O-N 3.26Å
398D95.5Very high95.7Very high139 Ų13949.3 Ų49.374%0.74328%0.276SS*.Hα-helixtrans-58.6-35.1-171.6-65.6-19.2000113.4Q401 G402D398-Q401 PolarHBondContact O-N 3.19Å; D398-G402 PolarHBondContact O-N 3.43Å
399V96.5Very high96Very high29 Ų2949.4 Ų49.418%0.17628%0.278CS..Hα-helixtrans-64.3-47.31781760000111.1M139 D145 G397 G402 R403 N464M139-V399 HydrophobicContact CB-CG1 3.81Å; M139-V399 VanDerWaalsContact O-CG1 3.3Å; M139-V399 WeakPolarHBondContact O-CG1 3.42Å; D145-V399 HydrophobicContact CB-CG2 4.38Å; G397-V399 VanDerWaalsContact C-N 3.26Å; G397-V399 PolarHBondContact O-N 3.48Å; V399-G402 PolarHBondContact O-N 2.92Å; V399-R403 WeakPolarHBondContact O-CG 3.33Å; V399-R403 PolarHBondContact O-N 2.93Å; V399-N464 HydrophobicContact CG1-CB 4.05Å; V399-N464 VanDerWaalsContact CG1-CG 3.43Å; V399-N464 WeakPolarHBondContact CG1-ND2 3.49Å; V399-N464 HydrophobicContact CG2-CB 3.92Å
400V97.5Very high96.2Very high0 Ų047.9 Ų47.90%026%0.263CS..Hα-helixtrans-65-44.9179.4179.90000109.8E136 F137 M139 M357 F396 G397 G402 R403 I404E136-V400 HydrophobicContact CB-CG2 4.28Å; E136-V400 HydrophobicContact CG-CG2 3.9Å; E136-V400 WeakPolarHBondContact OE2-CG2 3.39Å; F137-V400 HydrophobicContact CD2-CG1 4.42Å; F137-V400 HydrophobicContact CD2-CG2 4.01Å; M139-V400 HydrophobicContact CE-CG1 4.08Å; M139-V400 HydrophobicContact CE-CG2 4.25Å; M139-V400 HydrophobicContact SD-CB 4.16Å; M139-V400 HydrophobicContact SD-CG1 4.28Å; M139-V400 HydrophobicContact SD-CG2 3.81Å; M357-V400 HydrophobicContact CG-CG1 4.12Å; M357-V400 HydrophobicContact SD-CG1 4.15Å; F396-V400 HydrophobicContact CB-CB 4.04Å; F396-V400 HydrophobicContact CB-CG1 3.95Å; F396-V400 HydrophobicContact CD1-CG1 3.85Å; F396-V400 HydrophobicContact CD2-CG1 4.13Å; F396-V400 HydrophobicContact CE1-CG1 4.3Å; F396-V400 HydrophobicContact CG-CB 4.37Å; F396-V400 HydrophobicContact CG-CG1 3.74Å; G397-V400 PolarHBondContact O-N 3.31Å; G397-V400 VanDerWaalsContact O-N 3.11Å; V400-G402 PolarHBondContact O-N 3.14Å; V400-R403 PolarHBondContact O-N 3.14Å; V400-I404 HydrophobicContact CG1-CD1 3.93Å; V400-I404 WeakPolarHBondContact O-CD1 3.46Å; V400-I404 VanDerWaalsContact O-CG1 3.27Å; V400-I404 WeakPolarHBondContact O-CG1 3.02Å; V400-I404 PolarHBondContact O-N 2.8Å
401Q97Very high96.4Very high67 Ų6749.7 Ų49.731%0.31327%0.268SS..Hα-helixtrans-60.4-45.2176.2-65.3-172.623.200112.1S393 F396 G397 D398 R403 I404 F405S393-Q401 PolarHBondContact O-NE2 3.31Å; F396-Q401 HydrophobicContact CB-CG 3.95Å; F396-Q401 PolarHBondContact O-NE2 3.09Å; G397-Q401 WeakPolarHBondContact O-CG 3.47Å; G397-Q401 PolarHBondContact O-N 3.26Å; D398-Q401 PolarHBondContact O-N 3.19Å; Q401-R403 PolarHBondContact O-N 2.95Å; Q401-I404 PolarHBondContact O-N 3.2Å; Q401-F405 WeakPolarHBondContact O-CB 3.44Å; Q401-F405 PolarHBondContact O-N 3.42Å
402G96.6Very high96.5Very high40 Ų4054.2 Ų54.241%0.41229%0.292SS..Hα-helixtrans-60.9-42.7177.400000112.7D398 V399 V400 F405 A406D398-G402 PolarHBondContact O-N 3.43Å; V399-G402 PolarHBondContact O-N 2.92Å; V400-G402 PolarHBondContact O-N 3.14Å; G402-F405 PolarHBondContact O-N 3.23Å; G402-A406 WeakPolarHBondContact O-CB 3.47Å; G402-A406 PolarHBondContact O-N 3.32Å
403R97Very high96.3Very high31 Ų3160.3 Ų60.312%0.11732%0.315CS..Hα-helixtrans-68.6-36.8176.3-71-172.9-175.4-154.14112.6M139 C349 V353 V399 V400 Q401 G407 N464M139-R403 HydrophobicContact SD-CB 4.34Å; M139-R403 HydrophobicContact SD-CG 4.47Å; C349-R403 PolarHBondContact SG-NH1 3.48Å; V353-R403 HydrophobicContact CB-CB 4.34Å; V353-R403 HydrophobicContact CG1-CB 3.7Å; V399-R403 WeakPolarHBondContact O-CG 3.33Å; V399-R403 PolarHBondContact O-N 2.93Å; V400-R403 PolarHBondContact O-N 3.14Å; Q401-R403 PolarHBondContact O-N 2.95Å; R403-G407 PolarHBondContact O-N 3.21Å; R403-N464 PolarHBondContact NE-OD1 3.13Å; R403-N464 PolarHBondContact NH2-OD1 3.44Å
404I97.3Very high96.2Very high15 Ų1561.8 Ų61.88%0.07732%0.318CS..Hα-helixtrans-60.8-47.1171.7-70.2162.2000110.3V353 M357 F396 V400 Q401 G407 N408V353-I404 HydrophobicContact CG1-CG1 4.12Å; M357-I404 HydrophobicContact CB-CD1 3.69Å; M357-I404 HydrophobicContact CB-CG1 3.87Å; M357-I404 HydrophobicContact CG-CD1 4.11Å; M357-I404 HydrophobicContact CG-CG1 4.11Å; F396-I404 HydrophobicContact CD2-CD1 3.81Å; F396-I404 HydrophobicContact CE2-CD1 3.78Å; V400-I404 HydrophobicContact CG1-CD1 3.93Å; V400-I404 WeakPolarHBondContact O-CD1 3.46Å; V400-I404 VanDerWaalsContact O-CG1 3.27Å; V400-I404 WeakPolarHBondContact O-CG1 3.02Å; V400-I404 PolarHBondContact O-N 2.8Å; Q401-I404 PolarHBondContact O-N 3.2Å; I404-G407 PolarHBondContact O-N 3.04Å; I404-N408 PolarHBondContact O-N 2.97Å; I404-N408 PolarHBondContact O-ND2 2.93Å
405F96.8Very high96.1Very high162 Ų16259.6 Ų59.671%0.71131%0.305SS*.Hα-helixtrans-61.3-50.3-179.8-176.5-94.4000111.6Q401 G402 G407 N408 F409Q401-F405 WeakPolarHBondContact O-CB 3.44Å; Q401-F405 PolarHBondContact O-N 3.42Å; G402-F405 PolarHBondContact O-N 3.23Å; F405-G407 VanDerWaalsContact C-N 3.31Å; F405-G407 PolarHBondContact O-N 3.3Å; F405-N408 PolarHBondContact O-N 2.99Å; F405-F409 PolarHBondContact O-N 3.4Å
406A96.5Very high95.9Very high32 Ų3263.1 Ų63.126%0.26432%0.321SS..Hα-helixtrans-60.2-41176.200000112A350 G402 F409 F410A350-A406 HydrophobicContact CB-CB 4.05Å; G402-A406 WeakPolarHBondContact O-CB 3.47Å; G402-A406 PolarHBondContact O-N 3.32Å; A406-F409 WeakPolarHBondContact O-CB 3.4Å; A406-F409 PolarHBondContact O-N 3.21Å; A406-F410 HydrophobicContact CB-CE2 4.18Å; A406-F410 WeakPolarHBondContact O-CD2 3.28Å; A406-F410 WeakPolarHBondContact O-CG 3.37Å; A406-F410 PolarHBondContact O-N 2.83Å
407G97.6Very high95.6Very high0 Ų067.2 Ų67.20%035%0.35CS..Hα-helixtrans-62.1-47.5177.800000112.7A350 R403 I404 F405 F409 F410 L411A350-G407 WeakPolarHBondContact O-CA 3.49Å; R403-G407 PolarHBondContact O-N 3.21Å; I404-G407 PolarHBondContact O-N 3.04Å; F405-G407 VanDerWaalsContact C-N 3.31Å; F405-G407 PolarHBondContact O-N 3.3Å; G407-F409 VanDerWaalsContact C-N 3.28Å; G407-F409 PolarHBondContact O-N 3.4Å; G407-F410 PolarHBondContact O-N 2.83Å; G407-L411 WeakPolarHBondContact O-CB 3.41Å; G407-L411 VanDerWaalsContact O-CG 3.23Å; G407-L411 WeakPolarHBondContact O-CG 3.49Å; G407-L411 PolarHBondContact O-N 3.39Å
408N97.2Very high95.4Very high84 Ų8474.6 Ų74.645%0.44937%0.37SS..Hα-helixtrans-59-40.8175-74.4-25.5000111.6I404 F405 L411 L412I404-N408 PolarHBondContact O-N 2.97Å; I404-N408 PolarHBondContact O-ND2 2.93Å; F405-N408 PolarHBondContact O-N 2.99Å; N408-L411 PolarHBondContact O-N 3.21Å; N408-L412 PolarHBondContact O-N 3.31Å
409F97.4Very high95.4Very high82 Ų8271.3 Ų71.336%0.3635%0.351SS..Hα-helixtrans-59.3-50.1174.4171.4-96.2000111.9F405 A406 G407 L411 L412 Q415F405-F409 PolarHBondContact O-N 3.4Å; A406-F409 WeakPolarHBondContact O-CB 3.4Å; A406-F409 PolarHBondContact O-N 3.21Å; G407-F409 VanDerWaalsContact C-N 3.28Å; G407-F409 PolarHBondContact O-N 3.4Å; F409-L411 PolarHBondContact O-N 3.29Å; F409-L412 HydrophobicContact CD2-CD1 4.31Å; F409-L412 WeakPolarHBondContact O-CB 3.45Å; F409-L412 PolarHBondContact O-N 2.99Å; F409-L412 VanDerWaalsContact O-N 3.16Å; F409-Q415 HydrophobicContact CD2-CG 4.19Å; F409-Q415 HydrophobicContact CE1-CB 4.4Å; F409-Q415 HydrophobicContact CE1-CG 4.07Å; F409-Q415 HydrophobicContact CE2-CG 3.73Å; F409-Q415 HydrophobicContact CZ-CB 4.45Å; F409-Q415 HydrophobicContact CZ-CG 3.66Å; F409-Q415 WeakPolarHBondContact O-CB 3.28Å; F409-Q415 WeakPolarHBondContact O-CG 2.96Å
410F97.1Very high95.4Very high35 Ų3570 Ų7015%0.15434%0.343CS..Hα-helixtrans-66.8-20.9179.1-64.2-48.9000113.8V347 A350 T351 A406 G407 Q416 H419V347-F410 HydrophobicContact CB-CE2 4.49Å; V347-F410 HydrophobicContact CG1-CD1 4.41Å; V347-F410 HydrophobicContact CG1-CD2 4.21Å; V347-F410 HydrophobicContact CG1-CG 4.15Å; V347-F410 HydrophobicContact CG2-CE1 4.28Å; V347-F410 HydrophobicContact CG2-CE2 4.23Å; V347-F410 HydrophobicContact CG2-CZ 4.01Å; A350-F410 HydrophobicContact CB-CD2 4.03Å; A350-F410 HydrophobicContact CB-CE2 4.11Å; T351-F410 HydrophobicContact CG2-CB 3.52Å; T351-F410 HydrophobicContact CG2-CD2 4.41Å; T351-F410 HydrophobicContact CG2-CG 4.41Å; A406-F410 HydrophobicContact CB-CE2 4.18Å; A406-F410 WeakPolarHBondContact O-CD2 3.28Å; A406-F410 WeakPolarHBondContact O-CG 3.37Å; A406-F410 PolarHBondContact O-N 2.83Å; G407-F410 PolarHBondContact O-N 2.83Å; F410-Q416 WeakPolarHBondContact O-CA 3.3Å; F410-Q416 PolarHBondContact O-N 2.74Å; F410-H419 HydrophobicContact CD1-CB 3.7Å; F410-H419 HydrophobicContact CE1-CB 4.04Å
411L96.3Very high95.3Very high63 Ų6371.5 Ų71.533%0.3335%0.354SS..Hα-helixtrans-86.4-10.7176.2-70.3171000113.5T351 A354 G407 N408 F409 R413 L420T351-L411 HydrophobicContact CG2-CD2 4.15Å; T351-L411 HydrophobicContact CG2-CG 4.09Å; A354-L411 HydrophobicContact CB-CD1 4.21Å; G407-L411 WeakPolarHBondContact O-CB 3.41Å; G407-L411 VanDerWaalsContact O-CG 3.23Å; G407-L411 WeakPolarHBondContact O-CG 3.49Å; G407-L411 PolarHBondContact O-N 3.39Å; N408-L411 PolarHBondContact O-N 3.21Å; F409-L411 PolarHBondContact O-N 3.29Å; L411-R413 PolarHBondContact O-N 3.31Å; L411-L420 HydrophobicContact CD2-CD2 4.39Å
412L96.4Very high95.3Very high101 Ų10170.2 Ų70.253%0.52936%0.356SS..SBendtrans-59.9134.9170-65.2174.7000109.4N408 F409 D414 Q415 Q416N408-L412 PolarHBondContact O-N 3.31Å; F409-L412 HydrophobicContact CD2-CD1 4.31Å; F409-L412 WeakPolarHBondContact O-CB 3.45Å; F409-L412 PolarHBondContact O-N 2.99Å; F409-L412 VanDerWaalsContact O-N 3.16Å; L412-D414 VanDerWaalsContact C-N 3.31Å; L412-D414 PolarHBondContact O-N 3.02Å; L412-D414 VanDerWaalsContact O-N 3.09Å; L412-Q415 HydrophobicContact CB-CB 4.25Å; L412-Q415 HydrophobicContact CB-CG 4.1Å; L412-Q415 HydrophobicContact CD1-CG 4.49Å; L412-Q415 CarbonylContact O-C 3.17Å; L412-Q415 WeakPolarHBondContact O-CA 3.41Å; L412-Q415 PolarHBondContact O-N 2.65Å; L412-Q416 WeakPolarHBondContact O-CB 3.43Å; L412-Q416 PolarHBondContact O-N 3.32Å
413R92Very high95.3Very high191 Ų19168.5 Ų68.572%0.72134%0.338SS*.Hα-helixtrans-42-53-173.6-176.1-175.467.3-164-2.7113.9L411 Q416 C417L411-R413 PolarHBondContact O-N 3.31Å; R413-Q416 PolarHBondContact O-N 2.69Å; R413-C417 PolarHBondContact O-N 2.89Å
414D91.8Very high95.3Very high98 Ų9873.4 Ų73.452%0.52436%0.356SS..Hα-helixtrans-73.3-31.4-174.7-56.5-12.8000111.8L412 R418L412-D414 VanDerWaalsContact C-N 3.31Å; L412-D414 PolarHBondContact O-N 3.02Å; L412-D414 VanDerWaalsContact O-N 3.09Å; D414-R418 WeakPolarHBondContact O-CG 3.45Å
415Q93.1Very high95.3Very high47 Ų4781 Ų8122%0.2238%0.384CS..Hα-helixtrans-77.4-32.3176.5-58.5-55.1-25.400112.3F409 L412 C417 R418 H419F409-Q415 HydrophobicContact CD2-CG 4.19Å; F409-Q415 HydrophobicContact CE1-CB 4.4Å; F409-Q415 HydrophobicContact CE1-CG 4.07Å; F409-Q415 HydrophobicContact CE2-CG 3.73Å; F409-Q415 HydrophobicContact CZ-CB 4.45Å; F409-Q415 HydrophobicContact CZ-CG 3.66Å; F409-Q415 WeakPolarHBondContact O-CB 3.28Å; F409-Q415 WeakPolarHBondContact O-CG 2.96Å; L412-Q415 HydrophobicContact CB-CB 4.25Å; L412-Q415 HydrophobicContact CB-CG 4.1Å; L412-Q415 HydrophobicContact CD1-CG 4.49Å; L412-Q415 CarbonylContact O-C 3.17Å; L412-Q415 WeakPolarHBondContact O-CA 3.41Å; L412-Q415 PolarHBondContact O-N 2.65Å; Q415-C417 VanDerWaalsContact C-N 3.34Å; Q415-C417 PolarHBondContact O-N 2.84Å; Q415-R418 PolarHBondContact O-N 2.93Å; Q415-R418 VanDerWaalsContact O-N 3.15Å; Q415-H419 PolarHBondContact O-N 3.05Å; Q415-H419 PolarHBondContact OE1-CD2 3.15Å; Q415-H419 PolarHBondContact OE1-NE2 3.26Å
416Q91.1Very high95.4Very high75 Ų7575.7 Ų75.735%0.3536%0.362SS..Iπ-helixtrans-61-44.7176.7-167.2-173.3-2.800110.8F410 L412 R413 R418 L420 A421F410-Q416 WeakPolarHBondContact O-CA 3.3Å; F410-Q416 PolarHBondContact O-N 2.74Å; L412-Q416 WeakPolarHBondContact O-CB 3.43Å; L412-Q416 PolarHBondContact O-N 3.32Å; R413-Q416 PolarHBondContact O-N 2.69Å; Q416-R418 VanDerWaalsContact C-N 3.29Å; Q416-R418 PolarHBondContact O-N 3.35Å; Q416-L420 HydrophobicContact CG-CB 4.07Å; Q416-L420 HydrophobicContact CG-CD2 3.79Å; Q416-L420 HydrophobicContact CG-CG 4.44Å; Q416-L420 PolarHBondContact O-N 3.35Å; Q416-A421 PolarHBondContact O-N 3.22Å
417C90.2Very high95.5Very high97 Ų9777.2 Ų77.266%0.65536%0.361SS*.Iπ-helixtrans-63.3-33.9175.5-69.70000112.8R413 Q415 A421R413-C417 PolarHBondContact O-N 2.89Å; Q415-C417 VanDerWaalsContact C-N 3.34Å; Q415-C417 PolarHBondContact O-N 2.84Å; C417-A421 WeakPolarHBondContact O-CB 3.23Å
418R93.3Very high95.5Very high179 Ų17983.4 Ų83.468%0.67539%0.385SS*.Iπ-helixtrans-84.1-51-177.4-70.4179.465.4139.92.3113.2D414 Q415 Q416 A422D414-R418 WeakPolarHBondContact O-CG 3.45Å; Q415-R418 PolarHBondContact O-N 2.93Å; Q415-R418 VanDerWaalsContact O-N 3.15Å; Q416-R418 VanDerWaalsContact C-N 3.29Å; Q416-R418 PolarHBondContact O-N 3.35Å; R418-A422 WeakPolarHBondContact O-CB 3.39Å
419H95.4Very high95.6Very high70 Ų7081.6 Ų81.632%0.32438%0.375SS..Iπ-helixtrans-100.5-53.2-168.8-64.3-68.8000112.4F410 Q415 A422 A423F410-H419 HydrophobicContact CD1-CB 3.7Å; F410-H419 HydrophobicContact CE1-CB 4.04Å; Q415-H419 PolarHBondContact O-N 3.05Å; Q415-H419 PolarHBondContact OE1-CD2 3.15Å; Q415-H419 PolarHBondContact OE1-NE2 3.26Å; H419-A422 PolarHBondContact O-N 2.97Å; H419-A423 WeakPolarHBondContact O-CB 3.28Å; H419-A423 PolarHBondContact O-N 3.11Å
420L95.5Very high95.6Very high2 Ų277.7 Ų77.71%0.0136%0.358CS..Iπ-helixtrans-67.1-43-176.5-178.357.6000111.8V347 L348 T351 L411 Q416 A422 A423 R424V347-L420 HydrophobicContact CG1-CD1 4.22Å; L348-L420 HydrophobicContact CD2-CD1 3.79Å; T351-L420 HydrophobicContact CG2-CD1 4.1Å; T351-L420 HydrophobicContact CG2-CD2 4.25Å; L411-L420 HydrophobicContact CD2-CD2 4.39Å; Q416-L420 HydrophobicContact CG-CB 4.07Å; Q416-L420 HydrophobicContact CG-CD2 3.79Å; Q416-L420 HydrophobicContact CG-CG 4.44Å; Q416-L420 PolarHBondContact O-N 3.35Å; L420-A422 VanDerWaalsContact C-N 3.34Å; L420-A422 PolarHBondContact O-N 3.23Å; L420-A423 PolarHBondContact O-N 3.39Å; L420-R424 HydrophobicContact CD1-CG 4.44Å; L420-R424 WeakPolarHBondContact O-CG 3.34Å; L420-R424 PolarHBondContact O-N 2.96Å
421A96.1Very high95.7Very high30 Ų3080.3 Ų80.325%0.24837%0.369CS..Hα-helixtrans-63.9-39.317600000112.1Q416 C417 R424 R425Q416-A421 PolarHBondContact O-N 3.22Å; C417-A421 WeakPolarHBondContact O-CB 3.23Å; A421-R424 PolarHBondContact O-N 3.25Å; A421-R425 WeakPolarHBondContact O-CG 3.27Å; A421-R425 PolarHBondContact O-N 3.46Å; A421-R425 VanDerWaalsContact O-N 3.08Å
422A96.2Very high95.8Very high41 Ų4181.3 Ų81.334%0.33937%0.372SS..Hα-helixtrans-65.3-45.117500000111.8R418 H419 L420 R424 R425 L426R418-A422 WeakPolarHBondContact O-CB 3.39Å; H419-A422 PolarHBondContact O-N 2.97Å; L420-A422 VanDerWaalsContact C-N 3.34Å; L420-A422 PolarHBondContact O-N 3.23Å; A422-R424 VanDerWaalsContact C-N 3.32Å; A422-R424 PolarHBondContact O-N 3.31Å; A422-R425 PolarHBondContact O-N 3.06Å; A422-R425 VanDerWaalsContact O-N 3.15Å; A422-L426 PolarHBondContact O-N 2.95Å
423A97.5Very high95.9Very high4 Ų477.4 Ų77.43%0.03335%0.352CS..Hα-helixtrans-58.4-43.5175.800000111.5V347 H419 L420 R425 L426 W427V347-A423 HydrophobicContact CB-CB 3.89Å; V347-A423 HydrophobicContact CG1-CB 3.81Å; V347-A423 HydrophobicContact CG2-CB 4.46Å; H419-A423 WeakPolarHBondContact O-CB 3.28Å; H419-A423 PolarHBondContact O-N 3.11Å; L420-A423 PolarHBondContact O-N 3.39Å; A423-R425 PolarHBondContact O-N 3.29Å; A423-L426 PolarHBondContact O-N 2.65Å; A423-W427 WeakPolarHBondContact O-CB 3.38Å; A423-W427 PolarHBondContact O-N 2.96Å
424R97Very high96.2Very high134 Ų13468.3 Ų68.351%0.50632%0.317SS..Hα-helixtrans-63.6-37.2175.6-72.8172.7176.1172.2-2113.3L348 L420 A421 A422 R428L348-R424 HydrophobicContact CD2-CG 4.08Å; L420-R424 HydrophobicContact CD1-CG 4.44Å; L420-R424 WeakPolarHBondContact O-CG 3.34Å; L420-R424 PolarHBondContact O-N 2.96Å; A421-R424 PolarHBondContact O-N 3.25Å; A422-R424 VanDerWaalsContact C-N 3.32Å; A422-R424 PolarHBondContact O-N 3.31Å; R424-R428 PolarHBondContact O-N 2.97Å
425R97.7Very high96.5Very high175 Ų17566.7 Ų66.766%0.6631%0.308SS*.Hα-helixtrans-67.2-46.3175.7-71170.9-174.1-178.92.3111.5A421 A422 A423 W427 R428 L429A421-R425 WeakPolarHBondContact O-CG 3.27Å; A421-R425 PolarHBondContact O-N 3.46Å; A421-R425 VanDerWaalsContact O-N 3.08Å; A422-R425 PolarHBondContact O-N 3.06Å; A422-R425 VanDerWaalsContact O-N 3.15Å; A423-R425 PolarHBondContact O-N 3.29Å; R425-W427 VanDerWaalsContact C-N 3.32Å; R425-R428 WeakPolarHBondContact O-CB 3.34Å; R425-R428 PolarHBondContact O-N 3.01Å; R425-L429 PolarHBondContact O-N 2.96Å
426L97.8Very high96.8Very high49 Ų4971.5 Ų71.526%0.25733%0.328SS..Hα-helixtrans-64.3-38.4175.6-75.9169.2000111.7M340 V344 A422 A423 R428 L429 I430M340-L426 HydrophobicContact CE-CD1 4.38Å; V344-L426 HydrophobicContact CG2-CB 3.51Å; V344-L426 HydrophobicContact CG2-CD1 4.09Å; V344-L426 HydrophobicContact CG2-CG 4.46Å; A422-L426 PolarHBondContact O-N 2.95Å; A423-L426 PolarHBondContact O-N 2.65Å; L426-R428 VanDerWaalsContact C-N 3.31Å; L426-R428 PolarHBondContact O-N 3Å; L426-L429 HydrophobicContact CD2-CD1 4.37Å; L426-L429 WeakPolarHBondContact O-CB 3.38Å; L426-L429 PolarHBondContact O-N 3.11Å; L426-L429 VanDerWaalsContact O-N 3.09Å; L426-I430 WeakPolarHBondContact O-CG1 3.44Å; L426-I430 PolarHBondContact O-N 3.31Å
427W98.3Very high97.1Very high65 Ų6568.4 Ų68.425%0.24631%0.314CS..Hα-helixtrans-56.7-45.7175-178.717.1000111.7T226 L227 V344 L348 A423 R425 L429 I430 K431 L480T226-W427 HydrophobicContact CG2-CH2 3.1Å; T226-W427 HydrophobicContact CG2-CZ2 3.75Å; T226-W427 HydrophobicContact CG2-CZ3 3.87Å; L227-W427 HydrophobicContact CD2-CZ2 4.39Å; V344-W427 HydrophobicContact CG1-CB 3.73Å; V344-W427 HydrophobicContact CG1-CG 4.35Å; L348-W427 HydrophobicContact CD1-CB 4.37Å; L348-W427 HydrophobicContact CD1-CD2 3.78Å; L348-W427 HydrophobicContact CD1-CE3 3.61Å; L348-W427 HydrophobicContact CD1-CG 4.1Å; L348-W427 HydrophobicContact CD1-CZ3 4.34Å; L348-W427 HydrophobicContact CD2-CE3 4.39Å; A423-W427 WeakPolarHBondContact O-CB 3.38Å; A423-W427 PolarHBondContact O-N 2.96Å; R425-W427 VanDerWaalsContact C-N 3.32Å; W427-L429 VanDerWaalsContact C-N 3.33Å; W427-L429 PolarHBondContact O-N 3.37Å; W427-I430 PolarHBondContact O-N 2.83Å; W427-K431 PolarHBondContact O-N 3.06Å; W427-L480 HydrophobicContact CD2-CD2 4.5Å; W427-L480 HydrophobicContact CG-CD2 4.19Å; W427-L480 VanDerWaalsContact NE1-C 3.33Å; W427-L480 PolarHBondContact NE1-O 2.84Å
428R98.3Very high97.5Very high129 Ų12965 Ų6549%0.48729%0.288SS..Hα-helixtrans-57.7-44.2173.7-179.9-178.658.474.55.9111.9R424 R425 L426 K431 E432R424-R428 PolarHBondContact O-N 2.97Å; R425-R428 WeakPolarHBondContact O-CB 3.34Å; R425-R428 PolarHBondContact O-N 3.01Å; L426-R428 VanDerWaalsContact C-N 3.31Å; L426-R428 PolarHBondContact O-N 3Å; R428-K431 PolarHBondContact O-N 2.85Å; R428-E432 WeakPolarHBondContact CD-OE1 3.41Å; R428-E432 HydrophobicContact CG-CG 4.48Å; R428-E432 VanDerWaalsContact CG-OE1 3.24Å; R428-E432 WeakPolarHBondContact CG-OE1 3.37Å; R428-E432 IonicContact CZ-OE1 3.7Å; R428-E432 IonicContact NE-OE1 3.13Å; R428-E432 IonicContact NH1-OE1 2.68Å; R428-E432 PolarHBondContact NH1-OE1 2.88Å; R428-E432 IonicContact NH1-OE2 3Å; R428-E432 PolarHBondContact NH1-OE2 3.46Å; R428-E432 WeakPolarHBondContact O-CG 3.48Å; R428-E432 PolarHBondContact O-N 3.27Å
429L98.6Very high97.8Very high47 Ų4763.5 Ų63.525%0.24629%0.289CS..Hα-helixtrans-64.4-41.4179.3-64.8173.2000112.5H337 R425 L426 W427 K431 E432 D433H337-L429 HydrophobicContact CB-CB 4.46Å; R425-L429 PolarHBondContact O-N 2.96Å; L426-L429 HydrophobicContact CD2-CD1 4.37Å; L426-L429 WeakPolarHBondContact O-CB 3.38Å; L426-L429 PolarHBondContact O-N 3.11Å; L426-L429 VanDerWaalsContact O-N 3.09Å; W427-L429 VanDerWaalsContact C-N 3.33Å; W427-L429 PolarHBondContact O-N 3.37Å; L429-K431 VanDerWaalsContact C-N 3.3Å; L429-K431 PolarHBondContact O-N 2.88Å; L429-E432 PolarHBondContact O-N 3.3Å; L429-D433 PolarHBondContact O-N 3.48Å
430I98.6Very high97.9Very high0 Ų062.4 Ų62.40%029%0.289CS..Hα-helixtrans-58.9-44.7174-67.8164.5000110.5H337 A341 V344 L426 W427 D433 F434 A477 L480H337-I430 HydrophobicContact CB-CG1 3.69Å; A341-I430 HydrophobicContact CB-CD1 4.04Å; V344-I430 HydrophobicContact CB-CD1 4.39Å; V344-I430 HydrophobicContact CG2-CD1 4.11Å; L426-I430 WeakPolarHBondContact O-CG1 3.44Å; L426-I430 PolarHBondContact O-N 3.31Å; W427-I430 PolarHBondContact O-N 2.83Å; I430-D433 PolarHBondContact O-N 3.1Å; I430-F434 HydrophobicContact CG2-CD2 4.41Å; I430-F434 HydrophobicContact CG2-CE2 4.3Å; I430-F434 WeakPolarHBondContact O-CD2 3.17Å; I430-F434 PolarHBondContact O-N 3.41Å; I430-A477 HydrophobicContact CG2-CB 4.13Å; I430-L480 HydrophobicContact CD1-CD1 3.8Å; I430-L480 HydrophobicContact CG2-CB 4.4Å
431K98.4Very high98Very high89 Ų8962.3 Ų62.339%0.38729%0.288SS..Hα-helixtrans-63-44.1176.9-179172.9174.8166.60111.7W427 R428 L429 D433 F434 M435 Y508W427-K431 PolarHBondContact O-N 3.06Å; R428-K431 PolarHBondContact O-N 2.85Å; L429-K431 VanDerWaalsContact C-N 3.3Å; L429-K431 PolarHBondContact O-N 2.88Å; K431-D433 VanDerWaalsContact C-N 3.33Å; K431-D433 PolarHBondContact O-N 3.16Å; K431-F434 PolarHBondContact O-N 2.83Å; K431-M435 HydrophobicContact CG-CG 4.46Å; K431-M435 WeakPolarHBondContact O-CG 3.16Å; K431-M435 PolarHBondContact O-N 3.49Å; K431-M435 VanDerWaalsContact O-N 3.08Å; K431-Y508 WeakPolarHBondContact CE-OH 3.21Å; K431-Y508 PolarHBondContact NZ-OH 3.06Å; K431-Y508 VanDerWaalsContact NZ-OH 3.16Å
432E98.5Very high98.1Very high85 Ų8563 Ų6340%0.39729%0.288SS..Hα-helixtrans-60.6-39.2177.6-76.1168.6-170.500112.4R428 L429 F434 M435 K436R428-E432 WeakPolarHBondContact CD-OE1 3.41Å; R428-E432 HydrophobicContact CG-CG 4.48Å; R428-E432 VanDerWaalsContact CG-OE1 3.24Å; R428-E432 WeakPolarHBondContact CG-OE1 3.37Å; R428-E432 IonicContact CZ-OE1 3.7Å; R428-E432 IonicContact NE-OE1 3.13Å; R428-E432 IonicContact NH1-OE1 2.68Å; R428-E432 PolarHBondContact NH1-OE1 2.88Å; R428-E432 IonicContact NH1-OE2 3Å; R428-E432 PolarHBondContact NH1-OE2 3.46Å; R428-E432 WeakPolarHBondContact O-CG 3.48Å; R428-E432 PolarHBondContact O-N 3.27Å; L429-E432 PolarHBondContact O-N 3.3Å; E432-F434 PolarHBondContact O-N 2.87Å; E432-M435 PolarHBondContact O-N 3.37Å; E432-K436 WeakPolarHBondContact O-CB 3.14Å; E432-K436 PolarHBondContact O-N 2.92Å
433D98.7Very high98.2Very high19 Ų1961.1 Ų61.110%0.10227%0.272CS..Hα-helixtrans-57.2-49.2175.5-72.2-12.4000111.5L335 P336 H337 L429 I430 K431 K436 V437L335-D433 HydrophobicContact CD2-CB 3.96Å; P336-D433 VanDerWaalsContact CD-OD2 3.29Å; P336-D433 WeakPolarHBondContact CD-OD2 3.5Å; H337-D433 VanDerWaalsContact CB-OD2 3.26Å; H337-D433 WeakPolarHBondContact CB-OD2 3.38Å; H337-D433 IonicContact CE1-OD1 3.63Å; H337-D433 IonicContact CE1-OD2 3.97Å; H337-D433 IonicContact CG-OD2 3.37Å; H337-D433 PolarHBondContact N-OD2 2.99Å; H337-D433 IonicContact ND1-OD1 3.02Å; H337-D433 PolarHBondContact ND1-OD1 2.57Å; H337-D433 IonicContact ND1-OD2 2.79Å; H337-D433 PolarHBondContact ND1-OD2 2.83Å; L429-D433 PolarHBondContact O-N 3.48Å; I430-D433 PolarHBondContact O-N 3.1Å; K431-D433 VanDerWaalsContact C-N 3.33Å; K431-D433 PolarHBondContact O-N 3.16Å; D433-K436 PolarHBondContact O-N 2.62Å; D433-V437 WeakPolarHBondContact O-CG2 3.11Å; D433-V437 PolarHBondContact O-N 3.23Å
434F98.7Very high98.3Very high0 Ų060.9 Ų60.90%027%0.27CS..Hα-helixtrans-64.3-44.4178.3-83.3-79.3000112.5L335 T338 I430 K431 E432 K436 V437 F438 I444 A477 S481 L483 I505L335-F434 HydrophobicContact CD1-CD1 4.31Å; L335-F434 HydrophobicContact CD1-CE1 3.73Å; L335-F434 HydrophobicContact CD1-CE2 4.48Å; L335-F434 HydrophobicContact CD1-CZ 3.84Å; L335-F434 HydrophobicContact CD2-CD1 4.03Å; L335-F434 HydrophobicContact CD2-CD2 4.34Å; L335-F434 HydrophobicContact CD2-CE1 4.26Å; L335-F434 HydrophobicContact CD2-CG 4.09Å; T338-F434 HydrophobicContact CG2-CE2 4.1Å; T338-F434 HydrophobicContact CG2-CZ 4.42Å; I430-F434 HydrophobicContact CG2-CD2 4.41Å; I430-F434 HydrophobicContact CG2-CE2 4.3Å; I430-F434 WeakPolarHBondContact O-CD2 3.17Å; I430-F434 PolarHBondContact O-N 3.41Å; K431-F434 PolarHBondContact O-N 2.83Å; E432-F434 PolarHBondContact O-N 2.87Å; F434-K436 VanDerWaalsContact C-N 3.26Å; F434-K436 PolarHBondContact O-N 2.58Å; F434-V437 PolarHBondContact O-N 3.43Å; F434-F438 HydrophobicContact CB-CE2 4.33Å; F434-F438 HydrophobicContact CD1-CE2 4.09Å; F434-F438 WeakPolarHBondContact O-CD2 3.41Å; F434-F438 PolarHBondContact O-N 3.09Å; F434-I444 HydrophobicContact CD1-CD1 3.78Å; F434-I444 HydrophobicContact CE1-CD1 3.87Å; F434-A477 HydrophobicContact CE2-CB 3.85Å; F434-A477 HydrophobicContact CZ-CB 4.21Å; F434-S481 WeakPolarHBondContact CD2-OG 3.38Å; F434-L483 HydrophobicContact CB-CD1 3.78Å; F434-L483 HydrophobicContact CD1-CD1 3.38Å; F434-L483 HydrophobicContact CD2-CD1 4.17Å; F434-L483 HydrophobicContact CE1-CD1 3.92Å; F434-L483 HydrophobicContact CG-CD1 3.51Å; F434-I505 HydrophobicContact CE1-CD1 4.25Å; F434-I505 HydrophobicContact CE1-CG2 4.5Å
435M98.3Very high98.3Very high64 Ų6454.5 Ų54.532%0.31525%0.246SC..Hα-helixtrans-57.8-43.8178.7-65.8-60.69600110.9K431 E432 F438 L483 Y508K431-M435 HydrophobicContact CG-CG 4.46Å; K431-M435 WeakPolarHBondContact O-CG 3.16Å; K431-M435 PolarHBondContact O-N 3.49Å; K431-M435 VanDerWaalsContact O-N 3.08Å; E432-M435 PolarHBondContact O-N 3.37Å; M435-F438 PolarHBondContact O-N 2.82Å; M435-L483 HydrophobicContact CE-CD2 3.74Å; M435-Y508 HydrophobicContact CE-CD2 4.14Å; M435-Y508 HydrophobicContact CE-CE2 3.58Å; M435-Y508 HydrophobicContact SD-CD2 4.29Å; M435-Y508 HydrophobicContact SD-CE2 3.73Å
436K98.5Very high98.4Very high148 Ų14846.2 Ų46.264%0.64322%0.215SC*.Hα-helixtrans-66.6-41.7177.4-174.2177.7-178.9178.80112.5E432 D433 F434 F438 E439E432-K436 WeakPolarHBondContact O-CB 3.14Å; E432-K436 PolarHBondContact O-N 2.92Å; D433-K436 PolarHBondContact O-N 2.62Å; F434-K436 VanDerWaalsContact C-N 3.26Å; F434-K436 PolarHBondContact O-N 2.58Å; K436-F438 VanDerWaalsContact C-N 3.32Å; K436-F438 PolarHBondContact O-N 3.32Å; K436-E439 WeakPolarHBondContact O-CB 3.41Å; K436-E439 PolarHBondContact O-N 3.21Å
437V98.5Very high98.4Very high9 Ų943.9 Ų43.96%0.05520%0.202CC..Hα-helixtrans-62.2-41.1178.61650000111.1V333 R334 L335 D433 F434 E439 S440 V441 I444V333-V437 HydrophobicContact CB-CG1 3.98Å; V333-V437 HydrophobicContact CB-CG2 4.31Å; V333-V437 HydrophobicContact CG1-CG1 4.14Å; V333-V437 HydrophobicContact CG2-CG1 3.93Å; R334-V437 WeakPolarHBondContact O-CG2 3.41Å; L335-V437 HydrophobicContact CD2-CB 4.13Å; L335-V437 HydrophobicContact CD2-CG2 3.61Å; L335-V437 HydrophobicContact CG-CG2 4.31Å; D433-V437 WeakPolarHBondContact O-CG2 3.11Å; D433-V437 PolarHBondContact O-N 3.23Å; F434-V437 PolarHBondContact O-N 3.43Å; V437-E439 PolarHBondContact O-N 3.12Å; V437-E439 VanDerWaalsContact O-N 3.15Å; V437-S440 PolarHBondContact O-N 3.18Å; V437-S440 PolarHBondContact O-OG 2.8Å; V437-V441 HydrophobicContact CG1-CG2 3.49Å; V437-V441 VanDerWaalsContact CG1-CG2 3.49Å; V437-V441 WeakPolarHBondContact O-CG2 3.31Å; V437-V441 PolarHBondContact O-N 2.79Å; V437-V441 VanDerWaalsContact O-N 3.08Å; V437-I444 HydrophobicContact CG1-CD1 3.68Å; V437-I444 HydrophobicContact CG1-CG1 4.17Å
438F98.6Very high98.4Very high26 Ų2640.8 Ų40.811%0.11419%0.191CC..Hα-helixtrans-68-8.6178.2-71.9-58.3000115F434 M435 K436 S440 V441 I444 L483 I505 G506 P507F434-F438 HydrophobicContact CB-CE2 4.33Å; F434-F438 HydrophobicContact CD1-CE2 4.09Å; F434-F438 WeakPolarHBondContact O-CD2 3.41Å; F434-F438 PolarHBondContact O-N 3.09Å; M435-F438 PolarHBondContact O-N 2.82Å; K436-F438 VanDerWaalsContact C-N 3.32Å; K436-F438 PolarHBondContact O-N 3.32Å; F438-S440 VanDerWaalsContact C-N 3.26Å; F438-V441 CarbonylContact C-O 3.58Å; F438-V441 VanDerWaalsContact CA-O 3.26Å; F438-V441 WeakPolarHBondContact CA-O 3.49Å; F438-I444 HydrophobicContact CE1-CD1 3.99Å; F438-I444 HydrophobicContact CE1-CG1 3.87Å; F438-I444 HydrophobicContact CE2-CD1 4.39Å; F438-I444 HydrophobicContact CZ-CD1 3.82Å; F438-I444 HydrophobicContact CZ-CG1 4.13Å; F438-L483 HydrophobicContact CD2-CD2 4.4Å; F438-L483 HydrophobicContact CE2-CD1 3.67Å; F438-L483 HydrophobicContact CE2-CD2 3.74Å; F438-L483 HydrophobicContact CE2-CG 4.31Å; F438-L483 HydrophobicContact CZ-CD1 4.31Å; F438-I505 HydrophobicContact CZ-CG2 4.18Å; F438-G506 VanDerWaalsContact CZ-C 3.41Å; F438-G506 WeakPolarHBondContact CZ-O 3.36Å; F438-P507 HydrophobicContact CD1-CB 4.28Å; F438-P507 HydrophobicContact CD1-CG 4.44Å; F438-P507 HydrophobicContact CD2-CB 4.23Å; F438-P507 HydrophobicContact CG-CB 4.11Å
439E98Very high98.4Very high148 Ų14835 Ų3569%0.69217%0.17SC*.Hα-helixtrans-69.4-30.9166.4-60.8173.5-175.300111R295 K436 V437R295-E439 PolarHBondContact NH1-O 2.88Å; K436-E439 WeakPolarHBondContact O-CB 3.41Å; K436-E439 PolarHBondContact O-N 3.21Å; V437-E439 PolarHBondContact O-N 3.12Å; V437-E439 VanDerWaalsContact O-N 3.15Å
440S97.3Very high98.3Very high47 Ų4733.2 Ų33.233%0.32916%0.162SC..Hα-helixtrans-100-24.9-174.969.30000114.5R295 Q331 V437 F438R295-S440 WeakPolarHBondContact CD-O 3.43Å; R295-S440 VanDerWaalsContact NH1-C 3.33Å; R295-S440 PolarHBondContact NH1-O 2.8Å; Q331-S440 PolarHBondContact NE2-O 3.03Å; V437-S440 PolarHBondContact O-N 3.18Å; V437-S440 PolarHBondContact O-OG 2.8Å; F438-S440 VanDerWaalsContact C-N 3.26Å
441V98.4Very high98.2Very high0 Ų034.6 Ų34.60%017%0.171CC..  trans-134.4156.3-179.7-64.10000110.8R295 Q331 V333 V437 F438 I444R295-V441 HydrophobicContact CB-CB 4.34Å; R295-V441 HydrophobicContact CB-CG1 4.35Å; Q331-V441 HydrophobicContact CG-CG1 3.83Å; V333-V441 HydrophobicContact CG1-CG1 3.81Å; V333-V441 HydrophobicContact CG1-CG2 4.37Å; V437-V441 HydrophobicContact CG1-CG2 3.49Å; V437-V441 VanDerWaalsContact CG1-CG2 3.49Å; V437-V441 WeakPolarHBondContact O-CG2 3.31Å; V437-V441 PolarHBondContact O-N 2.79Å; V437-V441 VanDerWaalsContact O-N 3.08Å; F438-V441 CarbonylContact C-O 3.58Å; F438-V441 VanDerWaalsContact CA-O 3.26Å; F438-V441 WeakPolarHBondContact CA-O 3.49Å; V441-I444 HydrophobicContact CG2-CG1 4.15Å
442D97.9Very high98.1Very high44 Ų4430.5 Ų30.524%0.23515%0.153CC..SBendtrans-93-34.7179.5-51.3-56.3000111.1L294 R295 P507L294-D442 HydrophobicContact CD2-CB 4.17Å; R295-D442 WeakPolarHBondContact CB-OD2 3.45Å; R295-D442 IonicContact CZ-OD1 2.65Å; R295-D442 PolarHBondContact N-OD2 2.92Å; R295-D442 IonicContact NE-OD1 3.7Å; R295-D442 IonicContact NE-OD2 3.43Å; R295-D442 PolarHBondContact NE-OD2 2.72Å; R295-D442 IonicContact NH2-OD1 3.26Å; R295-D442 PolarHBondContact NH2-OD1 3.37Å; R295-D442 IonicContact NH2-OD2 3.58Å; R295-D442 PolarHBondContact O-N 3.05Å; D442-P507 WeakPolarHBondContact O-CD 3.28Å
443F98.6Very high98Very high1 Ų126.5 Ų26.50%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-138.8162.3176-61.7-73.9000111.7L294 R295 I296 G297 L504 I505 Q513 L514 L517L294-F443 HydrophobicContact CD1-CD2 4.33Å; L294-F443 HydrophobicContact CD1-CE2 4.06Å; L294-F443 HydrophobicContact CD2-CE2 4.33Å; R295-F443 PolarHBondContact O-N 3.19Å; I296-F443 CarbonylContact C-O 3.43Å; I296-F443 WeakPolarHBondContact CA-O 3.42Å; I296-F443 HydrophobicContact CD1-CB 3.91Å; I296-F443 HydrophobicContact CD1-CD2 4.35Å; G297-F443 PolarHBondContact N-O 2.86Å; F443-L504 HydrophobicContact CB-CD1 3.92Å; F443-L504 HydrophobicContact CB-CD2 4.18Å; F443-L504 HydrophobicContact CB-CG 4Å; F443-L504 HydrophobicContact CD1-CD2 4.38Å; F443-L504 HydrophobicContact CG-CD2 4.19Å; F443-L504 HydrophobicContact CG-CG 4.42Å; F443-I505 CarbonylContact C-O 3.4Å; F443-I505 WeakPolarHBondContact CA-O 3.49Å; F443-Q513 HydrophobicContact CE2-CB 4.49Å; F443-Q513 HydrophobicContact CZ-CB 3.81Å; F443-L514 HydrophobicContact CD1-CD1 3.44Å; F443-L514 VanDerWaalsContact CD1-CD1 3.44Å; F443-L514 HydrophobicContact CE1-CB 3.81Å; F443-L514 HydrophobicContact CE1-CD1 3.63Å; F443-L514 HydrophobicContact CE1-CG 4.35Å; F443-L514 HydrophobicContact CG-CD1 4.41Å; F443-L514 HydrophobicContact CZ-CB 4.43Å; F443-L517 HydrophobicContact CD2-CD2 3.73Å; F443-L517 HydrophobicContact CE2-CD2 4.26Å; F443-L517 HydrophobicContact CG-CD2 4.3Å
444I98.9Very high97.9Very high0 Ų027.4 Ų27.40%014%0.139CC..EExtended strand (participates in β ladder)trans-123.6122.3177.5-53.2174.4000108.7G297 P299 L335 F434 V437 F438 V441 T446 L504 I505G297-I444 CarbonylContact O-C 3.54Å; G297-I444 WeakPolarHBondContact O-CA 3.11Å; G297-I444 WeakPolarHBondContact O-CG2 3.44Å; P299-I444 HydrophobicContact CG-CG2 3.77Å; L335-I444 HydrophobicContact CD1-CD1 4.43Å; F434-I444 HydrophobicContact CD1-CD1 3.78Å; F434-I444 HydrophobicContact CE1-CD1 3.87Å; V437-I444 HydrophobicContact CG1-CD1 3.68Å; V437-I444 HydrophobicContact CG1-CG1 4.17Å; F438-I444 HydrophobicContact CE1-CD1 3.99Å; F438-I444 HydrophobicContact CE1-CG1 3.87Å; F438-I444 HydrophobicContact CE2-CD1 4.39Å; F438-I444 HydrophobicContact CZ-CD1 3.82Å; F438-I444 HydrophobicContact CZ-CG1 4.13Å; V441-I444 HydrophobicContact CG2-CG1 4.15Å; I444-T446 HydrophobicContact CG2-CG2 3.84Å; I444-L504 WeakPolarHBondContact O-CA 3.2Å; I444-I505 HydrophobicContact CB-CB 4.27Å; I444-I505 HydrophobicContact CB-CD1 4.46Å; I444-I505 PolarHBondContact N-O 2.7Å; I444-I505 PolarHBondContact O-N 2.82Å
445L98.8Very high97.8Very high0 Ų028.3 Ų28.30%015%0.146CC..EExtended strand (participates in β ladder)trans-96.1130.9176.617973.3000109.8I296 G297 I298 P299 W315 V318 A319 L322 F488 L502 L504I296-L445 HydrophobicContact CG2-CB 3.88Å; G297-L445 PolarHBondContact O-N 3.07Å; I298-L445 HydrophobicContact CD1-CB 3.85Å; I298-L445 HydrophobicContact CD1-CD2 4.12Å; I298-L445 HydrophobicContact CD1-CG 4.4Å; P299-L445 WeakPolarHBondContact CD-O 3.31Å; W315-L445 WeakPolarHBondContact CZ2-O 3.49Å; W315-L445 PolarHBondContact NE1-O 3.2Å; W315-L445 VanDerWaalsContact NE1-O 3.14Å; V318-L445 HydrophobicContact CB-CD2 4.29Å; V318-L445 HydrophobicContact CG1-CD1 4.28Å; V318-L445 HydrophobicContact CG1-CD2 3.92Å; A319-L445 HydrophobicContact CB-CD2 4.26Å; L322-L445 HydrophobicContact CD1-CD2 3.82Å; L445-F488 HydrophobicContact CD1-CZ 4.41Å; L445-L502 HydrophobicContact CD1-CB 4.14Å; L445-L502 HydrophobicContact CD1-CD1 4.14Å; L445-L502 HydrophobicContact CD2-CD1 4.46Å; L445-L504 HydrophobicContact CB-CD1 4.05Å; L445-L504 HydrophobicContact CD1-CD1 4.19Å
446T98.7Very high97.7Very high0 Ų026 Ų260%014%0.135CC..EExtended strand (participates in β ladder)trans-146.6156.1-172.857.40000111.5P299 Y302 I444 Q503 I505P299-T446 HydrophobicContact CG-CG2 3.52Å; Y302-T446 HydrophobicContact CD2-CG2 3.46Å; Y302-T446 VanDerWaalsContact CD2-CG2 3.46Å; Y302-T446 HydrophobicContact CE2-CG2 3.52Å; Y302-T446 HydrophobicContact CG-CG2 4.31Å; I444-T446 HydrophobicContact CG2-CG2 3.84Å; T446-Q503 PolarHBondContact N-O 3.18Å; T446-Q503 PolarHBondContact O-N 3.1Å; T446-Q503 WeakPolarHBondContact OG1-CB 3.36Å; T446-Q503 PolarHBondContact OG1-NE2 2.96Å; T446-Q503 PolarHBondContact OG1-O 3.49Å; T446-I505 HydrophobicContact CG2-CD1 4.01Å
447P98.5Very high97.5Very high0 Ų024.6 Ų24.60%013%0.134CC..EExtended strand (participates in β ladder)trans-62153.8159.7-19.934.1000110.7L307 I311 W315 C474L307-P447 HydrophobicContact CD1-CB 4.39Å; L307-P447 HydrophobicContact CD1-CG 4.12Å; I311-P447 HydrophobicContact CG2-CB 3.94Å; I311-P447 HydrophobicContact CG2-CG 4.32Å; W315-P447 HydrophobicContact CD2-CG 3.85Å; W315-P447 HydrophobicContact CE3-CG 3.63Å; W315-P447 HydrophobicContact CG-CG 4.36Å; W315-P447 HydrophobicContact CZ3-CG 3.99Å; P447-C474 WeakPolarHBondContact O-CB 3.27Å
448V98.5Very high97.4Very high1 Ų128.4 Ų28.41%0.00615%0.151CC..SBendtrans-82.9-39.5171.4-174.10000110.7R197 A201 T475 S487 L502 Q503R197-V448 HydrophobicContact CB-CG1 4.22Å; A201-V448 HydrophobicContact CB-CB 3.78Å; A201-V448 HydrophobicContact CB-CG1 3.7Å; A201-V448 HydrophobicContact CB-CG2 3.9Å; V448-T475 HydrophobicContact CG1-CG2 4Å; V448-T475 WeakPolarHBondContact O-CG2 3.1Å; V448-S487 WeakPolarHBondContact CG2-OG 3.28Å; V448-L502 VanDerWaalsContact CG2-C 3.48Å; V448-Q503 HydrophobicContact CG2-CB 3.8Å
449S97.2Very high97.3Very high7 Ų727.3 Ų27.35%0.04915%0.146CC..  trans-140.9151.1-179.1172.70000109.3Y202 S451Y202-S449 PolarHBondContact OH-OG 3.21Å; S449-S451 PolarHBondContact O-N 3.48Å; S449-S451 PolarHBondContact OG-N 3.13Å; S449-S451 PolarHBondContact OG-O 2.92Å; S449-S451 VanDerWaalsContact OG-O 3.08Å
450P96.7Very high97.1Very high10 Ų1022.8 Ų22.87%0.06513%0.131CC..SBendtrans-68.1-19.1174.627.4-35.7000114V304 L307 Q308 L470 V473V304-P450 HydrophobicContact CG2-CB 3.74Å; V304-P450 HydrophobicContact CG2-CG 4.5Å; L307-P450 CarbonylContact C-O 3.57Å; L307-P450 WeakPolarHBondContact CA-O 3.43Å; Q308-P450 PolarHBondContact N-O 2.97Å; P450-L470 WeakPolarHBondContact CG-O 3.49Å; P450-V473 HydrophobicContact CG-CG1 4.17Å
451S96.7Very high97Very high28 Ų2828.8 Ų28.820%0.19615%0.151CC..SBendtrans-141.2158.4-175.257.60000113.3Y202 S449Y202-S451 WeakPolarHBondContact CE1-O 3.26Å; Y202-S451 PolarHBondContact OH-O 2.98Å; S449-S451 PolarHBondContact O-N 3.48Å; S449-S451 PolarHBondContact OG-N 3.13Å; S449-S451 PolarHBondContact OG-O 2.92Å; S449-S451 VanDerWaalsContact OG-O 3.08Å
452L96.7Very high96.9Very high4 Ų433 Ų332%0.02117%0.17CC..PPolyproline II helixtrans-65.3159.2167.3-66.4-177.8000111.9E310 I454 R496 L498 P499 I500E310-L452 WeakPolarHBondContact OE1-CD1 3.41Å; L452-I454 PolarHBondContact O-N 3.16Å; L452-R496 HydrophobicContact CD1-CB 4.31Å; L452-L498 HydrophobicContact CB-CD1 4.48Å; L452-L498 HydrophobicContact CD1-CB 4.36Å; L452-L498 HydrophobicContact CD1-CD1 4.47Å; L452-P499 WeakPolarHBondContact CD2-O 3.42Å; L452-I500 HydrophobicContact CD2-CG1 3.9Å
453P96.5Very high96.7Very high0 Ų035.1 Ų35.10%018%0.181CC..PPolyproline II helixtrans-59.7134178.422-31.2000112L166 I167 Y202 R496 L498L166-P453 HydrophobicContact CB-CB 4.41Å; L166-P453 HydrophobicContact CD1-CG 4.38Å; I167-P453 HydrophobicContact CG1-CB 4Å; I167-P453 WeakPolarHBondContact O-CB 3.5Å; Y202-P453 HydrophobicContact CD1-CB 4.42Å; Y202-P453 HydrophobicContact CD1-CG 4.36Å; Y202-P453 HydrophobicContact CD2-CB 3.77Å; Y202-P453 HydrophobicContact CD2-CG 4.46Å; Y202-P453 HydrophobicContact CE2-CB 4.18Å; Y202-P453 HydrophobicContact CG-CB 3.92Å; Y202-P453 HydrophobicContact CG-CG 4.09Å; P453-R496 PolarHBondContact O-NH1 2.95Å; P453-R496 PolarHBondContact O-NH2 3.26Å; P453-L498 HydrophobicContact CG-CD1 4.21Å
454I95.6Very high96.4Very high38 Ų3836.1 Ų36.120%0.19519%0.187CC..PPolyproline II helixtrans-97.3173.5176.162.5170.5000111L166 I167 L452 E458 F459L166-I454 WeakPolarHBondContact CA-O 3.22Å; I167-I454 HydrophobicContact CD1-CG1 4.24Å; I167-I454 PolarHBondContact N-O 2.92Å; L452-I454 PolarHBondContact O-N 3.16Å; I454-E458 HydrophobicContact CD1-CB 4.31Å; I454-E458 HydrophobicContact CD1-CG 4.05Å; I454-F459 HydrophobicContact CD1-CB 3.89Å; I454-F459 HydrophobicContact CD1-CD2 4.18Å; I454-F459 HydrophobicContact CG1-CB 4.01Å; I454-F459 HydrophobicContact CG1-CD2 4.36Å
455S96.5Very high96.1Very high20 Ų2043.8 Ų43.814%0.1422%0.215CC..BIsolated β-bridgetrans-64.3148.4177.667.60000111.7R165 D457 E458 F459R165-S455 WeakPolarHBondContact O-CA 3.36Å; S455-D457 PolarHBondContact O-N 3.02Å; S455-E458 PolarHBondContact O-N 2.7Å; S455-E458 WeakPolarHBondContact OG-CB 3.3Å; S455-E458 PolarHBondContact OG-N 2.87Å; S455-E458 VanDerWaalsContact OG-N 3.09Å; S455-F459 WeakPolarHBondContact O-CB 3.31Å; S455-F459 PolarHBondContact O-N 2.8Å
456I96.4Very high95.9Very high16 Ų1646.1 Ų46.18%0.08223%0.23CC..Hα-helixtrans-56.1-41.4174.5-68.4167.4000110.3T144 P151 V153 R165 I167 F459 S460T144-I456 HydrophobicContact CG2-CG2 4.17Å; P151-I456 HydrophobicContact CB-CD1 4.05Å; P151-I456 HydrophobicContact CB-CG2 4.15Å; P151-I456 HydrophobicContact CG-CD1 4.33Å; P151-I456 HydrophobicContact CG-CG2 4.28Å; V153-I456 HydrophobicContact CG2-CD1 4.11Å; R165-I456 HydrophobicContact CB-CD1 3.81Å; R165-I456 PolarHBondContact O-N 3.27Å; I167-I456 HydrophobicContact CG2-CG1 3.98Å; I456-F459 PolarHBondContact O-N 2.85Å; I456-S460 WeakPolarHBondContact O-CB 3.48Å; I456-S460 PolarHBondContact O-N 2.91Å; I456-S460 PolarHBondContact O-OG 3.48Å
457D95.4Very high95.7Very high118 Ų11847.2 Ų47.263%0.63123%0.234SC*.Hα-helixtrans-65.8-42.7-179-63.7-24.4000112.4S455 S460 K461S455-D457 PolarHBondContact O-N 3.02Å; D457-S460 PolarHBondContact O-N 3.26Å; D457-K461 WeakPolarHBondContact O-CG 3.24Å
458E95.5Very high95.4Very high88 Ų8847.4 Ų47.441%0.41124%0.235SC..Hα-helixtrans-67.6-45.4177.2-175-177.6178.600111.6I454 S455 S460 K461I454-E458 HydrophobicContact CD1-CB 4.31Å; I454-E458 HydrophobicContact CD1-CG 4.05Å; S455-E458 PolarHBondContact O-N 2.7Å; S455-E458 WeakPolarHBondContact OG-CB 3.3Å; S455-E458 PolarHBondContact OG-N 2.87Å; S455-E458 VanDerWaalsContact OG-N 3.09Å; E458-S460 PolarHBondContact O-N 3.36Å; E458-K461 WeakPolarHBondContact O-CB 3.44Å; E458-K461 PolarHBondContact O-N 3.34Å
459F96Very high95.1Very high3 Ų349.7 Ų49.71%0.01325%0.249CC..Hα-helixtrans-58.5-40.6175.6-175.1-102.7000111.5T144 I167 I454 S455 I456 K461 F462 R467 D471T144-F459 HydrophobicContact CG2-CD1 3.74Å; T144-F459 HydrophobicContact CG2-CE1 3.98Å; I167-F459 HydrophobicContact CD1-CD2 3.56Å; I167-F459 HydrophobicContact CD1-CE2 3.76Å; I167-F459 HydrophobicContact CD1-CG 4.04Å; I167-F459 HydrophobicContact CD1-CZ 4.37Å; I167-F459 HydrophobicContact CG2-CB 3.69Å; I167-F459 HydrophobicContact CG2-CD1 3.85Å; I167-F459 HydrophobicContact CG2-CD2 4.35Å; I167-F459 HydrophobicContact CG2-CE1 4.49Å; I167-F459 HydrophobicContact CG2-CG 3.73Å; I454-F459 HydrophobicContact CD1-CB 3.89Å; I454-F459 HydrophobicContact CD1-CD2 4.18Å; I454-F459 HydrophobicContact CG1-CB 4.01Å; I454-F459 HydrophobicContact CG1-CD2 4.36Å; S455-F459 WeakPolarHBondContact O-CB 3.31Å; S455-F459 PolarHBondContact O-N 2.8Å; I456-F459 PolarHBondContact O-N 2.85Å; F459-K461 PolarHBondContact O-N 3.27Å; F459-K461 VanDerWaalsContact O-N 3.15Å; F459-F462 PolarHBondContact O-N 3.46Å; F459-R467 HydrophobicContact CD2-CG 4.25Å; F459-R467 VanDerWaalsContact CE1-CD 3.44Å; F459-R467 HydrophobicContact CE1-CG 4.25Å; F459-R467 HydrophobicContact CE2-CB 3.83Å; F459-R467 HydrophobicContact CE2-CG 3.88Å; F459-R467 HydrophobicContact CZ-CB 3.81Å; F459-R467 HydrophobicContact CZ-CG 3.9Å; F459-R467 PolarHBondContact O-NE 2.84Å; F459-D471 WeakPolarHBondContact CE2-OD2 3.34Å
460S94.7Very high95Very high54 Ų5453.6 Ų53.638%0.37827%0.269SS..THydrogen-bonded Turntrans-67.9-13.7-177-61.70000114I456 D457 E458 R467I456-S460 WeakPolarHBondContact O-CB 3.48Å; I456-S460 PolarHBondContact O-N 2.91Å; I456-S460 PolarHBondContact O-OG 3.48Å; D457-S460 PolarHBondContact O-N 3.26Å; E458-S460 PolarHBondContact O-N 3.36Å; S460-R467 VanDerWaalsContact C-NH2 3.35Å; S460-R467 VanDerWaalsContact CA-NH2 3.27Å; S460-R467 PolarHBondContact O-NH2 3.43Å
461K95.7Very high94.9Very high172 Ų17253.7 Ų53.775%0.74827%0.269SS*.THydrogen-bonded Turntrans-72.5-26.6176.5-68.7171.8-173.5174.20113.7D457 E458 F459D457-K461 WeakPolarHBondContact O-CG 3.24Å; E458-K461 WeakPolarHBondContact O-CB 3.44Å; E458-K461 PolarHBondContact O-N 3.34Å; F459-K461 PolarHBondContact O-N 3.27Å; F459-K461 VanDerWaalsContact O-N 3.15Å
462F94.9Very high94.8Very high90 Ų9052.6 Ų52.640%0.39526%0.261SS..SBendtrans-85.4153.9179.2-60.3-75.2000110.5F459 T466 R467F459-F462 PolarHBondContact O-N 3.46Å; F462-T466 HydrophobicContact CB-CG2 4.18Å; F462-T466 HydrophobicContact CD1-CG2 3.86Å; F462-T466 HydrophobicContact CG-CG2 4.3Å; F462-R467 HydrophobicContact CB-CG 3.7Å; F462-R467 PolarHBondContact O-NE 3.27Å; F462-R467 PolarHBondContact O-NH2 3.27Å
463D94.2Very high94.8Very high88 Ų8853.6 Ų53.647%0.47127%0.267SS..  trans-74.2159.5168.670.389.9000111.3R465 T466 R467D463-R465 VanDerWaalsContact C-N 3.26Å; D463-R465 PolarHBondContact O-N 3.37Å; D463-R465 WeakPolarHBondContact OD1-CA 3.47Å; D463-R465 VanDerWaalsContact OD1-CB 3.3Å; D463-R465 WeakPolarHBondContact OD1-CB 3.17Å; D463-R465 PolarHBondContact OD1-N 3.16Å; D463-T466 PolarHBondContact O-N 3.42Å; D463-T466 VanDerWaalsContact O-N 3.12Å; D463-T466 PolarHBondContact OD1-N 2.74Å; D463-T466 VanDerWaalsContact OD2-CB 3.29Å; D463-T466 WeakPolarHBondContact OD2-CB 3.45Å; D463-T466 PolarHBondContact OD2-OG1 2.98Å; D463-R467 WeakPolarHBondContact O-CG 3.4Å; D463-R467 PolarHBondContact O-N 3.35Å
464N93.4Very high94.8Very high22 Ų2253.6 Ų53.612%0.11827%0.267CS..Hα-helixtrans-56.1-36.5-175.8-176.1-96.6000113.5M139 D145 V399 R403 T468M139-N464 PolarHBondContact O-ND2 2.84Å; D145-N464 PolarHBondContact OD2-ND2 2.94Å; V399-N464 HydrophobicContact CG1-CB 4.05Å; V399-N464 VanDerWaalsContact CG1-CG 3.43Å; V399-N464 WeakPolarHBondContact CG1-ND2 3.49Å; V399-N464 HydrophobicContact CG2-CB 3.92Å; R403-N464 PolarHBondContact NE-OD1 3.13Å; R403-N464 PolarHBondContact NH2-OD1 3.44Å; N464-T468 PolarHBondContact O-N 2.9Å; N464-T468 VanDerWaalsContact O-N 3.1Å; N464-T468 PolarHBondContact O-OG1 2.73Å
465R92.4Very high94.9Very high161 Ų16151.8 Ų51.861%0.60826%0.258SS*.Hα-helixtrans-70.2-43179.4179.6-172.8174-157.3-2.6110.8D463 T469D463-R465 VanDerWaalsContact C-N 3.26Å; D463-R465 PolarHBondContact O-N 3.37Å; D463-R465 WeakPolarHBondContact OD1-CA 3.47Å; D463-R465 VanDerWaalsContact OD1-CB 3.3Å; D463-R465 WeakPolarHBondContact OD1-CB 3.17Å; D463-R465 PolarHBondContact OD1-N 3.16Å; R465-T469 WeakPolarHBondContact O-CB 3.39Å; R465-T469 PolarHBondContact O-N 2.88Å; R465-T469 PolarHBondContact O-OG1 2.82Å
466T94.2Very high95Very high49 Ų4950.9 Ų50.930%0.30125%0.251SS..Hα-helixtrans-60.8-47176.7-63.50000110.9F462 D463 T468 T469 L470F462-T466 HydrophobicContact CB-CG2 4.18Å; F462-T466 HydrophobicContact CD1-CG2 3.86Å; F462-T466 HydrophobicContact CG-CG2 4.3Å; D463-T466 PolarHBondContact O-N 3.42Å; D463-T466 VanDerWaalsContact O-N 3.12Å; D463-T466 PolarHBondContact OD1-N 2.74Å; D463-T466 VanDerWaalsContact OD2-CB 3.29Å; D463-T466 WeakPolarHBondContact OD2-CB 3.45Å; D463-T466 PolarHBondContact OD2-OG1 2.98Å; T466-T468 PolarHBondContact O-N 3.3Å; T466-T469 PolarHBondContact O-N 2.87Å; T466-L470 HydrophobicContact CG2-CD1 4Å; T466-L470 WeakPolarHBondContact O-CG 3.36Å; T466-L470 PolarHBondContact O-N 3.37Å; T466-L470 VanDerWaalsContact O-N 3.14Å
467R94.5Very high95.1Very high22 Ų2250.1 Ų50.18%0.08325%0.247CC..Hα-helixtrans-55.3-54.5176.3-62.5168.5-171170.113112C141 T144 D145 F459 S460 F462 D463 T469 L470 D471C141-R467 VanDerWaalsContact SG-C 3.52Å; T144-R467 PolarHBondContact OG1-NH1 3.47Å; D145-R467 IonicContact OD1-NH1 3.54Å; D145-R467 PolarHBondContact OD1-NH1 2.94Å; D145-R467 VanDerWaalsContact OD1-NH1 3.13Å; D145-R467 IonicContact OD2-NH1 3.42Å; F459-R467 HydrophobicContact CD2-CG 4.25Å; F459-R467 VanDerWaalsContact CE1-CD 3.44Å; F459-R467 HydrophobicContact CE1-CG 4.25Å; F459-R467 HydrophobicContact CE2-CB 3.83Å; F459-R467 HydrophobicContact CE2-CG 3.88Å; F459-R467 HydrophobicContact CZ-CB 3.81Å; F459-R467 HydrophobicContact CZ-CG 3.9Å; F459-R467 PolarHBondContact O-NE 2.84Å; S460-R467 VanDerWaalsContact C-NH2 3.35Å; S460-R467 VanDerWaalsContact CA-NH2 3.27Å; S460-R467 PolarHBondContact O-NH2 3.43Å; F462-R467 HydrophobicContact CB-CG 3.7Å; F462-R467 PolarHBondContact O-NE 3.27Å; F462-R467 PolarHBondContact O-NH2 3.27Å; D463-R467 WeakPolarHBondContact O-CG 3.4Å; D463-R467 PolarHBondContact O-N 3.35Å; R467-T469 VanDerWaalsContact C-N 3.29Å; R467-T469 PolarHBondContact O-N 3.45Å; R467-L470 PolarHBondContact O-N 2.96Å; R467-D471 PolarHBondContact O-N 2.8Å
468T92Very high95.3Very high4 Ų444.5 Ų44.53%0.02522%0.217CC..Hα-helixtrans-60.6-35.7178.7-68.90000112.6Y345 N464 T466 L470 D472Y345-T468 HydrophobicContact CE1-CG2 4.31Å; N464-T468 PolarHBondContact O-N 2.9Å; N464-T468 VanDerWaalsContact O-N 3.1Å; N464-T468 PolarHBondContact O-OG1 2.73Å; T466-T468 PolarHBondContact O-N 3.3Å; T468-L470 VanDerWaalsContact C-N 3.31Å; T468-L470 PolarHBondContact O-N 3.14Å; T468-D472 HydrophobicContact CG2-CB 4.43Å; T468-D472 WeakPolarHBondContact CG2-OD2 3.4Å; T468-D472 WeakPolarHBondContact O-CB 3.34Å; T468-D472 PolarHBondContact O-N 3.36Å; T468-D472 VanDerWaalsContact O-N 3.12Å
469T93.1Very high95.4Very high50 Ų5040.5 Ų40.531%0.30720%0.199SC..Hα-helixtrans-67.5-34.5179.8-58.80000112.1R465 T466 R467R465-T469 WeakPolarHBondContact O-CB 3.39Å; R465-T469 PolarHBondContact O-N 2.88Å; R465-T469 PolarHBondContact O-OG1 2.82Å; T466-T469 PolarHBondContact O-N 2.87Å; R467-T469 VanDerWaalsContact C-N 3.29Å; R467-T469 PolarHBondContact O-N 3.45Å
470L93.9Very high95.5Very high88 Ų8840.6 Ų40.646%0.46120%0.199SC..Hα-helixtrans-80.7-49.4-179.9-65.2171.5000111.4P450 T466 R467 T468 V473P450-L470 WeakPolarHBondContact CG-O 3.49Å; T466-L470 HydrophobicContact CG2-CD1 4Å; T466-L470 WeakPolarHBondContact O-CG 3.36Å; T466-L470 PolarHBondContact O-N 3.37Å; T466-L470 VanDerWaalsContact O-N 3.14Å; R467-L470 PolarHBondContact O-N 2.96Å; T468-L470 VanDerWaalsContact C-N 3.31Å; T468-L470 PolarHBondContact O-N 3.14Å; L470-V473 WeakPolarHBondContact O-CG1 3.31Å
471D94.5Very high95.7Very high13 Ų1338 Ų387%0.0718%0.182CC..Hα-helixtrans-82.5-35.8-169.9-73.35000113.5C141 L198 F459 R467 V473C141-D471 HydrophobicContact CB-CB 4.35Å; L198-D471 HydrophobicContact CD2-CB 3.93Å; F459-D471 WeakPolarHBondContact CE2-OD2 3.34Å; R467-D471 PolarHBondContact O-N 2.8Å; D471-V473 VanDerWaalsContact C-N 3.33Å; D471-V473 PolarHBondContact O-N 3.14Å
472D95.2Very high95.8Very high4 Ų430.1 Ų30.12%0.02115%0.149CC..THydrogen-bonded Turntrans-91.79.6-174.5-63.7-39.6000113.3T468 C474 T475 V476T468-D472 HydrophobicContact CG2-CB 4.43Å; T468-D472 WeakPolarHBondContact CG2-OD2 3.4Å; T468-D472 WeakPolarHBondContact O-CB 3.34Å; T468-D472 PolarHBondContact O-N 3.36Å; T468-D472 VanDerWaalsContact O-N 3.12Å; D472-C474 PolarHBondContact O-N 3.15Å; D472-C474 VanDerWaalsContact O-N 3.16Å; D472-T475 VanDerWaalsContact CA-OG1 3.24Å; D472-T475 WeakPolarHBondContact CA-OG1 3.28Å; D472-T475 WeakPolarHBondContact CB-OG1 3.45Å; D472-T475 PolarHBondContact O-N 2.87Å; D472-T475 PolarHBondContact O-OG1 3.33Å; D472-V476 HydrophobicContact CB-CG2 3.57Å; D472-V476 WeakPolarHBondContact O-CG2 3.35Å; D472-V476 PolarHBondContact O-N 3.21Å
473V96.2Very high96Very high26 Ų2625.9 Ų25.916%0.15813%0.13CC..THydrogen-bonded Turntrans-58.4-33.1-173.267.70000113.3V304 T342 P450 L470 D471V304-V473 HydrophobicContact CB-CG1 4.43Å; V304-V473 HydrophobicContact CG1-CG1 4.16Å; V304-V473 HydrophobicContact CG1-CG2 3.87Å; V304-V473 HydrophobicContact CG2-CG1 4Å; T342-V473 HydrophobicContact CG2-CB 4.44Å; P450-V473 HydrophobicContact CG-CG1 4.17Å; L470-V473 WeakPolarHBondContact O-CG1 3.31Å; D471-V473 VanDerWaalsContact C-N 3.33Å; D471-V473 PolarHBondContact O-N 3.14Å
474C97Very high96.2Very high0 Ų021.7 Ų21.70%011%0.108CC..THydrogen-bonded Turntrans-91.6-6.7179.3-63.90000114Y302 P447 D472 Q503Y302-C474 HydrophobicContact CD2-CB 3.82Å; Y302-C474 HydrophobicContact CE2-CB 3.73Å; Y302-C474 VanDerWaalsContact CE2-O 3.26Å; Y302-C474 WeakPolarHBondContact CE2-O 3.11Å; Y302-C474 PolarHBondContact OH-O 2.93Å; P447-C474 WeakPolarHBondContact O-CB 3.27Å; D472-C474 PolarHBondContact O-N 3.15Å; D472-C474 VanDerWaalsContact O-N 3.16Å; C474-Q503 PolarHBondContact O-NE2 3.34Å; C474-Q503 VanDerWaalsContact O-NE2 3.13Å
475T98.4Very high96.5Very high0 Ų020.6 Ų20.60%010%0.102CC..THydrogen-bonded Turntrans-114.2-36.8-169.447.90000113.2G193 R197 V448 D472 A477 V478 N479G193-T475 CarbonylContact O-C 3.54Å; G193-T475 WeakPolarHBondContact O-CB 3.48Å; G193-T475 PolarHBondContact O-OG1 2.75Å; R197-T475 HydrophobicContact CB-CG2 4.45Å; R197-T475 PolarHBondContact NH1-O 3.48Å; R197-T475 PolarHBondContact NH2-O 3.27Å; V448-T475 HydrophobicContact CG1-CG2 4Å; V448-T475 WeakPolarHBondContact O-CG2 3.1Å; D472-T475 VanDerWaalsContact CA-OG1 3.24Å; D472-T475 WeakPolarHBondContact CA-OG1 3.28Å; D472-T475 WeakPolarHBondContact CB-OG1 3.45Å; D472-T475 PolarHBondContact O-N 2.87Å; D472-T475 PolarHBondContact O-OG1 3.33Å; T475-A477 PolarHBondContact O-N 3.49Å; T475-V478 WeakPolarHBondContact O-CB 3.47Å; T475-V478 PolarHBondContact O-N 2.79Å; T475-N479 PolarHBondContact O-OD1 3.22Å
476V98Very high96.8Very high0 Ų013 Ų130%07%0.073CC..Hα-helixtrans-58.9-43.1-174.9168.60000112.8G193 A341 T342 Y345 D472 V478 N479 L480G193-V476 WeakPolarHBondContact O-CA 3.34Å; G193-V476 WeakPolarHBondContact O-CG2 3.42Å; G193-V476 PolarHBondContact O-N 2.93Å; A341-V476 HydrophobicContact CB-CB 4.49Å; A341-V476 HydrophobicContact CB-CG1 4.12Å; A341-V476 WeakPolarHBondContact O-CG1 3.33Å; T342-V476 HydrophobicContact CG2-CG2 4.25Å; Y345-V476 HydrophobicContact CD2-CG1 3.93Å; Y345-V476 HydrophobicContact CG-CG1 3.72Å; Y345-V476 HydrophobicContact CG-CG2 4.29Å; D472-V476 HydrophobicContact CB-CG2 3.57Å; D472-V476 WeakPolarHBondContact O-CG2 3.35Å; D472-V476 PolarHBondContact O-N 3.21Å; V476-V478 PolarHBondContact O-N 3.11Å; V476-V478 VanDerWaalsContact O-N 3.14Å; V476-N479 PolarHBondContact O-N 3.33Å; V476-L480 HydrophobicContact CG1-CD1 4.04Å; V476-L480 HydrophobicContact CG1-CG 4.2Å; V476-L480 PolarHBondContact O-N 2.75Å; V476-L480 VanDerWaalsContact O-N 3.08Å
477A98.3Very high97Very high0 Ų010.6 Ų10.60%06%0.059CC..Hα-helixtrans-61-28.4-175.400000112.3T338 A341 I430 F434 T475 S481T338-A477 HydrophobicContact CG2-CB 3.82Å; A341-A477 HydrophobicContact CB-CB 3.65Å; I430-A477 HydrophobicContact CG2-CB 4.13Å; F434-A477 HydrophobicContact CE2-CB 3.85Å; F434-A477 HydrophobicContact CZ-CB 4.21Å; T475-A477 PolarHBondContact O-N 3.49Å; A477-S481 WeakPolarHBondContact O-CB 3.06Å; A477-S481 PolarHBondContact O-N 3.06Å; A477-S481 PolarHBondContact O-OG 3.04Å; A477-S481 VanDerWaalsContact O-OG 3.12Å
478V98.6Very high97.2Very high0 Ų09.6 Ų9.60%06%0.055CC..Hα-helixtrans-68-41.6175.7-172.80000111.4T475 V476 S481 G482 L483 A485 I505T475-V478 WeakPolarHBondContact O-CB 3.47Å; T475-V478 PolarHBondContact O-N 2.79Å; V476-V478 PolarHBondContact O-N 3.11Å; V476-V478 VanDerWaalsContact O-N 3.14Å; V478-S481 CarbonylContact O-C 3.54Å; V478-S481 PolarHBondContact O-N 3.06Å; V478-G482 PolarHBondContact O-N 3.05Å; V478-L483 HydrophobicContact CG1-CB 3.96Å; V478-L483 WeakPolarHBondContact CG1-O 3.45Å; V478-L483 PolarHBondContact O-N 3.39Å; V478-A485 HydrophobicContact CG1-CB 3.73Å; V478-I505 HydrophobicContact CG1-CG2 4Å; V478-I505 HydrophobicContact CG2-CD1 3.57Å; V478-I505 HydrophobicContact CG2-CG1 3.99Å; V478-I505 HydrophobicContact CG2-CG2 4.4Å
479N98.5Very high97.5Very high5 Ų59.7 Ų9.73%0.0276%0.056CC..Hα-helixtrans-67-43.3175.8-62.777.5000111.2D191 T192 G193 R197 T475 V476 S481 G482D191-N479 PolarHBondContact O-ND2 3.27Å; D191-N479 PolarHBondContact OD1-ND2 3.05Å; D191-N479 PolarHBondContact OD1-OD1 2.71Å; T192-N479 VanDerWaalsContact O-CB 3.22Å; T192-N479 WeakPolarHBondContact O-CB 3.41Å; T192-N479 PolarHBondContact O-ND2 3.34Å; T192-N479 VanDerWaalsContact O-ND2 3.15Å; G193-N479 VanDerWaalsContact C-OD1 3.32Å; G193-N479 VanDerWaalsContact CA-OD1 3.25Å; G193-N479 WeakPolarHBondContact CA-OD1 3.34Å; G193-N479 PolarHBondContact N-ND2 3.4Å; R197-N479 PolarHBondContact NH2-OD1 2.83Å; T475-N479 PolarHBondContact O-OD1 3.22Å; V476-N479 PolarHBondContact O-N 3.33Å; N479-S481 PolarHBondContact O-N 3.22Å; N479-G482 PolarHBondContact O-N 3.07Å
480L98.4Very high97.7Very high4 Ų47.4 Ų7.42%0.0214%0.042CC..Hα-helixtrans-55.1-40.3173.6-69.5179.6000110.3L227 A341 V344 L348 W427 I430 V476L227-L480 HydrophobicContact CD1-CD2 4.08Å; L227-L480 HydrophobicContact CD2-CD2 4.03Å; A341-L480 HydrophobicContact CB-CD1 3.96Å; V344-L480 HydrophobicContact CB-CD1 4.13Å; V344-L480 HydrophobicContact CG1-CD1 3.87Å; V344-L480 HydrophobicContact CG1-CD2 4.1Å; L348-L480 HydrophobicContact CD1-CD2 3.92Å; W427-L480 HydrophobicContact CD2-CD2 4.5Å; W427-L480 HydrophobicContact CG-CD2 4.19Å; W427-L480 VanDerWaalsContact NE1-C 3.33Å; W427-L480 PolarHBondContact NE1-O 2.84Å; I430-L480 HydrophobicContact CD1-CD1 3.8Å; I430-L480 HydrophobicContact CG2-CB 4.4Å; V476-L480 HydrophobicContact CG1-CD1 4.04Å; V476-L480 HydrophobicContact CG1-CG 4.2Å; V476-L480 PolarHBondContact O-N 2.75Å; V476-L480 VanDerWaalsContact O-N 3.08Å
481S98.4Very high97.9Very high1 Ų13.8 Ų3.81%0.0073%0.026CC..Hα-helixtrans-82.6-8.4177.6-59.80000114.3F434 A477 V478 N479 L483 Y508F434-S481 WeakPolarHBondContact CD2-OG 3.38Å; A477-S481 WeakPolarHBondContact O-CB 3.06Å; A477-S481 PolarHBondContact O-N 3.06Å; A477-S481 PolarHBondContact O-OG 3.04Å; A477-S481 VanDerWaalsContact O-OG 3.12Å; V478-S481 CarbonylContact O-C 3.54Å; V478-S481 PolarHBondContact O-N 3.06Å; N479-S481 PolarHBondContact O-N 3.22Å; S481-L483 PolarHBondContact O-N 3.17Å; S481-Y508 VanDerWaalsContact O-CZ 3.27Å; S481-Y508 PolarHBondContact O-OH 3.02Å
482G98.2Very high98Very high6 Ų66.5 Ų6.56%0.0624%0.04CC..THydrogen-bonded Turntrans68.813.5-179.300000115.2Y212 V478 N479 Y508Y212-G482 PolarHBondContact N-O 3.33Å; V478-G482 PolarHBondContact O-N 3.05Å; N479-G482 PolarHBondContact O-N 3.07Å; G482-Y508 WeakPolarHBondContact O-CE1 3.39Å
483L98.8Very high98Very high0 Ų06.4 Ų6.40%04%0.04CC..  trans-80.8147.3-171.7-63.7166.6000112.6K209 F434 M435 F438 V478 S481 I505 Y508K209-L483 WeakPolarHBondContact CE-O 3.27Å; K209-L483 PolarHBondContact NZ-O 3.44Å; F434-L483 HydrophobicContact CB-CD1 3.78Å; F434-L483 HydrophobicContact CD1-CD1 3.38Å; F434-L483 HydrophobicContact CD2-CD1 4.17Å; F434-L483 HydrophobicContact CE1-CD1 3.92Å; F434-L483 HydrophobicContact CG-CD1 3.51Å; M435-L483 HydrophobicContact CE-CD2 3.74Å; F438-L483 HydrophobicContact CD2-CD2 4.4Å; F438-L483 HydrophobicContact CE2-CD1 3.67Å; F438-L483 HydrophobicContact CE2-CD2 3.74Å; F438-L483 HydrophobicContact CE2-CG 4.31Å; F438-L483 HydrophobicContact CZ-CD1 4.31Å; V478-L483 HydrophobicContact CG1-CB 3.96Å; V478-L483 WeakPolarHBondContact CG1-O 3.45Å; V478-L483 PolarHBondContact O-N 3.39Å; S481-L483 PolarHBondContact O-N 3.17Å; L483-I505 HydrophobicContact CB-CG2 4.05Å; L483-I505 HydrophobicContact CD1-CG2 4.01Å; L483-Y508 HydrophobicContact CD2-CE1 4.48Å
484P98.8Very high97.8Very high0 Ų010.8 Ų10.80%07%0.069CC..  trans-67.6143.3170.929.2-32.1000111.4K209 T211 G506 P507 E511 L514K209-P484 CarbonylContact O-C 3.32Å; K209-P484 VanDerWaalsContact O-CA 3.28Å; K209-P484 WeakPolarHBondContact O-CA 3.45Å; T211-P484 VanDerWaalsContact OG1-CD 3.27Å; T211-P484 WeakPolarHBondContact OG1-CD 3.37Å; T211-P484 WeakPolarHBondContact OG1-CG 3.47Å; P484-G506 VanDerWaalsContact CD-O 3.31Å; P484-G506 WeakPolarHBondContact CD-O 3.44Å; P484-G506 PolarHBondContact O-N 3.02Å; P484-P507 WeakPolarHBondContact CD-O 3.47Å; P484-P507 WeakPolarHBondContact CG-O 3.37Å; P484-E511 HydrophobicContact CB-CG 4.09Å; P484-E511 WeakPolarHBondContact CB-OE1 3.44Å; P484-L514 HydrophobicContact CB-CD2 4.15Å
485A98.9Very high97.6Very high0 Ų016 Ų160%010%0.101CC..EExtended strand (participates in β ladder)trans-150145.1172.900000111.4K209 V478 Q503 L504 I505K209-A485 PolarHBondContact N-O 2.93Å; K209-A485 PolarHBondContact O-N 3.34Å; V478-A485 HydrophobicContact CG1-CB 3.73Å; A485-Q503 HydrophobicContact CB-CG 4.12Å; A485-L504 VanDerWaalsContact CA-O 3.28Å; A485-L504 WeakPolarHBondContact CA-O 3.19Å; A485-I505 HydrophobicContact CB-CB 4.48Å; A485-I505 HydrophobicContact CB-CG1 4.08Å; A485-I505 HydrophobicContact CB-CG2 4.49Å
486I98.9Very high97.3Very high0 Ų019.3 Ų19.30%011%0.113CC..EExtended strand (participates in β ladder)trans-124.1128.6179.8-177.2163.8000109.7V206 G207 L208 V237 Q503 L504 L514 L515 V518V206-I486 HydrophobicContact CG1-CD1 3.61Å; V206-I486 HydrophobicContact CG1-CG1 3.83Å; G207-I486 CarbonylContact O-C 3.59Å; G207-I486 WeakPolarHBondContact O-CA 3.21Å; L208-I486 HydrophobicContact CD1-CB 4.05Å; V237-I486 HydrophobicContact CG2-CD1 4.39Å; I486-Q503 CarbonylContact O-C 3.59Å; I486-Q503 WeakPolarHBondContact O-CA 3.39Å; I486-L504 HydrophobicContact CG2-CB 4.08Å; I486-L504 PolarHBondContact N-O 3.08Å; I486-L504 PolarHBondContact O-N 3.18Å; I486-L514 HydrophobicContact CB-CD2 4.45Å; I486-L514 HydrophobicContact CG2-CD1 4.25Å; I486-L514 HydrophobicContact CG2-CD2 3.98Å; I486-L514 HydrophobicContact CG2-CG 3.86Å; I486-L515 HydrophobicContact CD1-CD2 3.51Å; I486-V518 HydrophobicContact CD1-CB 4.36Å; I486-V518 HydrophobicContact CD1-CG1 4.08Å; I486-V518 HydrophobicContact CG1-CG1 4.44Å; I486-V518 HydrophobicContact CG2-CB 4.19Å; I486-V518 HydrophobicContact CG2-CG1 4.31Å; I486-V518 HydrophobicContact CG2-CG2 3.39Å
487S98.8Very high97.1Very high0 Ų020.5 Ų20.50%013%0.125CC..EExtended strand (participates in β ladder)trans-94.1135.5167.5174.30000109.1R197 A201 V206 G207 V448 L502R197-S487 WeakPolarHBondContact O-CB 3.45Å; R197-S487 PolarHBondContact O-OG 3.17Å; A201-S487 WeakPolarHBondContact CB-OG 3.38Å; V206-S487 CarbonylContact C-O 3.48Å; V206-S487 WeakPolarHBondContact CA-O 3.18Å; G207-S487 PolarHBondContact N-O 3.29Å; G207-S487 PolarHBondContact O-N 3.24Å; V448-S487 WeakPolarHBondContact CG2-OG 3.28Å; S487-L502 WeakPolarHBondContact CA-O 3.29Å
488F98.6Very high97Very high0 Ų020.5 Ų20.50%013%0.125CC..EExtended strand (participates in β ladder)trans-147.7141.918059.5-78.9000111V206 L445 V490 S501 L502 L504 V518 L521V206-F488 HydrophobicContact CG2-CB 4.39Å; L445-F488 HydrophobicContact CD1-CZ 4.41Å; F488-V490 HydrophobicContact CD2-CG1 3.63Å; F488-V490 HydrophobicContact CE2-CG1 3.38Å; F488-V490 HydrophobicContact CZ-CG1 4.32Å; F488-S501 CarbonylContact O-C 3.46Å; F488-S501 VanDerWaalsContact O-CA 3.22Å; F488-S501 WeakPolarHBondContact O-CA 3.47Å; F488-S501 VanDerWaalsContact O-CB 3.28Å; F488-S501 WeakPolarHBondContact O-CB 3.48Å; F488-L502 WeakPolarHBondContact CD1-O 3.47Å; F488-L502 HydrophobicContact CZ-CB 4.31Å; F488-L502 PolarHBondContact N-O 3.35Å; F488-L502 PolarHBondContact O-N 3.33Å; F488-L504 HydrophobicContact CE1-CB 4.09Å; F488-V518 HydrophobicContact CB-CG1 3.78Å; F488-V518 HydrophobicContact CD1-CB 4.45Å; F488-V518 HydrophobicContact CD1-CG1 3.37Å; F488-V518 HydrophobicContact CD1-CG2 4.17Å; F488-V518 HydrophobicContact CD2-CG1 3.84Å; F488-V518 HydrophobicContact CE1-CG1 3.85Å; F488-V518 HydrophobicContact CE1-CG2 3.96Å; F488-V518 HydrophobicContact CE2-CG1 4.25Å; F488-V518 HydrophobicContact CG-CG1 3.38Å; F488-V518 HydrophobicContact CZ-CG1 4.27Å; F488-L521 HydrophobicContact CE2-CB 3.92Å; F488-L521 HydrophobicContact CE2-CD1 4Å; F488-L521 HydrophobicContact CZ-CB 4.44Å; F488-L521 HydrophobicContact CZ-CD1 3.7Å
489P98.3Very high96.9Very high6 Ų620.6 Ų20.64%0.03913%0.126CC..EExtended strand (participates in β ladder)trans-73.1139.3177.831.9-35.4000111.1S501 F527P489-S501 WeakPolarHBondContact CA-OG 3.43Å; P489-F527 HydrophobicContact CB-CB 4.46Å; P489-F527 HydrophobicContact CB-CD1 3.64Å; P489-F527 HydrophobicContact CB-CD2 3.81Å; P489-F527 HydrophobicContact CB-CE1 3.69Å; P489-F527 HydrophobicContact CB-CE2 3.85Å; P489-F527 HydrophobicContact CB-CG 3.7Å; P489-F527 HydrophobicContact CB-CZ 3.8Å; P489-F527 HydrophobicContact CG-CB 4.46Å; P489-F527 HydrophobicContact CG-CD1 3.51Å; P489-F527 HydrophobicContact CG-CE1 3.78Å; P489-F527 HydrophobicContact CG-CG 3.92Å; P489-F527 HydrophobicContact CG-CZ 4.4Å
490V97.9Very high96.9Very high3 Ų320.5 Ų20.52%0.01813%0.126CC..EExtended strand (participates in β ladder)trans-122-15.8-177-66.10000113.3M314 V318 F488 I500 L502 A525M314-V490 HydrophobicContact CG-CB 4.42Å; M314-V490 HydrophobicContact CG-CG2 3.36Å; M314-V490 HydrophobicContact SD-CB 4.39Å; M314-V490 HydrophobicContact SD-CG2 3.9Å; V318-V490 HydrophobicContact CG2-CB 3.97Å; V318-V490 HydrophobicContact CG2-CG1 3.97Å; V318-V490 HydrophobicContact CG2-CG2 4.24Å; F488-V490 HydrophobicContact CD2-CG1 3.63Å; F488-V490 HydrophobicContact CE2-CG1 3.38Å; F488-V490 HydrophobicContact CZ-CG1 4.32Å; V490-I500 HydrophobicContact CG2-CG2 4.2Å; V490-I500 VanDerWaalsContact CG2-O 3.28Å; V490-I500 WeakPolarHBondContact CG2-O 3.25Å; V490-I500 PolarHBondContact N-O 3.46Å; V490-L502 HydrophobicContact CG1-CB 4.38Å; V490-L502 HydrophobicContact CG1-CD1 4.35Å; V490-L502 HydrophobicContact CG1-CG 4.31Å; V490-L502 HydrophobicContact CG2-CD1 4.23Å; V490-L502 HydrophobicContact CG2-CG 3.92Å; V490-A525 HydrophobicContact CB-CB 4.49Å
491G96.8Very high96.9Very high12 Ų1220.8 Ų20.812%0.12413%0.128CC..EExtended strand (participates in β ladder)trans178.5-177.1179.100000112.5I500 F527G491-I500 PolarHBondContact N-O 2.81Å; G491-I500 PolarHBondContact O-N 3.07Å; G491-F527 WeakPolarHBondContact O-CE2 3.38Å
492L96.5Very high97Very high69 Ų6920.8 Ų20.836%0.36113%0.128SC..EExtended strand (participates in β ladder)trans-108.8140.7171.6-64175.3000109.6W156 P494 L498 P499 F527W156-L492 HydrophobicContact CE3-CD2 4.36Å; W156-L492 HydrophobicContact CH2-CD2 3.62Å; W156-L492 HydrophobicContact CZ3-CD1 4.35Å; W156-L492 HydrophobicContact CZ3-CD2 3.51Å; L492-P494 WeakPolarHBondContact O-CD 3.15Å; L492-L498 CarbonylContact C-O 3.59Å; L492-L498 WeakPolarHBondContact CA-O 3.31Å; L492-P499 HydrophobicContact CD2-CG 4.45Å; L492-F527 HydrophobicContact CD2-CE2 3.65Å; L492-F527 HydrophobicContact CD2-CZ 4.18Å; L492-F527 HydrophobicContact CG-CE2 4.16Å
493S95.4Very high97Very high2 Ų220.5 Ų20.51%0.01413%0.125CC..  trans-53.8123.8168.8160.30000110E310 T495 R496 G497 L498E310-S493 WeakPolarHBondContact OE2-CB 3.5Å; E310-S493 PolarHBondContact OE2-OG 2.93Å; S493-T495 PolarHBondContact O-N 2.98Å; S493-T495 PolarHBondContact OG-N 3.16Å; S493-T495 PolarHBondContact OG-OG1 3.42Å; S493-T495 VanDerWaalsContact OG-OG1 3.12Å; S493-R496 PolarHBondContact OG-N 3.42Å; S493-G497 VanDerWaalsContact O-CA 3.24Å; S493-G497 WeakPolarHBondContact O-CA 3.29Å; S493-G497 PolarHBondContact O-N 3.18Å; S493-L498 WeakPolarHBondContact CB-O 3.31Å; S493-L498 PolarHBondContact N-O 3.21Å
494P92.7Very high97Very high118 Ų11820.5 Ų20.577%0.76613%0.125SC*.THydrogen-bonded Turntrans-62.2-28.4175.9-23.734.3000112.8L492L492-P494 WeakPolarHBondContact O-CD 3.15Å
495T92.1Very high97Very high111 Ų11120.5 Ų20.568%0.68113%0.125SC*.THydrogen-bonded Turntrans-88.9-36.8-173.4650000113E310 S493E310-T495 PolarHBondContact OE2-OG1 3.02Å; S493-T495 PolarHBondContact O-N 2.98Å; S493-T495 PolarHBondContact OG-N 3.16Å; S493-T495 PolarHBondContact OG-OG1 3.42Å; S493-T495 VanDerWaalsContact OG-OG1 3.12Å
496R92.4Very high97Very high68 Ų6820.5 Ų20.526%0.25713%0.125SC..THydrogen-bonded Turntrans-118.1-9.2-174.1-64-177.468.4-159.5-3.5114.2L452 P453 S493 L498L452-R496 HydrophobicContact CD1-CB 4.31Å; P453-R496 PolarHBondContact O-NH1 2.95Å; P453-R496 PolarHBondContact O-NH2 3.26Å; S493-R496 PolarHBondContact OG-N 3.42Å; R496-L498 HydrophobicContact CB-CD1 3.96Å; R496-L498 HydrophobicContact CB-CG 3.98Å; R496-L498 VanDerWaalsContact CZ-CD1 3.47Å; R496-L498 PolarHBondContact O-N 2.86Å
497G93.6Very high97Very high25 Ų2522.4 Ų22.426%0.25814%0.138SC..  trans63.222.1-177.300000114S493S493-G497 VanDerWaalsContact O-CA 3.24Å; S493-G497 WeakPolarHBondContact O-CA 3.29Å; S493-G497 PolarHBondContact O-N 3.18Å
498L96.1Very high96.9Very high0 Ų026 Ų260%015%0.152CC..PPolyproline II helixtrans-97.3154179.6-62.6173.8000110.9W156 K159 L166 L452 P453 L492 S493 R496 I500W156-L498 HydrophobicContact CB-CD2 3.87Å; K159-L498 HydrophobicContact CB-CD2 4.39Å; L166-L498 HydrophobicContact CD1-CD1 3.68Å; L166-L498 HydrophobicContact CD1-CD2 3.66Å; L166-L498 HydrophobicContact CD1-CG 4.34Å; L452-L498 HydrophobicContact CB-CD1 4.48Å; L452-L498 HydrophobicContact CD1-CB 4.36Å; L452-L498 HydrophobicContact CD1-CD1 4.47Å; P453-L498 HydrophobicContact CG-CD1 4.21Å; L492-L498 CarbonylContact C-O 3.59Å; L492-L498 WeakPolarHBondContact CA-O 3.31Å; S493-L498 WeakPolarHBondContact CB-O 3.31Å; S493-L498 PolarHBondContact N-O 3.21Å; R496-L498 HydrophobicContact CB-CD1 3.96Å; R496-L498 HydrophobicContact CB-CG 3.98Å; R496-L498 VanDerWaalsContact CZ-CD1 3.47Å; R496-L498 PolarHBondContact O-N 2.86Å; L498-I500 PolarHBondContact O-N 3.24Å
499P97.6Very high96.9Very high3 Ų328.6 Ų28.62%0.01916%0.163CC..EExtended strand (participates in β ladder)trans-59.2130.8178-23.934.9000112.8W156 L452 L492 F527W156-P499 HydrophobicContact CD2-CG 3.65Å; W156-P499 HydrophobicContact CE3-CG 4.19Å; W156-P499 HydrophobicContact CG-CG 3.99Å; W156-P499 HydrophobicContact CH2-CG 4.31Å; W156-P499 HydrophobicContact CZ2-CG 3.75Å; W156-P499 HydrophobicContact CZ3-CG 4.5Å; L452-P499 WeakPolarHBondContact CD2-O 3.42Å; L492-P499 HydrophobicContact CD2-CG 4.45Å; P499-F527 HydrophobicContact CB-CE2 4.28Å; P499-F527 HydrophobicContact CB-CZ 4.11Å; P499-F527 HydrophobicContact CG-CZ 4.18Å
500I98.3Very high96.8Very high3 Ų328.9 Ų28.92%0.01517%0.165CC..EExtended strand (participates in β ladder)trans-101.7126160.9-62.7170.1000106.8E310 I311 M314 L452 V490 G491 L498E310-I500 HydrophobicContact CB-CD1 4.32Å; E310-I500 HydrophobicContact CG-CD1 4.27Å; I311-I500 HydrophobicContact CG1-CG2 4.39Å; M314-I500 HydrophobicContact CB-CD1 4.43Å; M314-I500 HydrophobicContact CB-CG2 3.83Å; M314-I500 HydrophobicContact CG-CB 4.37Å; M314-I500 HydrophobicContact CG-CG2 3.67Å; L452-I500 HydrophobicContact CD2-CG1 3.9Å; V490-I500 HydrophobicContact CG2-CG2 4.2Å; V490-I500 VanDerWaalsContact CG2-O 3.28Å; V490-I500 WeakPolarHBondContact CG2-O 3.25Å; V490-I500 PolarHBondContact N-O 3.46Å; G491-I500 PolarHBondContact N-O 2.81Å; G491-I500 PolarHBondContact O-N 3.07Å; L498-I500 PolarHBondContact O-N 3.24Å
501S98.7Very high96.8Very high10 Ų1028.7 Ų28.77%0.0716%0.164CC..EExtended strand (participates in β ladder)trans-127145.7-179.3-58.40000110.5A201 F488 P489A201-S501 VanDerWaalsContact CA-CB 3.5Å; A201-S501 WeakPolarHBondContact CA-OG 3.24Å; A201-S501 PolarHBondContact O-OG 2.82Å; F488-S501 CarbonylContact O-C 3.46Å; F488-S501 VanDerWaalsContact O-CA 3.22Å; F488-S501 WeakPolarHBondContact O-CA 3.47Å; F488-S501 VanDerWaalsContact O-CB 3.28Å; F488-S501 WeakPolarHBondContact O-CB 3.48Å; P489-S501 WeakPolarHBondContact CA-OG 3.43Å
502L98.8Very high96.8Very high0 Ų028.3 Ų28.30%016%0.159CC..EExtended strand (participates in β ladder)trans-116167.3175.4-61.7-179.3000110.4W315 V318 L445 V448 S487 F488 V490W315-L502 HydrophobicContact CB-CD2 4.12Å; W315-L502 HydrophobicContact CG-CD2 4.41Å; V318-L502 HydrophobicContact CB-CD1 3.52Å; V318-L502 HydrophobicContact CG1-CD1 3.83Å; V318-L502 HydrophobicContact CG2-CD1 3.55Å; L445-L502 HydrophobicContact CD1-CB 4.14Å; L445-L502 HydrophobicContact CD1-CD1 4.14Å; L445-L502 HydrophobicContact CD2-CD1 4.46Å; V448-L502 VanDerWaalsContact CG2-C 3.48Å; S487-L502 WeakPolarHBondContact CA-O 3.29Å; F488-L502 WeakPolarHBondContact CD1-O 3.47Å; F488-L502 HydrophobicContact CZ-CB 4.31Å; F488-L502 PolarHBondContact N-O 3.35Å; F488-L502 PolarHBondContact O-N 3.33Å; V490-L502 HydrophobicContact CG1-CB 4.38Å; V490-L502 HydrophobicContact CG1-CD1 4.35Å; V490-L502 HydrophobicContact CG1-CG 4.31Å; V490-L502 HydrophobicContact CG2-CD1 4.23Å; V490-L502 HydrophobicContact CG2-CG 3.92Å
503Q98.8Very high96.7Very high0 Ų029.4 Ų29.40%016%0.163CC..EExtended strand (participates in β ladder)trans-121.6132.1179.6169.7-177.2-114.400110.1T446 V448 C474 A485 I486 I505T446-Q503 PolarHBondContact N-O 3.18Å; T446-Q503 PolarHBondContact O-N 3.1Å; T446-Q503 WeakPolarHBondContact OG1-CB 3.36Å; T446-Q503 PolarHBondContact OG1-NE2 2.96Å; T446-Q503 PolarHBondContact OG1-O 3.49Å; V448-Q503 HydrophobicContact CG2-CB 3.8Å; C474-Q503 PolarHBondContact O-NE2 3.34Å; C474-Q503 VanDerWaalsContact O-NE2 3.13Å; A485-Q503 HydrophobicContact CB-CG 4.12Å; I486-Q503 CarbonylContact O-C 3.59Å; I486-Q503 WeakPolarHBondContact O-CA 3.39Å; Q503-I505 HydrophobicContact CG-CG1 3.9Å
504L98.8Very high96.8Very high0 Ų029.3 Ų29.30%016%0.162CC..EExtended strand (participates in β ladder)trans-107.7131166-160.772.6000109.4F443 I444 L445 A485 I486 F488 L514 L517 V518F443-L504 HydrophobicContact CB-CD1 3.92Å; F443-L504 HydrophobicContact CB-CD2 4.18Å; F443-L504 HydrophobicContact CB-CG 4Å; F443-L504 HydrophobicContact CD1-CD2 4.38Å; F443-L504 HydrophobicContact CG-CD2 4.19Å; F443-L504 HydrophobicContact CG-CG 4.42Å; I444-L504 WeakPolarHBondContact O-CA 3.2Å; L445-L504 HydrophobicContact CB-CD1 4.05Å; L445-L504 HydrophobicContact CD1-CD1 4.19Å; A485-L504 VanDerWaalsContact CA-O 3.28Å; A485-L504 WeakPolarHBondContact CA-O 3.19Å; I486-L504 HydrophobicContact CG2-CB 4.08Å; I486-L504 PolarHBondContact N-O 3.08Å; I486-L504 PolarHBondContact O-N 3.18Å; F488-L504 HydrophobicContact CE1-CB 4.09Å; L504-L514 HydrophobicContact CB-CD1 3.91Å; L504-L514 HydrophobicContact CD2-CD1 3.58Å; L504-L514 HydrophobicContact CG-CD1 3.66Å; L504-L517 HydrophobicContact CD2-CB 4.26Å; L504-L517 HydrophobicContact CD2-CD2 3.62Å; L504-L517 HydrophobicContact CD2-CG 3.93Å; L504-V518 HydrophobicContact CB-CG2 3.82Å; L504-V518 HydrophobicContact CD2-CG2 3.6Å; L504-V518 HydrophobicContact CG-CG2 4.36Å
505I98.9Very high97Very high0 Ų023.7 Ų23.70%013%0.125CC..EExtended strand (participates in β ladder)trans-113.5133.1-179.6-50.1162000108.1F434 F438 F443 I444 T446 V478 L483 A485 Q503F434-I505 HydrophobicContact CE1-CD1 4.25Å; F434-I505 HydrophobicContact CE1-CG2 4.5Å; F438-I505 HydrophobicContact CZ-CG2 4.18Å; F443-I505 CarbonylContact C-O 3.4Å; F443-I505 WeakPolarHBondContact CA-O 3.49Å; I444-I505 HydrophobicContact CB-CB 4.27Å; I444-I505 HydrophobicContact CB-CD1 4.46Å; I444-I505 PolarHBondContact N-O 2.7Å; I444-I505 PolarHBondContact O-N 2.82Å; T446-I505 HydrophobicContact CG2-CD1 4.01Å; V478-I505 HydrophobicContact CG1-CG2 4Å; V478-I505 HydrophobicContact CG2-CD1 3.57Å; V478-I505 HydrophobicContact CG2-CG1 3.99Å; V478-I505 HydrophobicContact CG2-CG2 4.4Å; L483-I505 HydrophobicContact CB-CG2 4.05Å; L483-I505 HydrophobicContact CD1-CG2 4.01Å; A485-I505 HydrophobicContact CB-CB 4.48Å; A485-I505 HydrophobicContact CB-CG1 4.08Å; A485-I505 HydrophobicContact CB-CG2 4.49Å; Q503-I505 HydrophobicContact CG-CG1 3.9Å
506G98.7Very high97.1Very high0 Ų018.6 Ų18.60%09%0.094CC..  trans-116.8168.5176.500000113.4F438 P484F438-G506 VanDerWaalsContact CZ-C 3.41Å; F438-G506 WeakPolarHBondContact CZ-O 3.36Å; P484-G506 VanDerWaalsContact CD-O 3.31Å; P484-G506 WeakPolarHBondContact CD-O 3.44Å; P484-G506 PolarHBondContact O-N 3.02Å
507P98.3Very high97.2Very high41 Ų4115.7 Ų15.727%0.2668%0.084SC..SBendtrans-68.6172.5169.929-34.1000111.2F438 D442 P484 F509 S510F438-P507 HydrophobicContact CD1-CB 4.28Å; F438-P507 HydrophobicContact CD1-CG 4.44Å; F438-P507 HydrophobicContact CD2-CB 4.23Å; F438-P507 HydrophobicContact CG-CB 4.11Å; D442-P507 WeakPolarHBondContact O-CD 3.28Å; P484-P507 WeakPolarHBondContact CD-O 3.47Å; P484-P507 WeakPolarHBondContact CG-O 3.37Å; P507-F509 PolarHBondContact O-N 3.18Å; P507-S510 WeakPolarHBondContact CD-OG 3.35Å; P507-S510 WeakPolarHBondContact O-CB 3.47Å; P507-S510 PolarHBondContact O-N 3.44Å; P507-S510 PolarHBondContact O-OG 2.88Å
508Y98.2Very high97.4Very high76 Ų7614.5 Ų14.530%0.2987%0.071SC..THydrogen-bonded Turntrans-54.8134.8-179.8-67.9-67.6000112.4T211 K431 M435 S481 G482 L483 S510T211-Y508 HydrophobicContact CG2-CD1 3.7Å; K431-Y508 WeakPolarHBondContact CE-OH 3.21Å; K431-Y508 PolarHBondContact NZ-OH 3.06Å; K431-Y508 VanDerWaalsContact NZ-OH 3.16Å; M435-Y508 HydrophobicContact CE-CD2 4.14Å; M435-Y508 HydrophobicContact CE-CE2 3.58Å; M435-Y508 HydrophobicContact SD-CD2 4.29Å; M435-Y508 HydrophobicContact SD-CE2 3.73Å; S481-Y508 VanDerWaalsContact O-CZ 3.27Å; S481-Y508 PolarHBondContact O-OH 3.02Å; G482-Y508 WeakPolarHBondContact O-CE1 3.39Å; L483-Y508 HydrophobicContact CD2-CE1 4.48Å; Y508-S510 PolarHBondContact O-N 2.98Å
509F97.8Very high97.3Very high54 Ų5414.7 Ų14.724%0.2377%0.073CC..THydrogen-bonded Turntrans62.121.9174.6-46.5-66.9000115.1T211 L214 L265 F269 P507 E511T211-F509 HydrophobicContact CG2-CD1 3.76Å; T211-F509 HydrophobicContact CG2-CE1 3.51Å; T211-F509 HydrophobicContact CG2-CG 4.39Å; T211-F509 HydrophobicContact CG2-CZ 3.95Å; T211-F509 PolarHBondContact OG1-N 2.84Å; L214-F509 HydrophobicContact CB-CE1 4.46Å; L214-F509 HydrophobicContact CD1-CD1 3.88Å; L214-F509 HydrophobicContact CD1-CE1 4.24Å; L265-F509 HydrophobicContact CD1-CD1 4Å; L265-F509 HydrophobicContact CD1-CE1 3.94Å; L265-F509 HydrophobicContact CD2-CD1 4.47Å; L265-F509 HydrophobicContact CD2-CE1 4.17Å; L265-F509 HydrophobicContact CD2-CE2 4.25Å; L265-F509 HydrophobicContact CD2-CZ 4.05Å; F269-F509 HydrophobicContact CE1-CB 4.17Å; F269-F509 HydrophobicContact CZ-CB 3.81Å; P507-F509 PolarHBondContact O-N 3.18Å; F509-E511 VanDerWaalsContact C-N 3.34Å; F509-E511 WeakPolarHBondContact CA-OE2 3.2Å
510S97Very high97.1Very high11 Ų1118 Ų188%0.0779%0.087CC..  trans-92.318.2178.678.70000113.6P507 Y508 C512 Q513 L514P507-S510 WeakPolarHBondContact CD-OG 3.35Å; P507-S510 WeakPolarHBondContact O-CB 3.47Å; P507-S510 PolarHBondContact O-N 3.44Å; P507-S510 PolarHBondContact O-OG 2.88Å; Y508-S510 PolarHBondContact O-N 2.98Å; S510-C512 VanDerWaalsContact C-N 3.27Å; S510-C512 PolarHBondContact O-N 3.37Å; S510-Q513 PolarHBondContact O-N 3.42Å; S510-L514 VanDerWaalsContact O-CB 3.27Å; S510-L514 WeakPolarHBondContact O-CB 3.49Å; S510-L514 PolarHBondContact O-N 3.21Å
511E98Very high97Very high0 Ų017.9 Ų17.90%09%0.087CC..Hα-helixtrans-55.9-39.4-170.7-71.978-176.800112.8T211 L214 L244 M273 P484 F509 L514 L515T211-E511 WeakPolarHBondContact CA-OE1 3.28Å; T211-E511 WeakPolarHBondContact CB-OE1 3.25Å; T211-E511 PolarHBondContact N-OE1 3.23Å; T211-E511 PolarHBondContact OG1-OE1 2.87Å; L214-E511 HydrophobicContact CD2-CG 4.1Å; L214-E511 WeakPolarHBondContact CD2-OE1 3.38Å; L244-E511 HydrophobicContact CD2-CB 4.05Å; L244-E511 HydrophobicContact CD2-CG 4.33Å; M273-E511 HydrophobicContact CE-CB 4.18Å; P484-E511 HydrophobicContact CB-CG 4.09Å; P484-E511 WeakPolarHBondContact CB-OE1 3.44Å; F509-E511 VanDerWaalsContact C-N 3.34Å; F509-E511 WeakPolarHBondContact CA-OE2 3.2Å; E511-L514 PolarHBondContact O-N 3.44Å; E511-L515 VanDerWaalsContact O-CB 3.26Å; E511-L515 WeakPolarHBondContact O-CB 3.25Å; E511-L515 WeakPolarHBondContact O-CD1 3.39Å; E511-L515 WeakPolarHBondContact O-CG 3.38Å; E511-L515 PolarHBondContact O-N 3.04Å
512C96.2Very high96.8Very high4 Ų419.3 Ų19.33%0.0279%0.092CC..Hα-helixtrans-67.7-45.4-177.2-55.40000111.8E276 S510 L515 S516E276-C512 HydrophobicContact CB-CB 4Å; E276-C512 WeakPolarHBondContact OE2-CB 3.35Å; S510-C512 VanDerWaalsContact C-N 3.27Å; S510-C512 PolarHBondContact O-N 3.37Å; C512-L515 PolarHBondContact O-N 3.41Å; C512-S516 WeakPolarHBondContact O-CB 3.5Å; C512-S516 PolarHBondContact O-N 3.33Å
513Q94.8Very high96.5Very high92 Ų9223.7 Ų23.743%0.4311%0.113SC..Hα-helixtrans-66.9-39.6174.4-70.3-179.3-1900111.9F443 S510 S516 L517F443-Q513 HydrophobicContact CE2-CB 4.49Å; F443-Q513 HydrophobicContact CZ-CB 3.81Å; S510-Q513 PolarHBondContact O-N 3.42Å; Q513-S516 PolarHBondContact O-N 3.15Å; Q513-L517 PolarHBondContact O-N 3.45Å
514L96.9Very high96.2Very high0 Ų027 Ų270%013%0.128CC..Hα-helixtrans-59.5-50.5175.9-175.971.2000110.7F443 P484 I486 L504 S510 E511 L517 V518F443-L514 HydrophobicContact CD1-CD1 3.44Å; F443-L514 VanDerWaalsContact CD1-CD1 3.44Å; F443-L514 HydrophobicContact CE1-CB 3.81Å; F443-L514 HydrophobicContact CE1-CD1 3.63Å; F443-L514 HydrophobicContact CE1-CG 4.35Å; F443-L514 HydrophobicContact CG-CD1 4.41Å; F443-L514 HydrophobicContact CZ-CB 4.43Å; P484-L514 HydrophobicContact CB-CD2 4.15Å; I486-L514 HydrophobicContact CB-CD2 4.45Å; I486-L514 HydrophobicContact CG2-CD1 4.25Å; I486-L514 HydrophobicContact CG2-CD2 3.98Å; I486-L514 HydrophobicContact CG2-CG 3.86Å; L504-L514 HydrophobicContact CB-CD1 3.91Å; L504-L514 HydrophobicContact CD2-CD1 3.58Å; L504-L514 HydrophobicContact CG-CD1 3.66Å; S510-L514 VanDerWaalsContact O-CB 3.27Å; S510-L514 WeakPolarHBondContact O-CB 3.49Å; S510-L514 PolarHBondContact O-N 3.21Å; E511-L514 PolarHBondContact O-N 3.44Å; L514-L517 PolarHBondContact O-N 3.31Å; L514-V518 VanDerWaalsContact O-CG2 3.3Å; L514-V518 WeakPolarHBondContact O-CG2 3.34Å; L514-V518 PolarHBondContact O-N 3.36Å
515L97.1Very high96Very high0 Ų027.7 Ų27.70%013%0.134CC..Hα-helixtrans-63.2-41.9177.5-72.6166.7000111.5L208 V237 V240 L244 L277 L280 I486 E511 C512 L517 V518 A519L208-L515 HydrophobicContact CD2-CD1 4.37Å; L208-L515 HydrophobicContact CD2-CD2 4.36Å; V237-L515 HydrophobicContact CG1-CB 4.1Å; V237-L515 HydrophobicContact CG1-CD2 3.7Å; V237-L515 WeakPolarHBondContact CG1-O 3.39Å; V240-L515 HydrophobicContact CB-CD2 4.49Å; V240-L515 HydrophobicContact CG1-CD2 3.92Å; L244-L515 HydrophobicContact CD2-CD1 4.03Å; L277-L515 HydrophobicContact CD2-CD1 3.51Å; L280-L515 HydrophobicContact CD1-CB 3.91Å; I486-L515 HydrophobicContact CD1-CD2 3.51Å; E511-L515 VanDerWaalsContact O-CB 3.26Å; E511-L515 WeakPolarHBondContact O-CB 3.25Å; E511-L515 WeakPolarHBondContact O-CD1 3.39Å; E511-L515 WeakPolarHBondContact O-CG 3.38Å; E511-L515 PolarHBondContact O-N 3.04Å; C512-L515 PolarHBondContact O-N 3.41Å; L515-L517 PolarHBondContact O-N 3.05Å; L515-V518 PolarHBondContact O-N 2.94Å; L515-A519 WeakPolarHBondContact O-CB 3.49Å; L515-A519 PolarHBondContact O-N 3.32Å
516S94.7Very high95.7Very high4 Ų431.8 Ų31.83%0.02816%0.162CC..Hα-helixtrans-58.9-47176.5178.90000112.1T288 C512 Q513 A519 K520T288-S516 PolarHBondContact OG1-OG 3.1Å; C512-S516 WeakPolarHBondContact O-CB 3.5Å; C512-S516 PolarHBondContact O-N 3.33Å; Q513-S516 PolarHBondContact O-N 3.15Å; S516-A519 PolarHBondContact O-N 2.87Å; S516-K520 WeakPolarHBondContact O-CG 3.41Å; S516-K520 PolarHBondContact O-N 3.1Å
517L94.6Very high95.6Very high6 Ų633.2 Ų33.23%0.03117%0.168CC..Hα-helixtrans-64.2-43.3177.5-179.955.2000111.7L294 I296 L322 L326 F443 L504 Q513 L514 L515 A519 K520 L521L294-L517 HydrophobicContact CD1-CD1 4.42Å; L294-L517 HydrophobicContact CD1-CD2 3.95Å; I296-L517 HydrophobicContact CD1-CD2 3.77Å; L322-L517 HydrophobicContact CD2-CD1 3.89Å; L322-L517 HydrophobicContact CD2-CD2 4.37Å; L322-L517 HydrophobicContact CD2-CG 4.42Å; L326-L517 HydrophobicContact CD1-CD1 3.86Å; F443-L517 HydrophobicContact CD2-CD2 3.73Å; F443-L517 HydrophobicContact CE2-CD2 4.26Å; F443-L517 HydrophobicContact CG-CD2 4.3Å; L504-L517 HydrophobicContact CD2-CB 4.26Å; L504-L517 HydrophobicContact CD2-CD2 3.62Å; L504-L517 HydrophobicContact CD2-CG 3.93Å; Q513-L517 PolarHBondContact O-N 3.45Å; L514-L517 PolarHBondContact O-N 3.31Å; L515-L517 PolarHBondContact O-N 3.05Å; L517-A519 VanDerWaalsContact C-N 3.35Å; L517-A519 PolarHBondContact O-N 3.44Å; L517-K520 WeakPolarHBondContact O-CB 3.43Å; L517-K520 PolarHBondContact O-N 3.1Å; L517-L521 PolarHBondContact O-N 3.37Å; L517-L521 VanDerWaalsContact O-N 3.12Å
518V96.5Very high95.3Very high0 Ų037.7 Ų37.70%019%0.185CC..Hα-helixtrans-68.9-32.6178.8-179.60000112.2V237 I486 F488 L504 L514 L515 K520 L521 E522V237-V518 HydrophobicContact CG2-CB 4.3Å; V237-V518 HydrophobicContact CG2-CG1 3.68Å; I486-V518 HydrophobicContact CD1-CB 4.36Å; I486-V518 HydrophobicContact CD1-CG1 4.08Å; I486-V518 HydrophobicContact CG1-CG1 4.44Å; I486-V518 HydrophobicContact CG2-CB 4.19Å; I486-V518 HydrophobicContact CG2-CG1 4.31Å; I486-V518 HydrophobicContact CG2-CG2 3.39Å; F488-V518 HydrophobicContact CB-CG1 3.78Å; F488-V518 HydrophobicContact CD1-CB 4.45Å; F488-V518 HydrophobicContact CD1-CG1 3.37Å; F488-V518 HydrophobicContact CD1-CG2 4.17Å; F488-V518 HydrophobicContact CD2-CG1 3.84Å; F488-V518 HydrophobicContact CE1-CG1 3.85Å; F488-V518 HydrophobicContact CE1-CG2 3.96Å; F488-V518 HydrophobicContact CE2-CG1 4.25Å; F488-V518 HydrophobicContact CG-CG1 3.38Å; F488-V518 HydrophobicContact CZ-CG1 4.27Å; L504-V518 HydrophobicContact CB-CG2 3.82Å; L504-V518 HydrophobicContact CD2-CG2 3.6Å; L504-V518 HydrophobicContact CG-CG2 4.36Å; L514-V518 VanDerWaalsContact O-CG2 3.3Å; L514-V518 WeakPolarHBondContact O-CG2 3.34Å; L514-V518 PolarHBondContact O-N 3.36Å; L515-V518 PolarHBondContact O-N 2.94Å; V518-K520 VanDerWaalsContact C-N 3.29Å; V518-K520 PolarHBondContact O-N 3.05Å; V518-L521 CarbonylContact O-C 3.48Å; V518-L521 PolarHBondContact O-N 3.36Å; V518-E522 WeakPolarHBondContact O-CB 3.47Å; V518-E522 PolarHBondContact O-N 3.12Å
519A95Very high95.1Very high5 Ų537.2 Ų37.24%0.04119%0.191CC..Hα-helixtrans-63.9-35.317400000112.1V237 L285 L515 S516 L517 H523V237-A519 HydrophobicContact CB-CB 4.11Å; V237-A519 HydrophobicContact CG1-CB 3.85Å; L285-A519 HydrophobicContact CD2-CB 3.49Å; L285-A519 VanDerWaalsContact CD2-CB 3.49Å; L515-A519 WeakPolarHBondContact O-CB 3.49Å; L515-A519 PolarHBondContact O-N 3.32Å; S516-A519 PolarHBondContact O-N 2.87Å; L517-A519 VanDerWaalsContact C-N 3.35Å; L517-A519 PolarHBondContact O-N 3.44Å; A519-H523 PolarHBondContact O-N 2.97Å; A519-H523 VanDerWaalsContact O-N 3.1Å
520K93.7Very high95Very high72 Ų7237 Ų3731%0.31319%0.193SC..Hα-helixtrans-66.4-40.9172.2-64.8173.1-172.6179.70111.6L285 L326 S516 L517 V518 H523 Q524L285-K520 HydrophobicContact CD1-CG 4.31Å; L326-K520 HydrophobicContact CD1-CB 4.04Å; L326-K520 HydrophobicContact CD2-CB 4.03Å; L326-K520 HydrophobicContact CD2-CD 4.23Å; S516-K520 WeakPolarHBondContact O-CG 3.41Å; S516-K520 PolarHBondContact O-N 3.1Å; L517-K520 WeakPolarHBondContact O-CB 3.43Å; L517-K520 PolarHBondContact O-N 3.1Å; V518-K520 VanDerWaalsContact C-N 3.29Å; V518-K520 PolarHBondContact O-N 3.05Å; K520-H523 PolarHBondContact O-N 3.44Å; K520-Q524 PolarHBondContact O-N 3.23Å; K520-Q524 VanDerWaalsContact O-N 3.07Å
521L95.4Very high94.9Very high1 Ų137.3 Ų37.31%0.00519%0.194CC..Hα-helixtrans-68.1-40.8175.2-70.5176.6000113.1V318 L322 L326 F488 L517 V518 H523 Q524 A525V318-L521 HydrophobicContact CG1-CD1 4.33Å; V318-L521 HydrophobicContact CG1-CD2 4.2Å; L322-L521 HydrophobicContact CD2-CD1 4.15Å; L322-L521 HydrophobicContact CD2-CD2 3.98Å; L322-L521 HydrophobicContact CD2-CG 4.34Å; L322-L521 HydrophobicContact CG-CD1 4.47Å; L322-L521 HydrophobicContact CG-CD2 4.01Å; L326-L521 HydrophobicContact CD1-CD2 3.86Å; L326-L521 HydrophobicContact CD1-CG 4.24Å; F488-L521 HydrophobicContact CE2-CB 3.92Å; F488-L521 HydrophobicContact CE2-CD1 4Å; F488-L521 HydrophobicContact CZ-CB 4.44Å; F488-L521 HydrophobicContact CZ-CD1 3.7Å; L517-L521 PolarHBondContact O-N 3.37Å; L517-L521 VanDerWaalsContact O-N 3.12Å; V518-L521 CarbonylContact O-C 3.48Å; V518-L521 PolarHBondContact O-N 3.36Å; L521-H523 VanDerWaalsContact C-N 3.28Å; L521-H523 PolarHBondContact O-N 2.68Å; L521-Q524 WeakPolarHBondContact O-CB 3.31Å; L521-Q524 PolarHBondContact O-N 3.17Å; L521-Q524 VanDerWaalsContact O-N 3.13Å; L521-A525 WeakPolarHBondContact O-CB 3.43Å; L521-A525 PolarHBondContact O-N 3.12Å
522E95.1Very high94.7Very high39 Ų3941.9 Ų41.918%0.18222%0.218CC..Hα-helixtrans-58.1-43.5175179.2-177.5-109.300110.5S236 V237 V518 A525 C526S236-E522 WeakPolarHBondContact CA-OE1 3.47Å; V237-E522 HydrophobicContact CG2-CB 4.24Å; V237-E522 PolarHBondContact N-OE1 2.99Å; V237-E522 PolarHBondContact N-OE2 3.43Å; V518-E522 WeakPolarHBondContact O-CB 3.47Å; V518-E522 PolarHBondContact O-N 3.12Å; E522-A525 PolarHBondContact O-N 3.24Å; E522-C526 PolarHBondContact O-N 2.98Å
523H91.7Very high94.8Very high93 Ų9342 Ų4243%0.43122%0.218SC..Hα-helixtrans-62.6-43.3173.9-177.7-93.8000112.4M1 A519 K520 L521 C526M1-H523 VanDerWaalsContact CG-CD2 3.48Å; M1-H523 WeakPolarHBondContact CG-CD2 3.42Å; A519-H523 PolarHBondContact O-N 2.97Å; A519-H523 VanDerWaalsContact O-N 3.1Å; K520-H523 PolarHBondContact O-N 3.44Å; L521-H523 VanDerWaalsContact C-N 3.28Å; L521-H523 PolarHBondContact O-N 2.68Å; H523-C526 PolarHBondContact O-N 3.5Å; H523-C526 PolarHBondContact O-SG 2.93Å
524Q93.3Very high94.7Very high68 Ų6842 Ų4232%0.31822%0.217SC..Hα-helixtrans-65.4-38.6178.1-179.758.535.100112.4W321 H325 K520 L521 C526W321-Q524 HydrophobicContact CB-CG 4.19Å; W321-Q524 HydrophobicContact CD2-CG 3.64Å; W321-Q524 HydrophobicContact CE3-CB 4.31Å; W321-Q524 HydrophobicContact CE3-CG 3.63Å; W321-Q524 HydrophobicContact CG-CG 3.89Å; W321-Q524 HydrophobicContact CZ3-CG 4.26Å; H325-Q524 PolarHBondContact CE1-NE2 3.21Å; H325-Q524 PolarHBondContact ND1-NE2 3.02Å; H325-Q524 PolarHBondContact ND1-OE1 2.97Å; K520-Q524 PolarHBondContact O-N 3.23Å; K520-Q524 VanDerWaalsContact O-N 3.07Å; L521-Q524 WeakPolarHBondContact O-CB 3.31Å; L521-Q524 PolarHBondContact O-N 3.17Å; L521-Q524 VanDerWaalsContact O-N 3.13Å; Q524-C526 VanDerWaalsContact C-N 3.27Å; Q524-C526 PolarHBondContact O-N 3.24Å
525A95.2Very high94.6Very high16 Ų1645.2 Ų45.213%0.13224%0.24CC..Hα-helixtrans-65.5-30.3-179.300000112.6W321 V490 L521 E522 F527W321-A525 HydrophobicContact CH2-CB 4.38Å; W321-A525 HydrophobicContact CZ3-CB 3.95Å; V490-A525 HydrophobicContact CB-CB 4.49Å; L521-A525 WeakPolarHBondContact O-CB 3.43Å; L521-A525 PolarHBondContact O-N 3.12Å; E522-A525 PolarHBondContact O-N 3.24Å; A525-F527 PolarHBondContact O-N 3.39Å
526C92.5Very high94.6Very high86 Ų8645.8 Ų45.858%0.58124%0.242SC*.THydrogen-bonded Turntrans47.635.6-175.1-72.80000112.5E522 H523 Q524 Q528E522-C526 PolarHBondContact O-N 2.98Å; H523-C526 PolarHBondContact O-N 3.5Å; H523-C526 PolarHBondContact O-SG 2.93Å; Q524-C526 VanDerWaalsContact C-N 3.27Å; Q524-C526 PolarHBondContact O-N 3.24Å; C526-Q528 PolarHBondContact O-N 3.18Å; C526-Q528 PolarHBondContact O-NE2 3.37Å
527F95.5Very high94.6Very high30 Ų3045.6 Ų45.613%0.13224%0.241CC..  trans-57.2133.9-175.2176.6-102.7000110.6W156 G204 P489 G491 L492 P499 A525 P529W156-F527 HydrophobicContact CH2-CZ 4.01Å; W156-F527 HydrophobicContact CZ2-CE1 4.33Å; W156-F527 AromaticContact CZ2-CZ 3.76Å; W156-F527 HydrophobicContact CZ2-CZ 3.76Å; G204-F527 WeakPolarHBondContact O-CE1 3.42Å; P489-F527 HydrophobicContact CB-CB 4.46Å; P489-F527 HydrophobicContact CB-CD1 3.64Å; P489-F527 HydrophobicContact CB-CD2 3.81Å; P489-F527 HydrophobicContact CB-CE1 3.69Å; P489-F527 HydrophobicContact CB-CE2 3.85Å; P489-F527 HydrophobicContact CB-CG 3.7Å; P489-F527 HydrophobicContact CB-CZ 3.8Å; P489-F527 HydrophobicContact CG-CB 4.46Å; P489-F527 HydrophobicContact CG-CD1 3.51Å; P489-F527 HydrophobicContact CG-CE1 3.78Å; P489-F527 HydrophobicContact CG-CG 3.92Å; P489-F527 HydrophobicContact CG-CZ 4.4Å; G491-F527 WeakPolarHBondContact O-CE2 3.38Å; L492-F527 HydrophobicContact CD2-CE2 3.65Å; L492-F527 HydrophobicContact CD2-CZ 4.18Å; L492-F527 HydrophobicContact CG-CE2 4.16Å; P499-F527 HydrophobicContact CB-CE2 4.28Å; P499-F527 HydrophobicContact CB-CZ 4.11Å; P499-F527 HydrophobicContact CG-CZ 4.18Å; A525-F527 PolarHBondContact O-N 3.39Å; F527-P529 HydrophobicContact CE1-CB 4.43Å; F527-P529 VanDerWaalsContact O-CD 3.27Å; F527-P529 WeakPolarHBondContact O-CD 3.35Å
528Q92.6Very high94.7Very high135 Ų13549.8 Ų49.863%0.63126%0.264SS*.  trans-92.8105.9178.4-61.4-58-58.700108.9C526C526-Q528 PolarHBondContact O-N 3.18Å; C526-Q528 PolarHBondContact O-NE2 3.37Å
529P94.4Very high94.6Very high65 Ų6553.9 Ų53.942%0.42229%0.292SS..  trans-68157.4178.931-36000110.9F527 V531F527-P529 HydrophobicContact CE1-CB 4.43Å; F527-P529 VanDerWaalsContact O-CD 3.27Å; F527-P529 WeakPolarHBondContact O-CD 3.35Å; P529-V531 PolarHBondContact O-N 2.87Å
530L94.3Very high94.5Very high51 Ų5156.3 Ų56.327%0.26730%0.304SS..SBendtrans-61.7-35.5176.7-175.766.3000112.3F49 P155 W156F49-L530 HydrophobicContact CD1-CD2 4.41Å; F49-L530 HydrophobicContact CG-CD2 4.48Å; P155-L530 HydrophobicContact CB-CD2 3.55Å; P155-L530 HydrophobicContact CG-CD2 4.06Å; W156-L530 HydrophobicContact CD2-CB 4.35Å; W156-L530 HydrophobicContact CD2-CD1 4.31Å; W156-L530 HydrophobicContact CE3-CD1 4.34Å; W156-L530 HydrophobicContact CG-CD2 4.48Å; W156-L530 HydrophobicContact CH2-CB 4.24Å; W156-L530 HydrophobicContact CZ2-CB 3.66Å
531V95.3Very high94.6Very high17 Ų1755.6 Ų55.610%0.10330%0.303CS..SBendtrans-128.4133-178.8175.60000108.5F49 A180 P529 H533 I536F49-V531 HydrophobicContact CD1-CG2 4.32Å; F49-V531 HydrophobicContact CE1-CG2 3.64Å; F49-V531 HydrophobicContact CZ-CG2 4.39Å; A180-V531 WeakPolarHBondContact O-CG2 3.49Å; P529-V531 PolarHBondContact O-N 2.87Å; V531-H533 PolarHBondContact O-N 3.04Å; V531-H533 PolarHBondContact O-ND1 3.44Å; V531-I536 HydrophobicContact CG1-CD1 3.56Å; V531-I536 HydrophobicContact CG1-CG1 4.41Å
532D95Very high94.5Very high95 Ų9558.4 Ų58.451%0.50832%0.319SS..  trans-84.998.1170.7-179-1.7000110K534 S535 I536D532-K534 PolarHBondContact O-N 2.9Å; D532-K534 WeakPolarHBondContact OD1-CA 3.33Å; D532-K534 VanDerWaalsContact OD1-CB 3.29Å; D532-K534 WeakPolarHBondContact OD1-CB 3.47Å; D532-K534 PolarHBondContact OD1-N 3.24Å; D532-S535 PolarHBondContact O-N 3.37Å; D532-S535 PolarHBondContact OD1-N 3.31Å; D532-I536 PolarHBondContact O-N 3.42Å
533H96.4Very high94.5Very high7 Ų759.5 Ų59.53%0.03233%0.327CS..Hα-helixtrans-61.4-28.6177.7-63.173.7000113C5 V179 L185 V531 I536 I537C5-H533 HydrophobicContact CB-CB 4.2Å; V179-H533 PolarHBondContact O-CE1 2.99Å; V179-H533 VanDerWaalsContact O-CE1 3.27Å; V179-H533 PolarHBondContact O-NE2 3.38Å; L185-H533 HydrophobicContact CD2-CB 4.09Å; V531-H533 PolarHBondContact O-N 3.04Å; V531-H533 PolarHBondContact O-ND1 3.44Å; H533-I536 WeakPolarHBondContact O-CB 3.37Å; H533-I536 PolarHBondContact O-N 2.96Å; H533-I537 WeakPolarHBondContact O-CG1 3.43Å; H533-I537 PolarHBondContact O-N 3.11Å; H533-I537 VanDerWaalsContact O-N 3.1Å
534K93.9Very high94.6Very high93 Ų9357.5 Ų57.540%0.40432%0.321SS..Hα-helixtrans-70.3-41.1177.4-171.4-177.3174.3-171.30110.6D532 I536 I537 D538D532-K534 PolarHBondContact O-N 2.9Å; D532-K534 WeakPolarHBondContact OD1-CA 3.33Å; D532-K534 VanDerWaalsContact OD1-CB 3.29Å; D532-K534 WeakPolarHBondContact OD1-CB 3.47Å; D532-K534 PolarHBondContact OD1-N 3.24Å; K534-I536 VanDerWaalsContact C-N 3.26Å; K534-I536 PolarHBondContact O-N 3.22Å; K534-I537 PolarHBondContact O-N 3.44Å; K534-I537 VanDerWaalsContact O-N 3.08Å; K534-D538 WeakPolarHBondContact O-CB 3.38Å; K534-D538 PolarHBondContact O-N 3.16Å
535S95Very high94.7Very high67 Ų6756.9 Ų56.947%0.46932%0.321SS..Hα-helixtrans-60.7-34.6172.7177.40000112.5D532 S539D532-S535 PolarHBondContact O-N 3.37Å; D532-S535 PolarHBondContact OD1-N 3.31Å; S535-S539 WeakPolarHBondContact O-CB 3.47Å; S535-S539 PolarHBondContact O-N 3.39Å; S535-S539 VanDerWaalsContact O-N 3.17Å
536I96.6Very high94.7Very high11 Ų1159.6 Ų59.66%0.05633%0.333CS..Hα-helixtrans-62.7-47.6172.1-64171.4000110.1V26 F27 R30 V531 D532 H533 K534 S539V26-I536 HydrophobicContact CG1-CG2 3.99Å; F27-I536 HydrophobicContact CE1-CG2 4.42Å; F27-I536 HydrophobicContact CE2-CG2 4.25Å; F27-I536 HydrophobicContact CZ-CG2 3.93Å; R30-I536 VanDerWaalsContact CZ-CD1 3.48Å; V531-I536 HydrophobicContact CG1-CD1 3.56Å; V531-I536 HydrophobicContact CG1-CG1 4.41Å; D532-I536 PolarHBondContact O-N 3.42Å; H533-I536 WeakPolarHBondContact O-CB 3.37Å; H533-I536 PolarHBondContact O-N 2.96Å; K534-I536 VanDerWaalsContact C-N 3.26Å; K534-I536 PolarHBondContact O-N 3.22Å; I536-S539 PolarHBondContact O-N 2.84Å; I536-S539 PolarHBondContact O-OG 2.76Å
537I95.7Very high94.9Very high0 Ų057.7 Ų57.70%032%0.316CS..Hα-helixtrans-63.5-43179.7-65.4159.2000111.4C5 L9 I18 L185 H533 K534 S539 I540C5-I537 HydrophobicContact CB-CD1 3.82Å; C5-I537 WeakPolarHBondContact O-CD1 3.42Å; L9-I537 HydrophobicContact CB-CD1 4.03Å; L9-I537 HydrophobicContact CB-CG1 4.3Å; L9-I537 HydrophobicContact CB-CG2 4.12Å; L9-I537 HydrophobicContact CD1-CG2 4.02Å; I18-I537 HydrophobicContact CD1-CG2 3.85Å; L185-I537 HydrophobicContact CD1-CD1 4.02Å; L185-I537 HydrophobicContact CD1-CG1 4.43Å; L185-I537 HydrophobicContact CD2-CD1 4.21Å; H533-I537 WeakPolarHBondContact O-CG1 3.43Å; H533-I537 PolarHBondContact O-N 3.11Å; H533-I537 VanDerWaalsContact O-N 3.1Å; K534-I537 PolarHBondContact O-N 3.44Å; K534-I537 VanDerWaalsContact O-N 3.08Å; I537-S539 PolarHBondContact O-N 2.97Å; I537-I540 WeakPolarHBondContact O-CB 3.47Å; I537-I540 PolarHBondContact O-N 2.9Å
538D94.8Very high94.8Very high95 Ų9559.8 Ų59.851%0.50833%0.33SS..Hα-helixtrans-68.7-14.3179.7-69.9-21.6000112.9H8 K534H8-D538 IonicContact CD2-OD1 3.83Å; H8-D538 IonicContact CE1-OD1 3.67Å; H8-D538 PolarHBondContact CE1-OD1 3.22Å; H8-D538 IonicContact NE2-OD1 3.68Å; H8-D538 PolarHBondContact NE2-OD1 2.78Å; K534-D538 WeakPolarHBondContact O-CB 3.38Å; K534-D538 PolarHBondContact O-N 3.16Å
539S94.7Very high95Very high86 Ų8653.6 Ų53.660%0.60131%0.305SS*.THydrogen-bonded Turntrans-87.3-9.4174.976.60000114.5S535 I536 I537S535-S539 WeakPolarHBondContact O-CB 3.47Å; S535-S539 PolarHBondContact O-N 3.39Å; S535-S539 VanDerWaalsContact O-N 3.17Å; I536-S539 PolarHBondContact O-N 2.84Å; I536-S539 PolarHBondContact O-OG 2.76Å; I537-S539 PolarHBondContact O-N 2.97Å
540I93.8Very high95Very high56 Ų5652.5 Ų52.529%0.28729%0.294SS..  trans-86.30174.1-52.3166.4000107.9I18 D22 V23 V26 F27 I537I18-I540 HydrophobicContact CD1-CB 4.2Å; I18-I540 HydrophobicContact CG1-CB 4.41Å; I18-I540 HydrophobicContact CG1-CG2 4.39Å; I18-I540 HydrophobicContact CG2-CB 4.35Å; I18-I540 HydrophobicContact CG2-CG2 3.63Å; D22-I540 HydrophobicContact CB-CG2 3.56Å; V23-I540 HydrophobicContact CG2-CD1 4.23Å; V26-I540 HydrophobicContact CB-CD1 4.43Å; V26-I540 HydrophobicContact CB-CG1 4.15Å; V26-I540 HydrophobicContact CG1-CG1 4.23Å; V26-I540 HydrophobicContact CG2-CG1 3.92Å; F27-I540 HydrophobicContact CE2-CD1 4.43Å; I537-I540 WeakPolarHBondContact O-CB 3.47Å; I537-I540 PolarHBondContact O-N 2.9Å

Retrieved 540 of 540 residues in 245.6 ms (Link to these results)

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