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DNA topoisomerase

Introduces a single-strand break via transesterification at a target site in duplex DNA. Releases the supercoiling and torsional tension of DNA introduced during the DNA replication and transcription by transiently cleaving and rejoining one strand of the DNA duplex. The scissile phosphodiester is attacked by the catalytic tyrosine of the enzyme, resulting in the formation of a DNA-(5'-phosphotyrosyl)-enzyme intermediate and the expulsion of a 3'-OH DNA strand. Releases the supercoiling and torsional tension of DNA introduced during the DNA replication and transcription by transiently cleaving and rejoining one strand of the DNA duplex. Introduces a single-strand break via transesterification at a target site in duplex DNA. The scissile phosphodiester is attacked by the catalytic tyrosine of the enzyme, resulting in the formation of a DNA-(5'-phosphotyrosyl)-enzyme intermediate and the expulsion of a 3'-OH DNA strand. The free DNA strand than undergoes passage around the unbroken strand thus removing DNA supercoils. Finally, in the religation step, the DNA 3'-OH attacks the covalent intermediate to expel the active-site tyrosine and restore the DNA phosphodiester backbone. Possesses negatively supercoiled DNA relaxing activity.

AlphaFold DB , UniProt , Accession A0A096NSA7, Species PAPAN (Papio anubis, Olive baboon), Gene TOP3B, Length 862 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
1M87.3Confident96.5Very high160 Ų16031.5 Ų31.579%0.78816%0.159SC*.  0129.80-175.4178.9-7200106.8T42 P49M1-T42 HydrophobicContact SD-CG2 4.34Å; M1-P49 WeakPolarHBondContact CG-O 3.33Å
2K94.8Very high96.3Very high57 Ų5733.3 Ų33.325%0.24818%0.176CC..EExtended strand (participates in β ladder)trans-69.9151.6-178.9-69.1-179.6175.81800110.5V50 R51 D110 Y111 E144K2-V50 HydrophobicContact CB-CG1 4.14Å; K2-V50 WeakPolarHBondContact O-CA 3.37Å; K2-V50 WeakPolarHBondContact O-CB 3.35Å; K2-R51 PolarHBondContact O-N 3.14Å; K2-D110 WeakPolarHBondContact CA-OD2 3.37Å; K2-D110 HydrophobicContact CB-CB 4.15Å; K2-D110 WeakPolarHBondContact CB-OD2 3.45Å; K2-D110 HydrophobicContact CD-CB 4.49Å; K2-D110 HydrophobicContact CG-CB 4.29Å; K2-Y111 HydrophobicContact CD-CE2 3.81Å; K2-Y111 PolarHBondContact NZ-OH 3.25Å; K2-E144 IonicContact NZ-OE2 3.49Å
3T97.8Very high96.2Very high27 Ų2730.7 Ų30.717%0.16616%0.162CC..EExtended strand (participates in β ladder)trans-114.5131.5177.3-53.20000110.8R51 K53 D110 Y111T3-R51 CarbonylContact C-O 3.48Å; T3-R51 WeakPolarHBondContact CA-O 3.42Å; T3-K53 HydrophobicContact CG2-CB 4.28Å; T3-D110 PolarHBondContact N-OD2 2.81Å; T3-D110 PolarHBondContact O-N 3.08Å; T3-Y111 PolarHBondContact O-N 3.46Å
4V98.3Very high96.3Very high0 Ų028.5 Ų28.50%015%0.151CC..EExtended strand (participates in β ladder)trans-110.9111.7179.1-1740000109.3M6 F45 V50 R51 F52 K53 Y111 V113V4-M6 HydrophobicContact CG1-CG 4.23Å; V4-F45 HydrophobicContact CG2-CB 4.34Å; V4-F45 HydrophobicContact CG2-CD1 4.39Å; V4-F45 HydrophobicContact CG2-CG 4.24Å; V4-V50 HydrophobicContact CG2-CB 3.98Å; V4-V50 HydrophobicContact CG2-CG1 4.22Å; V4-V50 HydrophobicContact CG2-CG2 3.85Å; V4-R51 PolarHBondContact N-O 3.37Å; V4-F52 HydrophobicContact CB-CD1 3.75Å; V4-F52 HydrophobicContact CB-CE1 3.91Å; V4-F52 HydrophobicContact CG1-CD1 4.05Å; V4-F52 HydrophobicContact CG1-CE1 3.97Å; V4-F52 HydrophobicContact CG2-CD1 4.36Å; V4-F52 HydrophobicContact CG2-CE1 4.16Å; V4-K53 PolarHBondContact O-N 3.38Å; V4-Y111 HydrophobicContact CG2-CD2 3.83Å; V4-V113 HydrophobicContact CG1-CG2 3.7Å
5L98.6Very high96.2Very high1 Ų134 Ų341%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-75.7134.7170.8-173.171000109.1V7 K53 T55 E105 C109 Y111 I112 V113 V133L5-V7 HydrophobicContact CD2-CG2 3.88Å; L5-V7 HydrophobicContact CG-CG2 3.93Å; L5-K53 CarbonylContact C-O 3.28Å; L5-K53 WeakPolarHBondContact CA-O 3.42Å; L5-K53 HydrophobicContact CD1-CD 4.37Å; L5-K53 HydrophobicContact CD1-CG 4.36Å; L5-T55 HydrophobicContact CD1-CG2 4.29Å; L5-E105 HydrophobicContact CD1-CB 4.48Å; L5-C109 HydrophobicContact CB-CB 4.08Å; L5-Y111 PolarHBondContact N-O 3.01Å; L5-I112 HydrophobicContact CD2-CD1 4.26Å; L5-I112 HydrophobicContact CD2-CG1 4.43Å; L5-I112 CarbonylContact O-C 3.53Å; L5-I112 VanDerWaalsContact O-CA 3.28Å; L5-I112 WeakPolarHBondContact O-CA 3.04Å; L5-V113 PolarHBondContact O-N 2.78Å; L5-V133 HydrophobicContact CD2-CG1 3.76Å; L5-V133 HydrophobicContact CD2-CG2 4.05Å
6M98.8Very high96.1Very high0 Ų034.2 Ų34.20%018%0.18CC..EExtended strand (participates in β ladder)trans-125.9132.9172.1-57.1-170.1-73.200109.1V4 L21 Y41 F52 K53 M54 T55 V113V4-M6 HydrophobicContact CG1-CG 4.23Å; M6-L21 HydrophobicContact SD-CD1 4.44Å; M6-Y41 HydrophobicContact CE-CE1 3.93Å; M6-Y41 WeakPolarHBondContact CE-OH 3.39Å; M6-F52 HydrophobicContact CE-CB 3.78Å; M6-F52 HydrophobicContact CE-CD1 3.55Å; M6-F52 HydrophobicContact CE-CE1 4.43Å; M6-F52 HydrophobicContact CE-CG 3.9Å; M6-F52 HydrophobicContact CG-CD1 4.35Å; M6-F52 HydrophobicContact SD-CD1 3.75Å; M6-F52 HydrophobicContact SD-CE1 4.14Å; M6-K53 PolarHBondContact N-O 2.84Å; M6-M54 HydrophobicContact CB-CB 4.23Å; M6-M54 HydrophobicContact CB-CE 3.45Å; M6-M54 VanDerWaalsContact CB-CE 3.45Å; M6-M54 HydrophobicContact CB-CG 4.49Å; M6-M54 HydrophobicContact CB-SD 3.49Å; M6-M54 WeakPolarHBondContact CB-SD 3.43Å; M6-M54 HydrophobicContact CE-CB 3.9Å; M6-M54 HydrophobicContact CE-CE 3.81Å; M6-M54 HydrophobicContact CG-CE 4.3Å; M6-M54 CarbonylContact O-C 3.58Å; M6-M54 WeakPolarHBondContact O-CA 3.34Å; M6-M54 HydrophobicContact SD-CE 3.93Å; M6-T55 PolarHBondContact O-N 2.81Å; M6-V113 VanDerWaalsContact CA-O 3.27Å; M6-V113 WeakPolarHBondContact CA-O 3.28Å; M6-V113 HydrophobicContact CG-CB 4.03Å; M6-V113 HydrophobicContact CG-CG2 4.39Å
7V98.8Very high96.2Very high0 Ų032.2 Ų32.20%017%0.17CC..EExtended strand (participates in β ladder)trans-128.2117.3-174.7-1730000110.1L5 T55 V57 L102 V113 W115 L116 V129L5-V7 HydrophobicContact CD2-CG2 3.88Å; L5-V7 HydrophobicContact CG-CG2 3.93Å; V7-T55 WeakPolarHBondContact CA-O 3.21Å; V7-T55 HydrophobicContact CG2-CG2 4.35Å; V7-V57 HydrophobicContact CG1-CG1 4.09Å; V7-L102 HydrophobicContact CG1-CD2 4.22Å; V7-L102 HydrophobicContact CG2-CD2 4.45Å; V7-V113 PolarHBondContact N-O 2.83Å; V7-V113 VanDerWaalsContact N-O 3.14Å; V7-W115 CarbonylContact O-C 3.59Å; V7-W115 WeakPolarHBondContact O-CA 3.4Å; V7-W115 PolarHBondContact O-N 2.9Å; V7-L116 WeakPolarHBondContact O-CD1 3.22Å; V7-V129 HydrophobicContact CB-CG1 4.09Å; V7-V129 HydrophobicContact CG1-CG1 4.05Å; V7-V129 HydrophobicContact CG1-CG2 4.05Å; V7-V129 HydrophobicContact CG2-CG1 3.95Å
8A98.4Very high96.2Very high0 Ų030.4 Ų30.40%016%0.16CC..EExtended strand (participates in β ladder)trans-97.5168.3171.900000112.3L13 A14 I17 M54 T55 S56 V57 W115A8-L13 HydrophobicContact CB-CB 4.1Å; A8-A14 HydrophobicContact CB-CB 3.95Å; A8-I17 HydrophobicContact CB-CD1 4.38Å; A8-M54 HydrophobicContact CB-SD 4.47Å; A8-T55 PolarHBondContact N-O 3.27Å; A8-S56 CarbonylContact O-C 3.47Å; A8-S56 WeakPolarHBondContact O-CA 3.49Å; A8-S56 VanDerWaalsContact O-CB 3.3Å; A8-S56 WeakPolarHBondContact O-CB 3.28Å; A8-V57 PolarHBondContact O-N 2.87Å; A8-W115 WeakPolarHBondContact CA-O 3.38Å; A8-W115 HydrophobicContact CB-CB 4.18Å
9E97.2Very high96.2Very high18 Ų1836.1 Ų36.18%0.08418%0.184CC..SBendtrans-74.3-31.8-175.4-169178.5122.100113.9L13 V57 C58 G59 L116 D117 I125E9-L13 HydrophobicContact CB-CD1 4.27Å; E9-V57 CarbonylContact O-C 3.52Å; E9-V57 WeakPolarHBondContact O-CG2 3.21Å; E9-C58 PolarHBondContact O-N 2.95Å; E9-G59 PolarHBondContact O-N 2.95Å; E9-L116 HydrophobicContact CB-CB 4.37Å; E9-L116 HydrophobicContact CB-CG 4.48Å; E9-D117 WeakPolarHBondContact OE2-CB 3.41Å; E9-D117 PolarHBondContact OE2-N 3.05Å; E9-I125 HydrophobicContact CG-CD1 4.22Å
10K95.6Very high96.2Very high43 Ų4335.4 Ų35.419%0.18718%0.18CC..SBendtrans-136.9151.6-174.9-63.6170.6-1711570111.2S12 L13 A14 S56 E326K10-S12 VanDerWaalsContact C-N 3.31Å; K10-S12 PolarHBondContact O-N 3.13Å; K10-L13 HydrophobicContact CB-CD1 4.15Å; K10-L13 HydrophobicContact CB-CG 4.28Å; K10-L13 WeakPolarHBondContact O-CB 3.43Å; K10-L13 PolarHBondContact O-N 3.32Å; K10-A14 PolarHBondContact O-N 3.46Å; K10-A14 VanDerWaalsContact O-N 3.14Å; K10-S56 VanDerWaalsContact C-CB 3.41Å; K10-S56 WeakPolarHBondContact O-CB 3.44Å; K10-E326 IonicContact NZ-OE2 2.99Å; K10-E326 PolarHBondContact NZ-OE2 3.08Å
11P96.3Very high96.2Very high41 Ų4135.3 Ų35.327%0.26618%0.18SC..Hα-helixtrans-58.4-38.8-176.9-27.435.5000114.4A14 Q15 S56 V57P11-A14 PolarHBondContact O-N 2.91Å; P11-Q15 PolarHBondContact O-N 3.03Å; P11-Q15 VanDerWaalsContact O-N 3.11Å; P11-S56 WeakPolarHBondContact CA-OG 3.41Å; P11-S56 WeakPolarHBondContact CD-OG 3.46Å; P11-S56 WeakPolarHBondContact CG-OG 3.32Å; P11-S56 VanDerWaalsContact N-OG 3.08Å; P11-V57 WeakPolarHBondContact CD-O 3.42Å
12S93.8Very high96.6Very high52 Ų5228 Ų2836%0.36414%0.144SC..Hα-helixtrans-66.3-34.8177.143.40000113K10 S16 T330K10-S12 VanDerWaalsContact C-N 3.31Å; K10-S12 PolarHBondContact O-N 3.13Å; S12-S16 PolarHBondContact O-N 2.96Å; S12-S16 VanDerWaalsContact O-N 3.12Å; S12-S16 PolarHBondContact O-OG 2.75Å; S12-S16 VanDerWaalsContact O-OG 3.12Å; S12-T330 WeakPolarHBondContact OG-CG2 3.22Å
13L95.1Very high96.5Very high0 Ų036.4 Ų36.40%018%0.175CC..Hα-helixtrans-67.6-48175.5-68174.3000110.7A8 E9 K10 Q15 S16 I17 D117 I155 Y329 T330A8-L13 HydrophobicContact CB-CB 4.1Å; E9-L13 HydrophobicContact CB-CD1 4.27Å; K10-L13 HydrophobicContact CB-CD1 4.15Å; K10-L13 HydrophobicContact CB-CG 4.28Å; K10-L13 WeakPolarHBondContact O-CB 3.43Å; K10-L13 PolarHBondContact O-N 3.32Å; L13-Q15 VanDerWaalsContact C-N 3.28Å; L13-Q15 PolarHBondContact O-N 3.12Å; L13-S16 PolarHBondContact O-N 2.66Å; L13-I17 WeakPolarHBondContact O-CB 3.1Å; L13-I17 VanDerWaalsContact O-CG1 3.26Å; L13-I17 WeakPolarHBondContact O-CG1 3.48Å; L13-I17 PolarHBondContact O-N 3.09Å; L13-D117 WeakPolarHBondContact CD1-OD1 3.38Å; L13-I155 HydrophobicContact CD2-CD1 3.75Å; L13-I155 HydrophobicContact CD2-CG1 3.83Å; L13-Y329 HydrophobicContact CD2-CE1 4.11Å; L13-T330 HydrophobicContact CD2-CG2 3.97Å; L13-T330 HydrophobicContact CG-CG2 4.11Å
14A97.3Very high96Very high0 Ų037.7 Ų37.70%019%0.193CC..Hα-helixtrans-55.9-44.3177.100000112A8 K10 P11 A18 M54 T55A8-A14 HydrophobicContact CB-CB 3.95Å; K10-A14 PolarHBondContact O-N 3.46Å; K10-A14 VanDerWaalsContact O-N 3.14Å; P11-A14 PolarHBondContact O-N 2.91Å; A14-A18 WeakPolarHBondContact O-CB 3.3Å; A14-A18 PolarHBondContact O-N 3.25Å; A14-M54 HydrophobicContact CB-CG 3.95Å; A14-M54 HydrophobicContact CB-SD 4.29Å; A14-T55 WeakPolarHBondContact CB-O 3.35Å
15Q95.8Very high95.7Very high111 Ų11141.5 Ų41.552%0.51922%0.22SC..Hα-helixtrans-61.9-47.7177.6-174-178.527.400112P11 L13 K19P11-Q15 PolarHBondContact O-N 3.03Å; P11-Q15 VanDerWaalsContact O-N 3.11Å; L13-Q15 VanDerWaalsContact C-N 3.28Å; L13-Q15 PolarHBondContact O-N 3.12Å; Q15-K19 WeakPolarHBondContact O-CB 3.37Å; Q15-K19 PolarHBondContact O-N 2.8Å
16S94.8Very high95.5Very high37 Ų3743.7 Ų43.726%0.25923%0.231SC..Hα-helixtrans-64.7-47-178.8-66.20000112S12 L13 K19 I20S12-S16 PolarHBondContact O-N 2.96Å; S12-S16 VanDerWaalsContact O-N 3.12Å; S12-S16 PolarHBondContact O-OG 2.75Å; S12-S16 VanDerWaalsContact O-OG 3.12Å; L13-S16 PolarHBondContact O-N 2.66Å; S16-K19 PolarHBondContact O-N 3.43Å; S16-I20 WeakPolarHBondContact O-CG1 3.16Å; S16-I20 PolarHBondContact O-N 3Å; S16-I20 VanDerWaalsContact O-N 3.11Å
17I96.6Very high95.4Very high0 Ų047.2 Ų47.20%026%0.256CS..Hα-helixtrans-62.9-46178.7-64.2170.1000110.3A8 L13 K19 I20 L21 M54 W115 F152 I160A8-I17 HydrophobicContact CB-CD1 4.38Å; L13-I17 WeakPolarHBondContact O-CB 3.1Å; L13-I17 VanDerWaalsContact O-CG1 3.26Å; L13-I17 WeakPolarHBondContact O-CG1 3.48Å; L13-I17 PolarHBondContact O-N 3.09Å; I17-K19 VanDerWaalsContact C-N 3.3Å; I17-K19 PolarHBondContact O-N 2.98Å; I17-I20 PolarHBondContact O-N 3.34Å; I17-L21 HydrophobicContact CG2-CD1 3.81Å; I17-L21 HydrophobicContact CG2-CG 4.33Å; I17-L21 WeakPolarHBondContact O-CG 3.5Å; I17-L21 PolarHBondContact O-N 3.44Å; I17-M54 HydrophobicContact CB-CE 4.19Å; I17-M54 HydrophobicContact CG2-CE 3.56Å; I17-W115 HydrophobicContact CD1-CB 4.19Å; I17-W115 HydrophobicContact CD1-CD2 4.45Å; I17-W115 HydrophobicContact CD1-CE3 3.98Å; I17-W115 HydrophobicContact CG2-CD2 3.97Å; I17-W115 HydrophobicContact CG2-CE3 3.88Å; I17-W115 HydrophobicContact CG2-CH2 4.44Å; I17-W115 HydrophobicContact CG2-CZ3 4.14Å; I17-F152 HydrophobicContact CD1-CZ 4.4Å; I17-I160 HydrophobicContact CD1-CD1 4.4Å; I17-I160 HydrophobicContact CG1-CD1 4Å; I17-I160 HydrophobicContact CG2-CG2 3.92Å
18A97.1Very high95.3Very high0 Ų050.3 Ų50.30%028%0.278CS..Hα-helixtrans-64.5-36179.100000112.2A14 S22 L26 H39 Y41 M54A14-A18 WeakPolarHBondContact O-CB 3.3Å; A14-A18 PolarHBondContact O-N 3.25Å; A18-S22 WeakPolarHBondContact O-CB 3.46Å; A18-S22 PolarHBondContact O-N 2.99Å; A18-S22 PolarHBondContact O-OG 3.03Å; A18-L26 HydrophobicContact CB-CD1 3.71Å; A18-L26 HydrophobicContact CB-CD2 4.1Å; A18-H39 HydrophobicContact CB-CB 3.87Å; A18-Y41 HydrophobicContact CB-CE1 4.36Å; A18-M54 HydrophobicContact CB-CB 3.93Å; A18-M54 HydrophobicContact CB-CG 3.9Å
19K96.1Very high95.1Very high139 Ų13954.2 Ų54.260%0.60430%0.295SS*.Hα-helixtrans-63-42.3175.9-175.4179.1178.8-178.60111.9Q15 S16 I17 S22 R23 G24Q15-K19 WeakPolarHBondContact O-CB 3.37Å; Q15-K19 PolarHBondContact O-N 2.8Å; S16-K19 PolarHBondContact O-N 3.43Å; I17-K19 VanDerWaalsContact C-N 3.3Å; I17-K19 PolarHBondContact O-N 2.98Å; K19-S22 PolarHBondContact O-OG 3.21Å; K19-R23 PolarHBondContact O-N 3.1Å; K19-G24 PolarHBondContact O-N 3.29Å; K19-G24 VanDerWaalsContact O-N 3.15Å
20I95.3Very high95.1Very high21 Ų2159.6 Ų59.611%0.10832%0.319CS..Hα-helixtrans-63.3-56.5175.8-68.9166000110.2S16 I17 S22 R23 I155 D157 I160S16-I20 WeakPolarHBondContact O-CG1 3.16Å; S16-I20 PolarHBondContact O-N 3Å; S16-I20 VanDerWaalsContact O-N 3.11Å; I17-I20 PolarHBondContact O-N 3.34Å; I20-S22 VanDerWaalsContact C-N 3.33Å; I20-S22 PolarHBondContact O-N 3.23Å; I20-R23 PolarHBondContact O-N 3.32Å; I20-I155 HydrophobicContact CD1-CG2 4.32Å; I20-D157 HydrophobicContact CG2-CB 4.38Å; I20-I160 HydrophobicContact CB-CG2 4.36Å; I20-I160 HydrophobicContact CD1-CB 4.38Å; I20-I160 HydrophobicContact CD1-CG1 4.05Å; I20-I160 HydrophobicContact CG2-CB 4.1Å; I20-I160 HydrophobicContact CG2-CG2 3.92Å
21L96.4Very high95Very high34 Ų3458 Ų5818%0.17831%0.314CS..Hα-helixtrans-67.2-31.9-173.4-66.4177.6000113.4M6 I17 R23 Y41 W115 I160 M164M6-L21 HydrophobicContact SD-CD1 4.44Å; I17-L21 HydrophobicContact CG2-CD1 3.81Å; I17-L21 HydrophobicContact CG2-CG 4.33Å; I17-L21 WeakPolarHBondContact O-CG 3.5Å; I17-L21 PolarHBondContact O-N 3.44Å; L21-R23 VanDerWaalsContact C-N 3.29Å; L21-Y41 HydrophobicContact CB-CE2 4.41Å; L21-Y41 WeakPolarHBondContact CB-OH 3.27Å; L21-W115 HydrophobicContact CD1-CH2 4.19Å; L21-W115 HydrophobicContact CD1-CZ2 3.74Å; L21-I160 HydrophobicContact CD1-CG2 4.35Å; L21-I160 HydrophobicContact CD2-CG2 3.76Å; L21-I160 HydrophobicContact CG-CG2 3.84Å; L21-M164 HydrophobicContact CD2-CB 4.08Å; L21-M164 HydrophobicContact CD2-CG 4.3Å
22S96.1Very high94.9Very high6 Ų660 Ų604%0.04232%0.322CS..THydrogen-bonded Turntrans-80.7-6.9175.466.20000113.5A18 K19 I20 G24 S25A18-S22 WeakPolarHBondContact O-CB 3.46Å; A18-S22 PolarHBondContact O-N 2.99Å; A18-S22 PolarHBondContact O-OG 3.03Å; K19-S22 PolarHBondContact O-OG 3.21Å; I20-S22 VanDerWaalsContact C-N 3.33Å; I20-S22 PolarHBondContact O-N 3.23Å; S22-G24 PolarHBondContact O-N 2.98Å; S22-G24 PolarHBondContact OG-N 2.87Å; S22-S25 WeakPolarHBondContact O-CB 3.33Å; S22-S25 PolarHBondContact O-N 3.02Å; S22-S25 PolarHBondContact O-OG 2.75Å
23R93.4Very high94.9Very high235 Ų23559 Ų5989%0.88731%0.313SS*.THydrogen-bonded Turntrans50.636.7-170.9-56.4-179.9179.8173.4-0.4112.2K19 I20 L21K19-R23 PolarHBondContact O-N 3.1Å; I20-R23 PolarHBondContact O-N 3.32Å; L21-R23 VanDerWaalsContact C-N 3.29Å
24G86Confident94.7Very high53 Ų5361 Ų6155%0.54633%0.334SS..THydrogen-bonded Turntrans85.5-4.7-178.100000116.2K19 S22 L26K19-G24 PolarHBondContact O-N 3.29Å; K19-G24 VanDerWaalsContact O-N 3.15Å; S22-G24 PolarHBondContact O-N 2.98Å; S22-G24 PolarHBondContact OG-N 2.87Å; G24-L26 PolarHBondContact O-N 2.88Å
25S91.9Very high94.6Very high81 Ų8163 Ų6357%0.56635%0.351SS*.  trans-81.354.4177650000112.9S22 Y41S22-S25 WeakPolarHBondContact O-CB 3.33Å; S22-S25 PolarHBondContact O-N 3.02Å; S22-S25 PolarHBondContact O-OG 2.75Å; S25-Y41 WeakPolarHBondContact O-CB 3.47Å
26L94.1Very high94.7Very high46 Ų4657.8 Ų57.824%0.24133%0.326CS..  trans-103.3124.3-169.8-161.365.1000112.7A18 G24 H39 Y41A18-L26 HydrophobicContact CB-CD1 3.71Å; A18-L26 HydrophobicContact CB-CD2 4.1Å; G24-L26 PolarHBondContact O-N 2.88Å; L26-H39 HydrophobicContact CD1-CB 3.75Å; L26-H39 HydrophobicContact CD2-CB 4.12Å; L26-H39 HydrophobicContact CG-CB 4.09Å; L26-Y41 HydrophobicContact CD1-CD1 3.74Å; L26-Y41 HydrophobicContact CD1-CE1 4.36Å
27S96.4Very high94.8Very high74 Ų7457.1 Ų57.152%0.51732%0.322SS..EExtended strand (participates in β ladder)trans-98127.8165-175.20000109.4H39 E40S27-H39 CarbonylContact O-C 3.6Å; S27-H39 WeakPolarHBondContact O-CA 3.46Å; S27-E40 PolarHBondContact N-O 2.82Å; S27-E40 PolarHBondContact O-N 3.33Å
28S96.8Very high94.9Very high66 Ų6657.1 Ų57.146%0.46232%0.322SS..EExtended strand (participates in β ladder)trans-126136.5-176.8-57.10000111.6V38 H39S28-V38 WeakPolarHBondContact CA-O 3.46Å; S28-H39 PolarHBondContact OG-ND1 2.78Å
29H96Very high95Very high81 Ų8157.4 Ų57.438%0.37532%0.323SS..EExtended strand (participates in β ladder)trans-136.6164.8169.96988.1000111.1S37 V38H29-S37 WeakPolarHBondContact O-CA 3.42Å; H29-V38 PolarHBondContact N-O 2.85Å; H29-V38 PolarHBondContact O-N 2.93Å
30K96.3Very high95.1Very high132 Ų13252.1 Ų52.157%0.57430%0.301SS*.EExtended strand (participates in β ladder)trans-77.8140.7177.3-76.6-66.8-171.61740111.1G34K30-G34 PolarHBondContact NZ-O 3.44Å
31G94.1Very high95.2Very high9 Ų952 Ų529%0.09330%0.299CS..  trans-79.5170.2170.600000112N33 G34 C36G31-N33 PolarHBondContact O-N 2.89Å; G31-N33 VanDerWaalsContact O-N 3.11Å; G31-G34 PolarHBondContact O-N 3.02Å; G31-G34 VanDerWaalsContact O-N 3.16Å; G31-C36 PolarHBondContact N-O 3.45Å
32L93.4Very high95.2Very high83 Ų8354.9 Ų54.944%0.43532%0.318SS..THydrogen-bonded Turntrans-61.6-22.8-174.873.787.8000114.6F101 V104L32-F101 HydrophobicContact CD1-CB 4.47Å; L32-F101 HydrophobicContact CD2-CB 4.31Å; L32-F101 HydrophobicContact CD2-CD2 4.28Å; L32-F101 HydrophobicContact CG-CB 4.21Å; L32-F101 HydrophobicContact CG-CD2 4Å; L32-V104 HydrophobicContact CD2-CB 3.87Å; L32-V104 HydrophobicContact CD2-CG1 4.15Å; L32-V104 HydrophobicContact CD2-CG2 3.77Å
33N93Very high95.2Very high30 Ų3055.7 Ų55.716%0.1633%0.327CS..THydrogen-bonded Turntrans-93.1-3-177.366.28.9000113.7G31 A35 C36 L96G31-N33 PolarHBondContact O-N 2.89Å; G31-N33 VanDerWaalsContact O-N 3.11Å; N33-A35 PolarHBondContact O-N 3.23Å; N33-A35 PolarHBondContact OD1-N 3.02Å; N33-C36 PolarHBondContact OD1-N 3.38Å; N33-L96 WeakPolarHBondContact CB-O 3.25Å
34G92.7Very high95.3Very high44 Ų4449.3 Ų49.345%0.45431%0.314SS..SBendtrans72.6-31.1-179.100000115.7K30 G31K30-G34 PolarHBondContact NZ-O 3.44Å; G31-G34 PolarHBondContact O-N 3.02Å; G31-G34 VanDerWaalsContact O-N 3.16Å
35A94.9Very high95.8Very high42 Ų4247.4 Ų47.435%0.34729%0.291SS..SBendtrans-72.3-50.117800000111.8N33 L96N33-A35 PolarHBondContact O-N 3.23Å; N33-A35 PolarHBondContact OD1-N 3.02Å; A35-L96 HydrophobicContact CB-CD2 3.96Å
36C97Very high95.6Very high0 Ų047.4 Ų47.40%030%0.296CS..  trans-86.6145.6-179.2-62.50000111.2G31 N33 S56 F101G31-C36 PolarHBondContact N-O 3.45Å; N33-C36 PolarHBondContact OD1-N 3.38Å; C36-S56 PolarHBondContact SG-O 2.97Å; C36-F101 HydrophobicContact CB-CD1 4.25Å; C36-F101 HydrophobicContact CB-CE1 3.51Å; C36-F101 HydrophobicContact CB-CE2 4.32Å; C36-F101 HydrophobicContact CB-CZ 3.54Å
37S97.6Very high95.4Very high24 Ų2448.7 Ų48.717%0.16832%0.321CS..EExtended strand (participates in β ladder)trans-111157.9171.1-60.50000109.4H29 T55H29-S37 WeakPolarHBondContact O-CA 3.42Å; S37-T55 PolarHBondContact O-OG1 2.88Å
38V98.3Very high95.3Very high0 Ų049.3 Ų49.30%032%0.315CS..EExtended strand (participates in β ladder)trans-115.3131.3173.3-178.40000107.6S28 H29 E40 K53 F101 E105S28-V38 WeakPolarHBondContact CA-O 3.46Å; H29-V38 PolarHBondContact N-O 2.85Å; H29-V38 PolarHBondContact O-N 2.93Å; V38-E40 HydrophobicContact CG1-CG 4.05Å; V38-K53 HydrophobicContact CG1-CD 4.26Å; V38-K53 HydrophobicContact CG1-CG 3.61Å; V38-F101 HydrophobicContact CG2-CE2 4.25Å; V38-F101 HydrophobicContact CG2-CZ 4.2Å; V38-E105 HydrophobicContact CG2-CG 3.95Å
39H98.1Very high95.3Very high5 Ų550.2 Ų50.22%0.02332%0.32CS..EExtended strand (participates in β ladder)trans-122.3117.2-174.2-51.7-77.2000109.6A18 L26 S27 S28 M54A18-H39 HydrophobicContact CB-CB 3.87Å; L26-H39 HydrophobicContact CD1-CB 3.75Å; L26-H39 HydrophobicContact CD2-CB 4.12Å; L26-H39 HydrophobicContact CG-CB 4.09Å; S27-H39 CarbonylContact O-C 3.6Å; S27-H39 WeakPolarHBondContact O-CA 3.46Å; S28-H39 PolarHBondContact OG-ND1 2.78Å; H39-M54 HydrophobicContact CB-CB 4.28Å; H39-M54 PolarHBondContact N-O 2.77Å; H39-M54 PolarHBondContact O-N 2.92Å
40E98.1Very high95.3Very high29 Ų2946.4 Ų46.414%0.13630%0.302CS..EExtended strand (participates in β ladder)trans-120.6141.7-170.7-58.2-173.5151.100111.9S27 V38 R51 F52 K53S27-E40 PolarHBondContact N-O 2.82Å; S27-E40 PolarHBondContact O-N 3.33Å; V38-E40 HydrophobicContact CG1-CG 4.05Å; E40-R51 VanDerWaalsContact CD-NH2 3.3Å; E40-R51 IonicContact OE1-CZ 3.18Å; E40-R51 IonicContact OE1-NE 3.77Å; E40-R51 IonicContact OE1-NH2 2.74Å; E40-R51 PolarHBondContact OE1-NH2 3Å; E40-R51 IonicContact OE2-CZ 2.76Å; E40-R51 IonicContact OE2-NE 2.76Å; E40-R51 PolarHBondContact OE2-NE 3.36Å; E40-R51 IonicContact OE2-NH2 3.67Å; E40-R51 PolarHBondContact OE2-NH2 2.89Å; E40-F52 VanDerWaalsContact CA-O 3.28Å; E40-F52 WeakPolarHBondContact CA-O 2.95Å; E40-K53 HydrophobicContact CG-CG 4.23Å
41Y98Very high95.4Very high17 Ų1745.4 Ų45.47%0.06730%0.295CS..EExtended strand (participates in β ladder)trans-160.1164.8176.459.3-82.8000110.5M6 A18 L21 S25 L26 F52M6-Y41 HydrophobicContact CE-CE1 3.93Å; M6-Y41 WeakPolarHBondContact CE-OH 3.39Å; A18-Y41 HydrophobicContact CB-CE1 4.36Å; L21-Y41 HydrophobicContact CB-CE2 4.41Å; L21-Y41 WeakPolarHBondContact CB-OH 3.27Å; S25-Y41 WeakPolarHBondContact O-CB 3.47Å; L26-Y41 HydrophobicContact CD1-CD1 3.74Å; L26-Y41 HydrophobicContact CD1-CE1 4.36Å; Y41-F52 HydrophobicContact CD1-CB 3.95Å; Y41-F52 HydrophobicContact CD2-CB 3.95Å; Y41-F52 AromaticContact CD2-CD2 3.82Å; Y41-F52 HydrophobicContact CD2-CD2 3.82Å; Y41-F52 HydrophobicContact CD2-CG 4.28Å; Y41-F52 HydrophobicContact CE1-CB 3.63Å; Y41-F52 HydrophobicContact CE1-CG 4.39Å; Y41-F52 HydrophobicContact CE2-CB 3.64Å; Y41-F52 AromaticContact CE2-CD2 3.29Å; Y41-F52 HydrophobicContact CE2-CD2 3.29Å; Y41-F52 HydrophobicContact CE2-CE2 4.14Å; Y41-F52 AromaticContact CE2-CG 3.66Å; Y41-F52 HydrophobicContact CE2-CG 3.66Å; Y41-F52 HydrophobicContact CG-CB 4.1Å; Y41-F52 VanDerWaalsContact CZ-CB 3.47Å; Y41-F52 AromaticContact CZ-CD2 3.86Å; Y41-F52 AromaticContact CZ-CG 3.72Å; Y41-F52 PolarHBondContact N-O 2.81Å; Y41-F52 VanDerWaalsContact N-O 3.15Å; Y41-F52 PolarHBondContact O-N 2.84Å
42T97.4Very high95.6Very high96 Ų9645.3 Ų45.359%0.58929%0.292SS*.EExtended strand (participates in β ladder)trans-99.5142.5175.7-55.80000109.5M1M1-T42 HydrophobicContact SD-CG2 4.34Å
43G95.4Very high95.9Very high22 Ų2242.7 Ų42.723%0.22728%0.276CS..EExtended strand (participates in β ladder)trans-161.7-16317700000112.6P49 V50G43-P49 WeakPolarHBondContact O-CA 3.5Å; G43-V50 PolarHBondContact N-O 3.09Å; G43-V50 PolarHBondContact O-N 2.89Å
44T95.8Very high96.1Very high101 Ų10141.2 Ų41.262%0.6227%0.269SS*.EExtended strand (participates in β ladder)trans-114.1134.1178.4-56.50000110Q48T44-Q48 CarbonylContact C-O 3.57Å; T44-Q48 WeakPolarHBondContact CA-O 3.22Å
45F95.7Very high96.4Very high13 Ų1339.1 Ų39.16%0.05725%0.247CC..EExtended strand (participates in β ladder)trans-137.5129.4173.3-171.3-95.5000109.2V4 G47 Q48 V50 F52 Y111 V113 F148 M164 L167V4-F45 HydrophobicContact CG2-CB 4.34Å; V4-F45 HydrophobicContact CG2-CD1 4.39Å; V4-F45 HydrophobicContact CG2-CG 4.24Å; F45-G47 PolarHBondContact O-N 2.65Å; F45-G47 VanDerWaalsContact O-N 3.16Å; F45-Q48 PolarHBondContact N-O 2.79Å; F45-Q48 PolarHBondContact O-N 3.01Å; F45-V50 HydrophobicContact CB-CB 4.38Å; F45-V50 HydrophobicContact CB-CG1 3.92Å; F45-V50 HydrophobicContact CB-CG2 3.54Å; F45-F52 HydrophobicContact CB-CE1 4.4Å; F45-F52 HydrophobicContact CB-CZ 3.96Å; F45-F52 HydrophobicContact CD2-CE1 4.08Å; F45-F52 HydrophobicContact CD2-CZ 4.13Å; F45-Y111 AromaticContact CD1-CD2 3.66Å; F45-Y111 HydrophobicContact CD1-CD2 3.66Å; F45-Y111 AromaticContact CD1-CE2 3.88Å; F45-Y111 HydrophobicContact CD1-CE2 3.88Å; F45-Y111 HydrophobicContact CD1-CG 4.5Å; F45-Y111 AromaticContact CE1-CD2 3.76Å; F45-Y111 HydrophobicContact CE1-CD2 3.76Å; F45-Y111 HydrophobicContact CE1-CE2 4.16Å; F45-Y111 HydrophobicContact CE1-CG 4.16Å; F45-V113 HydrophobicContact CE2-CG2 3.91Å; F45-V113 HydrophobicContact CZ-CG2 4.17Å; F45-F148 HydrophobicContact CE1-CD2 4.26Å; F45-F148 AromaticContact CE1-CE2 3.79Å; F45-F148 HydrophobicContact CE1-CE2 3.79Å; F45-F148 HydrophobicContact CE1-CZ 4.1Å; F45-F148 HydrophobicContact CZ-CD1 4.46Å; F45-F148 AromaticContact CZ-CD2 3.73Å; F45-F148 HydrophobicContact CZ-CD2 3.73Å; F45-F148 HydrophobicContact CZ-CE1 4.43Å; F45-F148 AromaticContact CZ-CE2 3.71Å; F45-F148 HydrophobicContact CZ-CE2 3.71Å; F45-F148 HydrophobicContact CZ-CG 4.13Å; F45-F148 HydrophobicContact CZ-CZ 4.07Å; F45-M164 HydrophobicContact CD2-CE 3.54Å; F45-M164 HydrophobicContact CE2-CE 3.86Å; F45-L167 HydrophobicContact CE2-CD1 3.58Å; F45-L167 HydrophobicContact CZ-CD1 3.98Å
46A89.1Confident96.6Very high82 Ų8237.1 Ų37.168%0.67823%0.231SC*.THydrogen-bonded Turntrans4939.8-17500000113.5Q48A46-Q48 PolarHBondContact O-N 3.07Å
47G90.1Very high96.6Very high73 Ų7337.1 Ų37.175%0.75323%0.231SC*.THydrogen-bonded Turntrans72.87.2-178.900000115.5F45F45-G47 PolarHBondContact O-N 2.65Å; F45-G47 VanDerWaalsContact O-N 3.16Å
48Q93.1Very high96.6Very high87 Ų8738.4 Ų38.441%0.40724%0.239SC..EExtended strand (participates in β ladder)trans-114.1146.1179.8-62.8-176.9-1.300111.6T44 F45 A46 V50T44-Q48 CarbonylContact C-O 3.57Å; T44-Q48 WeakPolarHBondContact CA-O 3.22Å; F45-Q48 PolarHBondContact N-O 2.79Å; F45-Q48 PolarHBondContact O-N 3.01Å; A46-Q48 PolarHBondContact O-N 3.07Å; Q48-V50 PolarHBondContact O-N 2.87Å
49P96.6Very high96.4Very high85 Ų8539.1 Ų39.155%0.55225%0.246SC*.EExtended strand (participates in β ladder)trans-69.4126.3171.328.6-32.9000110.2M1 G43M1-P49 WeakPolarHBondContact CG-O 3.33Å; G43-P49 WeakPolarHBondContact O-CA 3.5Å
50V97.6Very high96.2Very high0 Ų041.4 Ų41.40%026%0.257CS..EExtended strand (participates in β ladder)trans-134.3158.2-178.1-58.80000111.7K2 V4 G43 F45 Q48 F52K2-V50 HydrophobicContact CB-CG1 4.14Å; K2-V50 WeakPolarHBondContact O-CA 3.37Å; K2-V50 WeakPolarHBondContact O-CB 3.35Å; V4-V50 HydrophobicContact CG2-CB 3.98Å; V4-V50 HydrophobicContact CG2-CG1 4.22Å; V4-V50 HydrophobicContact CG2-CG2 3.85Å; G43-V50 PolarHBondContact N-O 3.09Å; G43-V50 PolarHBondContact O-N 2.89Å; F45-V50 HydrophobicContact CB-CB 4.38Å; F45-V50 HydrophobicContact CB-CG1 3.92Å; F45-V50 HydrophobicContact CB-CG2 3.54Å; Q48-V50 PolarHBondContact O-N 2.87Å; V50-F52 HydrophobicContact CG2-CD2 4.11Å; V50-F52 HydrophobicContact CG2-CE1 4.14Å; V50-F52 HydrophobicContact CG2-CE2 3.71Å; V50-F52 HydrophobicContact CG2-CZ 3.73Å
51R97.9Very high96.1Very high112 Ų11240.2 Ų40.242%0.42325%0.252SS..EExtended strand (participates in β ladder)trans-92.1119.9164.4-175.5-179.8-175.7177.73.4108.8K2 T3 V4 E40K2-R51 PolarHBondContact O-N 3.14Å; T3-R51 CarbonylContact C-O 3.48Å; T3-R51 WeakPolarHBondContact CA-O 3.42Å; V4-R51 PolarHBondContact N-O 3.37Å; E40-R51 VanDerWaalsContact CD-NH2 3.3Å; E40-R51 IonicContact OE1-CZ 3.18Å; E40-R51 IonicContact OE1-NE 3.77Å; E40-R51 IonicContact OE1-NH2 2.74Å; E40-R51 PolarHBondContact OE1-NH2 3Å; E40-R51 IonicContact OE2-CZ 2.76Å; E40-R51 IonicContact OE2-NE 2.76Å; E40-R51 PolarHBondContact OE2-NE 3.36Å; E40-R51 IonicContact OE2-NH2 3.67Å; E40-R51 PolarHBondContact OE2-NH2 2.89Å
52F98.5Very high96.1Very high7 Ų740.4 Ų40.43%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-85.2138.7170.4-75.5-68.2000110.4V4 M6 E40 Y41 F45 V50 M164V4-F52 HydrophobicContact CB-CD1 3.75Å; V4-F52 HydrophobicContact CB-CE1 3.91Å; V4-F52 HydrophobicContact CG1-CD1 4.05Å; V4-F52 HydrophobicContact CG1-CE1 3.97Å; V4-F52 HydrophobicContact CG2-CD1 4.36Å; V4-F52 HydrophobicContact CG2-CE1 4.16Å; M6-F52 HydrophobicContact CE-CB 3.78Å; M6-F52 HydrophobicContact CE-CD1 3.55Å; M6-F52 HydrophobicContact CE-CE1 4.43Å; M6-F52 HydrophobicContact CE-CG 3.9Å; M6-F52 HydrophobicContact CG-CD1 4.35Å; M6-F52 HydrophobicContact SD-CD1 3.75Å; M6-F52 HydrophobicContact SD-CE1 4.14Å; E40-F52 VanDerWaalsContact CA-O 3.28Å; E40-F52 WeakPolarHBondContact CA-O 2.95Å; Y41-F52 HydrophobicContact CD1-CB 3.95Å; Y41-F52 HydrophobicContact CD2-CB 3.95Å; Y41-F52 AromaticContact CD2-CD2 3.82Å; Y41-F52 HydrophobicContact CD2-CD2 3.82Å; Y41-F52 HydrophobicContact CD2-CG 4.28Å; Y41-F52 HydrophobicContact CE1-CB 3.63Å; Y41-F52 HydrophobicContact CE1-CG 4.39Å; Y41-F52 HydrophobicContact CE2-CB 3.64Å; Y41-F52 AromaticContact CE2-CD2 3.29Å; Y41-F52 HydrophobicContact CE2-CD2 3.29Å; Y41-F52 HydrophobicContact CE2-CE2 4.14Å; Y41-F52 AromaticContact CE2-CG 3.66Å; Y41-F52 HydrophobicContact CE2-CG 3.66Å; Y41-F52 HydrophobicContact CG-CB 4.1Å; Y41-F52 VanDerWaalsContact CZ-CB 3.47Å; Y41-F52 AromaticContact CZ-CD2 3.86Å; Y41-F52 AromaticContact CZ-CG 3.72Å; Y41-F52 PolarHBondContact N-O 2.81Å; Y41-F52 VanDerWaalsContact N-O 3.15Å; Y41-F52 PolarHBondContact O-N 2.84Å; F45-F52 HydrophobicContact CB-CE1 4.4Å; F45-F52 HydrophobicContact CB-CZ 3.96Å; F45-F52 HydrophobicContact CD2-CE1 4.08Å; F45-F52 HydrophobicContact CD2-CZ 4.13Å; V50-F52 HydrophobicContact CG2-CD2 4.11Å; V50-F52 HydrophobicContact CG2-CE1 4.14Å; V50-F52 HydrophobicContact CG2-CE2 3.71Å; V50-F52 HydrophobicContact CG2-CZ 3.73Å; F52-M164 HydrophobicContact CE1-CE 3.5Å; F52-M164 VanDerWaalsContact CE1-CE 3.5Å; F52-M164 HydrophobicContact CZ-CE 3.47Å; F52-M164 VanDerWaalsContact CZ-CE 3.47Å
53K98.3Very high96Very high27 Ų2739.4 Ų39.412%0.11725%0.247CC..EExtended strand (participates in β ladder)trans-133.291.1177.7-171177.6-172-172.50108.8T3 V4 L5 M6 V38 E40 E105T3-K53 HydrophobicContact CG2-CB 4.28Å; V4-K53 PolarHBondContact O-N 3.38Å; L5-K53 CarbonylContact C-O 3.28Å; L5-K53 WeakPolarHBondContact CA-O 3.42Å; L5-K53 HydrophobicContact CD1-CD 4.37Å; L5-K53 HydrophobicContact CD1-CG 4.36Å; M6-K53 PolarHBondContact N-O 2.84Å; V38-K53 HydrophobicContact CG1-CD 4.26Å; V38-K53 HydrophobicContact CG1-CG 3.61Å; E40-K53 HydrophobicContact CG-CG 4.23Å; K53-E105 WeakPolarHBondContact CE-OE2 3.4Å; K53-E105 PolarHBondContact NZ-O 2.8Å; K53-E105 IonicContact NZ-OE2 2.72Å; K53-E105 PolarHBondContact NZ-OE2 3.12Å
54M98.6Very high96Very high0 Ų039.6 Ų39.60%024%0.243CC..EExtended strand (participates in β ladder)trans-88.7133.5178.9176.666.979.500110.9M6 A8 A14 I17 A18 H39 W115M6-M54 HydrophobicContact CB-CB 4.23Å; M6-M54 HydrophobicContact CB-CE 3.45Å; M6-M54 VanDerWaalsContact CB-CE 3.45Å; M6-M54 HydrophobicContact CB-CG 4.49Å; M6-M54 HydrophobicContact CB-SD 3.49Å; M6-M54 WeakPolarHBondContact CB-SD 3.43Å; M6-M54 HydrophobicContact CE-CB 3.9Å; M6-M54 HydrophobicContact CE-CE 3.81Å; M6-M54 HydrophobicContact CG-CE 4.3Å; M6-M54 CarbonylContact O-C 3.58Å; M6-M54 WeakPolarHBondContact O-CA 3.34Å; M6-M54 HydrophobicContact SD-CE 3.93Å; A8-M54 HydrophobicContact CB-SD 4.47Å; A14-M54 HydrophobicContact CB-CG 3.95Å; A14-M54 HydrophobicContact CB-SD 4.29Å; I17-M54 HydrophobicContact CB-CE 4.19Å; I17-M54 HydrophobicContact CG2-CE 3.56Å; A18-M54 HydrophobicContact CB-CB 3.93Å; A18-M54 HydrophobicContact CB-CG 3.9Å; H39-M54 HydrophobicContact CB-CB 4.28Å; H39-M54 PolarHBondContact N-O 2.77Å; H39-M54 PolarHBondContact O-N 2.92Å; M54-W115 HydrophobicContact CE-CB 4.41Å; M54-W115 HydrophobicContact CE-CD2 4.38Å; M54-W115 HydrophobicContact CE-CG 3.91Å
55T98.6Very high96Very high0 Ų036.9 Ų36.90%023%0.225CC..EExtended strand (participates in β ladder)trans-146.9-169.7171.3-165.10000110.4L5 M6 V7 A8 A14 S37 F101L5-T55 HydrophobicContact CD1-CG2 4.29Å; M6-T55 PolarHBondContact O-N 2.81Å; V7-T55 WeakPolarHBondContact CA-O 3.21Å; V7-T55 HydrophobicContact CG2-CG2 4.35Å; A8-T55 PolarHBondContact N-O 3.27Å; A14-T55 WeakPolarHBondContact CB-O 3.35Å; S37-T55 PolarHBondContact O-OG1 2.88Å; T55-F101 HydrophobicContact CG2-CE1 4.21Å; T55-F101 HydrophobicContact CG2-CZ 4.32Å; T55-F101 WeakPolarHBondContact OG1-CE1 3.49Å; T55-F101 WeakPolarHBondContact OG1-CZ 3.48Å
56S98.5Very high95.9Very high0 Ų036.2 Ų36.20%022%0.222CC..EExtended strand (participates in β ladder)trans-144164-179.879.50000113.1A8 K10 P11 C36 F101A8-S56 CarbonylContact O-C 3.47Å; A8-S56 WeakPolarHBondContact O-CA 3.49Å; A8-S56 VanDerWaalsContact O-CB 3.3Å; A8-S56 WeakPolarHBondContact O-CB 3.28Å; K10-S56 VanDerWaalsContact C-CB 3.41Å; K10-S56 WeakPolarHBondContact O-CB 3.44Å; P11-S56 WeakPolarHBondContact CA-OG 3.41Å; P11-S56 WeakPolarHBondContact CD-OG 3.46Å; P11-S56 WeakPolarHBondContact CG-OG 3.32Å; P11-S56 VanDerWaalsContact N-OG 3.08Å; C36-S56 PolarHBondContact SG-O 2.97Å; S56-F101 WeakPolarHBondContact O-CE1 3.33Å
57V98.1Very high96.1Very high0 Ų036.1 Ų36.10%021%0.209CC..  trans-90.8-165.1155.3-61.40000110.2V7 A8 E9 P11 G59 V61 M98 L102 L116 I125 V129V7-V57 HydrophobicContact CG1-CG1 4.09Å; A8-V57 PolarHBondContact O-N 2.87Å; E9-V57 CarbonylContact O-C 3.52Å; E9-V57 WeakPolarHBondContact O-CG2 3.21Å; P11-V57 WeakPolarHBondContact CD-O 3.42Å; V57-G59 VanDerWaalsContact CG2-O 3.32Å; V57-G59 WeakPolarHBondContact CG2-O 3.43Å; V57-V61 HydrophobicContact CB-CG2 3.98Å; V57-V61 HydrophobicContact CG1-CG2 3.57Å; V57-V61 HydrophobicContact CG2-CG2 4.45Å; V57-M98 HydrophobicContact CB-CE 4.42Å; V57-M98 HydrophobicContact CB-CG 4.44Å; V57-M98 HydrophobicContact CB-SD 4.18Å; V57-M98 HydrophobicContact CG1-CG 4.18Å; V57-M98 HydrophobicContact CG1-SD 4.07Å; V57-L102 HydrophobicContact CG1-CD1 3.96Å; V57-L102 HydrophobicContact CG1-CD2 4.07Å; V57-L102 HydrophobicContact CG1-CG 4.4Å; V57-L116 HydrophobicContact CG2-CD2 4.38Å; V57-I125 HydrophobicContact CG2-CG2 4.02Å; V57-V129 HydrophobicContact CG1-CG2 3.84Å
58C96.3Very high96Very high51 Ų5135.2 Ų35.235%0.34520%0.2SC..  trans-131.356.9177.7-71.90000110.2E9 L96 M98E9-C58 PolarHBondContact O-N 2.95Å; C58-L96 HydrophobicContact CB-CD1 4.03Å; C58-M98 HydrophobicContact CB-CE 3.95Å
59G94.4Very high95.7Very high15 Ų1537.2 Ų37.216%0.15521%0.207CC..SBendtrans77.8-153.3-164.700000111.7E9 V57 V61E9-G59 PolarHBondContact O-N 2.95Å; V57-G59 VanDerWaalsContact CG2-O 3.32Å; V57-G59 WeakPolarHBondContact CG2-O 3.43Å; G59-V61 PolarHBondContact O-N 2.91Å
60H94.9Very high95.4Very high52 Ų5234.4 Ų34.424%0.24119%0.186CC..  trans-50.7127.2176.8-86.4-79.2000112.4M62 A92 E121 N124 I125 E128H60-M62 WeakPolarHBondContact CB-O 3.42Å; H60-A92 WeakPolarHBondContact O-CB 3.4Å; H60-E121 IonicContact CE1-OE2 3.97Å; H60-E121 IonicContact NE2-OE2 3.34Å; H60-E121 PolarHBondContact NE2-OE2 3.01Å; H60-N124 PolarHBondContact CE1-OD1 2.85Å; H60-I125 WeakPolarHBondContact ND1-CG1 3.42Å; H60-E128 IonicContact ND1-OE1 3.58Å; H60-E128 PolarHBondContact ND1-OE1 2.78Å; H60-E128 IonicContact ND1-OE2 2.84Å
61V96.3Very high94.9Very high4 Ų436.8 Ų36.82%0.02420%0.199CC..SBendtrans-75.5-38173.4-179.40000108.9V57 G59 E91 A92 M98 V99 L102 I125 E128V57-V61 HydrophobicContact CB-CG2 3.98Å; V57-V61 HydrophobicContact CG1-CG2 3.57Å; V57-V61 HydrophobicContact CG2-CG2 4.45Å; G59-V61 PolarHBondContact O-N 2.91Å; V61-E91 CarbonylContact O-C 3.59Å; V61-E91 WeakPolarHBondContact O-CA 3.31Å; V61-A92 PolarHBondContact O-N 2.84Å; V61-M98 HydrophobicContact CB-CG 4.42Å; V61-M98 HydrophobicContact CG1-CB 4.06Å; V61-M98 HydrophobicContact CG1-CG 3.9Å; V61-M98 HydrophobicContact CG2-CG 3.97Å; V61-V99 HydrophobicContact CG1-CG2 3.96Å; V61-L102 HydrophobicContact CG2-CD1 4.37Å; V61-I125 HydrophobicContact CG2-CG2 4.35Å; V61-E128 WeakPolarHBondContact CA-OE2 3.48Å; V61-E128 HydrophobicContact CB-CB 4.16Å; V61-E128 WeakPolarHBondContact CB-OE2 3.36Å; V61-E128 HydrophobicContact CG2-CB 4.44Å; V61-E128 PolarHBondContact N-OE2 2.91Å
62M96.7Very high94.3Very high21 Ų2137.2 Ų37.210%0.10320%0.204CC..EExtended strand (participates in β ladder)trans-114.5160.3-176.1-56.2-62.8-171.500112.9H60 K89 K90 E91 V99 E128H60-M62 WeakPolarHBondContact CB-O 3.42Å; M62-K89 HydrophobicContact CB-CB 3.92Å; M62-K89 HydrophobicContact CB-CD 4.12Å; M62-K89 HydrophobicContact CB-CG 4.28Å; M62-K89 HydrophobicContact CG-CB 4.14Å; M62-K89 HydrophobicContact CG-CD 4.41Å; M62-K90 CarbonylContact C-O 3.52Å; M62-K90 VanDerWaalsContact CA-O 3.25Å; M62-K90 WeakPolarHBondContact CA-O 3.42Å; M62-E91 HydrophobicContact SD-CG 4.39Å; M62-V99 HydrophobicContact CE-CG2 3.41Å; M62-V99 VanDerWaalsContact CE-CG2 3.41Å; M62-V99 HydrophobicContact SD-CG2 4.37Å; M62-E128 HydrophobicContact CB-CG 4.33Å; M62-E128 WeakPolarHBondContact CB-OE1 3.21Å; M62-E128 HydrophobicContact CG-CB 4.44Å; M62-E128 HydrophobicContact CG-CG 4.15Å; M62-E128 PolarHBondContact N-OE2 3.47Å; M62-E128 VanDerWaalsContact N-OE2 3.09Å
63T95.4Very high93.6Very high75 Ų7543 Ų4346%0.4623%0.225SC..EExtended strand (participates in β ladder)trans-137.2136.7166.2-61.40000107.7K90 A92T63-K90 PolarHBondContact N-O 3.2Å; T63-K90 PolarHBondContact O-N 2.64Å; T63-A92 WeakPolarHBondContact OG1-CA 3.17Å; T63-A92 VanDerWaalsContact OG1-CB 3.23Å; T63-A92 WeakPolarHBondContact OG1-CB 3.35Å
64L95.7Very high92.7Very high26 Ų2646.9 Ų46.914%0.13625%0.248CC..EExtended strand (participates in β ladder)trans-75.8131.9178.4-165.472.4000110.6T87 K89 Q182 E183 L186L64-T87 HydrophobicContact CD2-CG2 4.49Å; L64-K89 HydrophobicContact CD1-CG 4.02Å; L64-Q182 HydrophobicContact CD2-CB 4.45Å; L64-E183 HydrophobicContact CD2-CB 3.66Å; L64-E183 HydrophobicContact CD2-CG 4.1Å; L64-L186 HydrophobicContact CB-CD2 4.49Å; L64-L186 HydrophobicContact CD2-CD2 4.19Å; L64-L186 HydrophobicContact CG-CD2 4.13Å
65D95.4Very high91.7Very high44 Ų4454.4 Ų54.424%0.23528%0.28CS..EExtended strand (participates in β ladder)trans-146168.2177.7-173.726.4000110.6N71 T87 E88 K90D65-N71 PolarHBondContact OD1-OD1 2.85Å; D65-N71 PolarHBondContact OD2-ND2 3.27Å; D65-N71 PolarHBondContact OD2-OD1 3.43Å; D65-T87 CarbonylContact O-C 3.59Å; D65-T87 WeakPolarHBondContact O-CA 3.19Å; D65-E88 PolarHBondContact N-O 3.28Å; D65-E88 PolarHBondContact O-N 3.06Å; D65-K90 HydrophobicContact CB-CD 4.3Å; D65-K90 IonicContact OD2-NZ 2.66Å; D65-K90 PolarHBondContact OD2-NZ 2.6Å
66F94.8Very high91.2Very high0 Ų054.9 Ų54.90%028%0.283CS..EExtended strand (participates in β ladder)trans-77.3156.5174.3-57.9-79.1000112N71 L81 A85 T87 K90 L186 R187 C190F66-N71 WeakPolarHBondContact CB-OD1 3.46Å; F66-N71 PolarHBondContact O-ND2 3.02Å; F66-N71 PolarHBondContact O-OD1 2.97Å; F66-L81 HydrophobicContact CD1-CD2 4.29Å; F66-L81 HydrophobicContact CD2-CD2 4.44Å; F66-L81 HydrophobicContact CE1-CB 4.17Å; F66-L81 HydrophobicContact CE1-CD2 4.05Å; F66-L81 HydrophobicContact CE2-CD1 4.37Å; F66-L81 HydrophobicContact CE2-CD2 4.21Å; F66-L81 HydrophobicContact CG-CD2 4.47Å; F66-L81 HydrophobicContact CZ-CB 3.94Å; F66-L81 HydrophobicContact CZ-CD1 4.33Å; F66-L81 HydrophobicContact CZ-CD2 4Å; F66-L81 HydrophobicContact CZ-CG 4.31Å; F66-A85 HydrophobicContact CD1-CB 3.7Å; F66-A85 HydrophobicContact CE1-CB 4.01Å; F66-T87 HydrophobicContact CD1-CG2 3.86Å; F66-T87 HydrophobicContact CE1-CG2 4.04Å; F66-K90 PolarHBondContact O-NZ 3.44Å; F66-L186 HydrophobicContact CE2-CD1 4.03Å; F66-L186 HydrophobicContact CE2-CD2 4.28Å; F66-L186 HydrophobicContact CE2-CG 3.91Å; F66-L186 HydrophobicContact CZ-CD2 4.37Å; F66-L186 HydrophobicContact CZ-CG 4.05Å; F66-R187 HydrophobicContact CE1-CG 4.18Å; F66-R187 HydrophobicContact CZ-CG 4.29Å; F66-C190 HydrophobicContact CE2-CB 3.92Å; F66-C190 HydrophobicContact CZ-CB 4.39Å
67L91.8Very high90.9Very high79 Ų7959 Ų5941%0.41431%0.305SS..  trans-83.8130.9179-167.865.7000112.2K69 Y70 P86 E88L67-K69 PolarHBondContact O-N 3.35Å; L67-K69 VanDerWaalsContact O-N 3.16Å; L67-Y70 WeakPolarHBondContact O-CD2 3.24Å; L67-Y70 PolarHBondContact O-N 2.92Å; L67-P86 HydrophobicContact CB-CG 3.93Å; L67-P86 HydrophobicContact CD2-CG 4.06Å; L67-P86 PolarHBondContact N-O 3.22Å; L67-E88 HydrophobicContact CD1-CB 4.4Å; L67-E88 WeakPolarHBondContact CD1-OE2 3.49Å
68G89.3Confident90.7Very high54 Ų5459.6 Ų59.656%0.55731%0.309SS*.G310 helixtrans56.4-114.3165.600000114.9Y70 N71G68-Y70 PolarHBondContact O-N 2.98Å; G68-N71 PolarHBondContact O-N 3.31Å
69K86.9Confident90.7Very high130 Ų13057.8 Ų57.857%0.56530%0.298SS*.G310 helixtrans-62.8-27-172.267.4172.4-177.21670113.6L67 N71 K72L67-K69 PolarHBondContact O-N 3.35Å; L67-K69 VanDerWaalsContact O-N 3.16Å; K69-N71 PolarHBondContact O-N 2.82Å; K69-N71 VanDerWaalsContact O-N 3.15Å; K69-K72 PolarHBondContact O-N 3.1Å
70Y89.9Confident90.7Very high25 Ų2559.3 Ų59.310%0.09830%0.301CS..G310 helixtrans-71.4-4.6-176.1-65.9-70000113.7L67 G68 V76 E80 L81 A85 R194L67-Y70 WeakPolarHBondContact O-CD2 3.24Å; L67-Y70 PolarHBondContact O-N 2.92Å; G68-Y70 PolarHBondContact O-N 2.98Å; Y70-V76 HydrophobicContact CD1-CB 4.07Å; Y70-V76 HydrophobicContact CD1-CG1 3.69Å; Y70-V76 HydrophobicContact CD1-CG2 4.42Å; Y70-V76 HydrophobicContact CE1-CG1 4.17Å; Y70-V76 HydrophobicContact CG-CG1 4.47Å; Y70-E80 HydrophobicContact CE1-CB 4.31Å; Y70-E80 WeakPolarHBondContact CE1-OE2 3.48Å; Y70-L81 HydrophobicContact CD1-CD2 4.1Å; Y70-A85 HydrophobicContact CD1-CB 3.69Å; Y70-A85 HydrophobicContact CD2-CB 3.86Å; Y70-A85 HydrophobicContact CE1-CB 3.94Å; Y70-A85 HydrophobicContact CE2-CB 4.08Å; Y70-A85 HydrophobicContact CG-CB 3.66Å; Y70-R194 PolarHBondContact O-NH1 3.46Å; Y70-R194 PolarHBondContact O-NH2 3.46Å
71N86.8Confident90.8Very high50 Ų5056.9 Ų56.927%0.26729%0.29SS..G310 helixtrans-83.6-16172.5-71.73000113.6D65 F66 G68 K69 K90D65-N71 PolarHBondContact OD1-OD1 2.85Å; D65-N71 PolarHBondContact OD2-ND2 3.27Å; D65-N71 PolarHBondContact OD2-OD1 3.43Å; F66-N71 WeakPolarHBondContact CB-OD1 3.46Å; F66-N71 PolarHBondContact O-ND2 3.02Å; F66-N71 PolarHBondContact O-OD1 2.97Å; G68-N71 PolarHBondContact O-N 3.31Å; K69-N71 PolarHBondContact O-N 2.82Å; K69-N71 VanDerWaalsContact O-N 3.15Å; N71-K90 PolarHBondContact ND2-NZ 2.71Å; N71-K90 VanDerWaalsContact ND2-NZ 3.11Å
72K85.4Confident90.7Very high122 Ų12256.8 Ų56.853%0.5329%0.289SS..  trans-86.5120.9179.3-66.1-175.9179.6-179.40109.7K69 D74 K75K69-K72 PolarHBondContact O-N 3.1Å; K72-D74 VanDerWaalsContact C-N 3.34Å; K72-D74 PolarHBondContact O-N 3.33Å; K72-K75 HydrophobicContact CB-CB 4.25Å; K72-K75 HydrophobicContact CB-CD 4.49Å; K72-K75 HydrophobicContact CB-CG 4.24Å; K72-K75 HydrophobicContact CD-CD 3.98Å
73W83.8Confident90.5Very high127 Ų12759 Ų5948%0.48131%0.306SS..G310 helixtrans-65.2-36.7-173.9-68.151.1000112.2K75 T193 R194 T197W73-K75 PolarHBondContact O-N 3.2Å; W73-T193 HydrophobicContact CH2-CG2 4.03Å; W73-T193 HydrophobicContact CZ3-CG2 4.05Å; W73-R194 HydrophobicContact CD2-CG 3.89Å; W73-R194 HydrophobicContact CE3-CB 4.39Å; W73-R194 HydrophobicContact CE3-CG 3.64Å; W73-R194 HydrophobicContact CG-CG 4.44Å; W73-R194 HydrophobicContact CH2-CG 4.43Å; W73-R194 HydrophobicContact CZ3-CG 3.93Å; W73-T197 HydrophobicContact CZ3-CG2 4.08Å
74D78.4Confident90.4Very high110 Ų11061.5 Ų61.559%0.58831%0.313SS*.G310 helixtrans-79.3-21.3-173.1-56.8-38.3000114.4K72 K198K72-D74 VanDerWaalsContact C-N 3.34Å; K72-D74 PolarHBondContact O-N 3.33Å; D74-K198 PolarHBondContact O-NZ 3.32Å; D74-K198 VanDerWaalsContact O-NZ 3.09Å
75K79.1Confident90.3Very high157 Ų15760.3 Ų60.368%0.68331%0.307SS*.G310 helixtrans-105.4-0.6-159.5-60.7-161.4179.9-159.80115.3K72 W73K72-K75 HydrophobicContact CB-CB 4.25Å; K72-K75 HydrophobicContact CB-CD 4.49Å; K72-K75 HydrophobicContact CB-CG 4.24Å; K72-K75 HydrophobicContact CD-CD 3.98Å; W73-K75 PolarHBondContact O-N 3.2Å
76V87.8Confident90.3Very high10 Ų1061.1 Ų61.16%0.06132%0.315CS..SBendtrans-131.3145.5-176.6-600000110.8Y70 P78 L81Y70-V76 HydrophobicContact CD1-CB 4.07Å; Y70-V76 HydrophobicContact CD1-CG1 3.69Å; Y70-V76 HydrophobicContact CD1-CG2 4.42Å; Y70-V76 HydrophobicContact CE1-CG1 4.17Å; Y70-V76 HydrophobicContact CG-CG1 4.47Å; V76-P78 WeakPolarHBondContact O-CD 3.24Å; V76-L81 HydrophobicContact CG2-CD2 4.42Å
77D92.3Very high90.4Very high87 Ų8763 Ų6347%0.46533%0.326SS..  trans-70122.2169.4-176.6-18.7000108.3A79 E80D77-A79 PolarHBondContact O-N 3.16Å; D77-A79 VanDerWaalsContact O-N 3.11Å; D77-A79 WeakPolarHBondContact OD1-CB 3.09Å; D77-A79 PolarHBondContact OD1-N 2.86Å; D77-E80 HydrophobicContact CB-CG 4.08Å; D77-E80 WeakPolarHBondContact O-CB 3.24Å; D77-E80 PolarHBondContact O-N 2.96Å
78P94.3Very high90.5Very high13 Ų1363.9 Ų63.98%0.08433%0.328CS..G310 helixtrans-56.2-25.1177.5-23.934.1000114.1V76 E80 L81 A191 R194 F195 F593V76-P78 WeakPolarHBondContact O-CD 3.24Å; P78-E80 VanDerWaalsContact C-N 3.27Å; P78-E80 PolarHBondContact O-N 3.49Å; P78-L81 WeakPolarHBondContact O-CB 3.28Å; P78-L81 WeakPolarHBondContact O-CG 3.11Å; P78-L81 PolarHBondContact O-N 2.77Å; P78-A191 WeakPolarHBondContact CB-O 2.99Å; P78-R194 HydrophobicContact CG-CB 4.33Å; P78-F195 HydrophobicContact CB-CB 4.16Å; P78-F195 HydrophobicContact CG-CB 4.03Å; P78-F593 HydrophobicContact CB-CZ 3.93Å
79A95.4Very high90.8Very high13 Ų1364.5 Ų64.511%0.10732%0.315CS..G310 helixtrans-65.4-28.3175.400000113.1D77 L81 F593D77-A79 PolarHBondContact O-N 3.16Å; D77-A79 VanDerWaalsContact O-N 3.11Å; D77-A79 WeakPolarHBondContact OD1-CB 3.09Å; D77-A79 PolarHBondContact OD1-N 2.86Å; A79-L81 PolarHBondContact O-N 2.93Å; A79-F593 HydrophobicContact CB-CD1 4.39Å; A79-F593 HydrophobicContact CB-CE1 3.9Å
80E95.4Very high91.2Very high47 Ų4761.4 Ų61.422%0.2230%0.302CS..G310 helixtrans-66.3-24.1177.8-68.8176.3-165.700111.9Y70 D77 P78 F82 S83 Q84 A85Y70-E80 HydrophobicContact CE1-CB 4.31Å; Y70-E80 WeakPolarHBondContact CE1-OE2 3.48Å; D77-E80 HydrophobicContact CB-CG 4.08Å; D77-E80 WeakPolarHBondContact O-CB 3.24Å; D77-E80 PolarHBondContact O-N 2.96Å; P78-E80 VanDerWaalsContact C-N 3.27Å; P78-E80 PolarHBondContact O-N 3.49Å; E80-F82 PolarHBondContact O-N 3.06Å; E80-S83 PolarHBondContact O-N 3.37Å; E80-Q84 HydrophobicContact CB-CB 4.19Å; E80-Q84 PolarHBondContact O-N 2.58Å; E80-A85 PolarHBondContact O-N 3.12Å
81L95.9Very high91.4Very high0 Ų062.7 Ų62.70%031%0.309CS..G310 helixtrans-67.5-19.1-175.7-57.3-178.1000113.7F66 Y70 V76 P78 A79 A85 R187 C190 A191F66-L81 HydrophobicContact CD1-CD2 4.29Å; F66-L81 HydrophobicContact CD2-CD2 4.44Å; F66-L81 HydrophobicContact CE1-CB 4.17Å; F66-L81 HydrophobicContact CE1-CD2 4.05Å; F66-L81 HydrophobicContact CE2-CD1 4.37Å; F66-L81 HydrophobicContact CE2-CD2 4.21Å; F66-L81 HydrophobicContact CG-CD2 4.47Å; F66-L81 HydrophobicContact CZ-CB 3.94Å; F66-L81 HydrophobicContact CZ-CD1 4.33Å; F66-L81 HydrophobicContact CZ-CD2 4Å; F66-L81 HydrophobicContact CZ-CG 4.31Å; Y70-L81 HydrophobicContact CD1-CD2 4.1Å; V76-L81 HydrophobicContact CG2-CD2 4.42Å; P78-L81 WeakPolarHBondContact O-CB 3.28Å; P78-L81 WeakPolarHBondContact O-CG 3.11Å; P78-L81 PolarHBondContact O-N 2.77Å; A79-L81 PolarHBondContact O-N 2.93Å; L81-A85 HydrophobicContact CD2-CB 3.91Å; L81-R187 WeakPolarHBondContact O-CG 3.39Å; L81-R187 PolarHBondContact O-NH1 2.93Å; L81-C190 HydrophobicContact CD1-CB 4Å; L81-A191 HydrophobicContact CB-CB 4.44Å
82F95.3Very high91.8Very high2 Ų262.5 Ų62.51%0.00931%0.314CS..G310 helixtrans-73.9-36.7178.2-73.3-82.5000113.7E80 I188 A191 F192 L586 F589 K590 F593E80-F82 PolarHBondContact O-N 3.06Å; F82-I188 HydrophobicContact CE1-CG1 4.22Å; F82-A191 HydrophobicContact CD2-CB 4.08Å; F82-A191 HydrophobicContact CE1-CB 4.48Å; F82-A191 HydrophobicContact CE2-CB 3.33Å; F82-A191 HydrophobicContact CZ-CB 3.57Å; F82-F192 HydrophobicContact CZ-CD2 4.35Å; F82-F192 HydrophobicContact CZ-CE2 4.05Å; F82-L586 HydrophobicContact CD1-CD2 4.26Å; F82-F589 HydrophobicContact CE1-CB 3.91Å; F82-K590 HydrophobicContact CB-CB 4.19Å; F82-K590 HydrophobicContact CB-CD 4.07Å; F82-K590 HydrophobicContact CB-CG 4.18Å; F82-K590 HydrophobicContact CD1-CB 3.99Å; F82-K590 HydrophobicContact CD2-CB 4.33Å; F82-K590 HydrophobicContact CD2-CG 4.24Å; F82-K590 HydrophobicContact CE1-CB 4.49Å; F82-K590 HydrophobicContact CG-CB 3.91Å; F82-K590 HydrophobicContact CG-CG 4.13Å; F82-F593 HydrophobicContact CE2-CB 3.63Å; F82-F593 AromaticContact CE2-CD1 3.73Å; F82-F593 HydrophobicContact CE2-CD1 3.73Å; F82-F593 AromaticContact CE2-CD2 3.99Å; F82-F593 HydrophobicContact CE2-CD2 3.99Å; F82-F593 HydrophobicContact CE2-CE1 4.43Å; F82-F593 AromaticContact CE2-CG 3.48Å; F82-F593 HydrophobicContact CE2-CG 3.48Å; F82-F593 VanDerWaalsContact CE2-CG 3.48Å; F82-F593 HydrophobicContact CZ-CB 3.6Å; F82-F593 HydrophobicContact CZ-CD2 4.18Å; F82-F593 AromaticContact CZ-CG 3.85Å; F82-F593 HydrophobicContact CZ-CG 3.85Å
83S92.4Very high92.3Very high68 Ų6860.2 Ų60.248%0.47631%0.308SS..THydrogen-bonded Turntrans-142.8-26.3-169.3-38.60000114.8E80 K590E80-S83 PolarHBondContact O-N 3.37Å; S83-K590 PolarHBondContact OG-NZ 3.39Å
84Q92.4Very high92.8Very high127 Ų12758.3 Ų58.359%0.59331%0.312SS*.THydrogen-bonded Turntrans-94.7-33.1-173.8-58.1-174.936.500112.2E80 P86E80-Q84 HydrophobicContact CB-CB 4.19Å; E80-Q84 PolarHBondContact O-N 2.58Å; Q84-P86 VanDerWaalsContact O-CD 3.31Å; Q84-P86 WeakPolarHBondContact O-CD 3.48Å
85A93.8Very high93.6Very high2 Ų262 Ų622%0.01732%0.323CS..SBendtrans-74.5117.818000000110.8F66 Y70 E80 L81 R187F66-A85 HydrophobicContact CD1-CB 3.7Å; F66-A85 HydrophobicContact CE1-CB 4.01Å; Y70-A85 HydrophobicContact CD1-CB 3.69Å; Y70-A85 HydrophobicContact CD2-CB 3.86Å; Y70-A85 HydrophobicContact CE1-CB 3.94Å; Y70-A85 HydrophobicContact CE2-CB 4.08Å; Y70-A85 HydrophobicContact CG-CB 3.66Å; E80-A85 PolarHBondContact O-N 3.12Å; L81-A85 HydrophobicContact CD2-CB 3.91Å; A85-R187 PolarHBondContact O-NH1 2.6Å; A85-R187 PolarHBondContact O-NH2 2.88Å
86P95.6Very high94.3Very high60 Ų6056.3 Ų56.339%0.3930%0.299SS..  trans-72145.7172.928.8-29.5000110.3L67 Q84L67-P86 HydrophobicContact CB-CG 3.93Å; L67-P86 HydrophobicContact CD2-CG 4.06Å; L67-P86 PolarHBondContact N-O 3.22Å; Q84-P86 VanDerWaalsContact O-CD 3.31Å; Q84-P86 WeakPolarHBondContact O-CD 3.48Å
87T95.8Very high94.8Very high39 Ų3959.7 Ų59.724%0.23932%0.317CS..EExtended strand (participates in β ladder)trans-107.5148.2175.842.90000109.8L64 D65 F66 L186 R187L64-T87 HydrophobicContact CD2-CG2 4.49Å; D65-T87 CarbonylContact O-C 3.59Å; D65-T87 WeakPolarHBondContact O-CA 3.19Å; F66-T87 HydrophobicContact CD1-CG2 3.86Å; F66-T87 HydrophobicContact CE1-CG2 4.04Å; T87-L186 HydrophobicContact CG2-CD2 4.14Å; T87-R187 PolarHBondContact OG1-NH2 2.98Å
88E95.7Very high95Very high98 Ų9855.9 Ų55.946%0.45830%0.297SS..EExtended strand (participates in β ladder)trans-142.9142.5179.4-175.2-179.4-145.400109.4D65 L67D65-E88 PolarHBondContact N-O 3.28Å; D65-E88 PolarHBondContact O-N 3.06Å; L67-E88 HydrophobicContact CD1-CB 4.4Å; L67-E88 WeakPolarHBondContact CD1-OE2 3.49Å
89K95.3Very high95.2Very high67 Ų6756.5 Ų56.529%0.29130%0.3SS..EExtended strand (participates in β ladder)trans-76.9121.5170.5-75.8-168.9-179-170.60109.1M62 L64 D179M62-K89 HydrophobicContact CB-CB 3.92Å; M62-K89 HydrophobicContact CB-CD 4.12Å; M62-K89 HydrophobicContact CB-CG 4.28Å; M62-K89 HydrophobicContact CG-CB 4.14Å; M62-K89 HydrophobicContact CG-CD 4.41Å; L64-K89 HydrophobicContact CD1-CG 4.02Å; K89-D179 VanDerWaalsContact CE-OD1 3.28Å; K89-D179 WeakPolarHBondContact CE-OD1 3.42Å; K89-D179 VanDerWaalsContact NZ-CG 3.35Å; K89-D179 IonicContact NZ-OD1 3.28Å; K89-D179 PolarHBondContact NZ-OD1 3.27Å; K89-D179 IonicContact NZ-OD2 2.68Å; K89-D179 PolarHBondContact NZ-OD2 3.17Å
90K94.8Very high95.3Very high66 Ų6661.9 Ų61.929%0.28732%0.321SS..EExtended strand (participates in β ladder)trans-114.4154.4174.6-63.3179.3-169.6156.40109.6M62 T63 D65 F66 N71 A92M62-K90 CarbonylContact C-O 3.52Å; M62-K90 VanDerWaalsContact CA-O 3.25Å; M62-K90 WeakPolarHBondContact CA-O 3.42Å; T63-K90 PolarHBondContact N-O 3.2Å; T63-K90 PolarHBondContact O-N 2.64Å; D65-K90 HydrophobicContact CB-CD 4.3Å; D65-K90 IonicContact OD2-NZ 2.66Å; D65-K90 PolarHBondContact OD2-NZ 2.6Å; F66-K90 PolarHBondContact O-NZ 3.44Å; N71-K90 PolarHBondContact ND2-NZ 2.71Å; N71-K90 VanDerWaalsContact ND2-NZ 3.11Å; K90-A92 PolarHBondContact O-N 3.17Å
91E95.1Very high95.4Very high52 Ų5259.6 Ų59.624%0.24331%0.31CS..EExtended strand (participates in β ladder)trans-55.4125.5176-72.7-160.8-163.100110.8V61 M62 N93 P94 N97 M98 V99V61-E91 CarbonylContact O-C 3.59Å; V61-E91 WeakPolarHBondContact O-CA 3.31Å; M62-E91 HydrophobicContact SD-CG 4.39Å; E91-N93 PolarHBondContact O-N 3.08Å; E91-P94 HydrophobicContact CB-CG 4.44Å; E91-P94 WeakPolarHBondContact O-CD 3.24Å; E91-N97 WeakPolarHBondContact OE2-CA 3.38Å; E91-M98 PolarHBondContact OE2-N 3.06Å; E91-V99 HydrophobicContact CG-CG2 3.89Å; E91-V99 WeakPolarHBondContact OE1-CB 3.37Å; E91-V99 WeakPolarHBondContact OE1-CG2 3.39Å; E91-V99 PolarHBondContact OE1-N 3.42Å
92A94.8Very high95.5Very high45 Ų4559.7 Ų59.737%0.37231%0.311SS..SBendtrans-60.4-36.7-178.400000111.7H60 V61 T63 K90H60-A92 WeakPolarHBondContact O-CB 3.4Å; V61-A92 PolarHBondContact O-N 2.84Å; T63-A92 WeakPolarHBondContact OG1-CA 3.17Å; T63-A92 VanDerWaalsContact OG1-CB 3.23Å; T63-A92 WeakPolarHBondContact OG1-CB 3.35Å; K90-A92 PolarHBondContact O-N 3.17Å
93N95.2Very high95.7Very high75 Ų7563.3 Ų63.340%0.40133%0.328SS..SBendtrans-133.790.8173-173.2-8.6000110.6E91 K95 L96E91-N93 PolarHBondContact O-N 3.08Å; N93-K95 PolarHBondContact O-N 3.05Å; N93-K95 WeakPolarHBondContact OD1-CB 3.39Å; N93-K95 PolarHBondContact OD1-N 3.02Å; N93-L96 HydrophobicContact CB-CD1 4.1Å; N93-L96 HydrophobicContact CB-CG 4.23Å; N93-L96 PolarHBondContact O-N 3.44Å
94P94Very high96Very high87 Ų8763.5 Ų63.557%0.56533%0.326SS*.G310 helixtrans-59.1-21-176.8-25.835000114.2E91 L96 N97E91-P94 HydrophobicContact CB-CG 4.44Å; E91-P94 WeakPolarHBondContact O-CD 3.24Å; P94-L96 PolarHBondContact O-N 3.5Å; P94-N97 PolarHBondContact O-N 3.27Å; P94-N97 PolarHBondContact O-OD1 2.69Å
95K95.1Very high96.2Very high188 Ų18858.4 Ų58.482%0.81730%0.302SS*.G310 helixtrans-68.7-25.7177.6-62.7179.8179.21770112.3N93 N97N93-K95 PolarHBondContact O-N 3.05Å; N93-K95 WeakPolarHBondContact OD1-CB 3.39Å; N93-K95 PolarHBondContact OD1-N 3.02Å; K95-N97 VanDerWaalsContact C-N 3.35Å
96L95.2Very high96.4Very high36 Ų3658.3 Ų58.319%0.18830%0.301CS..G310 helixtrans-81.1-15.4179.2-65-179.6000112.9N33 A35 C58 N93 P94 M98N33-L96 WeakPolarHBondContact CB-O 3.25Å; A35-L96 HydrophobicContact CB-CD2 3.96Å; C58-L96 HydrophobicContact CB-CD1 4.03Å; N93-L96 HydrophobicContact CB-CD1 4.1Å; N93-L96 HydrophobicContact CB-CG 4.23Å; N93-L96 PolarHBondContact O-N 3.44Å; P94-L96 PolarHBondContact O-N 3.5Å; L96-M98 HydrophobicContact CB-CE 4.39Å; L96-M98 HydrophobicContact CD1-CE 4.23Å; L96-M98 PolarHBondContact O-N 3.02Å
97N96.7Very high96.4Very high81 Ų8164.5 Ų64.543%0.43332%0.317SS..  trans4549.8-176.4-63.4-72.8000111.6E91 P94 K95 V99 K100 F101E91-N97 WeakPolarHBondContact OE2-CA 3.38Å; P94-N97 PolarHBondContact O-N 3.27Å; P94-N97 PolarHBondContact O-OD1 2.69Å; K95-N97 VanDerWaalsContact C-N 3.35Å; N97-V99 PolarHBondContact O-N 3.02Å; N97-K100 HydrophobicContact CB-CB 4.35Å; N97-K100 PolarHBondContact O-N 2.88Å; N97-F101 PolarHBondContact O-N 3.03Å
98M97.9Very high96.3Very high8 Ų864.1 Ų64.14%0.03932%0.321CS..Hα-helixtrans-68.6-37.5-163.5-173.761.472.700111.6V57 C58 V61 E91 L96 K100 F101 L102V57-M98 HydrophobicContact CB-CE 4.42Å; V57-M98 HydrophobicContact CB-CG 4.44Å; V57-M98 HydrophobicContact CB-SD 4.18Å; V57-M98 HydrophobicContact CG1-CG 4.18Å; V57-M98 HydrophobicContact CG1-SD 4.07Å; C58-M98 HydrophobicContact CB-CE 3.95Å; V61-M98 HydrophobicContact CB-CG 4.42Å; V61-M98 HydrophobicContact CG1-CB 4.06Å; V61-M98 HydrophobicContact CG1-CG 3.9Å; V61-M98 HydrophobicContact CG2-CG 3.97Å; E91-M98 PolarHBondContact OE2-N 3.06Å; L96-M98 HydrophobicContact CB-CE 4.39Å; L96-M98 HydrophobicContact CD1-CE 4.23Å; L96-M98 PolarHBondContact O-N 3.02Å; M98-K100 PolarHBondContact O-N 3.07Å; M98-F101 WeakPolarHBondContact O-CB 3.41Å; M98-F101 PolarHBondContact O-N 3.24Å; M98-F101 HydrophobicContact SD-CD1 3.84Å; M98-L102 HydrophobicContact CG-CD1 4.47Å; M98-L102 WeakPolarHBondContact O-CG 3.43Å; M98-L102 PolarHBondContact O-N 2.65Å
99V97.8Very high96.3Very high25 Ų2559.6 Ų59.615%0.15230%0.3CS..Hα-helixtrans-62.2-45.9176.8177.30000110.3V61 M62 E91 N97 F101 L102 Q103 A132V61-V99 HydrophobicContact CG1-CG2 3.96Å; M62-V99 HydrophobicContact CE-CG2 3.41Å; M62-V99 VanDerWaalsContact CE-CG2 3.41Å; M62-V99 HydrophobicContact SD-CG2 4.37Å; E91-V99 HydrophobicContact CG-CG2 3.89Å; E91-V99 WeakPolarHBondContact OE1-CB 3.37Å; E91-V99 WeakPolarHBondContact OE1-CG2 3.39Å; E91-V99 PolarHBondContact OE1-N 3.42Å; N97-V99 PolarHBondContact O-N 3.02Å; V99-F101 VanDerWaalsContact C-N 3.33Å; V99-F101 PolarHBondContact O-N 3.19Å; V99-L102 PolarHBondContact O-N 3.34Å; V99-Q103 HydrophobicContact CG1-CG 4.47Å; V99-Q103 WeakPolarHBondContact O-CB 3.47Å; V99-Q103 VanDerWaalsContact O-CG 3.3Å; V99-Q103 WeakPolarHBondContact O-CG 3.38Å; V99-Q103 PolarHBondContact O-N 2.89Å; V99-A132 HydrophobicContact CG1-CB 4.09Å
100K97.5Very high96.4Very high126 Ų12658 Ų5855%0.54829%0.294SS..Hα-helixtrans-62.4-40.8177.5-174176.9-178.3178.70111.7N97 M98 Q103 V104N97-K100 HydrophobicContact CB-CB 4.35Å; N97-K100 PolarHBondContact O-N 2.88Å; M98-K100 PolarHBondContact O-N 3.07Å; K100-Q103 PolarHBondContact O-N 3.34Å; K100-V104 WeakPolarHBondContact O-CG2 3.21Å; K100-V104 PolarHBondContact O-N 3.34Å
101F98.2Very high96.5Very high0 Ų055.7 Ų55.70%028%0.284CS..Hα-helixtrans-58.7-50.9174.9171.5-112.3000111.9L32 C36 V38 T55 S56 N97 M98 V99 Q103 V104 E105L32-F101 HydrophobicContact CD1-CB 4.47Å; L32-F101 HydrophobicContact CD2-CB 4.31Å; L32-F101 HydrophobicContact CD2-CD2 4.28Å; L32-F101 HydrophobicContact CG-CB 4.21Å; L32-F101 HydrophobicContact CG-CD2 4Å; C36-F101 HydrophobicContact CB-CD1 4.25Å; C36-F101 HydrophobicContact CB-CE1 3.51Å; C36-F101 HydrophobicContact CB-CE2 4.32Å; C36-F101 HydrophobicContact CB-CZ 3.54Å; V38-F101 HydrophobicContact CG2-CE2 4.25Å; V38-F101 HydrophobicContact CG2-CZ 4.2Å; T55-F101 HydrophobicContact CG2-CE1 4.21Å; T55-F101 HydrophobicContact CG2-CZ 4.32Å; T55-F101 WeakPolarHBondContact OG1-CE1 3.49Å; T55-F101 WeakPolarHBondContact OG1-CZ 3.48Å; S56-F101 WeakPolarHBondContact O-CE1 3.33Å; N97-F101 PolarHBondContact O-N 3.03Å; M98-F101 WeakPolarHBondContact O-CB 3.41Å; M98-F101 PolarHBondContact O-N 3.24Å; M98-F101 HydrophobicContact SD-CD1 3.84Å; V99-F101 VanDerWaalsContact C-N 3.33Å; V99-F101 PolarHBondContact O-N 3.19Å; F101-Q103 VanDerWaalsContact C-N 3.34Å; F101-Q103 PolarHBondContact O-N 3.42Å; F101-V104 PolarHBondContact O-N 3.37Å; F101-E105 HydrophobicContact CD2-CG 3.88Å; F101-E105 HydrophobicContact CE2-CG 3.4Å; F101-E105 VanDerWaalsContact CE2-CG 3.4Å; F101-E105 HydrophobicContact CZ-CG 3.84Å; F101-E105 PolarHBondContact O-N 2.92Å
102L98.3Very high96.7Very high1 Ų153.2 Ų53.21%0.00527%0.272CS..Hα-helixtrans-60.6-41.9177.6-68.8174.4000112.2V7 V57 V61 M98 V99 V104 E105 G106 V129 A132 V133V7-L102 HydrophobicContact CG1-CD2 4.22Å; V7-L102 HydrophobicContact CG2-CD2 4.45Å; V57-L102 HydrophobicContact CG1-CD1 3.96Å; V57-L102 HydrophobicContact CG1-CD2 4.07Å; V57-L102 HydrophobicContact CG1-CG 4.4Å; V61-L102 HydrophobicContact CG2-CD1 4.37Å; M98-L102 HydrophobicContact CG-CD1 4.47Å; M98-L102 WeakPolarHBondContact O-CG 3.43Å; M98-L102 PolarHBondContact O-N 2.65Å; V99-L102 PolarHBondContact O-N 3.34Å; L102-V104 PolarHBondContact O-N 2.94Å; L102-E105 PolarHBondContact O-N 2.95Å; L102-G106 WeakPolarHBondContact O-CA 3.37Å; L102-G106 PolarHBondContact O-N 3.44Å; L102-V129 HydrophobicContact CD1-CG2 4.18Å; L102-A132 HydrophobicContact CB-CB 4.12Å; L102-A132 HydrophobicContact CD1-CB 4.05Å; L102-V133 HydrophobicContact CB-CG2 3.92Å
103Q98.2Very high96.9Very high79 Ų7951 Ų5137%0.36926%0.255SS..Hα-helixtrans-62.9-40.1176.9-75.4172.4-7.500112.7V99 K100 F101 R107 A132 V136V99-Q103 HydrophobicContact CG1-CG 4.47Å; V99-Q103 WeakPolarHBondContact O-CB 3.47Å; V99-Q103 VanDerWaalsContact O-CG 3.3Å; V99-Q103 WeakPolarHBondContact O-CG 3.38Å; V99-Q103 PolarHBondContact O-N 2.89Å; K100-Q103 PolarHBondContact O-N 3.34Å; F101-Q103 VanDerWaalsContact C-N 3.34Å; F101-Q103 PolarHBondContact O-N 3.42Å; Q103-R107 WeakPolarHBondContact O-CB 3.46Å; Q103-R107 PolarHBondContact O-N 3.43Å; Q103-R107 VanDerWaalsContact O-N 3.13Å; Q103-A132 VanDerWaalsContact CG-O 3.25Å; Q103-A132 WeakPolarHBondContact CG-O 3.49Å; Q103-V136 HydrophobicContact CB-CG1 4.4Å; Q103-V136 HydrophobicContact CG-CG1 4.29Å
104V97.9Very high97Very high72 Ų7247.5 Ų47.544%0.43624%0.235SC..Hα-helixtrans-67.2-48.2177.4167.20000110.5L32 K100 F101 L102L32-V104 HydrophobicContact CD2-CB 3.87Å; L32-V104 HydrophobicContact CD2-CG1 4.15Å; L32-V104 HydrophobicContact CD2-CG2 3.77Å; K100-V104 WeakPolarHBondContact O-CG2 3.21Å; K100-V104 PolarHBondContact O-N 3.34Å; F101-V104 PolarHBondContact O-N 3.37Å; L102-V104 PolarHBondContact O-N 2.94Å
105E97.6Very high97.2Very high19 Ų1943.3 Ų43.39%0.08921%0.209CC..Hα-helixtrans-75.8-29.2-175.4-60.2-53153.200113.4L5 V38 K53 F101 L102L5-E105 HydrophobicContact CD1-CB 4.48Å; V38-E105 HydrophobicContact CG2-CG 3.95Å; K53-E105 WeakPolarHBondContact CE-OE2 3.4Å; K53-E105 PolarHBondContact NZ-O 2.8Å; K53-E105 IonicContact NZ-OE2 2.72Å; K53-E105 PolarHBondContact NZ-OE2 3.12Å; F101-E105 HydrophobicContact CD2-CG 3.88Å; F101-E105 HydrophobicContact CE2-CG 3.4Å; F101-E105 VanDerWaalsContact CE2-CG 3.4Å; F101-E105 HydrophobicContact CZ-CG 3.84Å; F101-E105 PolarHBondContact O-N 2.92Å; L102-E105 PolarHBondContact O-N 2.95Å
106G97Very high97.4Very high0 Ų034.4 Ų34.40%017%0.17CC..Hα-helixtrans-83.9-15.5177.300000114.8L102 G108 C109L102-G106 WeakPolarHBondContact O-CA 3.37Å; L102-G106 PolarHBondContact O-N 3.44Å; G106-G108 PolarHBondContact O-N 3.34Å; G106-C109 WeakPolarHBondContact O-CB 3.4Å; G106-C109 PolarHBondContact O-N 2.81Å; G106-C109 VanDerWaalsContact O-N 3.11Å
107R97.1Very high97.5Very high191 Ų19132.8 Ų32.872%0.72116%0.161SC*.THydrogen-bonded Turntrans-57.9125.3175.9176.5179.4-89.9-135.9-2.5110.7Q103 C109 V136Q103-R107 WeakPolarHBondContact O-CB 3.46Å; Q103-R107 PolarHBondContact O-N 3.43Å; Q103-R107 VanDerWaalsContact O-N 3.13Å; R107-C109 VanDerWaalsContact C-N 3.28Å; R107-C109 PolarHBondContact O-N 2.98Å; R107-V136 WeakPolarHBondContact CA-O 3.46Å
108G92.5Very high97.4Very high31 Ų3130.1 Ų30.132%0.3215%0.149SC..THydrogen-bonded Turntrans76.89.4177.800000115G106 V136 N138G106-G108 PolarHBondContact O-N 3.34Å; G108-V136 PolarHBondContact N-O 2.82Å; G108-N138 PolarHBondContact O-ND2 3.05Å; G108-N138 VanDerWaalsContact O-ND2 3.15Å
109C97.3Very high97.3Very high2 Ų230.8 Ų30.81%0.01415%0.153CC..  trans-80.4146.6168.3-64.70000110.7L5 G106 R107 N138L5-C109 HydrophobicContact CB-CB 4.08Å; G106-C109 WeakPolarHBondContact O-CB 3.4Å; G106-C109 PolarHBondContact O-N 2.81Å; G106-C109 VanDerWaalsContact O-N 3.11Å; R107-C109 VanDerWaalsContact C-N 3.28Å; R107-C109 PolarHBondContact O-N 2.98Å; C109-N138 PolarHBondContact O-N 3.21Å
110D96Very high97.1Very high34 Ų3430.9 Ų30.918%0.18215%0.151CC..SBendtrans-96.9-33.7-176.7-54.9-76000112.2K2 T3 M137 N138K2-D110 WeakPolarHBondContact CA-OD2 3.37Å; K2-D110 HydrophobicContact CB-CB 4.15Å; K2-D110 WeakPolarHBondContact CB-OD2 3.45Å; K2-D110 HydrophobicContact CD-CB 4.49Å; K2-D110 HydrophobicContact CG-CB 4.29Å; T3-D110 PolarHBondContact N-OD2 2.81Å; T3-D110 PolarHBondContact O-N 3.08Å; D110-M137 WeakPolarHBondContact O-CE 3.31Å; D110-N138 PolarHBondContact OD1-ND2 2.73Å
111Y97.6Very high97Very high17 Ų1726.9 Ų26.97%0.06713%0.134CC..EExtended strand (participates in β ladder)trans-130.3154.7178.6-54.5-48.9000111K2 T3 V4 L5 F45 M137 T146K2-Y111 HydrophobicContact CD-CE2 3.81Å; K2-Y111 PolarHBondContact NZ-OH 3.25Å; T3-Y111 PolarHBondContact O-N 3.46Å; V4-Y111 HydrophobicContact CG2-CD2 3.83Å; L5-Y111 PolarHBondContact N-O 3.01Å; F45-Y111 AromaticContact CD1-CD2 3.66Å; F45-Y111 HydrophobicContact CD1-CD2 3.66Å; F45-Y111 AromaticContact CD1-CE2 3.88Å; F45-Y111 HydrophobicContact CD1-CE2 3.88Å; F45-Y111 HydrophobicContact CD1-CG 4.5Å; F45-Y111 AromaticContact CE1-CD2 3.76Å; F45-Y111 HydrophobicContact CE1-CD2 3.76Å; F45-Y111 HydrophobicContact CE1-CE2 4.16Å; F45-Y111 HydrophobicContact CE1-CG 4.16Å; Y111-M137 VanDerWaalsContact C-CE 3.45Å; Y111-T146 WeakPolarHBondContact CA-O 3.44Å; Y111-T146 HydrophobicContact CD1-CG2 4.01Å; Y111-T146 HydrophobicContact CE1-CG2 4.21Å
112I98.3Very high96.9Very high0 Ų026.9 Ų26.90%013%0.134CC..EExtended strand (participates in β ladder)trans-126.5132.3170.4-173.5175.2000110.7L5 L114 V129 L130 V133 M137 T146 V147 F148L5-I112 HydrophobicContact CD2-CD1 4.26Å; L5-I112 HydrophobicContact CD2-CG1 4.43Å; L5-I112 CarbonylContact O-C 3.53Å; L5-I112 VanDerWaalsContact O-CA 3.28Å; L5-I112 WeakPolarHBondContact O-CA 3.04Å; I112-L114 HydrophobicContact CD1-CD2 4.08Å; I112-L114 HydrophobicContact CG1-CD2 4.42Å; I112-V129 HydrophobicContact CD1-CG1 3.95Å; I112-L130 HydrophobicContact CD1-CD2 4.14Å; I112-L130 HydrophobicContact CG2-CD2 3.92Å; I112-V133 HydrophobicContact CD1-CB 4.23Å; I112-V133 HydrophobicContact CD1-CG1 4.07Å; I112-V133 HydrophobicContact CD1-CG2 4.46Å; I112-M137 HydrophobicContact CB-CE 4.2Å; I112-M137 HydrophobicContact CB-SD 4.22Å; I112-M137 HydrophobicContact CG2-CE 4.21Å; I112-M137 HydrophobicContact CG2-SD 4.04Å; I112-T146 PolarHBondContact N-O 3.16Å; I112-V147 HydrophobicContact CG2-CB 4.16Å; I112-V147 HydrophobicContact CG2-CG1 4.17Å; I112-V147 HydrophobicContact CG2-CG2 3.78Å; I112-F148 PolarHBondContact O-N 3.13Å
113V98.7Very high96.8Very high0 Ų027 Ų270%014%0.135CC..EExtended strand (participates in β ladder)trans-118.8122.6172.3-169.60000109.7V4 L5 M6 V7 F45 F148 A150 L167V4-V113 HydrophobicContact CG1-CG2 3.7Å; L5-V113 PolarHBondContact O-N 2.78Å; M6-V113 VanDerWaalsContact CA-O 3.27Å; M6-V113 WeakPolarHBondContact CA-O 3.28Å; M6-V113 HydrophobicContact CG-CB 4.03Å; M6-V113 HydrophobicContact CG-CG2 4.39Å; V7-V113 PolarHBondContact N-O 2.83Å; V7-V113 VanDerWaalsContact N-O 3.14Å; F45-V113 HydrophobicContact CE2-CG2 3.91Å; F45-V113 HydrophobicContact CZ-CG2 4.17Å; V113-F148 CarbonylContact C-O 3.51Å; V113-F148 WeakPolarHBondContact CA-O 3.43Å; V113-F148 HydrophobicContact CB-CB 4.49Å; V113-F148 HydrophobicContact CG1-CB 4.25Å; V113-F148 HydrophobicContact CG2-CB 4.18Å; V113-A150 HydrophobicContact CG1-CB 4.37Å; V113-L167 HydrophobicContact CG1-CD1 4.17Å; V113-L167 HydrophobicContact CG1-CD2 3.66Å; V113-L167 HydrophobicContact CG2-CD1 4.34Å
114L98.8Very high96.8Very high0 Ų023.3 Ų23.30%012%0.117CC..EExtended strand (participates in β ladder)trans-90.1120.6-176.9-60.2161.9000110.1I112 L116 C126 V129 L130 V147 F148 R149 A150 P170I112-L114 HydrophobicContact CD1-CD2 4.08Å; I112-L114 HydrophobicContact CG1-CD2 4.42Å; L114-L116 HydrophobicContact CB-CD1 3.98Å; L114-L116 HydrophobicContact CD2-CD1 3.88Å; L114-C126 HydrophobicContact CD1-CB 3.76Å; L114-C126 HydrophobicContact CD2-CB 4.34Å; L114-C126 HydrophobicContact CG-CB 4.48Å; L114-V129 HydrophobicContact CD2-CB 4.37Å; L114-V129 HydrophobicContact CD2-CG1 4.09Å; L114-L130 HydrophobicContact CD1-CD1 4.09Å; L114-L130 HydrophobicContact CD1-CD2 4.41Å; L114-L130 HydrophobicContact CD1-CG 4.27Å; L114-L130 HydrophobicContact CD2-CG 4.5Å; L114-V147 HydrophobicContact CD1-CG1 4.27Å; L114-F148 PolarHBondContact N-O 2.88Å; L114-R149 PolarHBondContact O-NH1 2.77Å; L114-A150 PolarHBondContact O-N 2.63Å; L114-P170 HydrophobicContact CD1-CB 3.93Å; L114-P170 HydrophobicContact CD1-CG 4.04Å
115W98.5Very high96.8Very high0 Ų020 Ų200%010%0.097CC..EExtended strand (participates in β ladder)trans-119.329.3-177.7-73.992.3000111.9V7 A8 I17 L21 M54 A150 F152 I160 A163 M164V7-W115 CarbonylContact O-C 3.59Å; V7-W115 WeakPolarHBondContact O-CA 3.4Å; V7-W115 PolarHBondContact O-N 2.9Å; A8-W115 WeakPolarHBondContact CA-O 3.38Å; A8-W115 HydrophobicContact CB-CB 4.18Å; I17-W115 HydrophobicContact CD1-CB 4.19Å; I17-W115 HydrophobicContact CD1-CD2 4.45Å; I17-W115 HydrophobicContact CD1-CE3 3.98Å; I17-W115 HydrophobicContact CG2-CD2 3.97Å; I17-W115 HydrophobicContact CG2-CE3 3.88Å; I17-W115 HydrophobicContact CG2-CH2 4.44Å; I17-W115 HydrophobicContact CG2-CZ3 4.14Å; L21-W115 HydrophobicContact CD1-CH2 4.19Å; L21-W115 HydrophobicContact CD1-CZ2 3.74Å; M54-W115 HydrophobicContact CE-CB 4.41Å; M54-W115 HydrophobicContact CE-CD2 4.38Å; M54-W115 HydrophobicContact CE-CG 3.91Å; W115-A150 HydrophobicContact CD2-CB 3.58Å; W115-A150 HydrophobicContact CE3-CB 3.57Å; W115-A150 HydrophobicContact CG-CB 4.25Å; W115-A150 HydrophobicContact CH2-CB 3.81Å; W115-A150 HydrophobicContact CZ2-CB 3.81Å; W115-A150 HydrophobicContact CZ3-CB 3.68Å; W115-F152 AromaticContact CE3-CD1 3.92Å; W115-F152 HydrophobicContact CE3-CD1 3.92Å; W115-F152 AromaticContact CE3-CE1 3.86Å; W115-F152 HydrophobicContact CE3-CE1 3.86Å; W115-F152 HydrophobicContact CZ3-CD1 4.14Å; W115-I160 HydrophobicContact CE3-CD1 4.33Å; W115-I160 HydrophobicContact CH2-CG2 3.93Å; W115-I160 WeakPolarHBondContact CH2-O 3.07Å; W115-I160 HydrophobicContact CZ3-CD1 3.78Å; W115-I160 HydrophobicContact CZ3-CG2 3.93Å; W115-A163 HydrophobicContact CH2-CB 3.93Å; W115-A163 HydrophobicContact CZ3-CB 3.91Å; W115-M164 HydrophobicContact CH2-CB 4.19Å; W115-M164 HydrophobicContact CZ2-CB 4.17Å; W115-M164 HydrophobicContact CZ2-SD 3.84Å
116L98.3Very high96.9Very high0 Ų019 Ų190%09%0.093CC..SBendtrans-70.6163.4175.7-64.594.5000110.3V7 E9 V57 L114 I125 V129 R149 F152V7-L116 WeakPolarHBondContact O-CD1 3.22Å; E9-L116 HydrophobicContact CB-CB 4.37Å; E9-L116 HydrophobicContact CB-CG 4.48Å; V57-L116 HydrophobicContact CG2-CD2 4.38Å; L114-L116 HydrophobicContact CB-CD1 3.98Å; L114-L116 HydrophobicContact CD2-CD1 3.88Å; L116-I125 HydrophobicContact CD2-CB 3.41Å; L116-I125 VanDerWaalsContact CD2-CB 3.41Å; L116-I125 HydrophobicContact CD2-CG2 3.2Å; L116-V129 HydrophobicContact CD2-CG2 4.45Å; L116-R149 PolarHBondContact O-NH1 2.57Å; L116-R149 PolarHBondContact O-NH2 2.74Å; L116-F152 WeakPolarHBondContact O-CE1 3.41Å; L116-F152 WeakPolarHBondContact O-CZ 3.41Å
117D96.8Very high97Very high2 Ų221.6 Ų21.61%0.01110%0.104CC..  trans-60.9149.6178.9-66.8-14.9000109.2E9 L13 D119 G122 R149 Y329 Y336E9-D117 WeakPolarHBondContact OE2-CB 3.41Å; E9-D117 PolarHBondContact OE2-N 3.05Å; L13-D117 WeakPolarHBondContact CD1-OD1 3.38Å; D117-D119 VanDerWaalsContact C-N 3.29Å; D117-D119 PolarHBondContact O-N 3.21Å; D117-G122 WeakPolarHBondContact O-CA 3.41Å; D117-R149 PolarHBondContact O-NH2 3.02Å; D117-Y329 PolarHBondContact OD1-OH 3.15Å; D117-Y336 HydrophobicContact CB-CE2 3.67Å
118C96Very high97Very high25 Ų2512.8 Ų12.817%0.1697%0.071CC..SBendtrans-94.744.5-169.5-57.30000112.9F152 H387C118-F152 PolarHBondContact SG-N 3.16Å; C118-F152 VanDerWaalsContact SG-N 3.37Å; C118-F152 PolarHBondContact SG-O 3.26Å; C118-H387 PolarHBondContact O-NE2 3.25Å
119D94.6Very high97.3Very high23 Ų2311.3 Ų11.312%0.1236%0.056CC..SBendtrans-107.1174.7164.869.91.5000111.4D117 E121 G122 E123 Y336 R338D117-D119 VanDerWaalsContact C-N 3.29Å; D117-D119 PolarHBondContact O-N 3.21Å; D119-E121 PolarHBondContact O-N 3.22Å; D119-E121 PolarHBondContact OD1-N 3.29Å; D119-G122 PolarHBondContact O-N 3.4Å; D119-G122 VanDerWaalsContact O-N 3.14Å; D119-G122 PolarHBondContact OD1-N 3.09Å; D119-E123 PolarHBondContact O-N 3.47Å; D119-Y336 HydrophobicContact CB-CE1 3.94Å; D119-Y336 PolarHBondContact OD2-OH 3.35Å; D119-R338 IonicContact OD2-CZ 2.78Å; D119-R338 IonicContact OD2-NH1 3.26Å; D119-R338 PolarHBondContact OD2-NH1 2.93Å
120K94Very high97.4Very high26 Ų2611.7 Ų11.711%0.1136%0.057CC..Hα-helixtrans-58.7-35.6179.5-67.6173.2177.91580112.5E123 N124 E174 V178 D511 N569K120-E123 PolarHBondContact O-N 3.43Å; K120-N124 PolarHBondContact O-N 3.12Å; K120-E174 HydrophobicContact CG-CB 4.35Å; K120-V178 HydrophobicContact CB-CG2 3.8Å; K120-V178 WeakPolarHBondContact O-CG2 3.3Å; K120-D511 WeakPolarHBondContact CD-OD2 3.35Å; K120-D511 IonicContact NZ-OD1 3.39Å; K120-D511 PolarHBondContact NZ-OD1 3.42Å; K120-D511 IonicContact NZ-OD2 3.36Å; K120-D511 PolarHBondContact NZ-OD2 2.71Å; K120-N569 PolarHBondContact NZ-OD1 3.35Å
121E94.6Very high97.4Very high43 Ų4315.7 Ų15.720%0.2018%0.079CC..Hα-helixtrans-66.3-44.7176.5-59.6-67.1132.700110.2H60 D119 E123 N124 I125 R181H60-E121 IonicContact CE1-OE2 3.97Å; H60-E121 IonicContact NE2-OE2 3.34Å; H60-E121 PolarHBondContact NE2-OE2 3.01Å; D119-E121 PolarHBondContact O-N 3.22Å; D119-E121 PolarHBondContact OD1-N 3.29Å; E121-E123 VanDerWaalsContact C-N 3.35Å; E121-E123 PolarHBondContact O-N 3.47Å; E121-N124 WeakPolarHBondContact O-CB 3.42Å; E121-N124 PolarHBondContact O-N 3.3Å; E121-N124 VanDerWaalsContact O-N 3.09Å; E121-I125 VanDerWaalsContact O-CG1 3.27Å; E121-I125 WeakPolarHBondContact O-CG1 3.34Å; E121-I125 PolarHBondContact O-N 3.2Å; E121-R181 VanDerWaalsContact CD-NH2 3.35Å; E121-R181 IonicContact OE1-CZ 2.85Å; E121-R181 IonicContact OE1-NE 3.29Å; E121-R181 IonicContact OE1-NH2 2.66Å; E121-R181 PolarHBondContact OE1-NH2 3.05Å; E121-R181 IonicContact OE2-NH2 2.76Å; E121-R181 PolarHBondContact OE2-NH2 3.28Å
122G96.2Very high97.4Very high0 Ų015 Ų150%08%0.076CC..Hα-helixtrans-61.5-37.7174.400000113.6D117 D119 I125 C126D117-G122 WeakPolarHBondContact O-CA 3.41Å; D119-G122 PolarHBondContact O-N 3.4Å; D119-G122 VanDerWaalsContact O-N 3.14Å; D119-G122 PolarHBondContact OD1-N 3.09Å; G122-I125 PolarHBondContact O-N 2.96Å; G122-C126 PolarHBondContact O-N 3Å; G122-C126 PolarHBondContact O-SG 3.34Å
123E97.3Very high97.4Very high4 Ų415 Ų152%0.0198%0.076CC..Hα-helixtrans-63.9-40.5170.2-68.6-57.8132.500111.8D119 K120 E121 I125 C126 F127 R149 P170 D171 E174D119-E123 PolarHBondContact O-N 3.47Å; K120-E123 PolarHBondContact O-N 3.43Å; E121-E123 VanDerWaalsContact C-N 3.35Å; E121-E123 PolarHBondContact O-N 3.47Å; E123-I125 PolarHBondContact O-N 3.15Å; E123-C126 WeakPolarHBondContact O-CB 3.34Å; E123-C126 PolarHBondContact O-N 3.45Å; E123-F127 VanDerWaalsContact O-CD2 3.26Å; E123-F127 WeakPolarHBondContact O-CD2 3.34Å; E123-R149 IonicContact OE1-CZ 2.71Å; E123-R149 VanDerWaalsContact OE1-CZ 3.25Å; E123-R149 IonicContact OE1-NE 3.75Å; E123-R149 PolarHBondContact OE1-NE 3.25Å; E123-R149 IonicContact OE1-NH2 2.63Å; E123-R149 PolarHBondContact OE1-NH2 2.98Å; E123-R149 IonicContact OE2-NE 3.22Å; E123-P170 WeakPolarHBondContact OE2-CA 3.25Å; E123-D171 PolarHBondContact OE2-N 3.45Å; E123-E174 HydrophobicContact CB-CB 4.34Å; E123-E174 HydrophobicContact CG-CB 4.49Å
124N98.3Very high97.3Very high0 Ų018.9 Ų18.90%010%0.097CC..Hα-helixtrans-61.1-44174.5-173.6-103.1000111.9H60 K120 E121 C126 F127 E128 A175 V178 D179H60-N124 PolarHBondContact CE1-OD1 2.85Å; K120-N124 PolarHBondContact O-N 3.12Å; E121-N124 WeakPolarHBondContact O-CB 3.42Å; E121-N124 PolarHBondContact O-N 3.3Å; E121-N124 VanDerWaalsContact O-N 3.09Å; N124-C126 VanDerWaalsContact C-N 3.26Å; N124-C126 PolarHBondContact O-N 3.35Å; N124-F127 PolarHBondContact O-N 3.47Å; N124-F127 VanDerWaalsContact O-N 3.15Å; N124-E128 PolarHBondContact O-N 2.99Å; N124-A175 HydrophobicContact CB-CB 4.48Å; N124-A175 PolarHBondContact ND2-O 2.93Å; N124-V178 HydrophobicContact CB-CB 3.81Å; N124-V178 HydrophobicContact CB-CG1 3.78Å; N124-V178 HydrophobicContact CB-CG2 4.15Å; N124-D179 PolarHBondContact ND2-OD1 3.38Å
125I98.2Very high97.2Very high2 Ų223.7 Ų23.71%0.0113%0.128CC..Hα-helixtrans-66.3-29.7177.3-54.2163.2000111E9 V57 H60 V61 L116 E121 G122 E123 F127 E128 V129E9-I125 HydrophobicContact CG-CD1 4.22Å; V57-I125 HydrophobicContact CG2-CG2 4.02Å; H60-I125 WeakPolarHBondContact ND1-CG1 3.42Å; V61-I125 HydrophobicContact CG2-CG2 4.35Å; L116-I125 HydrophobicContact CD2-CB 3.41Å; L116-I125 VanDerWaalsContact CD2-CB 3.41Å; L116-I125 HydrophobicContact CD2-CG2 3.2Å; E121-I125 VanDerWaalsContact O-CG1 3.27Å; E121-I125 WeakPolarHBondContact O-CG1 3.34Å; E121-I125 PolarHBondContact O-N 3.2Å; G122-I125 PolarHBondContact O-N 2.96Å; E123-I125 PolarHBondContact O-N 3.15Å; I125-F127 VanDerWaalsContact C-N 3.25Å; I125-F127 PolarHBondContact O-N 2.99Å; I125-E128 WeakPolarHBondContact O-CB 3.45Å; I125-E128 PolarHBondContact O-N 2.77Å; I125-E128 VanDerWaalsContact O-N 3.14Å; I125-V129 HydrophobicContact CG2-CG2 4.4Å; I125-V129 WeakPolarHBondContact O-CG2 3.09Å; I125-V129 PolarHBondContact O-N 2.63Å
126C98.6Very high97.1Very high0 Ų025.4 Ų25.40%014%0.139CC..Hα-helixtrans-53.5-45.5172.2-71.30000111.2L114 G122 E123 N124 V129 L130 P170L114-C126 HydrophobicContact CD1-CB 3.76Å; L114-C126 HydrophobicContact CD2-CB 4.34Å; L114-C126 HydrophobicContact CG-CB 4.48Å; G122-C126 PolarHBondContact O-N 3Å; G122-C126 PolarHBondContact O-SG 3.34Å; E123-C126 WeakPolarHBondContact O-CB 3.34Å; E123-C126 PolarHBondContact O-N 3.45Å; N124-C126 VanDerWaalsContact C-N 3.26Å; N124-C126 PolarHBondContact O-N 3.35Å; C126-V129 PolarHBondContact O-N 3.28Å; C126-L130 VanDerWaalsContact O-CG 3.24Å; C126-L130 WeakPolarHBondContact O-CG 3.34Å; C126-L130 PolarHBondContact O-N 3.1Å; C126-P170 HydrophobicContact CB-CB 4.32Å
127F98.5Very high97Very high53 Ų5326.5 Ų26.523%0.23214%0.144CC..Hα-helixtrans-73.9-29179.5-69.4-85000113.1E123 N124 I125 L130 D131 P170 D171 H172 A175E123-F127 VanDerWaalsContact O-CD2 3.26Å; E123-F127 WeakPolarHBondContact O-CD2 3.34Å; N124-F127 PolarHBondContact O-N 3.47Å; N124-F127 VanDerWaalsContact O-N 3.15Å; I125-F127 VanDerWaalsContact C-N 3.25Å; I125-F127 PolarHBondContact O-N 2.99Å; F127-L130 HydrophobicContact CD1-CD1 4.08Å; F127-L130 HydrophobicContact CE1-CD1 4.26Å; F127-L130 PolarHBondContact O-N 3.4Å; F127-D131 WeakPolarHBondContact O-CB 3.17Å; F127-D131 PolarHBondContact O-N 3.28Å; F127-P170 HydrophobicContact CE1-CG 4.44Å; F127-P170 HydrophobicContact CE2-CB 3.93Å; F127-P170 HydrophobicContact CZ-CB 3.81Å; F127-P170 HydrophobicContact CZ-CG 3.99Å; F127-D171 WeakPolarHBondContact CE2-O 2.96Å; F127-H172 AromaticContact CD1-CD2 3.81Å; F127-H172 HydrophobicContact CE1-CB 4.01Å; F127-H172 AromaticContact CE1-CD2 3.58Å; F127-H172 HydrophobicContact CE2-CB 4.2Å; F127-H172 VanDerWaalsContact CZ-CA 3.42Å; F127-H172 HydrophobicContact CZ-CB 3.57Å; F127-H172 AromaticContact CZ-CD2 3.88Å; F127-A175 HydrophobicContact CD2-CB 3.35Å; F127-A175 HydrophobicContact CE2-CB 3.69Å; F127-A175 HydrophobicContact CG-CB 4.27Å
128E98.4Very high96.9Very high6 Ų630.1 Ų30.13%0.02816%0.163CC..Hα-helixtrans-63.2-41.6169.3-61.3178.7169.600111.7H60 V61 M62 N124 I125 A132H60-E128 IonicContact ND1-OE1 3.58Å; H60-E128 PolarHBondContact ND1-OE1 2.78Å; H60-E128 IonicContact ND1-OE2 2.84Å; V61-E128 WeakPolarHBondContact CA-OE2 3.48Å; V61-E128 HydrophobicContact CB-CB 4.16Å; V61-E128 WeakPolarHBondContact CB-OE2 3.36Å; V61-E128 HydrophobicContact CG2-CB 4.44Å; V61-E128 PolarHBondContact N-OE2 2.91Å; M62-E128 HydrophobicContact CB-CG 4.33Å; M62-E128 WeakPolarHBondContact CB-OE1 3.21Å; M62-E128 HydrophobicContact CG-CB 4.44Å; M62-E128 HydrophobicContact CG-CG 4.15Å; M62-E128 PolarHBondContact N-OE2 3.47Å; M62-E128 VanDerWaalsContact N-OE2 3.09Å; N124-E128 PolarHBondContact O-N 2.99Å; I125-E128 WeakPolarHBondContact O-CB 3.45Å; I125-E128 PolarHBondContact O-N 2.77Å; I125-E128 VanDerWaalsContact O-N 3.14Å; E128-A132 PolarHBondContact O-N 3.03Å
129V98.5Very high96.4Very high0 Ų037.6 Ų37.60%019%0.193CC..Hα-helixtrans-66.1-44.5175.5171.70000110.7V7 V57 L102 I112 L114 L116 I125 C126 A132 V133V7-V129 HydrophobicContact CB-CG1 4.09Å; V7-V129 HydrophobicContact CG1-CG1 4.05Å; V7-V129 HydrophobicContact CG1-CG2 4.05Å; V7-V129 HydrophobicContact CG2-CG1 3.95Å; V57-V129 HydrophobicContact CG1-CG2 3.84Å; L102-V129 HydrophobicContact CD1-CG2 4.18Å; I112-V129 HydrophobicContact CD1-CG1 3.95Å; L114-V129 HydrophobicContact CD2-CB 4.37Å; L114-V129 HydrophobicContact CD2-CG1 4.09Å; L116-V129 HydrophobicContact CD2-CG2 4.45Å; I125-V129 HydrophobicContact CG2-CG2 4.4Å; I125-V129 WeakPolarHBondContact O-CG2 3.09Å; I125-V129 PolarHBondContact O-N 2.63Å; C126-V129 PolarHBondContact O-N 3.28Å; V129-A132 PolarHBondContact O-N 3.5Å; V129-V133 HydrophobicContact CG1-CG2 4.17Å; V129-V133 WeakPolarHBondContact O-CB 3.27Å; V129-V133 VanDerWaalsContact O-CG2 3.29Å; V129-V133 WeakPolarHBondContact O-CG2 3.45Å; V129-V133 PolarHBondContact O-N 3.49Å
130L98.4Very high95.7Very high10 Ų1039 Ų395%0.05221%0.208CC..Hα-helixtrans-62.5-42.6179.2-72171.8000112.1I112 L114 C126 F127 A132 V133 L134 V147 P170I112-L130 HydrophobicContact CD1-CD2 4.14Å; I112-L130 HydrophobicContact CG2-CD2 3.92Å; L114-L130 HydrophobicContact CD1-CD1 4.09Å; L114-L130 HydrophobicContact CD1-CD2 4.41Å; L114-L130 HydrophobicContact CD1-CG 4.27Å; L114-L130 HydrophobicContact CD2-CG 4.5Å; C126-L130 VanDerWaalsContact O-CG 3.24Å; C126-L130 WeakPolarHBondContact O-CG 3.34Å; C126-L130 PolarHBondContact O-N 3.1Å; F127-L130 HydrophobicContact CD1-CD1 4.08Å; F127-L130 HydrophobicContact CE1-CD1 4.26Å; F127-L130 PolarHBondContact O-N 3.4Å; L130-A132 VanDerWaalsContact C-N 3.27Å; L130-A132 PolarHBondContact O-N 2.93Å; L130-V133 PolarHBondContact O-N 2.77Å; L130-L134 HydrophobicContact CB-CD1 3.93Å; L130-L134 HydrophobicContact CB-CG 4.21Å; L130-L134 HydrophobicContact CD2-CD1 4.26Å; L130-L134 HydrophobicContact CD2-CD2 4.22Å; L130-L134 HydrophobicContact CD2-CG 4.1Å; L130-L134 VanDerWaalsContact O-CB 3.26Å; L130-L134 WeakPolarHBondContact O-CB 3.38Å; L130-L134 VanDerWaalsContact O-CG 3.22Å; L130-L134 WeakPolarHBondContact O-CG 3.36Å; L130-L134 PolarHBondContact O-N 3.11Å; L130-V147 HydrophobicContact CD1-CG1 4.12Å; L130-V147 HydrophobicContact CD2-CB 4.48Å; L130-V147 HydrophobicContact CD2-CG1 3.66Å; L130-V147 HydrophobicContact CD2-CG2 3.95Å; L130-P170 HydrophobicContact CD1-CG 4.12Å
131D97.9Very high94.4Very high118 Ų11847.2 Ų47.263%0.63124%0.239SC*.Hα-helixtrans-57.9-40.3176.7-173.870000111.9F127 P135F127-D131 WeakPolarHBondContact O-CB 3.17Å; F127-D131 PolarHBondContact O-N 3.28Å; D131-P135 WeakPolarHBondContact O-CD 3.29Å; D131-P135 WeakPolarHBondContact O-CG 3.4Å
132A97.6Very high93Very high2 Ų249.2 Ų49.22%0.01727%0.271CS..Hα-helixtrans-73.1-36.4177.300000113.6V99 L102 Q103 E128 V129 L130V99-A132 HydrophobicContact CG1-CB 4.09Å; L102-A132 HydrophobicContact CB-CB 4.12Å; L102-A132 HydrophobicContact CD1-CB 4.05Å; Q103-A132 VanDerWaalsContact CG-O 3.25Å; Q103-A132 WeakPolarHBondContact CG-O 3.49Å; E128-A132 PolarHBondContact O-N 3.03Å; V129-A132 PolarHBondContact O-N 3.5Å; L130-A132 VanDerWaalsContact C-N 3.27Å; L130-A132 PolarHBondContact O-N 2.93Å
133V97.9Very high91.8Very high0 Ų053 Ų530%031%0.31CS..Hα-helixtrans-96-41.5-168.2176.90000113.4L5 L102 I112 V129 L130 P135 V136 M137L5-V133 HydrophobicContact CD2-CG1 3.76Å; L5-V133 HydrophobicContact CD2-CG2 4.05Å; L102-V133 HydrophobicContact CB-CG2 3.92Å; I112-V133 HydrophobicContact CD1-CB 4.23Å; I112-V133 HydrophobicContact CD1-CG1 4.07Å; I112-V133 HydrophobicContact CD1-CG2 4.46Å; V129-V133 HydrophobicContact CG1-CG2 4.17Å; V129-V133 WeakPolarHBondContact O-CB 3.27Å; V129-V133 VanDerWaalsContact O-CG2 3.29Å; V129-V133 WeakPolarHBondContact O-CG2 3.45Å; V129-V133 PolarHBondContact O-N 3.49Å; L130-V133 PolarHBondContact O-N 2.77Å; V133-P135 VanDerWaalsContact C-N 3.33Å; V133-V136 WeakPolarHBondContact O-CG2 3.48Å; V133-V136 PolarHBondContact O-N 3.15Å; V133-M137 HydrophobicContact CG1-CG 3.73Å; V133-M137 HydrophobicContact CG1-SD 3.9Å; V133-M137 WeakPolarHBondContact O-CG 3.43Å; V133-M137 PolarHBondContact O-N 2.92Å
134L96.1Very high91.1Very high82 Ų8257.8 Ų57.843%0.42933%0.333SS..G310 helixtrans-53.2-40.8-175.9-71.6174.8000113.8L130 V136 M137 V147L130-L134 HydrophobicContact CB-CD1 3.93Å; L130-L134 HydrophobicContact CB-CG 4.21Å; L130-L134 HydrophobicContact CD2-CD1 4.26Å; L130-L134 HydrophobicContact CD2-CD2 4.22Å; L130-L134 HydrophobicContact CD2-CG 4.1Å; L130-L134 VanDerWaalsContact O-CB 3.26Å; L130-L134 WeakPolarHBondContact O-CB 3.38Å; L130-L134 VanDerWaalsContact O-CG 3.22Å; L130-L134 WeakPolarHBondContact O-CG 3.36Å; L130-L134 PolarHBondContact O-N 3.11Å; L134-V136 PolarHBondContact O-N 3.35Å; L134-V136 VanDerWaalsContact O-N 3.17Å; L134-M137 HydrophobicContact CD2-SD 4.02Å; L134-M137 PolarHBondContact O-N 3.46Å; L134-V147 HydrophobicContact CD2-CG2 3.79Å
135P96.3Very high90.6Very high102 Ų10262 Ų6266%0.66235%0.351SS*.G310 helixtrans-65-18.1179.7-23.335.5000114.9D131 V133D131-P135 WeakPolarHBondContact O-CD 3.29Å; D131-P135 WeakPolarHBondContact O-CG 3.4Å; V133-P135 VanDerWaalsContact C-N 3.33Å
136V96.8Very high90.5Very high35 Ų3563.3 Ų63.321%0.21236%0.36CS..G310 helixtrans-111.4-4.2-174.9-60.10000114.1Q103 R107 G108 V133 L134Q103-V136 HydrophobicContact CB-CG1 4.4Å; Q103-V136 HydrophobicContact CG-CG1 4.29Å; R107-V136 WeakPolarHBondContact CA-O 3.46Å; G108-V136 PolarHBondContact N-O 2.82Å; V133-V136 WeakPolarHBondContact O-CG2 3.48Å; V133-V136 PolarHBondContact O-N 3.15Å; L134-V136 PolarHBondContact O-N 3.35Å; L134-V136 VanDerWaalsContact O-N 3.17Å
137M95.8Very high90.4Very high24 Ų2464.7 Ų64.712%0.11837%0.368CS..SBendtrans-68.8160.9176-73.5-178.571.800112.2D110 Y111 I112 V133 L134D110-M137 WeakPolarHBondContact O-CE 3.31Å; Y111-M137 VanDerWaalsContact C-CE 3.45Å; I112-M137 HydrophobicContact CB-CE 4.2Å; I112-M137 HydrophobicContact CB-SD 4.22Å; I112-M137 HydrophobicContact CG2-CE 4.21Å; I112-M137 HydrophobicContact CG2-SD 4.04Å; V133-M137 HydrophobicContact CG1-CG 3.73Å; V133-M137 HydrophobicContact CG1-SD 3.9Å; V133-M137 WeakPolarHBondContact O-CG 3.43Å; V133-M137 PolarHBondContact O-N 2.92Å; L134-M137 HydrophobicContact CD2-SD 4.02Å; L134-M137 PolarHBondContact O-N 3.46Å
138N94.1Very high90.4Very high77 Ų7763.7 Ų63.741%0.41236%0.364SS..PPolyproline II helixtrans-62.2141169.6-78.1-20.1000110.1G108 C109 D110 A140G108-N138 PolarHBondContact O-ND2 3.05Å; G108-N138 VanDerWaalsContact O-ND2 3.15Å; C109-N138 PolarHBondContact O-N 3.21Å; D110-N138 PolarHBondContact OD1-ND2 2.73Å; N138-A140 PolarHBondContact O-N 3.37Å
139K86.2Confident90.4Very high183 Ų18363.4 Ų63.480%0.79636%0.362SS*.PPolyproline II helixtrans-65122.5177.3-65.4-175.2-179.8-178.20109.6
140A79.3Confident90.4Very high52 Ų5263.4 Ų63.443%0.4336%0.362SS..PPolyproline II helixtrans-66.713217000000109.7N138 T146N138-A140 PolarHBondContact O-N 3.37Å; A140-T146 HydrophobicContact CB-CG2 3.69Å
141Y67.3Low90.3Very high198 Ų19869.6 Ų69.678%0.77639%0.385SS*.SBendtrans-94.1129.6169.7-71.9-88.4000108.4
142G65.8Low90.2Very high85 Ų8564.1 Ų64.188%0.87636%0.355SS*.THydrogen-bonded Turntrans85.517.1168.500000117.9E144G142-E144 VanDerWaalsContact C-N 3.29Å; G142-E144 PolarHBondContact O-N 2.92Å
143G70Confident90.1Very high79 Ų7965 Ų6581%0.81436%0.362SS*.THydrogen-bonded Turntrans72.720176.900000114.3
144E82.6Confident89.8Confident106 Ų10665.3 Ų65.350%0.49536%0.363SS..  trans-58.8140.9174.3-67.4-175.717000111.3K2 G142 T146K2-E144 IonicContact NZ-OE2 3.49Å; G142-E144 VanDerWaalsContact C-N 3.29Å; G142-E144 PolarHBondContact O-N 2.92Å; E144-T146 PolarHBondContact O-N 3.25Å
145K89.6Confident89.7Confident87 Ų8762 Ų6238%0.37835%0.346SS..  trans-69.4114.9174.4-178.4173.5174.8173.70109.7V147 F148 E169K145-V147 VanDerWaalsContact CE-O 3.23Å; K145-V147 WeakPolarHBondContact CE-O 3.1Å; K145-F148 HydrophobicContact CB-CZ 4.31Å; K145-F148 HydrophobicContact CD-CD1 4.42Å; K145-F148 HydrophobicContact CD-CE1 3.9Å; K145-F148 HydrophobicContact CD-CZ 4.31Å; K145-F148 HydrophobicContact CG-CE1 4.03Å; K145-F148 HydrophobicContact CG-CE2 4.49Å; K145-F148 HydrophobicContact CG-CZ 3.94Å; K145-F148 VanDerWaalsContact O-CE2 3.32Å; K145-F148 WeakPolarHBondContact O-CE2 3.45Å; K145-F148 VanDerWaalsContact O-CZ 3.27Å; K145-F148 WeakPolarHBondContact O-CZ 3.38Å; K145-E169 WeakPolarHBondContact CE-OE1 3.48Å; K145-E169 IonicContact NZ-OE1 3.87Å; K145-E169 PolarHBondContact NZ-OE1 3.34Å
146T94.8Very high89.4Confident31 Ų3158.3 Ų58.319%0.1932%0.322CS..  trans-108.6-11.7-177.954.50000114.8Y111 I112 A140 E144Y111-T146 WeakPolarHBondContact CA-O 3.44Å; Y111-T146 HydrophobicContact CD1-CG2 4.01Å; Y111-T146 HydrophobicContact CE1-CG2 4.21Å; I112-T146 PolarHBondContact N-O 3.16Å; A140-T146 HydrophobicContact CB-CG2 3.69Å; E144-T146 PolarHBondContact O-N 3.25Å
147V97.5Very high89.1Confident29 Ų2961.9 Ų61.918%0.17634%0.34CS..EExtended strand (participates in β ladder)trans-111.8131.1-179.3-179.20000109.8I112 L114 L130 L134 K145 P170I112-V147 HydrophobicContact CG2-CB 4.16Å; I112-V147 HydrophobicContact CG2-CG1 4.17Å; I112-V147 HydrophobicContact CG2-CG2 3.78Å; L114-V147 HydrophobicContact CD1-CG1 4.27Å; L130-V147 HydrophobicContact CD1-CG1 4.12Å; L130-V147 HydrophobicContact CD2-CB 4.48Å; L130-V147 HydrophobicContact CD2-CG1 3.66Å; L130-V147 HydrophobicContact CD2-CG2 3.95Å; L134-V147 HydrophobicContact CD2-CG2 3.79Å; K145-V147 VanDerWaalsContact CE-O 3.23Å; K145-V147 WeakPolarHBondContact CE-O 3.1Å; V147-P170 HydrophobicContact CG1-CG 4.21Å
148F98.3Very high88.8Confident32 Ų3265.5 Ų65.514%0.1436%0.363CS..EExtended strand (participates in β ladder)trans-135.6149.5-179.4-61.1-90.2000110.8F45 I112 V113 L114 K145 L167F45-F148 HydrophobicContact CE1-CD2 4.26Å; F45-F148 AromaticContact CE1-CE2 3.79Å; F45-F148 HydrophobicContact CE1-CE2 3.79Å; F45-F148 HydrophobicContact CE1-CZ 4.1Å; F45-F148 HydrophobicContact CZ-CD1 4.46Å; F45-F148 AromaticContact CZ-CD2 3.73Å; F45-F148 HydrophobicContact CZ-CD2 3.73Å; F45-F148 HydrophobicContact CZ-CE1 4.43Å; F45-F148 AromaticContact CZ-CE2 3.71Å; F45-F148 HydrophobicContact CZ-CE2 3.71Å; F45-F148 HydrophobicContact CZ-CG 4.13Å; F45-F148 HydrophobicContact CZ-CZ 4.07Å; I112-F148 PolarHBondContact O-N 3.13Å; V113-F148 CarbonylContact C-O 3.51Å; V113-F148 WeakPolarHBondContact CA-O 3.43Å; V113-F148 HydrophobicContact CB-CB 4.49Å; V113-F148 HydrophobicContact CG1-CB 4.25Å; V113-F148 HydrophobicContact CG2-CB 4.18Å; L114-F148 PolarHBondContact N-O 2.88Å; K145-F148 HydrophobicContact CB-CZ 4.31Å; K145-F148 HydrophobicContact CD-CD1 4.42Å; K145-F148 HydrophobicContact CD-CE1 3.9Å; K145-F148 HydrophobicContact CD-CZ 4.31Å; K145-F148 HydrophobicContact CG-CE1 4.03Å; K145-F148 HydrophobicContact CG-CE2 4.49Å; K145-F148 HydrophobicContact CG-CZ 3.94Å; K145-F148 VanDerWaalsContact O-CE2 3.32Å; K145-F148 WeakPolarHBondContact O-CE2 3.45Å; K145-F148 VanDerWaalsContact O-CZ 3.27Å; K145-F148 WeakPolarHBondContact O-CZ 3.38Å; F148-L167 HydrophobicContact CB-CB 4.19Å; F148-L167 HydrophobicContact CB-CD1 3.99Å; F148-L167 HydrophobicContact CD1-CB 4.04Å; F148-L167 HydrophobicContact CD1-CD1 4.22Å; F148-L167 HydrophobicContact CG-CD1 4.2Å
149R98.3Very high88.8Confident0 Ų063.7 Ų63.70%035%0.354CS..EExtended strand (participates in β ladder)trans-121.7120.5176.217557.8173.2145.4-13.7110.4L114 L116 D117 E123 G168 E169 P170L114-R149 PolarHBondContact O-NH1 2.77Å; L116-R149 PolarHBondContact O-NH1 2.57Å; L116-R149 PolarHBondContact O-NH2 2.74Å; D117-R149 PolarHBondContact O-NH2 3.02Å; E123-R149 IonicContact OE1-CZ 2.71Å; E123-R149 VanDerWaalsContact OE1-CZ 3.25Å; E123-R149 IonicContact OE1-NE 3.75Å; E123-R149 PolarHBondContact OE1-NE 3.25Å; E123-R149 IonicContact OE1-NH2 2.63Å; E123-R149 PolarHBondContact OE1-NH2 2.98Å; E123-R149 IonicContact OE2-NE 3.22Å; R149-G168 PolarHBondContact N-O 3.31Å; R149-G168 PolarHBondContact O-N 2.69Å; R149-E169 VanDerWaalsContact CB-C 3.42Å; R149-P170 HydrophobicContact CB-CB 4.43Å
150A98.1Very high89.2Confident0 Ų055 Ų550%032%0.316CS..  trans-83.2131.9170.500000109.5V113 L114 W115 A163 L167V113-A150 HydrophobicContact CG1-CB 4.37Å; L114-A150 PolarHBondContact O-N 2.63Å; W115-A150 HydrophobicContact CD2-CB 3.58Å; W115-A150 HydrophobicContact CE3-CB 3.57Å; W115-A150 HydrophobicContact CG-CB 4.25Å; W115-A150 HydrophobicContact CH2-CB 3.81Å; W115-A150 HydrophobicContact CZ2-CB 3.81Å; W115-A150 HydrophobicContact CZ3-CB 3.68Å; A150-A163 HydrophobicContact CB-CB 4.27Å; A150-L167 HydrophobicContact CB-CD2 3.75Å
151R96.6Very high90Very high139 Ų13955.3 Ų55.353%0.52531%0.314SS..  trans-111.4125.9173.6-70.9-168177.5-167.9-1.8110.3A163R151-A163 WeakPolarHBondContact O-CB 3.31Å
152F95.4Very high91.3Very high3 Ų350.4 Ų50.41%0.01330%0.301CS..  trans-151.1157.1-176.259.4-79.4000110I17 W115 L116 C118 I155 I160 A163 Y329I17-F152 HydrophobicContact CD1-CZ 4.4Å; W115-F152 AromaticContact CE3-CD1 3.92Å; W115-F152 HydrophobicContact CE3-CD1 3.92Å; W115-F152 AromaticContact CE3-CE1 3.86Å; W115-F152 HydrophobicContact CE3-CE1 3.86Å; W115-F152 HydrophobicContact CZ3-CD1 4.14Å; L116-F152 WeakPolarHBondContact O-CE1 3.41Å; L116-F152 WeakPolarHBondContact O-CZ 3.41Å; C118-F152 PolarHBondContact SG-N 3.16Å; C118-F152 VanDerWaalsContact SG-N 3.37Å; C118-F152 PolarHBondContact SG-O 3.26Å; F152-I155 HydrophobicContact CD2-CD1 3.92Å; F152-I155 HydrophobicContact CE2-CD1 3.54Å; F152-I160 HydrophobicContact CB-CD1 4.19Å; F152-I160 HydrophobicContact CD2-CD1 3.89Å; F152-I160 HydrophobicContact CE2-CD1 4.45Å; F152-I160 HydrophobicContact CG-CD1 3.99Å; F152-A163 HydrophobicContact CB-CB 4.18Å; F152-Y329 WeakPolarHBondContact CE2-OH 3.46Å
153S94.7Very high92.8Very high22 Ų2246.6 Ų46.615%0.15426%0.262CS..SBendtrans-121.8-5.8-179.9-63.10000113.4D159 S335 Y336 H387 P388S153-D159 WeakPolarHBondContact CA-OD2 3.41Å; S153-D159 PolarHBondContact N-OD2 2.89Å; S153-S335 CarbonylContact O-C 3.51Å; S153-S335 WeakPolarHBondContact O-CA 3.26Å; S153-Y336 PolarHBondContact O-N 2.93Å; S153-H387 PolarHBondContact OG-ND1 3.41Å; S153-P388 VanDerWaalsContact CB-CD 3.5Å; S153-P388 VanDerWaalsContact OG-CD 3.23Å; S153-P388 WeakPolarHBondContact OG-CD 3.42Å
154S92.7Very high94.1Very high5 Ų544.7 Ų44.74%0.03523%0.232CC..SBendtrans-154152.4-178.967.30000111.5T156 D159S154-T156 VanDerWaalsContact C-N 3.29Å; S154-T156 PolarHBondContact O-N 3.49Å; S154-T156 PolarHBondContact OG-OG1 3.47Å; S154-T156 VanDerWaalsContact OG-OG1 3.12Å; S154-D159 PolarHBondContact N-OD2 2.82Å; S154-D159 VanDerWaalsContact OG-CB 3.29Å; S154-D159 WeakPolarHBondContact OG-CB 3.35Å; S154-D159 PolarHBondContact OG-OD2 2.86Å
155I93.1Very high94.7Very high13 Ų1343.5 Ų43.57%0.06724%0.24CC..SBendtrans-91.666.6175.9-45.4-56.4000109.3L13 I20 F152 I160 Y329L13-I155 HydrophobicContact CD2-CD1 3.75Å; L13-I155 HydrophobicContact CD2-CG1 3.83Å; I20-I155 HydrophobicContact CD1-CG2 4.32Å; F152-I155 HydrophobicContact CD2-CD1 3.92Å; F152-I155 HydrophobicContact CE2-CD1 3.54Å; I155-I160 HydrophobicContact CD1-CD1 4.4Å; I155-Y329 HydrophobicContact CD1-CE2 4.2Å; I155-Y329 HydrophobicContact CG1-CE2 4.12Å
156T90.8Very high95Very high25 Ų2544.4 Ų44.415%0.15326%0.256CS..SBendtrans-122.9155.4179.364.10000111.4S154 T158 D159 I160 M393S154-T156 VanDerWaalsContact C-N 3.29Å; S154-T156 PolarHBondContact O-N 3.49Å; S154-T156 PolarHBondContact OG-OG1 3.47Å; S154-T156 VanDerWaalsContact OG-OG1 3.12Å; T156-T158 VanDerWaalsContact C-N 3.27Å; T156-T158 PolarHBondContact O-N 3.24Å; T156-D159 PolarHBondContact O-N 2.8Å; T156-D159 WeakPolarHBondContact OG1-CB 3.19Å; T156-D159 PolarHBondContact OG1-N 3.42Å; T156-I160 WeakPolarHBondContact O-CB 3.43Å; T156-I160 VanDerWaalsContact O-CG1 3.29Å; T156-I160 WeakPolarHBondContact O-CG1 3.49Å; T156-I160 PolarHBondContact O-N 2.89Å; T156-M393 HydrophobicContact CG2-CB 3.82Å; T156-M393 HydrophobicContact CG2-CE 4.01Å
157D90.1Very high95.1Very high109 Ų10944.7 Ų44.758%0.58326%0.257SS*.Hα-helixtrans-53.3-44.5178.4-67.3-100.1000112.6I20 C161I20-D157 HydrophobicContact CG2-CB 4.38Å; D157-C161 WeakPolarHBondContact O-CB 3.36Å; D157-C161 PolarHBondContact O-N 3.34Å; D157-C161 VanDerWaalsContact O-N 3.08Å; D157-C161 PolarHBondContact O-SG 3.44Å
158T90.7Very high95.1Very high101 Ų10144.6 Ų44.662%0.6226%0.261SS*.Hα-helixtrans-63.1-52.9-179.2-54.20000111.9T156 N162T156-T158 VanDerWaalsContact C-N 3.27Å; T156-T158 PolarHBondContact O-N 3.24Å; T158-N162 WeakPolarHBondContact O-CB 3.49Å; T158-N162 PolarHBondContact O-N 2.86Å; T158-N162 PolarHBondContact O-ND2 2.98Å
159D92.6Very high95Very high39 Ų3949 Ų4921%0.20928%0.282CS..Hα-helixtrans-70.6-41.6-172.2-159.823.9000111.6S153 S154 T156 N162 A163S153-D159 WeakPolarHBondContact CA-OD2 3.41Å; S153-D159 PolarHBondContact N-OD2 2.89Å; S154-D159 PolarHBondContact N-OD2 2.82Å; S154-D159 VanDerWaalsContact OG-CB 3.29Å; S154-D159 WeakPolarHBondContact OG-CB 3.35Å; S154-D159 PolarHBondContact OG-OD2 2.86Å; T156-D159 PolarHBondContact O-N 2.8Å; T156-D159 WeakPolarHBondContact OG1-CB 3.19Å; T156-D159 PolarHBondContact OG1-N 3.42Å; D159-N162 PolarHBondContact O-N 2.95Å; D159-A163 WeakPolarHBondContact O-CB 3.34Å; D159-A163 PolarHBondContact O-N 3.39Å
160I95.8Very high95Very high0 Ų050.1 Ų50.10%029%0.29CS..Hα-helixtrans-67.2-41.4177.8-63.8-59000111.8I17 I20 L21 W115 F152 I155 T156 A163 M164I17-I160 HydrophobicContact CD1-CD1 4.4Å; I17-I160 HydrophobicContact CG1-CD1 4Å; I17-I160 HydrophobicContact CG2-CG2 3.92Å; I20-I160 HydrophobicContact CB-CG2 4.36Å; I20-I160 HydrophobicContact CD1-CB 4.38Å; I20-I160 HydrophobicContact CD1-CG1 4.05Å; I20-I160 HydrophobicContact CG2-CB 4.1Å; I20-I160 HydrophobicContact CG2-CG2 3.92Å; L21-I160 HydrophobicContact CD1-CG2 4.35Å; L21-I160 HydrophobicContact CD2-CG2 3.76Å; L21-I160 HydrophobicContact CG-CG2 3.84Å; W115-I160 HydrophobicContact CE3-CD1 4.33Å; W115-I160 HydrophobicContact CH2-CG2 3.93Å; W115-I160 WeakPolarHBondContact CH2-O 3.07Å; W115-I160 HydrophobicContact CZ3-CD1 3.78Å; W115-I160 HydrophobicContact CZ3-CG2 3.93Å; F152-I160 HydrophobicContact CB-CD1 4.19Å; F152-I160 HydrophobicContact CD2-CD1 3.89Å; F152-I160 HydrophobicContact CE2-CD1 4.45Å; F152-I160 HydrophobicContact CG-CD1 3.99Å; I155-I160 HydrophobicContact CD1-CD1 4.4Å; T156-I160 WeakPolarHBondContact O-CB 3.43Å; T156-I160 VanDerWaalsContact O-CG1 3.29Å; T156-I160 WeakPolarHBondContact O-CG1 3.49Å; T156-I160 PolarHBondContact O-N 2.89Å; I160-A163 PolarHBondContact O-N 2.88Å; I160-M164 PolarHBondContact O-N 3.5Å; I160-M164 VanDerWaalsContact O-N 3.13Å
161C95.3Very high95Very high59 Ų5952.1 Ų52.140%0.39930%0.301SS..Hα-helixtrans-66.6-39176.1-690000111.9D157 M164 A165D157-C161 WeakPolarHBondContact O-CB 3.36Å; D157-C161 PolarHBondContact O-N 3.34Å; D157-C161 VanDerWaalsContact O-N 3.08Å; D157-C161 PolarHBondContact O-SG 3.44Å; C161-M164 PolarHBondContact O-N 3.26Å; C161-A165 PolarHBondContact O-N 2.85Å; C161-A165 VanDerWaalsContact O-N 3.11Å
162N94.8Very high95Very high94 Ų9450.3 Ų50.350%0.50330%0.298SS..Hα-helixtrans-65.1-42.2176.1-73.1-16.4000111.7T158 D159 M164 A165 C166T158-N162 WeakPolarHBondContact O-CB 3.49Å; T158-N162 PolarHBondContact O-N 2.86Å; T158-N162 PolarHBondContact O-ND2 2.98Å; D159-N162 PolarHBondContact O-N 2.95Å; N162-M164 VanDerWaalsContact C-N 3.29Å; N162-M164 PolarHBondContact O-N 3.29Å; N162-A165 PolarHBondContact O-N 3.34Å; N162-A165 VanDerWaalsContact O-N 3.09Å; N162-C166 PolarHBondContact O-N 3.44Å
163A96.6Very high95.2Very high5 Ų553.4 Ų53.44%0.04132%0.315CS..Hα-helixtrans-58.6-41.8175.800000111.8W115 A150 R151 F152 D159 I160 A165 C166 L167W115-A163 HydrophobicContact CH2-CB 3.93Å; W115-A163 HydrophobicContact CZ3-CB 3.91Å; A150-A163 HydrophobicContact CB-CB 4.27Å; R151-A163 WeakPolarHBondContact O-CB 3.31Å; F152-A163 HydrophobicContact CB-CB 4.18Å; D159-A163 WeakPolarHBondContact O-CB 3.34Å; D159-A163 PolarHBondContact O-N 3.39Å; I160-A163 PolarHBondContact O-N 2.88Å; A163-A165 VanDerWaalsContact C-N 3.32Å; A163-A165 PolarHBondContact O-N 3.04Å; A163-C166 CarbonylContact O-C 3.55Å; A163-C166 PolarHBondContact O-N 2.59Å; A163-L167 WeakPolarHBondContact O-CD2 3.39Å; A163-L167 PolarHBondContact O-N 3Å
164M97.1Very high95.2Very high39 Ų3954.8 Ų54.819%0.19232%0.319CS..Hα-helixtrans-67.2-31.3176.2-169.662.1179.900113L21 F45 F52 W115 I160 C161 N162 L167L21-M164 HydrophobicContact CD2-CB 4.08Å; L21-M164 HydrophobicContact CD2-CG 4.3Å; F45-M164 HydrophobicContact CD2-CE 3.54Å; F45-M164 HydrophobicContact CE2-CE 3.86Å; F52-M164 HydrophobicContact CE1-CE 3.5Å; F52-M164 VanDerWaalsContact CE1-CE 3.5Å; F52-M164 HydrophobicContact CZ-CE 3.47Å; F52-M164 VanDerWaalsContact CZ-CE 3.47Å; W115-M164 HydrophobicContact CH2-CB 4.19Å; W115-M164 HydrophobicContact CZ2-CB 4.17Å; W115-M164 HydrophobicContact CZ2-SD 3.84Å; I160-M164 PolarHBondContact O-N 3.5Å; I160-M164 VanDerWaalsContact O-N 3.13Å; C161-M164 PolarHBondContact O-N 3.26Å; N162-M164 VanDerWaalsContact C-N 3.29Å; N162-M164 PolarHBondContact O-N 3.29Å; M164-L167 HydrophobicContact SD-CD1 4.24Å
165A95.9Very high95.5Very high81 Ų8154.7 Ų54.767%0.66932%0.318SS*.Hα-helixtrans-76.1-27.9177.400000113C161 N162 A163C161-A165 PolarHBondContact O-N 2.85Å; C161-A165 VanDerWaalsContact O-N 3.11Å; N162-A165 PolarHBondContact O-N 3.34Å; N162-A165 VanDerWaalsContact O-N 3.09Å; A163-A165 VanDerWaalsContact C-N 3.32Å; A163-A165 PolarHBondContact O-N 3.04Å
166C95.4Very high95.7Very high106 Ų10655.7 Ų55.772%0.71632%0.323SS*.SBendtrans-123.256.2-174.4-62.20000112.1N162 A163N162-C166 PolarHBondContact O-N 3.44Å; A163-C166 CarbonylContact O-C 3.55Å; A163-C166 PolarHBondContact O-N 2.59Å
167L97.4Very high96Very high37 Ų3754.8 Ų54.819%0.19432%0.318CS..  trans-67.5133-179.1-67173.5000112.7F45 V113 F148 A150 A163 M164F45-L167 HydrophobicContact CE2-CD1 3.58Å; F45-L167 HydrophobicContact CZ-CD1 3.98Å; V113-L167 HydrophobicContact CG1-CD1 4.17Å; V113-L167 HydrophobicContact CG1-CD2 3.66Å; V113-L167 HydrophobicContact CG2-CD1 4.34Å; F148-L167 HydrophobicContact CB-CB 4.19Å; F148-L167 HydrophobicContact CB-CD1 3.99Å; F148-L167 HydrophobicContact CD1-CB 4.04Å; F148-L167 HydrophobicContact CD1-CD1 4.22Å; F148-L167 HydrophobicContact CG-CD1 4.2Å; A150-L167 HydrophobicContact CB-CD2 3.75Å; A163-L167 WeakPolarHBondContact O-CD2 3.39Å; A163-L167 PolarHBondContact O-N 3Å; M164-L167 HydrophobicContact SD-CD1 4.24Å
168G96.7Very high96.4Very high27 Ų2749.7 Ų49.728%0.27829%0.291SS..BIsolated β-bridgetrans-103.6-151176.900000113.5R149R149-G168 PolarHBondContact N-O 3.31Å; R149-G168 PolarHBondContact O-N 2.69Å
169E97.4Very high96.7Very high124 Ų12446.5 Ų46.558%0.57927%0.27SS*.  trans-124148.8176.6-66.3177.7-167.200109.4K145 R149K145-E169 WeakPolarHBondContact CE-OE1 3.48Å; K145-E169 IonicContact NZ-OE1 3.87Å; K145-E169 PolarHBondContact NZ-OE1 3.34Å; R149-E169 VanDerWaalsContact CB-C 3.42Å
170P97.7Very high96.9Very high25 Ų2544.6 Ų44.616%0.16226%0.26CS..  trans-67.8142.8174.329.9-34.6000110.5L114 E123 C126 F127 L130 V147 R149 H172L114-P170 HydrophobicContact CD1-CB 3.93Å; L114-P170 HydrophobicContact CD1-CG 4.04Å; E123-P170 WeakPolarHBondContact OE2-CA 3.25Å; C126-P170 HydrophobicContact CB-CB 4.32Å; F127-P170 HydrophobicContact CE1-CG 4.44Å; F127-P170 HydrophobicContact CE2-CB 3.93Å; F127-P170 HydrophobicContact CZ-CB 3.81Å; F127-P170 HydrophobicContact CZ-CG 3.99Å; L130-P170 HydrophobicContact CD1-CG 4.12Å; V147-P170 HydrophobicContact CG1-CG 4.21Å; R149-P170 HydrophobicContact CB-CB 4.43Å; P170-H172 PolarHBondContact O-N 3.02Å
171D97.8Very high97Very high42 Ų4247.3 Ų47.323%0.22527%0.27CS..  trans-92.7103.7-176.7-162.8-41.1000111.5E123 F127 N173 E174 A175E123-D171 PolarHBondContact OE2-N 3.45Å; F127-D171 WeakPolarHBondContact CE2-O 2.96Å; D171-N173 VanDerWaalsContact C-N 3.3Å; D171-N173 PolarHBondContact O-N 2.93Å; D171-N173 WeakPolarHBondContact OD1-CB 3.4Å; D171-N173 PolarHBondContact OD1-N 3.02Å; D171-E174 HydrophobicContact CB-CB 4.18Å; D171-E174 HydrophobicContact CB-CG 4.07Å; D171-E174 PolarHBondContact OD1-N 3.39Å; D171-A175 PolarHBondContact O-N 3.16Å
172H97.7Very high97Very high100 Ų10046 Ų4646%0.46326%0.258SS..Hα-helixtrans-68.7-28.5-178.8-171.6-112.1000113F127 P170 A175 L176F127-H172 AromaticContact CD1-CD2 3.81Å; F127-H172 HydrophobicContact CE1-CB 4.01Å; F127-H172 AromaticContact CE1-CD2 3.58Å; F127-H172 HydrophobicContact CE2-CB 4.2Å; F127-H172 VanDerWaalsContact CZ-CA 3.42Å; F127-H172 HydrophobicContact CZ-CB 3.57Å; F127-H172 AromaticContact CZ-CD2 3.88Å; P170-H172 PolarHBondContact O-N 3.02Å; H172-A175 PolarHBondContact O-N 3.27Å; H172-L176 WeakPolarHBondContact O-CB 3.13Å; H172-L176 VanDerWaalsContact O-CG 3.29Å; H172-L176 WeakPolarHBondContact O-CG 3.36Å; H172-L176 PolarHBondContact O-N 2.97Å
173N98Very high97.2Very high68 Ų6842.5 Ų42.536%0.36424%0.239SC..Hα-helixtrans-70.7-41.9-179.9-72-32.4000110.8D171 L176 S177 I571 A572D171-N173 VanDerWaalsContact C-N 3.3Å; D171-N173 PolarHBondContact O-N 2.93Å; D171-N173 WeakPolarHBondContact OD1-CB 3.4Å; D171-N173 PolarHBondContact OD1-N 3.02Å; N173-L176 PolarHBondContact O-N 3.31Å; N173-S177 PolarHBondContact O-N 3.49Å; N173-S177 VanDerWaalsContact O-N 3.09Å; N173-I571 WeakPolarHBondContact CB-O 3.36Å; N173-A572 WeakPolarHBondContact CB-O 3.43Å
174E96.5Very high97.2Very high52 Ų5242.3 Ų42.324%0.24324%0.237CC..Hα-helixtrans-61-45.6172.5-66.3-166.216400111.2K120 E123 D171 L176 S177 V178 A572K120-E174 HydrophobicContact CG-CB 4.35Å; E123-E174 HydrophobicContact CB-CB 4.34Å; E123-E174 HydrophobicContact CG-CB 4.49Å; D171-E174 HydrophobicContact CB-CB 4.18Å; D171-E174 HydrophobicContact CB-CG 4.07Å; D171-E174 PolarHBondContact OD1-N 3.39Å; E174-L176 PolarHBondContact O-N 3.44Å; E174-S177 WeakPolarHBondContact O-CB 3.46Å; E174-S177 PolarHBondContact O-N 3.05Å; E174-S177 VanDerWaalsContact O-N 3.09Å; E174-S177 PolarHBondContact O-OG 3.24Å; E174-V178 PolarHBondContact O-N 2.85Å; E174-A572 HydrophobicContact CG-CB 4.04Å
175A97.6Very high97.2Very high2 Ų242.1 Ų42.12%0.01724%0.237CC..Hα-helixtrans-59.2-42.2176.400000113N124 F127 D171 H172 S177 V178 D179N124-A175 HydrophobicContact CB-CB 4.48Å; N124-A175 PolarHBondContact ND2-O 2.93Å; F127-A175 HydrophobicContact CD2-CB 3.35Å; F127-A175 HydrophobicContact CE2-CB 3.69Å; F127-A175 HydrophobicContact CG-CB 4.27Å; D171-A175 PolarHBondContact O-N 3.16Å; H172-A175 PolarHBondContact O-N 3.27Å; A175-S177 VanDerWaalsContact C-N 3.29Å; A175-S177 PolarHBondContact O-N 3.44Å; A175-V178 PolarHBondContact O-N 3.14Å; A175-D179 PolarHBondContact O-N 3.38Å; A175-D179 VanDerWaalsContact O-N 3.09Å
176L98.3Very high97.2Very high35 Ų3539.9 Ų39.918%0.18321%0.213CC..Hα-helixtrans-64.3-32.1175.5-76176.9000112.7H172 N173 E174 V178 D179 A180 I571 Y578H172-L176 WeakPolarHBondContact O-CB 3.13Å; H172-L176 VanDerWaalsContact O-CG 3.29Å; H172-L176 WeakPolarHBondContact O-CG 3.36Å; H172-L176 PolarHBondContact O-N 2.97Å; N173-L176 PolarHBondContact O-N 3.31Å; E174-L176 PolarHBondContact O-N 3.44Å; L176-V178 VanDerWaalsContact C-N 3.32Å; L176-D179 PolarHBondContact O-N 3.48Å; L176-A180 WeakPolarHBondContact O-CB 3.38Å; L176-A180 PolarHBondContact O-N 3.32Å; L176-I571 HydrophobicContact CB-CG2 4.09Å; L176-Y578 HydrophobicContact CB-CD2 4.08Å; L176-Y578 HydrophobicContact CB-CG 4.36Å; L176-Y578 HydrophobicContact CD2-CD1 4.33Å; L176-Y578 HydrophobicContact CD2-CD2 4.23Å; L176-Y578 HydrophobicContact CD2-CE2 4.5Å; L176-Y578 HydrophobicContact CD2-CG 4.16Å; L176-Y578 WeakPolarHBondContact O-CD2 3.16Å
177S97.4Very high97.3Very high5 Ų535.6 Ų35.64%0.03518%0.182CC..Hα-helixtrans-65-37.2175.680.50000112N173 E174 A175 R181 L568N173-S177 PolarHBondContact O-N 3.49Å; N173-S177 VanDerWaalsContact O-N 3.09Å; E174-S177 WeakPolarHBondContact O-CB 3.46Å; E174-S177 PolarHBondContact O-N 3.05Å; E174-S177 VanDerWaalsContact O-N 3.09Å; E174-S177 PolarHBondContact O-OG 3.24Å; A175-S177 VanDerWaalsContact C-N 3.29Å; A175-S177 PolarHBondContact O-N 3.44Å; S177-R181 PolarHBondContact O-N 2.98Å; S177-L568 VanDerWaalsContact CB-O 3.31Å; S177-L568 WeakPolarHBondContact CB-O 3.44Å
178V96.9Very high97.3Very high3 Ų333.9 Ų33.92%0.01817%0.173CC..Hα-helixtrans-69.1-45.1174.9176.20000110.9K120 N124 E174 A175 L176 A180 R181 Q182K120-V178 HydrophobicContact CB-CG2 3.8Å; K120-V178 WeakPolarHBondContact O-CG2 3.3Å; N124-V178 HydrophobicContact CB-CB 3.81Å; N124-V178 HydrophobicContact CB-CG1 3.78Å; N124-V178 HydrophobicContact CB-CG2 4.15Å; E174-V178 PolarHBondContact O-N 2.85Å; A175-V178 PolarHBondContact O-N 3.14Å; L176-V178 VanDerWaalsContact C-N 3.32Å; V178-A180 VanDerWaalsContact C-N 3.29Å; V178-A180 PolarHBondContact O-N 3.26Å; V178-R181 WeakPolarHBondContact O-CB 3.19Å; V178-R181 PolarHBondContact O-N 2.64Å; V178-R181 VanDerWaalsContact O-N 3.13Å; V178-Q182 HydrophobicContact CG1-CG 4.29Å; V178-Q182 WeakPolarHBondContact O-CG 3.25Å; V178-Q182 PolarHBondContact O-N 2.72Å
179D97.5Very high97.3Very high33 Ų3333.1 Ų33.118%0.17617%0.165CC..Hα-helixtrans-58.8-42.1176-78.5-13.5000111.5K89 N124 A175 L176 Q182 E183 Y578K89-D179 VanDerWaalsContact CE-OD1 3.28Å; K89-D179 WeakPolarHBondContact CE-OD1 3.42Å; K89-D179 VanDerWaalsContact NZ-CG 3.35Å; K89-D179 IonicContact NZ-OD1 3.28Å; K89-D179 PolarHBondContact NZ-OD1 3.27Å; K89-D179 IonicContact NZ-OD2 2.68Å; K89-D179 PolarHBondContact NZ-OD2 3.17Å; N124-D179 PolarHBondContact ND2-OD1 3.38Å; A175-D179 PolarHBondContact O-N 3.38Å; A175-D179 VanDerWaalsContact O-N 3.09Å; L176-D179 PolarHBondContact O-N 3.48Å; D179-Q182 PolarHBondContact O-N 2.87Å; D179-E183 WeakPolarHBondContact O-CB 3.47Å; D179-E183 PolarHBondContact O-N 3.27Å; D179-Y578 HydrophobicContact CB-CE2 4.34Å
180A97.6Very high97.2Very high0 Ų028.5 Ų28.50%015%0.146CC..Hα-helixtrans-61.8-45.2174.900000111.6L176 V178 E183 L184 L568 I571 Y578L176-A180 WeakPolarHBondContact O-CB 3.38Å; L176-A180 PolarHBondContact O-N 3.32Å; V178-A180 VanDerWaalsContact C-N 3.29Å; V178-A180 PolarHBondContact O-N 3.26Å; A180-E183 PolarHBondContact O-N 2.94Å; A180-L184 WeakPolarHBondContact O-CB 3.4Å; A180-L184 WeakPolarHBondContact O-CG 3.41Å; A180-L184 PolarHBondContact O-N 2.66Å; A180-L568 HydrophobicContact CB-CD2 3.55Å; A180-I571 HydrophobicContact CB-CD1 4.11Å; A180-Y578 HydrophobicContact CB-CD2 3.78Å; A180-Y578 HydrophobicContact CB-CE2 3.67Å
181R97.3Very high97.2Very high57 Ų5727.3 Ų27.322%0.21514%0.139CC..Hα-helixtrans-59.5-49.9177.4-170.7-174.960.566.4-2.1111.4E121 S177 V178 E183 L184 D185 L568E121-R181 VanDerWaalsContact CD-NH2 3.35Å; E121-R181 IonicContact OE1-CZ 2.85Å; E121-R181 IonicContact OE1-NE 3.29Å; E121-R181 IonicContact OE1-NH2 2.66Å; E121-R181 PolarHBondContact OE1-NH2 3.05Å; E121-R181 IonicContact OE2-NH2 2.76Å; E121-R181 PolarHBondContact OE2-NH2 3.28Å; S177-R181 PolarHBondContact O-N 2.98Å; V178-R181 WeakPolarHBondContact O-CB 3.19Å; V178-R181 PolarHBondContact O-N 2.64Å; V178-R181 VanDerWaalsContact O-N 3.13Å; R181-E183 VanDerWaalsContact C-N 3.33Å; R181-E183 PolarHBondContact O-N 2.8Å; R181-L184 PolarHBondContact O-N 3.18Å; R181-D185 IonicContact NH1-OD2 3.73Å; R181-D185 WeakPolarHBondContact O-CB 3.36Å; R181-D185 VanDerWaalsContact O-CG 3.24Å; R181-D185 PolarHBondContact O-N 3.4Å; R181-L568 HydrophobicContact CB-CD1 3.83Å; R181-L568 HydrophobicContact CG-CD1 3.96Å
182Q95.9Very high97.2Very high30 Ų3025.3 Ų25.314%0.1413%0.128CC..Hα-helixtrans-58.7-44.6179.1-70.8-179.8400111.4L64 V178 D179 L186L64-Q182 HydrophobicContact CD2-CB 4.45Å; V178-Q182 HydrophobicContact CG1-CG 4.29Å; V178-Q182 WeakPolarHBondContact O-CG 3.25Å; V178-Q182 PolarHBondContact O-N 2.72Å; D179-Q182 PolarHBondContact O-N 2.87Å; Q182-L186 WeakPolarHBondContact O-CB 3.39Å; Q182-L186 PolarHBondContact O-N 3.4Å
183E97.6Very high97.2Very high21 Ų2121.2 Ų21.210%0.09811%0.11CC..Hα-helixtrans-68.3-43.6-179.9-171.7167.3170.600112.8L64 D179 A180 R181 L186 R187 Y578 L582L64-E183 HydrophobicContact CD2-CB 3.66Å; L64-E183 HydrophobicContact CD2-CG 4.1Å; D179-E183 WeakPolarHBondContact O-CB 3.47Å; D179-E183 PolarHBondContact O-N 3.27Å; A180-E183 PolarHBondContact O-N 2.94Å; R181-E183 VanDerWaalsContact C-N 3.33Å; R181-E183 PolarHBondContact O-N 2.8Å; E183-L186 PolarHBondContact O-N 3.36Å; E183-R187 HydrophobicContact CG-CG 4.24Å; E183-R187 WeakPolarHBondContact O-CB 3.28Å; E183-R187 VanDerWaalsContact O-CG 3.27Å; E183-R187 WeakPolarHBondContact O-CG 3.25Å; E183-R187 PolarHBondContact O-N 2.64Å; E183-R187 IonicContact OE1-CZ 2.64Å; E183-R187 IonicContact OE1-NE 3.66Å; E183-R187 PolarHBondContact OE1-NE 3.12Å; E183-R187 IonicContact OE1-NH2 2.72Å; E183-R187 PolarHBondContact OE1-NH2 2.86Å; E183-Y578 PolarHBondContact OE2-OH 3.27Å; E183-L582 HydrophobicContact CB-CD1 4.11Å; E183-L582 HydrophobicContact CG-CD1 4.02Å
184L97.4Very high97Very high1 Ų118.6 Ų18.61%0.00510%0.095CC..Hα-helixtrans-61.2-49.6176.2-71.8174.8000111.3A180 R181 L186 R187 I188 V564 L568 L582 T585 L586A180-L184 WeakPolarHBondContact O-CB 3.4Å; A180-L184 WeakPolarHBondContact O-CG 3.41Å; A180-L184 PolarHBondContact O-N 2.66Å; R181-L184 PolarHBondContact O-N 3.18Å; L184-L186 VanDerWaalsContact C-N 3.35Å; L184-L186 PolarHBondContact O-N 3.5Å; L184-R187 PolarHBondContact O-N 3.31Å; L184-I188 HydrophobicContact CB-CD1 4.32Å; L184-I188 HydrophobicContact CD2-CD1 4.38Å; L184-I188 VanDerWaalsContact O-CB 3.26Å; L184-I188 WeakPolarHBondContact O-CB 3.31Å; L184-I188 WeakPolarHBondContact O-CD1 3.16Å; L184-I188 WeakPolarHBondContact O-CG1 3.34Å; L184-I188 PolarHBondContact O-N 2.81Å; L184-V564 HydrophobicContact CD1-CG1 3.88Å; L184-L568 HydrophobicContact CD1-CD2 4.39Å; L184-L582 HydrophobicContact CD2-CD1 3.75Å; L184-L582 HydrophobicContact CG-CD1 3.87Å; L184-T585 HydrophobicContact CD1-CG2 4.04Å; L184-T585 HydrophobicContact CD2-CG2 3.71Å; L184-T585 HydrophobicContact CG-CG2 4.5Å; L184-L586 HydrophobicContact CD2-CD2 3.87Å; L184-L586 HydrophobicContact CD2-CG 3.84Å
185D96.4Very high97Very high35 Ų3517.6 Ų17.619%0.1879%0.09CC..Hα-helixtrans-64.1-40.6-178.6-68.8-14.2000111.1R181 G189 P216 R561R181-D185 IonicContact NH1-OD2 3.73Å; R181-D185 WeakPolarHBondContact O-CB 3.36Å; R181-D185 VanDerWaalsContact O-CG 3.24Å; R181-D185 PolarHBondContact O-N 3.4Å; D185-G189 VanDerWaalsContact O-CA 3.32Å; D185-G189 WeakPolarHBondContact O-CA 3.36Å; D185-G189 PolarHBondContact O-N 3.38Å; D185-P216 WeakPolarHBondContact OD1-CG 3.44Å; D185-R561 IonicContact OD1-CZ 2.78Å; D185-R561 IonicContact OD1-NH1 3.91Å; D185-R561 PolarHBondContact OD1-NH1 3.1Å; D185-R561 IonicContact OD1-NH2 3.86Å; D185-R561 IonicContact OD2-NH2 3.64Å
186L96.5Very high96.8Very high34 Ų3417.5 Ų17.518%0.1789%0.089CC..Hα-helixtrans-64-52.9176.3176.266.8000111.9L64 F66 T87 Q182 E183 L184 C190L64-L186 HydrophobicContact CB-CD2 4.49Å; L64-L186 HydrophobicContact CD2-CD2 4.19Å; L64-L186 HydrophobicContact CG-CD2 4.13Å; F66-L186 HydrophobicContact CE2-CD1 4.03Å; F66-L186 HydrophobicContact CE2-CD2 4.28Å; F66-L186 HydrophobicContact CE2-CG 3.91Å; F66-L186 HydrophobicContact CZ-CD2 4.37Å; F66-L186 HydrophobicContact CZ-CG 4.05Å; T87-L186 HydrophobicContact CG2-CD2 4.14Å; Q182-L186 WeakPolarHBondContact O-CB 3.39Å; Q182-L186 PolarHBondContact O-N 3.4Å; E183-L186 PolarHBondContact O-N 3.36Å; L184-L186 VanDerWaalsContact C-N 3.35Å; L184-L186 PolarHBondContact O-N 3.5Å; L186-C190 WeakPolarHBondContact O-CB 3.27Å; L186-C190 PolarHBondContact O-N 3.35Å; L186-C190 PolarHBondContact O-SG 2.69Å; L186-C190 VanDerWaalsContact O-SG 3.34Å
187R97.5Very high96.5Very high16 Ų1616.6 Ų16.66%0.069%0.085CC..Hα-helixtrans-65.1-53.4-175.1-71.3-177.2-177.1-73.10111.5F66 L81 A85 T87 E183 L184 A191 L586F66-R187 HydrophobicContact CE1-CG 4.18Å; F66-R187 HydrophobicContact CZ-CG 4.29Å; L81-R187 WeakPolarHBondContact O-CG 3.39Å; L81-R187 PolarHBondContact O-NH1 2.93Å; A85-R187 PolarHBondContact O-NH1 2.6Å; A85-R187 PolarHBondContact O-NH2 2.88Å; T87-R187 PolarHBondContact OG1-NH2 2.98Å; E183-R187 HydrophobicContact CG-CG 4.24Å; E183-R187 WeakPolarHBondContact O-CB 3.28Å; E183-R187 VanDerWaalsContact O-CG 3.27Å; E183-R187 WeakPolarHBondContact O-CG 3.25Å; E183-R187 PolarHBondContact O-N 2.64Å; E183-R187 IonicContact OE1-CZ 2.64Å; E183-R187 IonicContact OE1-NE 3.66Å; E183-R187 PolarHBondContact OE1-NE 3.12Å; E183-R187 IonicContact OE1-NH2 2.72Å; E183-R187 PolarHBondContact OE1-NH2 2.86Å; L184-R187 PolarHBondContact O-N 3.31Å; R187-A191 VanDerWaalsContact O-CB 3.28Å; R187-A191 WeakPolarHBondContact O-CB 2.99Å; R187-A191 PolarHBondContact O-N 3.47Å; R187-L586 HydrophobicContact CB-CD2 3.86Å; R187-L586 HydrophobicContact CG-CD2 4.4Å
188I98.1Very high96.2Very high2 Ų221.4 Ų21.41%0.0111%0.105CC..Hα-helixtrans-65.6-48.1-178.3-59.6165.7000109.3F82 L184 C190 A191 F192 F214 P216 L586 F589F82-I188 HydrophobicContact CE1-CG1 4.22Å; L184-I188 HydrophobicContact CB-CD1 4.32Å; L184-I188 HydrophobicContact CD2-CD1 4.38Å; L184-I188 VanDerWaalsContact O-CB 3.26Å; L184-I188 WeakPolarHBondContact O-CB 3.31Å; L184-I188 WeakPolarHBondContact O-CD1 3.16Å; L184-I188 WeakPolarHBondContact O-CG1 3.34Å; L184-I188 PolarHBondContact O-N 2.81Å; I188-C190 PolarHBondContact O-N 2.97Å; I188-A191 PolarHBondContact O-N 3.43Å; I188-F192 HydrophobicContact CG2-CD2 3.98Å; I188-F192 HydrophobicContact CG2-CE2 4.08Å; I188-F192 WeakPolarHBondContact O-CD2 3.25Å; I188-F192 PolarHBondContact O-N 3.03Å; I188-F214 HydrophobicContact CG2-CD1 4.28Å; I188-F214 HydrophobicContact CG2-CE1 3.73Å; I188-P216 HydrophobicContact CG2-CB 4.4Å; I188-L586 HydrophobicContact CG1-CD2 4.4Å; I188-F589 HydrophobicContact CD1-CB 4.05Å; I188-F589 HydrophobicContact CD1-CD1 4.11Å; I188-F589 HydrophobicContact CD1-CD2 3.46Å; I188-F589 VanDerWaalsContact CD1-CD2 3.46Å; I188-F589 HydrophobicContact CD1-CE1 4.43Å; I188-F589 HydrophobicContact CD1-CE2 3.84Å; I188-F589 HydrophobicContact CD1-CG 3.6Å; I188-F589 HydrophobicContact CD1-CZ 4.31Å; I188-F589 HydrophobicContact CG1-CB 3.93Å; I188-F589 HydrophobicContact CG1-CD1 4.34Å; I188-F589 HydrophobicContact CG1-CD2 4.29Å; I188-F589 HydrophobicContact CG1-CG 3.94Å; I188-F589 HydrophobicContact CG2-CB 4.47Å; I188-F589 HydrophobicContact CG2-CD1 3.63Å; I188-F589 HydrophobicContact CG2-CE1 4.02Å; I188-F589 HydrophobicContact CG2-CG 4.1Å
189G96.6Very high96Very high11 Ų1124.8 Ų24.811%0.11312%0.118CC..Hα-helixtrans-59.2-50.6-179.100000112.2D185 T193 F214D185-G189 VanDerWaalsContact O-CA 3.32Å; D185-G189 WeakPolarHBondContact O-CA 3.36Å; D185-G189 PolarHBondContact O-N 3.38Å; G189-T193 WeakPolarHBondContact O-CB 3.49Å; G189-T193 PolarHBondContact O-N 2.99Å; G189-T193 PolarHBondContact O-OG1 2.78Å; G189-F214 WeakPolarHBondContact CA-O 3.47Å
190C95.9Very high95.5Very high27 Ų2723.2 Ų23.218%0.18211%0.11CC..Hα-helixtrans-66.4-39.8-179.8-73.40000113F66 L81 L186 I188 R194F66-C190 HydrophobicContact CE2-CB 3.92Å; F66-C190 HydrophobicContact CZ-CB 4.39Å; L81-C190 HydrophobicContact CD1-CB 4Å; L186-C190 WeakPolarHBondContact O-CB 3.27Å; L186-C190 PolarHBondContact O-N 3.35Å; L186-C190 PolarHBondContact O-SG 2.69Å; L186-C190 VanDerWaalsContact O-SG 3.34Å; I188-C190 PolarHBondContact O-N 2.97Å; C190-R194 WeakPolarHBondContact O-CB 3.48Å; C190-R194 WeakPolarHBondContact O-CG 3.43Å; C190-R194 PolarHBondContact O-N 3.32Å
191A97.2Very high95Very high0 Ų029.1 Ų29.10%014%0.137CC..Hα-helixtrans-61.7-53.9-178.900000111.7P78 L81 F82 R187 I188 F195 F593P78-A191 WeakPolarHBondContact CB-O 2.99Å; L81-A191 HydrophobicContact CB-CB 4.44Å; F82-A191 HydrophobicContact CD2-CB 4.08Å; F82-A191 HydrophobicContact CE1-CB 4.48Å; F82-A191 HydrophobicContact CE2-CB 3.33Å; F82-A191 HydrophobicContact CZ-CB 3.57Å; R187-A191 VanDerWaalsContact O-CB 3.28Å; R187-A191 WeakPolarHBondContact O-CB 2.99Å; R187-A191 PolarHBondContact O-N 3.47Å; I188-A191 PolarHBondContact O-N 3.43Å; A191-F195 WeakPolarHBondContact O-CB 3.27Å; A191-F195 PolarHBondContact O-N 2.98Å; A191-F593 HydrophobicContact CB-CD2 4.36Å; A191-F593 HydrophobicContact CB-CE2 4.27Å; A191-F593 WeakPolarHBondContact O-CE2 3.46Å
192F97.9Very high94Very high0 Ų030.1 Ų30.10%017%0.165CC..Hα-helixtrans-66.7-39.8178.7-80-94.9000112.4F82 I188 Q196 F214 L555 F589 F593 F596F82-F192 HydrophobicContact CZ-CD2 4.35Å; F82-F192 HydrophobicContact CZ-CE2 4.05Å; I188-F192 HydrophobicContact CG2-CD2 3.98Å; I188-F192 HydrophobicContact CG2-CE2 4.08Å; I188-F192 WeakPolarHBondContact O-CD2 3.25Å; I188-F192 PolarHBondContact O-N 3.03Å; F192-Q196 WeakPolarHBondContact O-CG 3.36Å; F192-Q196 PolarHBondContact O-N 2.99Å; F192-Q196 PolarHBondContact O-NE2 3Å; F192-F214 HydrophobicContact CB-CB 3.48Å; F192-F214 VanDerWaalsContact CB-CB 3.48Å; F192-F214 HydrophobicContact CB-CD1 3.53Å; F192-F214 HydrophobicContact CB-CE1 4.43Å; F192-F214 HydrophobicContact CB-CG 3.59Å; F192-F214 HydrophobicContact CD1-CD1 4.39Å; F192-F214 HydrophobicContact CD1-CG 4.37Å; F192-F214 AromaticContact CD2-CD1 3.94Å; F192-F214 HydrophobicContact CD2-CD1 3.94Å; F192-F214 HydrophobicContact CD2-CE1 4.06Å; F192-F214 HydrophobicContact CE2-CE1 4.47Å; F192-F214 HydrophobicContact CG-CB 4.4Å; F192-F214 AromaticContact CG-CD1 3.72Å; F192-F214 HydrophobicContact CG-CD1 3.72Å; F192-F214 HydrophobicContact CG-CE1 4.14Å; F192-F214 AromaticContact CG-CG 4Å; F192-F214 HydrophobicContact CG-CG 4Å; F192-L555 HydrophobicContact CE1-CD1 4.26Å; F192-L555 HydrophobicContact CE1-CD2 4.34Å; F192-L555 HydrophobicContact CZ-CD2 4.19Å; F192-F589 HydrophobicContact CE2-CD1 4.38Å; F192-F593 HydrophobicContact CD1-CD2 4.09Å; F192-F593 AromaticContact CD2-CD2 3.86Å; F192-F593 HydrophobicContact CD2-CD2 3.86Å; F192-F593 HydrophobicContact CE1-CB 4.49Å; F192-F593 HydrophobicContact CE1-CD2 4.1Å; F192-F593 HydrophobicContact CE2-CB 3.85Å; F192-F593 AromaticContact CE2-CD2 3.89Å; F192-F593 HydrophobicContact CE2-CD2 3.89Å; F192-F593 HydrophobicContact CE2-CG 4.36Å; F192-F593 AromaticContact CG-CD2 3.97Å; F192-F593 HydrophobicContact CG-CD2 3.97Å; F192-F593 HydrophobicContact CZ-CB 3.77Å; F192-F593 HydrophobicContact CZ-CD2 4.01Å; F192-F593 HydrophobicContact CZ-CG 4.41Å; F192-F596 AromaticContact CD1-CD1 3.93Å; F192-F596 HydrophobicContact CD1-CD1 3.93Å; F192-F596 HydrophobicContact CD1-CE1 4.19Å; F192-F596 HydrophobicContact CD1-CG 4.19Å; F192-F596 HydrophobicContact CE1-CB 3.9Å; F192-F596 AromaticContact CE1-CD1 3.95Å; F192-F596 HydrophobicContact CE1-CD1 3.95Å; F192-F596 HydrophobicContact CE1-CD2 4.34Å; F192-F596 AromaticContact CE1-CG 3.79Å; F192-F596 HydrophobicContact CE1-CG 3.79Å
193T96.6Very high93.3Very high13 Ų1332.7 Ų32.78%0.0818%0.176CC..Hα-helixtrans-64.3-55.8179.2-64.60000111W73 G189 F195 Q196 T197 S213 F214W73-T193 HydrophobicContact CH2-CG2 4.03Å; W73-T193 HydrophobicContact CZ3-CG2 4.05Å; G189-T193 WeakPolarHBondContact O-CB 3.49Å; G189-T193 PolarHBondContact O-N 2.99Å; G189-T193 PolarHBondContact O-OG1 2.78Å; T193-F195 VanDerWaalsContact C-N 3.29Å; T193-F195 PolarHBondContact O-N 3.4Å; T193-Q196 PolarHBondContact O-N 2.79Å; T193-Q196 VanDerWaalsContact O-N 3.13Å; T193-T197 HydrophobicContact CG2-CG2 4.1Å; T193-T197 WeakPolarHBondContact O-CG2 3.48Å; T193-T197 PolarHBondContact O-N 3.17Å; T193-T197 PolarHBondContact O-OG1 3.47Å; T193-S213 WeakPolarHBondContact OG1-CA 3.4Å; T193-F214 PolarHBondContact OG1-N 2.83Å; T193-F214 PolarHBondContact OG1-O 2.81Å
194R94.8Very high92.3Very high13 Ų1332.5 Ų32.55%0.04917%0.174CC..Hα-helixtrans-64.4-34.3-174.9-67.8-179.4-175.4-171.98.2112.6Y70 W73 P78 C190 T197 K198Y70-R194 PolarHBondContact O-NH1 3.46Å; Y70-R194 PolarHBondContact O-NH2 3.46Å; W73-R194 HydrophobicContact CD2-CG 3.89Å; W73-R194 HydrophobicContact CE3-CB 4.39Å; W73-R194 HydrophobicContact CE3-CG 3.64Å; W73-R194 HydrophobicContact CG-CG 4.44Å; W73-R194 HydrophobicContact CH2-CG 4.43Å; W73-R194 HydrophobicContact CZ3-CG 3.93Å; P78-R194 HydrophobicContact CG-CB 4.33Å; C190-R194 WeakPolarHBondContact O-CB 3.48Å; C190-R194 WeakPolarHBondContact O-CG 3.43Å; C190-R194 PolarHBondContact O-N 3.32Å; R194-T197 WeakPolarHBondContact CA-OG1 3.41Å; R194-T197 PolarHBondContact O-OG1 3.23Å; R194-K198 VanDerWaalsContact O-CB 3.24Å; R194-K198 WeakPolarHBondContact O-CB 3.38Å; R194-K198 PolarHBondContact O-N 3.12Å
195F95.9Very high90.7Very high32 Ų3236 Ų3614%0.1421%0.21CC..Hα-helixtrans-60.9-51.6172.9172.2-99000111P78 A191 T193 K198 Y199 F593 F596 V597 I600P78-F195 HydrophobicContact CB-CB 4.16Å; P78-F195 HydrophobicContact CG-CB 4.03Å; A191-F195 WeakPolarHBondContact O-CB 3.27Å; A191-F195 PolarHBondContact O-N 2.98Å; T193-F195 VanDerWaalsContact C-N 3.29Å; T193-F195 PolarHBondContact O-N 3.4Å; F195-K198 PolarHBondContact O-N 2.9Å; F195-Y199 HydrophobicContact CZ-CD2 4.23Å; F195-Y199 WeakPolarHBondContact O-CB 3.49Å; F195-Y199 PolarHBondContact O-N 3.31Å; F195-F593 HydrophobicContact CB-CE2 3.89Å; F195-F593 HydrophobicContact CB-CZ 3.93Å; F195-F593 HydrophobicContact CD2-CZ 4.41Å; F195-F593 HydrophobicContact CG-CE2 4.26Å; F195-F593 HydrophobicContact CG-CZ 4.17Å; F195-F596 HydrophobicContact CD1-CD1 4.24Å; F195-F596 AromaticContact CD1-CE1 3.78Å; F195-F596 HydrophobicContact CD1-CE1 3.78Å; F195-F596 HydrophobicContact CE1-CD1 4.21Å; F195-F596 AromaticContact CE1-CE1 3.82Å; F195-F596 HydrophobicContact CE1-CE1 3.82Å; F195-V597 HydrophobicContact CD1-CG2 4.22Å; F195-V597 HydrophobicContact CD2-CG2 3.92Å; F195-V597 HydrophobicContact CE1-CG2 3.99Å; F195-V597 HydrophobicContact CE2-CB 4.25Å; F195-V597 HydrophobicContact CE2-CG1 3.75Å; F195-V597 HydrophobicContact CE2-CG2 3.69Å; F195-V597 HydrophobicContact CG-CG2 4.18Å; F195-V597 HydrophobicContact CZ-CB 4.08Å; F195-V597 HydrophobicContact CZ-CG1 3.83Å; F195-V597 HydrophobicContact CZ-CG2 3.73Å; F195-I600 HydrophobicContact CE1-CB 4.42Å; F195-I600 HydrophobicContact CE1-CD1 3.72Å; F195-I600 HydrophobicContact CE1-CG1 3.87Å; F195-I600 HydrophobicContact CZ-CB 4.39Å; F195-I600 HydrophobicContact CZ-CD1 4.45Å; F195-I600 HydrophobicContact CZ-CG1 4.1Å
196Q94.6Very high89.5Confident0 Ų039.9 Ų39.90%023%0.231CC..Hα-helixtrans-68.6-43.8-176.9-71.4175.390.800112.8F192 T193 K198 Y199 F200 I212 Y548 F596F192-Q196 WeakPolarHBondContact O-CG 3.36Å; F192-Q196 PolarHBondContact O-N 2.99Å; F192-Q196 PolarHBondContact O-NE2 3Å; T193-Q196 PolarHBondContact O-N 2.79Å; T193-Q196 VanDerWaalsContact O-N 3.13Å; Q196-K198 VanDerWaalsContact C-N 3.28Å; Q196-K198 PolarHBondContact O-N 2.95Å; Q196-Y199 PolarHBondContact O-N 3.31Å; Q196-F200 HydrophobicContact CB-CD2 4.22Å; Q196-F200 HydrophobicContact CB-CE2 4.37Å; Q196-F200 HydrophobicContact CG-CE2 4.46Å; Q196-F200 WeakPolarHBondContact O-CB 3.31Å; Q196-F200 VanDerWaalsContact O-CD2 3.23Å; Q196-F200 WeakPolarHBondContact O-CD2 3.46Å; Q196-F200 PolarHBondContact O-N 3.1Å; Q196-I212 HydrophobicContact CB-CG2 3.8Å; Q196-Y548 VanDerWaalsContact CD-OH 3.31Å; Q196-Y548 PolarHBondContact NE2-OH 3.3Å; Q196-Y548 PolarHBondContact OE1-OH 3.39Å; Q196-F596 HydrophobicContact CG-CE1 3.93Å; Q196-F596 HydrophobicContact CG-CZ 3.97Å
197T91.6Very high88.4Confident15 Ų1539 Ų399%0.09223%0.226CC..Hα-helixtrans-58.1-45.4177.957.20000110.4W73 T193 R194 Q201 S209 I212W73-T197 HydrophobicContact CZ3-CG2 4.08Å; T193-T197 HydrophobicContact CG2-CG2 4.1Å; T193-T197 WeakPolarHBondContact O-CG2 3.48Å; T193-T197 PolarHBondContact O-N 3.17Å; T193-T197 PolarHBondContact O-OG1 3.47Å; R194-T197 WeakPolarHBondContact CA-OG1 3.41Å; R194-T197 PolarHBondContact O-OG1 3.23Å; T197-Q201 VanDerWaalsContact O-CB 3.3Å; T197-Q201 WeakPolarHBondContact O-CB 3.47Å; T197-Q201 PolarHBondContact O-N 3.33Å; T197-S209 WeakPolarHBondContact CG2-O 3.3Å; T197-I212 HydrophobicContact CG2-CB 4.47Å; T197-I212 WeakPolarHBondContact CG2-O 3.41Å
198K90.8Very high87.4Confident106 Ų10642.2 Ų42.246%0.46125%0.245SC..Hα-helixtrans-67.4-40.1176.5-171.4172.5-178.61740112.9D74 R194 F195 Q196D74-K198 PolarHBondContact O-NZ 3.32Å; D74-K198 VanDerWaalsContact O-NZ 3.09Å; R194-K198 VanDerWaalsContact O-CB 3.24Å; R194-K198 WeakPolarHBondContact O-CB 3.38Å; R194-K198 PolarHBondContact O-N 3.12Å; F195-K198 PolarHBondContact O-N 2.9Å; Q196-K198 VanDerWaalsContact C-N 3.28Å; Q196-K198 PolarHBondContact O-N 2.95Å
199Y91.8Very high86.3Confident75 Ų7542.8 Ų42.829%0.29425%0.249SC..Hα-helixtrans-65.7-39.2180-177.8-92.5000112.5F195 Q196 K203 I600 D604F195-Y199 HydrophobicContact CZ-CD2 4.23Å; F195-Y199 WeakPolarHBondContact O-CB 3.49Å; F195-Y199 PolarHBondContact O-N 3.31Å; Q196-Y199 PolarHBondContact O-N 3.31Å; Y199-K203 PolarHBondContact OH-NZ 3.42Å; Y199-I600 HydrophobicContact CD1-CG1 3.99Å; Y199-I600 HydrophobicContact CD2-CG1 4.38Å; Y199-I600 HydrophobicContact CE1-CG1 3.75Å; Y199-I600 HydrophobicContact CE2-CG1 4.17Å; Y199-I600 HydrophobicContact CE2-CG2 3.94Å; Y199-I600 HydrophobicContact CG-CG1 4.32Å; Y199-D604 HydrophobicContact CE1-CB 4.16Å; Y199-D604 PolarHBondContact OH-OD2 2.96Å; Y199-D604 VanDerWaalsContact OH-OD2 3.05Å
200F88.6Confident85.4Confident0 Ų045.7 Ų45.70%027%0.268CS..Hα-helixtrans-93.7-4.2-179-66.5-61.8000114.1Q196 G202 K203 Y204 L207 I212 M603 D604 M607Q196-F200 HydrophobicContact CB-CD2 4.22Å; Q196-F200 HydrophobicContact CB-CE2 4.37Å; Q196-F200 HydrophobicContact CG-CE2 4.46Å; Q196-F200 WeakPolarHBondContact O-CB 3.31Å; Q196-F200 VanDerWaalsContact O-CD2 3.23Å; Q196-F200 WeakPolarHBondContact O-CD2 3.46Å; Q196-F200 PolarHBondContact O-N 3.1Å; F200-G202 PolarHBondContact O-N 3.07Å; F200-G202 VanDerWaalsContact O-N 3.13Å; F200-K203 HydrophobicContact CD1-CD 4.37Å; F200-K203 WeakPolarHBondContact O-CB 3.39Å; F200-K203 PolarHBondContact O-N 2.95Å; F200-K203 VanDerWaalsContact O-N 3.09Å; F200-Y204 HydrophobicContact CD1-CD2 4.2Å; F200-Y204 AromaticContact CD1-CE2 3.71Å; F200-Y204 HydrophobicContact CD1-CE2 3.71Å; F200-Y204 AromaticContact CE1-CE2 3.98Å; F200-Y204 HydrophobicContact CE1-CE2 3.98Å; F200-L207 HydrophobicContact CB-CD2 4.04Å; F200-L207 HydrophobicContact CG-CD2 4.41Å; F200-I212 HydrophobicContact CB-CD1 4.06Å; F200-I212 HydrophobicContact CD2-CD1 3.72Å; F200-I212 HydrophobicContact CG-CD1 4.14Å; F200-M603 HydrophobicContact CE2-CG 4.1Å; F200-M603 HydrophobicContact CZ-CG 3.81Å; F200-D604 HydrophobicContact CE1-CB 4.42Å; F200-D604 WeakPolarHBondContact CE1-OD1 3.49Å; F200-M607 HydrophobicContact CD1-CG 4.48Å; F200-M607 HydrophobicContact CE1-CB 3.94Å; F200-M607 HydrophobicContact CE1-CG 3.88Å; F200-M607 HydrophobicContact CE2-CG 4.48Å; F200-M607 HydrophobicContact CZ-CB 4.42Å; F200-M607 HydrophobicContact CZ-CG 3.89Å
201Q86.1Confident84.6Confident124 Ų12447.6 Ų47.658%0.57928%0.276SS*.THydrogen-bonded Turntrans-58117.1-177.4-166.7175.429.100111.7T197 K203 S209T197-Q201 VanDerWaalsContact O-CB 3.3Å; T197-Q201 WeakPolarHBondContact O-CB 3.47Å; T197-Q201 PolarHBondContact O-N 3.33Å; Q201-K203 PolarHBondContact O-N 2.88Å; Q201-K203 VanDerWaalsContact O-N 3.1Å; Q201-S209 WeakPolarHBondContact CA-OG 3.49Å
202G76.1Confident84.3Confident77 Ų7747.6 Ų47.679%0.79428%0.276SS*.THydrogen-bonded Turntrans65.39.2178.900000114.9F200F200-G202 PolarHBondContact O-N 3.07Å; F200-G202 VanDerWaalsContact O-N 3.13Å
203K81.3Confident84.2Confident85 Ų8547.8 Ų47.837%0.3728%0.277SS..THydrogen-bonded Turntrans-78-34.6-178.2-167.3173.6-176.8-1790112.5Y199 F200 Q201 D604Y199-K203 PolarHBondContact OH-NZ 3.42Å; F200-K203 HydrophobicContact CD1-CD 4.37Å; F200-K203 WeakPolarHBondContact O-CB 3.39Å; F200-K203 PolarHBondContact O-N 2.95Å; F200-K203 VanDerWaalsContact O-N 3.09Å; Q201-K203 PolarHBondContact O-N 2.88Å; Q201-K203 VanDerWaalsContact O-N 3.1Å; K203-D604 WeakPolarHBondContact CE-OD1 3.39Å; K203-D604 IonicContact NZ-OD1 3.96Å; K203-D604 PolarHBondContact NZ-OD1 2.98Å; K203-D604 IonicContact NZ-OD2 2.73Å; K203-D604 PolarHBondContact NZ-OD2 2.88Å
204Y77.2Confident84.2Confident17 Ų1747.5 Ų47.57%0.06728%0.275CS..SBendtrans-126.8127.6-178.3-58.4-59.2000109.8F200 D206 L207 D604 M607 E608 F611F200-Y204 HydrophobicContact CD1-CD2 4.2Å; F200-Y204 AromaticContact CD1-CE2 3.71Å; F200-Y204 HydrophobicContact CD1-CE2 3.71Å; F200-Y204 AromaticContact CE1-CE2 3.98Å; F200-Y204 HydrophobicContact CE1-CE2 3.98Å; Y204-D206 VanDerWaalsContact C-N 3.31Å; Y204-D206 PolarHBondContact O-N 2.85Å; Y204-L207 HydrophobicContact CD2-CD2 3.75Å; Y204-L207 PolarHBondContact O-N 3.29Å; Y204-D604 PolarHBondContact OH-O 2.99Å; Y204-D604 PolarHBondContact OH-OD1 2.85Å; Y204-M607 HydrophobicContact CD2-CB 4.19Å; Y204-M607 HydrophobicContact CE2-CB 3.62Å; Y204-E608 HydrophobicContact CE1-CB 3.97Å; Y204-E608 HydrophobicContact CE1-CG 4.06Å; Y204-F611 HydrophobicContact CG-CB 4.31Å
205G64Low84.3Confident74 Ų7447.2 Ų47.276%0.76328%0.276SS*.THydrogen-bonded Turntrans-65.7-30.4-171.900000114.3
206D70Confident84.3Confident116 Ų11646.2 Ų46.262%0.6227%0.273SS*.THydrogen-bonded Turntrans-98.610.3-179-60.1-37.7000112.7Y204Y204-D206 VanDerWaalsContact C-N 3.31Å; Y204-D206 PolarHBondContact O-N 2.85Å
207L73.8Confident84.4Confident15 Ų1546.3 Ų46.38%0.07927%0.274CS..  trans-112.2112.7179-177.564.5000111F200 Y204 S209 I212 L540 M607 F611F200-L207 HydrophobicContact CB-CD2 4.04Å; F200-L207 HydrophobicContact CG-CD2 4.41Å; Y204-L207 HydrophobicContact CD2-CD2 3.75Å; Y204-L207 PolarHBondContact O-N 3.29Å; L207-S209 PolarHBondContact O-N 3.42Å; L207-S209 VanDerWaalsContact O-N 3.1Å; L207-I212 HydrophobicContact CD1-CD1 4.34Å; L207-I212 HydrophobicContact CD2-CD1 4.08Å; L207-I212 HydrophobicContact CG-CD1 4.47Å; L207-L540 HydrophobicContact CD1-CD1 4.01Å; L207-M607 HydrophobicContact CD1-SD 4.47Å; L207-M607 HydrophobicContact CD2-SD 4.12Å; L207-F611 HydrophobicContact CB-CB 3.98Å; L207-F611 HydrophobicContact CB-CD1 4.28Å; L207-F611 HydrophobicContact CB-CG 4.16Å; L207-F611 HydrophobicContact CD1-CD1 4.06Å; L207-F611 HydrophobicContact CD1-CD2 4.23Å; L207-F611 HydrophobicContact CD1-CE1 4.17Å; L207-F611 HydrophobicContact CD1-CE2 4.34Å; L207-F611 HydrophobicContact CD1-CG 4.1Å; L207-F611 HydrophobicContact CD1-CZ 4.31Å
208D75.9Confident84.6Confident85 Ų8546.5 Ų46.546%0.45527%0.273SS..  trans-77.794.6160.9-175.3-1.3000109.7S210 L211D208-S210 PolarHBondContact O-N 3.36Å; D208-S210 VanDerWaalsContact O-N 3.08Å; D208-S210 VanDerWaalsContact OD1-CB 3.25Å; D208-S210 WeakPolarHBondContact OD1-CB 3.36Å; D208-S210 PolarHBondContact OD1-N 2.7Å; D208-S210 PolarHBondContact OD1-OG 2.95Å; D208-S210 PolarHBondContact OD2-OG 3.3Å; D208-S210 VanDerWaalsContact OD2-OG 3.1Å; D208-L211 HydrophobicContact CB-CD1 3.9Å; D208-L211 HydrophobicContact CB-CG 4.02Å; D208-L211 WeakPolarHBondContact O-CB 3.41Å; D208-L211 PolarHBondContact O-N 3.34Å; D208-L211 VanDerWaalsContact O-N 3.1Å
209S76.6Confident85Confident14 Ų1441.7 Ų41.710%0.09825%0.253CS..G310 helixtrans-56.2-21.8177.762.30000114T197 Q201 L207 L211 I212T197-S209 WeakPolarHBondContact CG2-O 3.3Å; Q201-S209 WeakPolarHBondContact CA-OG 3.49Å; L207-S209 PolarHBondContact O-N 3.42Å; L207-S209 VanDerWaalsContact O-N 3.1Å; S209-L211 PolarHBondContact O-N 3.46Å; S209-I212 WeakPolarHBondContact O-CB 3.38Å; S209-I212 PolarHBondContact O-N 3.45Å; S209-I212 VanDerWaalsContact O-N 3.16Å
210S76.1Confident85.3Confident71 Ų7138.3 Ų38.350%0.49724%0.24SC..G310 helixtrans-69.2-17.6179.376.30000113.2D208 I212D208-S210 PolarHBondContact O-N 3.36Å; D208-S210 VanDerWaalsContact O-N 3.08Å; D208-S210 VanDerWaalsContact OD1-CB 3.25Å; D208-S210 WeakPolarHBondContact OD1-CB 3.36Å; D208-S210 PolarHBondContact OD1-N 2.7Å; D208-S210 PolarHBondContact OD1-OG 2.95Å; D208-S210 PolarHBondContact OD2-OG 3.3Å; D208-S210 VanDerWaalsContact OD2-OG 3.1Å; S210-I212 VanDerWaalsContact C-N 3.34Å
211L78.9Confident85.8Confident67 Ų6738.3 Ų38.335%0.35124%0.24SC..G310 helixtrans-78.4-19.8175.7-58178000112.4D208 S209 S213 Y526 L540D208-L211 HydrophobicContact CB-CD1 3.9Å; D208-L211 HydrophobicContact CB-CG 4.02Å; D208-L211 WeakPolarHBondContact O-CB 3.41Å; D208-L211 PolarHBondContact O-N 3.34Å; D208-L211 VanDerWaalsContact O-N 3.1Å; S209-L211 PolarHBondContact O-N 3.46Å; L211-S213 PolarHBondContact O-N 3.4Å; L211-Y526 PolarHBondContact O-OH 3.18Å; L211-L540 HydrophobicContact CB-CD2 4.11Å
212I91.6Very high86.4Confident0 Ų032.6 Ų32.60%021%0.213CC..  trans-73.5125.9-178.2-57.3173.2000110Q196 T197 F200 L207 S209 S210 L540 L544 M607Q196-I212 HydrophobicContact CB-CG2 3.8Å; T197-I212 HydrophobicContact CG2-CB 4.47Å; T197-I212 WeakPolarHBondContact CG2-O 3.41Å; F200-I212 HydrophobicContact CB-CD1 4.06Å; F200-I212 HydrophobicContact CD2-CD1 3.72Å; F200-I212 HydrophobicContact CG-CD1 4.14Å; L207-I212 HydrophobicContact CD1-CD1 4.34Å; L207-I212 HydrophobicContact CD2-CD1 4.08Å; L207-I212 HydrophobicContact CG-CD1 4.47Å; S209-I212 WeakPolarHBondContact O-CB 3.38Å; S209-I212 PolarHBondContact O-N 3.45Å; S209-I212 VanDerWaalsContact O-N 3.16Å; S210-I212 VanDerWaalsContact C-N 3.34Å; I212-L540 HydrophobicContact CG1-CD1 4.27Å; I212-L544 HydrophobicContact CG2-CD2 3.93Å; I212-M607 HydrophobicContact CD1-CE 3.89Å; I212-M607 HydrophobicContact CG1-CE 4.48Å
213S95.3Very high87.5Confident5 Ų529.2 Ų29.24%0.03518%0.179CC..  trans-150.3145.8177.164.70000111.5T193 L211 Q218 Y526T193-S213 WeakPolarHBondContact OG1-CA 3.4Å; L211-S213 PolarHBondContact O-N 3.4Å; S213-Q218 PolarHBondContact O-NE2 3.49Å; S213-Q218 VanDerWaalsContact O-NE2 3.14Å; S213-Q218 PolarHBondContact OG-NE2 2.93Å; S213-Y526 WeakPolarHBondContact CA-OH 3.46Å; S213-Y526 PolarHBondContact N-OH 2.92Å; S213-Y526 PolarHBondContact O-OH 2.75Å; S213-Y526 PolarHBondContact OG-OH 3.01Å
214F97.8Very high88.3Confident6 Ų625.6 Ų25.63%0.02616%0.163CC..  trans-114.8142.4172.1178.8-91.8000109.2I188 G189 F192 T193 Q218 T219 Y548 L555I188-F214 HydrophobicContact CG2-CD1 4.28Å; I188-F214 HydrophobicContact CG2-CE1 3.73Å; G189-F214 WeakPolarHBondContact CA-O 3.47Å; F192-F214 HydrophobicContact CB-CB 3.48Å; F192-F214 VanDerWaalsContact CB-CB 3.48Å; F192-F214 HydrophobicContact CB-CD1 3.53Å; F192-F214 HydrophobicContact CB-CE1 4.43Å; F192-F214 HydrophobicContact CB-CG 3.59Å; F192-F214 HydrophobicContact CD1-CD1 4.39Å; F192-F214 HydrophobicContact CD1-CG 4.37Å; F192-F214 AromaticContact CD2-CD1 3.94Å; F192-F214 HydrophobicContact CD2-CD1 3.94Å; F192-F214 HydrophobicContact CD2-CE1 4.06Å; F192-F214 HydrophobicContact CE2-CE1 4.47Å; F192-F214 HydrophobicContact CG-CB 4.4Å; F192-F214 AromaticContact CG-CD1 3.72Å; F192-F214 HydrophobicContact CG-CD1 3.72Å; F192-F214 HydrophobicContact CG-CE1 4.14Å; F192-F214 AromaticContact CG-CG 4Å; F192-F214 HydrophobicContact CG-CG 4Å; T193-F214 PolarHBondContact OG1-N 2.83Å; T193-F214 PolarHBondContact OG1-O 2.81Å; F214-Q218 VanDerWaalsContact C-NE2 3.29Å; F214-T219 HydrophobicContact CD2-CG2 4.2Å; F214-T219 VanDerWaalsContact CD2-OG1 3.23Å; F214-T219 WeakPolarHBondContact CD2-OG1 3.44Å; F214-T219 HydrophobicContact CE2-CG2 3.91Å; F214-T219 WeakPolarHBondContact CE2-OG1 3.28Å; F214-Y548 HydrophobicContact CD2-CD1 4.44Å; F214-Y548 AromaticContact CD2-CE1 3.85Å; F214-Y548 HydrophobicContact CD2-CE1 3.85Å; F214-Y548 HydrophobicContact CD2-CE2 4.07Å; F214-Y548 AromaticContact CD2-CZ 3.66Å; F214-Y548 HydrophobicContact CE2-CE1 4.44Å; F214-L555 HydrophobicContact CE2-CB 4.3Å; F214-L555 HydrophobicContact CE2-CD2 4.46Å; F214-L555 HydrophobicContact CZ-CD2 4.12Å
215G96.3Very high89.3Confident8 Ų824.8 Ų24.88%0.08216%0.16CC..  trans-146.7138.1171.100000109.9C217 Q218 T219G215-C217 PolarHBondContact O-N 2.91Å; G215-C217 VanDerWaalsContact O-N 3.11Å; G215-Q218 PolarHBondContact O-N 3.02Å; G215-T219 PolarHBondContact N-OG1 2.93Å; G215-T219 WeakPolarHBondContact O-CB 3.22Å; G215-T219 PolarHBondContact O-N 3Å; G215-T219 PolarHBondContact O-OG1 2.85Å; G215-T219 VanDerWaalsContact O-OG1 3.09Å
216P95.8Very high91Very high11 Ų1121.3 Ų21.37%0.07112%0.123CC..THydrogen-bonded Turntrans-63-22.7-171.125.3-35.6000113.9D185 I188 P220 F589D185-P216 WeakPolarHBondContact OD1-CG 3.44Å; I188-P216 HydrophobicContact CG2-CB 4.4Å; P216-P220 WeakPolarHBondContact O-CD 3.42Å; P216-P220 WeakPolarHBondContact O-CG 3.41Å; P216-F589 HydrophobicContact CB-CZ 4.48Å
217C97.1Very high92.3Very high2 Ų220 Ų201%0.01411%0.114CC..THydrogen-bonded Turntrans-103.6-35.5170.5-161.70000113.5G215 T219 P220 T221 H517 R561G215-C217 PolarHBondContact O-N 2.91Å; G215-C217 VanDerWaalsContact O-N 3.11Å; C217-T219 VanDerWaalsContact C-N 3.3Å; C217-T219 PolarHBondContact O-N 3.25Å; C217-P220 WeakPolarHBondContact O-CD 3.41Å; C217-T221 PolarHBondContact O-N 3.45Å; C217-T221 VanDerWaalsContact O-N 3.14Å; C217-T221 PolarHBondContact O-OG1 2.84Å; C217-H517 PolarHBondContact SG-CD2 2.65Å; C217-R561 HydrophobicContact CB-CG 4.15Å
218Q96.4Very high93.5Very high19 Ų1921.5 Ų21.59%0.08912%0.118CC..Hα-helixtrans-63.8-36.2-178.387-17712.100112.2S213 F214 G215 T221 L222 I521S213-Q218 PolarHBondContact O-NE2 3.49Å; S213-Q218 VanDerWaalsContact O-NE2 3.14Å; S213-Q218 PolarHBondContact OG-NE2 2.93Å; F214-Q218 VanDerWaalsContact C-NE2 3.29Å; G215-Q218 PolarHBondContact O-N 3.02Å; Q218-T221 PolarHBondContact O-N 3.17Å; Q218-L222 PolarHBondContact O-N 3.07Å; Q218-I521 HydrophobicContact CB-CG2 4.08Å; Q218-I521 WeakPolarHBondContact O-CG2 3.49Å
219T98.3Very high94.5Very high4 Ų418.8 Ų18.83%0.02510%0.103CC..Hα-helixtrans-69.9-46-176.9-55.90000111.1F214 G215 C217 T221 L222 G223 Y548 L555 V556F214-T219 HydrophobicContact CD2-CG2 4.2Å; F214-T219 VanDerWaalsContact CD2-OG1 3.23Å; F214-T219 WeakPolarHBondContact CD2-OG1 3.44Å; F214-T219 HydrophobicContact CE2-CG2 3.91Å; F214-T219 WeakPolarHBondContact CE2-OG1 3.28Å; G215-T219 PolarHBondContact N-OG1 2.93Å; G215-T219 WeakPolarHBondContact O-CB 3.22Å; G215-T219 PolarHBondContact O-N 3Å; G215-T219 PolarHBondContact O-OG1 2.85Å; G215-T219 VanDerWaalsContact O-OG1 3.09Å; C217-T219 VanDerWaalsContact C-N 3.3Å; C217-T219 PolarHBondContact O-N 3.25Å; T219-T221 PolarHBondContact O-N 3.43Å; T219-L222 PolarHBondContact O-N 3.26Å; T219-G223 PolarHBondContact O-N 3.43Å; T219-Y548 HydrophobicContact CG2-CD2 3.72Å; T219-Y548 HydrophobicContact CG2-CE2 4.01Å; T219-Y548 HydrophobicContact CG2-CG 4.49Å; T219-L555 WeakPolarHBondContact CG2-O 3.5Å; T219-V556 HydrophobicContact CG2-CG2 4.4Å
220P98.5Very high95.2Very high4 Ų420.8 Ų20.83%0.02611%0.113CC..Hα-helixtrans-60.6-38.4169.6-27.535000115P216 C217 L222 G223 F224 I508 V556 P558P216-P220 WeakPolarHBondContact O-CD 3.42Å; P216-P220 WeakPolarHBondContact O-CG 3.41Å; C217-P220 WeakPolarHBondContact O-CD 3.41Å; P220-L222 PolarHBondContact O-N 3.1Å; P220-G223 WeakPolarHBondContact O-CA 3.19Å; P220-G223 PolarHBondContact O-N 3.27Å; P220-G223 VanDerWaalsContact O-N 3.07Å; P220-F224 PolarHBondContact O-N 3.36Å; P220-I508 HydrophobicContact CB-CD1 3.97Å; P220-V556 WeakPolarHBondContact CA-O 3.5Å; P220-V556 WeakPolarHBondContact CB-O 3.35Å; P220-P558 HydrophobicContact CB-CB 4.38Å
221T98.6Very high96Very high0 Ų022.3 Ų22.30%011%0.11CC..Hα-helixtrans-59.7-45.4174.5-60.10000111.5C217 Q218 T219 G223 F224 L499 M503 I518 I521C217-T221 PolarHBondContact O-N 3.45Å; C217-T221 VanDerWaalsContact O-N 3.14Å; C217-T221 PolarHBondContact O-OG1 2.84Å; Q218-T221 PolarHBondContact O-N 3.17Å; T219-T221 PolarHBondContact O-N 3.43Å; T221-G223 VanDerWaalsContact C-N 3.29Å; T221-G223 PolarHBondContact O-N 3.44Å; T221-F224 PolarHBondContact O-N 3.44Å; T221-L499 HydrophobicContact CG2-CD1 4.19Å; T221-L499 HydrophobicContact CG2-CD2 3.84Å; T221-L499 HydrophobicContact CG2-CG 4.29Å; T221-M503 HydrophobicContact CG2-CE 4.37Å; T221-M503 HydrophobicContact CG2-SD 3.58Å; T221-M503 VanDerWaalsContact CG2-SD 3.58Å; T221-M503 WeakPolarHBondContact OG1-CE 3.29Å; T221-I518 HydrophobicContact CG2-CG1 4.17Å; T221-I521 HydrophobicContact CG2-CD1 3.92Å
222L98.8Very high96.6Very high4 Ų420.4 Ų20.42%0.02110%0.1CC..Hα-helixtrans-63.9-36172.6179.462.8000112Q218 T219 P220 F224 C225 V226 I521 Y526 V527 V545Q218-L222 PolarHBondContact O-N 3.07Å; T219-L222 PolarHBondContact O-N 3.26Å; P220-L222 PolarHBondContact O-N 3.1Å; L222-F224 VanDerWaalsContact C-N 3.29Å; L222-F224 PolarHBondContact O-N 3.38Å; L222-C225 WeakPolarHBondContact O-CB 3.5Å; L222-C225 PolarHBondContact O-N 2.66Å; L222-V226 HydrophobicContact CD1-CG2 4.33Å; L222-V226 HydrophobicContact CG-CG2 4.32Å; L222-V226 PolarHBondContact O-N 3.11Å; L222-I521 HydrophobicContact CB-CG2 4.16Å; L222-Y526 HydrophobicContact CD2-CD2 3.76Å; L222-Y526 HydrophobicContact CD2-CE2 4.49Å; L222-Y526 HydrophobicContact CD2-CG 3.94Å; L222-V527 HydrophobicContact CD1-CG1 3.68Å; L222-V545 HydrophobicContact CB-CG2 4.28Å; L222-V545 HydrophobicContact CD2-CG2 3.72Å; L222-V545 HydrophobicContact CG-CG2 3.63Å
223G98.6Very high96.5Very high6 Ų626.3 Ų26.36%0.06213%0.128CC..Hα-helixtrans-52.1-43.9176.700000113T219 P220 T221 C225 V226 E227T219-G223 PolarHBondContact O-N 3.43Å; P220-G223 WeakPolarHBondContact O-CA 3.19Å; P220-G223 PolarHBondContact O-N 3.27Å; P220-G223 VanDerWaalsContact O-N 3.07Å; T221-G223 VanDerWaalsContact C-N 3.29Å; T221-G223 PolarHBondContact O-N 3.44Å; G223-C225 PolarHBondContact O-N 3.06Å; G223-V226 PolarHBondContact O-N 3.41Å; G223-E227 WeakPolarHBondContact O-CB 3.43Å; G223-E227 PolarHBondContact O-N 3.07Å
224F98.8Very high96.1Very high10 Ų1030.3 Ų30.34%0.04416%0.155CC..Hα-helixtrans-61.6-40.9176.2-68.1-52.4000113.1P220 T221 L222 E227 R228 L494 L499 L502 M503 H506 I508 P558P220-F224 PolarHBondContact O-N 3.36Å; T221-F224 PolarHBondContact O-N 3.44Å; L222-F224 VanDerWaalsContact C-N 3.29Å; L222-F224 PolarHBondContact O-N 3.38Å; F224-E227 PolarHBondContact O-N 3.24Å; F224-R228 PolarHBondContact O-N 2.91Å; F224-L494 HydrophobicContact CB-CD1 3.9Å; F224-L494 WeakPolarHBondContact O-CD1 3.43Å; F224-L499 HydrophobicContact CB-CD1 3.75Å; F224-L499 HydrophobicContact CD2-CD1 3.86Å; F224-L499 HydrophobicContact CG-CD1 4.25Å; F224-L502 HydrophobicContact CB-CD1 4.09Å; F224-L502 HydrophobicContact CD1-CB 4.36Å; F224-L502 HydrophobicContact CD1-CD1 4.17Å; F224-L502 HydrophobicContact CD2-CB 4.16Å; F224-L502 HydrophobicContact CE1-CB 4.4Å; F224-L502 HydrophobicContact CE2-CB 4.18Å; F224-L502 HydrophobicContact CG-CB 4.24Å; F224-L502 HydrophobicContact CG-CD1 4.15Å; F224-L502 HydrophobicContact CZ-CB 4.3Å; F224-M503 HydrophobicContact CD2-CG 4.47Å; F224-M503 HydrophobicContact CE2-CG 4.27Å; F224-H506 AromaticContact CE1-CD2 3.77Å; F224-H506 HydrophobicContact CZ-CB 3.98Å; F224-H506 AromaticContact CZ-CD2 3.59Å; F224-H506 AromaticContact CZ-CG 3.81Å; F224-I508 HydrophobicContact CE2-CD1 3.95Å; F224-P558 HydrophobicContact CE1-CG 4.23Å; F224-P558 HydrophobicContact CZ-CB 4.08Å; F224-P558 HydrophobicContact CZ-CG 3.82Å
225C98.7Very high95.8Very high0 Ų033.3 Ų33.30%017%0.169CC..Hα-helixtrans-65.9-42.6178.4-60.50000111.5L222 G223 R228 H229 V527 P537L222-C225 WeakPolarHBondContact O-CB 3.5Å; L222-C225 PolarHBondContact O-N 2.66Å; G223-C225 PolarHBondContact O-N 3.06Å; C225-R228 PolarHBondContact O-N 2.77Å; C225-H229 PolarHBondContact O-N 3.23Å; C225-V527 HydrophobicContact CB-CG1 4.11Å; C225-P537 HydrophobicContact CB-CG 3.94Å; C225-P537 WeakPolarHBondContact O-CG 3.44Å
226V98.4Very high95.6Very high0 Ų041.2 Ų41.20%020%0.201CC..Hα-helixtrans-70.6-38.2177.6177.80000111.3L222 G223 R228 H229 D230 P537 I542 V545L222-V226 HydrophobicContact CD1-CG2 4.33Å; L222-V226 HydrophobicContact CG-CG2 4.32Å; L222-V226 PolarHBondContact O-N 3.11Å; G223-V226 PolarHBondContact O-N 3.41Å; V226-R228 VanDerWaalsContact C-N 3.28Å; V226-R228 PolarHBondContact O-N 3.39Å; V226-H229 WeakPolarHBondContact O-CA 3.49Å; V226-H229 WeakPolarHBondContact O-CB 3.49Å; V226-H229 PolarHBondContact O-N 2.89Å; V226-D230 PolarHBondContact O-N 3.22Å; V226-P537 HydrophobicContact CG2-CB 3.98Å; V226-P537 HydrophobicContact CG2-CG 4.05Å; V226-I542 HydrophobicContact CG1-CG2 4.46Å; V226-I542 HydrophobicContact CG2-CG1 4.39Å; V226-V545 HydrophobicContact CB-CB 3.99Å; V226-V545 HydrophobicContact CB-CG1 3.86Å; V226-V545 HydrophobicContact CB-CG2 4.15Å; V226-V545 HydrophobicContact CG1-CB 3.97Å; V226-V545 HydrophobicContact CG1-CG1 3.81Å; V226-V545 HydrophobicContact CG2-CB 3.9Å; V226-V545 HydrophobicContact CG2-CG1 4.32Å; V226-V545 HydrophobicContact CG2-CG2 3.73Å
227E98.4Very high95.6Very high88 Ų8843.6 Ų43.641%0.41122%0.216SC..Hα-helixtrans-59.1-41173.4-172-165.516900111.4G223 F224 D230 K231G223-E227 WeakPolarHBondContact O-CB 3.43Å; G223-E227 PolarHBondContact O-N 3.07Å; F224-E227 PolarHBondContact O-N 3.24Å; E227-D230 PolarHBondContact O-N 3.39Å; E227-K231 WeakPolarHBondContact O-CG 3.3Å; E227-K231 PolarHBondContact O-N 3.46Å; E227-K231 VanDerWaalsContact O-N 3.11Å; E227-K231 WeakPolarHBondContact OE1-CE 3.46Å; E227-K231 IonicContact OE1-NZ 3.51Å; E227-K231 PolarHBondContact OE1-NZ 3.42Å
228R98.1Very high95.5Very high48 Ų4849.1 Ų49.118%0.18124%0.242CC..Hα-helixtrans-65-42.7173.3179.762.370.380.9-2.2111.3F224 C225 V226 D230 K231 I232 D492 L494 E498F224-R228 PolarHBondContact O-N 2.91Å; C225-R228 PolarHBondContact O-N 2.77Å; V226-R228 VanDerWaalsContact C-N 3.28Å; V226-R228 PolarHBondContact O-N 3.39Å; R228-D230 PolarHBondContact O-N 3.16Å; R228-K231 PolarHBondContact O-N 2.85Å; R228-I232 HydrophobicContact CG-CD1 4.08Å; R228-I232 VanDerWaalsContact O-CG1 3.25Å; R228-I232 WeakPolarHBondContact O-CG1 3.3Å; R228-I232 PolarHBondContact O-N 3.3Å; R228-I232 VanDerWaalsContact O-N 3.07Å; R228-D492 WeakPolarHBondContact CD-O 3.39Å; R228-D492 WeakPolarHBondContact CG-O 3.24Å; R228-D492 PolarHBondContact NH1-O 3.04Å; R228-L494 HydrophobicContact CB-CD1 4.27Å; R228-L494 HydrophobicContact CB-CG 3.84Å; R228-L494 HydrophobicContact CG-CG 4.04Å; R228-E498 IonicContact CZ-OE1 2.74Å; R228-E498 IonicContact NH1-OE1 2.66Å; R228-E498 PolarHBondContact NH1-OE1 2.98Å; R228-E498 VanDerWaalsContact NH1-OE1 3.1Å; R228-E498 IonicContact NH1-OE2 3.44Å; R228-E498 IonicContact NH2-OE1 2.63Å; R228-E498 PolarHBondContact NH2-OE1 3.12Å
229H96.9Very high95.6Very high27 Ų2750.5 Ų50.513%0.12525%0.252CS..Hα-helixtrans-56.7-48.2175.217278.6000111.7C225 V226 K231 I232 Q233 Y493 P537C225-H229 PolarHBondContact O-N 3.23Å; V226-H229 WeakPolarHBondContact O-CA 3.49Å; V226-H229 WeakPolarHBondContact O-CB 3.49Å; V226-H229 PolarHBondContact O-N 2.89Å; H229-K231 VanDerWaalsContact C-N 3.32Å; H229-K231 PolarHBondContact O-N 2.88Å; H229-I232 WeakPolarHBondContact O-CA 3.34Å; H229-I232 WeakPolarHBondContact O-CB 3.41Å; H229-I232 PolarHBondContact O-N 3.49Å; H229-Q233 WeakPolarHBondContact NE2-CG 3.24Å; H229-Q233 WeakPolarHBondContact O-CG 3.42Å; H229-Q233 PolarHBondContact O-N 2.9Å; H229-Y493 HydrophobicContact CB-CE1 3.89Å; H229-Y493 AromaticContact ND1-CE1 3.59Å; H229-Y493 AromaticContact ND1-CZ 3.89Å; H229-Y493 PolarHBondContact ND1-OH 2.91Å; H229-P537 HydrophobicContact CB-CG 4Å
230D91.8Very high95.6Very high57 Ų5752.2 Ų52.231%0.30526%0.258SS..Hα-helixtrans-63.2-38.6-179.4-65.2-20.6000112V226 E227 R228 I232 Q233 S234 H546V226-D230 PolarHBondContact O-N 3.22Å; E227-D230 PolarHBondContact O-N 3.39Å; R228-D230 PolarHBondContact O-N 3.16Å; D230-I232 VanDerWaalsContact C-N 3.29Å; D230-I232 PolarHBondContact O-N 2.81Å; D230-Q233 PolarHBondContact O-N 2.78Å; D230-S234 WeakPolarHBondContact O-CB 3.38Å; D230-S234 PolarHBondContact O-N 3.45Å; D230-S234 PolarHBondContact O-OG 2.85Å; D230-H546 VanDerWaalsContact CG-NE2 3.28Å; D230-H546 IonicContact OD1-CE1 3.34Å; D230-H546 PolarHBondContact OD1-CE1 3.09Å; D230-H546 VanDerWaalsContact OD1-CE1 3.29Å; D230-H546 IonicContact OD1-NE2 2.65Å; D230-H546 PolarHBondContact OD1-NE2 3.2Å; D230-H546 IonicContact OD2-CD2 3.83Å; D230-H546 IonicContact OD2-CE1 3.98Å; D230-H546 IonicContact OD2-NE2 3.1Å; D230-H546 PolarHBondContact OD2-NE2 2.84Å
231K92.1Very high95.6Very high102 Ų10253 Ų5344%0.44326%0.26SS..Hα-helixtrans-62.3-35172.9-75.4169.6-177.7165.10112.5E227 R228 H229 F235E227-K231 WeakPolarHBondContact O-CG 3.3Å; E227-K231 PolarHBondContact O-N 3.46Å; E227-K231 VanDerWaalsContact O-N 3.11Å; E227-K231 WeakPolarHBondContact OE1-CE 3.46Å; E227-K231 IonicContact OE1-NZ 3.51Å; E227-K231 PolarHBondContact OE1-NZ 3.42Å; R228-K231 PolarHBondContact O-N 2.85Å; H229-K231 VanDerWaalsContact C-N 3.32Å; H229-K231 PolarHBondContact O-N 2.88Å; K231-F235 WeakPolarHBondContact O-CB 3.38Å; K231-F235 PolarHBondContact O-N 2.82Å
232I91.4Very high95.6Very high28 Ų2853.9 Ų53.914%0.14427%0.266CS..Hα-helixtrans-71.1-47.1176-64.4167.3000110.3R228 H229 D230 S234 F235 P490 P491 Y493R228-I232 HydrophobicContact CG-CD1 4.08Å; R228-I232 VanDerWaalsContact O-CG1 3.25Å; R228-I232 WeakPolarHBondContact O-CG1 3.3Å; R228-I232 PolarHBondContact O-N 3.3Å; R228-I232 VanDerWaalsContact O-N 3.07Å; H229-I232 WeakPolarHBondContact O-CA 3.34Å; H229-I232 WeakPolarHBondContact O-CB 3.41Å; H229-I232 PolarHBondContact O-N 3.49Å; D230-I232 VanDerWaalsContact C-N 3.29Å; D230-I232 PolarHBondContact O-N 2.81Å; I232-S234 VanDerWaalsContact C-N 3.34Å; I232-S234 PolarHBondContact O-N 3.23Å; I232-F235 WeakPolarHBondContact O-CB 3.25Å; I232-F235 PolarHBondContact O-N 3.49Å; I232-P490 HydrophobicContact CG2-CB 4.46Å; I232-P491 HydrophobicContact CG1-CG 3.97Å; I232-P491 VanDerWaalsContact CG1-O 3.28Å; I232-P491 WeakPolarHBondContact CG1-O 3.31Å; I232-Y493 HydrophobicContact CD1-CD1 3.91Å; I232-Y493 HydrophobicContact CD1-CD2 4.31Å; I232-Y493 HydrophobicContact CD1-CE1 4.02Å; I232-Y493 HydrophobicContact CD1-CE2 4.42Å; I232-Y493 HydrophobicContact CD1-CG 4.06Å
233Q89.6Confident95.5Very high124 Ų12453.9 Ų53.958%0.57927%0.266SS*.Hα-helixtrans-66.2-35.4-177.6-64.9-52.4-58.500112.9H229 D230H229-Q233 WeakPolarHBondContact NE2-CG 3.24Å; H229-Q233 WeakPolarHBondContact O-CG 3.42Å; H229-Q233 PolarHBondContact O-N 2.9Å; D230-Q233 PolarHBondContact O-N 2.78Å
234S88.2Confident95.3Very high88 Ų8854.9 Ų54.962%0.61527%0.269SS*.THydrogen-bonded Turntrans-87.1-6.2-179.859.90000114.1D230 I232 K236D230-S234 WeakPolarHBondContact O-CB 3.38Å; D230-S234 PolarHBondContact O-N 3.45Å; D230-S234 PolarHBondContact O-OG 2.85Å; I232-S234 VanDerWaalsContact C-N 3.34Å; I232-S234 PolarHBondContact O-N 3.23Å; S234-K236 PolarHBondContact O-N 3.13Å
235F90.1Very high95.2Very high69 Ų6954.4 Ų54.430%0.30327%0.267SS..  trans-66.5130.5-178.9-174-98.3000111.3K231 I232 P237 T488 S489 P490K231-F235 WeakPolarHBondContact O-CB 3.38Å; K231-F235 PolarHBondContact O-N 2.82Å; I232-F235 WeakPolarHBondContact O-CB 3.25Å; I232-F235 PolarHBondContact O-N 3.49Å; F235-P237 HydrophobicContact CD1-CG 3.89Å; F235-P237 HydrophobicContact CE1-CB 4.07Å; F235-P237 HydrophobicContact CE1-CG 3.83Å; F235-T488 WeakPolarHBondContact CE1-O 3.36Å; F235-T488 WeakPolarHBondContact CZ-OG1 3.37Å; F235-S489 VanDerWaalsContact CE1-C 3.48Å; F235-S489 WeakPolarHBondContact CZ-O 3.46Å; F235-P490 HydrophobicContact CB-CB 3.98Å; F235-P490 HydrophobicContact CD1-CB 3.58Å; F235-P490 HydrophobicContact CD1-CG 4.26Å; F235-P490 HydrophobicContact CE1-CB 4.16Å; F235-P490 VanDerWaalsContact CE1-N 3.31Å; F235-P490 HydrophobicContact CG-CB 3.79Å
236K92.9Very high95.2Very high174 Ų17457.5 Ų57.576%0.75728%0.28SS*.  trans-112.1107.7174.4-66.8-175.4-178.41790108.8S234 E238S234-K236 PolarHBondContact O-N 3.13Å; K236-E238 PolarHBondContact O-N 3.34Å
237P95.8Very high95Very high61 Ų6157.5 Ų57.540%0.39628%0.28SS..  trans-61129.3179.5-25.335000112.4F235 Q487 T488F235-P237 HydrophobicContact CD1-CG 3.89Å; F235-P237 HydrophobicContact CE1-CB 4.07Å; F235-P237 HydrophobicContact CE1-CG 3.83Å; P237-Q487 VanDerWaalsContact CB-CD 3.45Å; P237-Q487 HydrophobicContact CB-CG 3.63Å; P237-T488 WeakPolarHBondContact CB-O 3.46Å
238E95.8Very high94.8Very high118 Ų11856.3 Ų56.355%0.55128%0.277SS*.  trans-105135.8176-67-178.4176.300110.4K236 F265 Q487 T488K236-E238 PolarHBondContact O-N 3.34Å; E238-F265 HydrophobicContact CB-CD1 4.12Å; E238-F265 HydrophobicContact CB-CE1 4.08Å; E238-Q487 WeakPolarHBondContact O-CA 3.37Å; E238-T488 PolarHBondContact N-OG1 3.18Å; E238-T488 PolarHBondContact O-N 2.7Å; E238-T488 PolarHBondContact O-OG1 3.05Å
239T97.9Very high94.4Very high49 Ų4954.6 Ų54.630%0.30127%0.272SS..EExtended strand (participates in β ladder)trans-74.6136.4174.8-55.80000109.7W241 F265 E485 K486T239-W241 HydrophobicContact CG2-CH2 3.75Å; T239-W241 HydrophobicContact CG2-CZ2 3.59Å; T239-W241 HydrophobicContact CG2-CZ3 4.35Å; T239-F265 WeakPolarHBondContact O-CD1 3.36Å; T239-E485 HydrophobicContact CG2-CG 3.58Å; T239-K486 CarbonylContact C-O 3.51Å; T239-K486 WeakPolarHBondContact CA-O 3.27Å
240Y98.3Very high93.8Very high40 Ų4060.1 Ų60.116%0.15730%0.302CS..EExtended strand (participates in β ladder)trans-139.9155.7174.469.9-90.6000110.8V242 R263 V264 F265 K486 Q487 T488Y240-V242 HydrophobicContact CD2-CG2 3.81Å; Y240-V242 HydrophobicContact CE2-CG2 3.57Å; Y240-R263 HydrophobicContact CD2-CB 3.73Å; Y240-R263 HydrophobicContact CD2-CG 4.35Å; Y240-R263 HydrophobicContact CE2-CB 4.3Å; Y240-V264 CarbonylContact C-O 3.51Å; Y240-V264 VanDerWaalsContact CA-O 3.27Å; Y240-V264 WeakPolarHBondContact CA-O 3.23Å; Y240-V264 WeakPolarHBondContact CB-O 2.92Å; Y240-F265 HydrophobicContact CD1-CE1 4.42Å; Y240-F265 HydrophobicContact CG-CE1 4.44Å; Y240-K486 HydrophobicContact CD1-CB 4.25Å; Y240-K486 HydrophobicContact CD2-CB 4.11Å; Y240-K486 HydrophobicContact CE1-CB 3.74Å; Y240-K486 HydrophobicContact CE2-CB 3.62Å; Y240-K486 HydrophobicContact CE2-CD 3.97Å; Y240-K486 HydrophobicContact CE2-CG 4.32Å; Y240-K486 HydrophobicContact CG-CB 4.43Å; Y240-K486 PolarHBondContact N-O 3.41Å; Y240-K486 PolarHBondContact O-N 2.83Å; Y240-Q487 VanDerWaalsContact CE1-C 3.43Å; Y240-T488 HydrophobicContact CD1-CG2 3.85Å; Y240-T488 HydrophobicContact CE1-CG2 4.05Å
241W98.4Very high93.4Very high19 Ų1966.4 Ų66.47%0.07233%0.327CS..EExtended strand (participates in β ladder)trans-115.8140.5-179.9-62.4-90.7000111T239 R263 V264 F265 R267 A270 M483 L484 E485T239-W241 HydrophobicContact CG2-CH2 3.75Å; T239-W241 HydrophobicContact CG2-CZ2 3.59Å; T239-W241 HydrophobicContact CG2-CZ3 4.35Å; W241-R263 VanDerWaalsContact O-CA 3.31Å; W241-R263 WeakPolarHBondContact O-CA 3.32Å; W241-V264 HydrophobicContact CB-CG2 4.18Å; W241-V264 PolarHBondContact N-O 3.48Å; W241-V264 PolarHBondContact O-N 3.46Å; W241-F265 WeakPolarHBondContact CZ3-O 3.38Å; W241-R267 HydrophobicContact CH2-CB 3.54Å; W241-R267 HydrophobicContact CH2-CG 4.1Å; W241-R267 HydrophobicContact CZ2-CB 3.76Å; W241-R267 HydrophobicContact CZ2-CG 3.76Å; W241-R267 HydrophobicContact CZ3-CB 3.98Å; W241-A270 HydrophobicContact CB-CB 3.58Å; W241-A270 HydrophobicContact CD2-CB 4.01Å; W241-A270 HydrophobicContact CE3-CB 4.21Å; W241-A270 HydrophobicContact CG-CB 3.75Å; W241-M483 HydrophobicContact CB-CG 3.98Å; W241-M483 HydrophobicContact CB-SD 4.17Å; W241-M483 HydrophobicContact CG-CG 4.31Å; W241-M483 HydrophobicContact CG-SD 4.22Å; W241-L484 CarbonylContact C-O 3.2Å; W241-L484 VanDerWaalsContact CA-O 3.28Å; W241-L484 WeakPolarHBondContact CA-O 3.41Å; W241-E485 HydrophobicContact CZ2-CG 4.45Å; W241-E485 PolarHBondContact NE1-OE2 2.86Å
242V98.2Very high92.8Very high20 Ų2069.2 Ų69.212%0.12135%0.347CS..EExtended strand (participates in β ladder)trans-123.3119.8175.5-179.40000108.1Y240 Q244 V262 R263 L484Y240-V242 HydrophobicContact CD2-CG2 3.81Å; Y240-V242 HydrophobicContact CE2-CG2 3.57Å; V242-Q244 HydrophobicContact CG1-CG 4.13Å; V242-V262 WeakPolarHBondContact CG1-O 3.25Å; V242-R263 HydrophobicContact CG2-CB 4.04Å; V242-L484 PolarHBondContact N-O 2.87Å; V242-L484 PolarHBondContact O-N 3.11Å
243L97.6Very high92.6Very high3 Ų371.2 Ų71.22%0.01635%0.352CS..EExtended strand (participates in β ladder)trans-76133.3170.6-164.361000108.9W259 F273 L274 T277 F440 V481 M483L243-W259 HydrophobicContact CB-CB 4.39Å; L243-W259 HydrophobicContact CB-CD2 3.68Å; L243-W259 HydrophobicContact CB-CE3 3.75Å; L243-W259 HydrophobicContact CB-CG 4.03Å; L243-W259 HydrophobicContact CB-CH2 4.48Å; L243-W259 HydrophobicContact CB-CZ2 4.44Å; L243-W259 HydrophobicContact CB-CZ3 4.16Å; L243-W259 HydrophobicContact CD2-CZ2 4.46Å; L243-W259 VanDerWaalsContact O-CB 3.27Å; L243-W259 WeakPolarHBondContact O-CB 3.49Å; L243-F273 HydrophobicContact CD2-CB 4.22Å; L243-L274 HydrophobicContact CD1-CB 4.26Å; L243-L274 HydrophobicContact CD1-CD1 3.89Å; L243-T277 HydrophobicContact CD2-CG2 4.09Å; L243-F440 HydrophobicContact CB-CE1 4.45Å; L243-F440 HydrophobicContact CD2-CE1 4.34Å; L243-F440 HydrophobicContact CD2-CZ 3.66Å; L243-F440 HydrophobicContact CG-CE1 4.16Å; L243-F440 HydrophobicContact CG-CZ 3.89Å; L243-V481 HydrophobicContact CD1-CG1 3.97Å; L243-V481 HydrophobicContact CG-CG1 4.5Å; L243-M483 HydrophobicContact CD1-CB 4.43Å
244Q94.9Very high92.7Very high28 Ų2868.2 Ų68.213%0.13135%0.345CS..EExtended strand (participates in β ladder)trans-132.3133.5175.5-70.8-169.3-22.500109.5V242 L256 K482 L484V242-Q244 HydrophobicContact CG1-CG 4.13Å; Q244-L256 HydrophobicContact CB-CD1 4.33Å; Q244-K482 HydrophobicContact CB-CG 4.24Å; Q244-K482 PolarHBondContact N-O 3.32Å; Q244-K482 PolarHBondContact O-N 3.41Å; Q244-K482 VanDerWaalsContact O-O 3.13Å; Q244-L484 VanDerWaalsContact CD-CD1 3.46Å; Q244-L484 HydrophobicContact CG-CD1 4.25Å
245A96.7Very high92.9Very high0 Ų064.4 Ų64.40%032%0.318CS..EExtended strand (participates in β ladder)trans-117.7148.3174.800000110.1L257 I435 F440 E480 V481A245-L257 HydrophobicContact CB-CB 4.47Å; A245-L257 HydrophobicContact CB-CD1 4.38Å; A245-L257 PolarHBondContact O-N 2.85Å; A245-I435 HydrophobicContact CB-CD1 3.62Å; A245-F440 HydrophobicContact CB-CD1 4.21Å; A245-F440 HydrophobicContact CB-CE1 4.02Å; A245-F440 HydrophobicContact CB-CZ 4.25Å; A245-E480 CarbonylContact C-O 3.47Å; A245-E480 WeakPolarHBondContact CA-O 3.46Å; A245-V481 HydrophobicContact CB-CG2 4.21Å
246K96.8Very high93.2Very high64 Ų6465 Ų6528%0.27832%0.323SS..EExtended strand (participates in β ladder)trans-118.6133.3168.2-69-180-174.4159.40109.6L255 L256 G479 E480K246-L255 VanDerWaalsContact CA-O 3.24Å; K246-L255 WeakPolarHBondContact CA-O 3.25Å; K246-L256 HydrophobicContact CG-CD1 4.01Å; K246-G479 PolarHBondContact O-N 3.05Å; K246-E480 HydrophobicContact CB-CB 4.2Å; K246-E480 HydrophobicContact CD-CB 4.32Å; K246-E480 WeakPolarHBondContact CD-OE2 3.48Å; K246-E480 WeakPolarHBondContact CE-OE2 3.33Å; K246-E480 PolarHBondContact N-O 3.32Å; K246-E480 IonicContact NZ-OE2 3.04Å; K246-E480 PolarHBondContact NZ-OE2 3.1Å; K246-E480 PolarHBondContact O-N 3.33Å
247V96.1Very high93.3Very high0 Ų056.7 Ų56.70%029%0.287CS..EExtended strand (participates in β ladder)trans-117144.7175.3-61.80000110.2S254 L255 L257 A283 F433 F476 P477 V478V247-S254 WeakPolarHBondContact O-CA 3.33Å; V247-L255 HydrophobicContact CG2-CB 3.85Å; V247-L255 HydrophobicContact CG2-CD1 4.38Å; V247-L255 PolarHBondContact N-O 3.11Å; V247-L255 PolarHBondContact O-N 3.22Å; V247-L257 HydrophobicContact CG1-CD1 3.64Å; V247-L257 HydrophobicContact CG1-CG 4.35Å; V247-L257 HydrophobicContact CG2-CD1 4.15Å; V247-L257 HydrophobicContact CG2-CD2 3.97Å; V247-L257 HydrophobicContact CG2-CG 4.2Å; V247-A283 HydrophobicContact CG1-CB 3.53Å; V247-F433 HydrophobicContact CG2-CE1 4.45Å; V247-F433 HydrophobicContact CG2-CZ 4.4Å; V247-F476 HydrophobicContact CB-CB 4.1Å; V247-F476 HydrophobicContact CG2-CB 4.46Å; V247-P477 WeakPolarHBondContact CA-O 3.49Å; V247-V478 HydrophobicContact CG1-CG2 4.46Å
248N93.4Very high93.3Very high64 Ų6457.9 Ų57.934%0.34229%0.291SS..EExtended strand (participates in β ladder)trans-96.6126.7179-64.8-23.6000109.3R253 F476 P477N248-R253 WeakPolarHBondContact CA-O 3.24Å; N248-F476 WeakPolarHBondContact O-CD1 3.45Å; N248-P477 PolarHBondContact N-O 3.07Å; N248-P477 WeakPolarHBondContact O-CD 3.31Å
249T90.4Very high93.4Very high11 Ų1152.8 Ų52.87%0.06727%0.266CS..  trans-84.1163.9174.870.60000111.5K251 D252 R253 L255 P468 F476T249-K251 PolarHBondContact O-N 3.48Å; T249-K251 PolarHBondContact OG1-N 3.03Å; T249-D252 PolarHBondContact O-N 3.48Å; T249-R253 PolarHBondContact N-O 3.38Å; T249-R253 WeakPolarHBondContact OG1-CB 3.22Å; T249-R253 PolarHBondContact OG1-N 3.01Å; T249-R253 PolarHBondContact OG1-O 3.07Å; T249-L255 HydrophobicContact CG2-CD1 3.51Å; T249-L255 HydrophobicContact CG2-CG 3.72Å; T249-P468 HydrophobicContact CG2-CB 4.32Å; T249-P468 HydrophobicContact CG2-CG 3.9Å; T249-F476 HydrophobicContact CG2-CD1 4.46Å; T249-F476 HydrophobicContact CG2-CE1 4.22Å
250D82.4Confident93.4Very high144 Ų14455.1 Ų55.177%0.7728%0.277SS*.THydrogen-bonded Turntrans-58.8-11.9175.2-50.3-36.6000114.5
251K83.4Confident93.3Very high189 Ų18959.4 Ų59.482%0.82229%0.293SS*.THydrogen-bonded Turntrans-101.825176.5-60.3-175.6179.1-177.10112.5T249 R253T249-K251 PolarHBondContact O-N 3.48Å; T249-K251 PolarHBondContact OG1-N 3.03Å; K251-R253 PolarHBondContact O-N 2.84Å
252D80.1Confident93.3Very high160 Ų16062.5 Ų62.586%0.85631%0.314SS*.SBendtrans5421.7-177.3-68-36.4000115.2T249T249-D252 PolarHBondContact O-N 3.48Å
253R86.6Confident93.3Very high70 Ų7067.4 Ų67.426%0.26433%0.33SS..PPolyproline II helixtrans-91.3138.1176.3-177.8-175.3179.3-152-5.8111.1N248 T249 K251 E465 S466N248-R253 WeakPolarHBondContact CA-O 3.24Å; T249-R253 PolarHBondContact N-O 3.38Å; T249-R253 WeakPolarHBondContact OG1-CB 3.22Å; T249-R253 PolarHBondContact OG1-N 3.01Å; T249-R253 PolarHBondContact OG1-O 3.07Å; K251-R253 PolarHBondContact O-N 2.84Å; R253-E465 IonicContact CZ-OE2 3.69Å; R253-E465 IonicContact NE-OE2 2.94Å; R253-E465 PolarHBondContact NE-OE2 3.35Å; R253-E465 IonicContact NH1-OE2 2.98Å; R253-E465 PolarHBondContact NH2-O 2.75Å; R253-E465 IonicContact NH2-OE2 3.38Å; R253-E465 PolarHBondContact NH2-OE2 3.09Å; R253-S466 PolarHBondContact NH1-O 2.88Å
254S91.8Very high93.3Very high61 Ų6168.3 Ų68.343%0.42734%0.336SS..EExtended strand (participates in β ladder)trans-91.6119.3172.6-163.30000111V247V247-S254 WeakPolarHBondContact O-CA 3.33Å
255L93.6Very high93.4Very high8 Ų871.6 Ų71.64%0.04235%0.35CS..EExtended strand (participates in β ladder)trans-98.2123.7173.5-68.2176000110.1K246 V247 T249 L257 L467 P468K246-L255 VanDerWaalsContact CA-O 3.24Å; K246-L255 WeakPolarHBondContact CA-O 3.25Å; V247-L255 HydrophobicContact CG2-CB 3.85Å; V247-L255 HydrophobicContact CG2-CD1 4.38Å; V247-L255 PolarHBondContact N-O 3.11Å; V247-L255 PolarHBondContact O-N 3.22Å; T249-L255 HydrophobicContact CG2-CD1 3.51Å; T249-L255 HydrophobicContact CG2-CG 3.72Å; L255-L257 HydrophobicContact CB-CD2 4.42Å; L255-L467 HydrophobicContact CD2-CD2 4.29Å; L255-P468 HydrophobicContact CD1-CG 3.68Å
256L95.3Very high93.5Very high81 Ų8175 Ų7542%0.42437%0.368SS..EExtended strand (participates in β ladder)trans-76.8130.5168.8-173.968.3000109.4Q244 K246Q244-L256 HydrophobicContact CB-CD1 4.33Å; K246-L256 HydrophobicContact CG-CD1 4.01Å
257L96.4Very high93.4Very high0 Ų080.2 Ų80.20%039%0.386CS..EExtended strand (participates in β ladder)trans-108134.1176.9-48.2-175.9000110.6A245 V247 L255 F433 I435 F440 C442A245-L257 HydrophobicContact CB-CB 4.47Å; A245-L257 HydrophobicContact CB-CD1 4.38Å; A245-L257 PolarHBondContact O-N 2.85Å; V247-L257 HydrophobicContact CG1-CD1 3.64Å; V247-L257 HydrophobicContact CG1-CG 4.35Å; V247-L257 HydrophobicContact CG2-CD1 4.15Å; V247-L257 HydrophobicContact CG2-CD2 3.97Å; V247-L257 HydrophobicContact CG2-CG 4.2Å; L255-L257 HydrophobicContact CB-CD2 4.42Å; L257-F433 HydrophobicContact CD1-CB 3.9Å; L257-F433 HydrophobicContact CD1-CD2 3.83Å; L257-F433 HydrophobicContact CD1-CG 3.87Å; L257-F433 HydrophobicContact CD2-CD2 3.62Å; L257-F433 HydrophobicContact CD2-CE2 3.64Å; L257-F433 HydrophobicContact CD2-CG 4.44Å; L257-F433 HydrophobicContact CD2-CZ 4.48Å; L257-F433 HydrophobicContact CG-CD2 4.38Å; L257-I435 HydrophobicContact CD1-CD1 4.22Å; L257-F440 HydrophobicContact CB-CB 3.73Å; L257-F440 HydrophobicContact CB-CD1 4.18Å; L257-F440 HydrophobicContact CB-CG 4.27Å; L257-F440 HydrophobicContact CD1-CB 3.98Å; L257-C442 HydrophobicContact CD2-CB 3.79Å
258D96.1Very high93.5Very high86 Ų8688 Ų8846%0.4642%0.422SS..EExtended strand (participates in β ladder)trans-88.1129.1174.5-65.7-49.1000109.8F440 T441D258-F440 CarbonylContact O-C 3.3Å; D258-F440 VanDerWaalsContact O-CA 3.29Å; D258-F440 WeakPolarHBondContact O-CA 3.44Å; D258-T441 PolarHBondContact N-O 2.91Å; D258-T441 PolarHBondContact O-N 3.46Å
259W97.9Very high93.7Very high11 Ų1188.5 Ų88.54%0.04242%0.424CS..EExtended strand (participates in β ladder)trans-70.3133.1179.6-174.237.5000111.4L243 R261 V262 V264 F273 E438 F440L243-W259 HydrophobicContact CB-CB 4.39Å; L243-W259 HydrophobicContact CB-CD2 3.68Å; L243-W259 HydrophobicContact CB-CE3 3.75Å; L243-W259 HydrophobicContact CB-CG 4.03Å; L243-W259 HydrophobicContact CB-CH2 4.48Å; L243-W259 HydrophobicContact CB-CZ2 4.44Å; L243-W259 HydrophobicContact CB-CZ3 4.16Å; L243-W259 HydrophobicContact CD2-CZ2 4.46Å; L243-W259 VanDerWaalsContact O-CB 3.27Å; L243-W259 WeakPolarHBondContact O-CB 3.49Å; W259-R261 VanDerWaalsContact C-N 3.27Å; W259-R261 HydrophobicContact CD2-CB 3.93Å; W259-R261 HydrophobicContact CD2-CG 4.48Å; W259-R261 HydrophobicContact CE3-CB 4.19Å; W259-R261 HydrophobicContact CH2-CB 4.22Å; W259-R261 HydrophobicContact CZ2-CB 3.94Å; W259-R261 HydrophobicContact CZ2-CG 4.02Å; W259-R261 HydrophobicContact CZ3-CB 4.33Å; W259-R261 PolarHBondContact O-N 3.37Å; W259-V262 WeakPolarHBondContact O-CA 3.23Å; W259-V262 PolarHBondContact O-N 3.43Å; W259-V264 HydrophobicContact CH2-CG1 3.66Å; W259-V264 HydrophobicContact CH2-CG2 4.09Å; W259-V264 HydrophobicContact CZ3-CG1 3.98Å; W259-V264 HydrophobicContact CZ3-CG2 4.13Å; W259-F273 HydrophobicContact CH2-CB 4.4Å; W259-F273 AromaticContact CH2-CD2 3.55Å; W259-F273 HydrophobicContact CH2-CD2 3.55Å; W259-F273 HydrophobicContact CH2-CE2 4Å; W259-F273 HydrophobicContact CH2-CG 4.1Å; W259-F273 HydrophobicContact CZ2-CB 4.07Å; W259-F273 HydrophobicContact CZ2-CD1 4.22Å; W259-F273 AromaticContact CZ2-CD2 3.57Å; W259-F273 HydrophobicContact CZ2-CD2 3.57Å; W259-F273 AromaticContact CZ2-CE2 3.98Å; W259-F273 HydrophobicContact CZ2-CE2 3.98Å; W259-F273 AromaticContact CZ2-CG 3.71Å; W259-F273 HydrophobicContact CZ2-CG 3.71Å; W259-F273 HydrophobicContact CZ2-CZ 4.5Å; W259-E438 PolarHBondContact NE1-OE2 3.31Å; W259-F440 HydrophobicContact CB-CD1 3.96Å; W259-F440 HydrophobicContact CB-CE1 3.81Å; W259-F440 AromaticContact CD1-CE1 3.84Å; W259-F440 AromaticContact CD1-CZ 3.95Å; W259-F440 HydrophobicContact CG-CD1 4.46Å; W259-F440 HydrophobicContact CG-CE1 4.05Å
260D97.4Very high94Very high98 Ų9888.1 Ų88.152%0.52442%0.422SS..THydrogen-bonded Turntrans-63.2-33.9-174.8-171.372.2000112.6V262 L439D260-V262 PolarHBondContact O-N 3.03Å; D260-L439 HydrophobicContact CB-CB 3.91Å; D260-L439 VanDerWaalsContact CB-O 3.3Å; D260-L439 WeakPolarHBondContact CB-O 3.36Å; D260-L439 PolarHBondContact N-O 2.95Å
261R96.3Very high94.7Very high130 Ų13084.7 Ų84.749%0.49140%0.401SS..THydrogen-bonded Turntrans-72.7-8.9174.7-52.4-171.1-168.2-88.31.6113.6W259 R263 E438W259-R261 VanDerWaalsContact C-N 3.27Å; W259-R261 HydrophobicContact CD2-CB 3.93Å; W259-R261 HydrophobicContact CD2-CG 4.48Å; W259-R261 HydrophobicContact CE3-CB 4.19Å; W259-R261 HydrophobicContact CH2-CB 4.22Å; W259-R261 HydrophobicContact CZ2-CB 3.94Å; W259-R261 HydrophobicContact CZ2-CG 4.02Å; W259-R261 HydrophobicContact CZ3-CB 4.33Å; W259-R261 PolarHBondContact O-N 3.37Å; R261-R263 PolarHBondContact O-N 3.13Å; R261-E438 IonicContact CZ-OE1 3.76Å; R261-E438 IonicContact CZ-OE2 3.57Å; R261-E438 IonicContact NE-OE1 3.01Å; R261-E438 PolarHBondContact NE-OE1 3.46Å; R261-E438 IonicContact NE-OE2 2.65Å; R261-E438 PolarHBondContact NE-OE2 3.38Å; R261-E438 IonicContact NH2-OE1 3.99Å; R261-E438 PolarHBondContact NH2-OE1 2.96Å; R261-E438 IonicContact NH2-OE2 3.23Å
262V97.6Very high95.4Very high84 Ų8479.8 Ų79.851%0.50938%0.382SS..  trans64.7-58.5-178.5-172.40000114.1V242 W259 D260V242-V262 WeakPolarHBondContact CG1-O 3.25Å; W259-V262 WeakPolarHBondContact O-CA 3.23Å; W259-V262 PolarHBondContact O-N 3.43Å; D260-V262 PolarHBondContact O-N 3.03Å
263R97.6Very high96.2Very high123 Ų12373.1 Ų73.146%0.46435%0.346SS..  trans-159.2159.7-179.270.9-175.985.7126.12.8112.4Y240 W241 V242 R261 F265Y240-R263 HydrophobicContact CD2-CB 3.73Å; Y240-R263 HydrophobicContact CD2-CG 4.35Å; Y240-R263 HydrophobicContact CE2-CB 4.3Å; W241-R263 VanDerWaalsContact O-CA 3.31Å; W241-R263 WeakPolarHBondContact O-CA 3.32Å; V242-R263 HydrophobicContact CG2-CB 4.04Å; R261-R263 PolarHBondContact O-N 3.13Å; R263-F265 HydrophobicContact CG-CE2 4.08Å
264V97.9Very high96.7Very high23 Ų2371 Ų7114%0.13934%0.34CS..BIsolated β-bridgetrans-131.4149.5169.1-67.40000110.9Y240 W241 W259 A270 F273Y240-V264 CarbonylContact C-O 3.51Å; Y240-V264 VanDerWaalsContact CA-O 3.27Å; Y240-V264 WeakPolarHBondContact CA-O 3.23Å; Y240-V264 WeakPolarHBondContact CB-O 2.92Å; W241-V264 HydrophobicContact CB-CG2 4.18Å; W241-V264 PolarHBondContact N-O 3.48Å; W241-V264 PolarHBondContact O-N 3.46Å; W259-V264 HydrophobicContact CH2-CG1 3.66Å; W259-V264 HydrophobicContact CH2-CG2 4.09Å; W259-V264 HydrophobicContact CZ3-CG1 3.98Å; W259-V264 HydrophobicContact CZ3-CG2 4.13Å; V264-A270 HydrophobicContact CG2-CB 3.57Å; V264-F273 HydrophobicContact CG1-CD2 4.49Å; V264-F273 HydrophobicContact CG1-CE2 4.15Å
265F97.9Very high96.9Very high97 Ų9771.5 Ų71.543%0.42534%0.338SS..SBendtrans-104.72.3-179.5-71-94.3000113.4E238 T239 Y240 W241 R263 T488E238-F265 HydrophobicContact CB-CD1 4.12Å; E238-F265 HydrophobicContact CB-CE1 4.08Å; T239-F265 WeakPolarHBondContact O-CD1 3.36Å; Y240-F265 HydrophobicContact CD1-CE1 4.42Å; Y240-F265 HydrophobicContact CG-CE1 4.44Å; W241-F265 WeakPolarHBondContact CZ3-O 3.38Å; R263-F265 HydrophobicContact CG-CE2 4.08Å; F265-T488 HydrophobicContact CE1-CG2 3.91Å; F265-T488 HydrophobicContact CZ-CG2 4.27Å
266D97.8Very high97Very high72 Ų7274.4 Ų74.439%0.38535%0.352SS..  trans-110.3127.2178.1-176.9-73.8000110.2E268 I269 A270D266-E268 WeakPolarHBondContact OD1-CA 3.28Å; D266-E268 PolarHBondContact OD1-N 3.23Å; D266-I269 HydrophobicContact CB-CB 4.03Å; D266-I269 HydrophobicContact CB-CD1 3.89Å; D266-I269 HydrophobicContact CB-CG1 4.09Å; D266-I269 WeakPolarHBondContact OD1-CG1 3.33Å; D266-I269 PolarHBondContact OD1-N 2.76Å; D266-A270 VanDerWaalsContact O-CB 3.3Å; D266-A270 WeakPolarHBondContact O-CB 3.38Å; D266-A270 PolarHBondContact O-N 2.95Å
267R96.1Very high97.1Very high173 Ų17370.6 Ų70.665%0.65333%0.332SS*.Hα-helixtrans-69.7-39.9-174.6-171.6177.4178.2-178.90.9112.5W241 A270 Q271W241-R267 HydrophobicContact CH2-CB 3.54Å; W241-R267 HydrophobicContact CH2-CG 4.1Å; W241-R267 HydrophobicContact CZ2-CB 3.76Å; W241-R267 HydrophobicContact CZ2-CG 3.76Å; W241-R267 HydrophobicContact CZ3-CB 3.98Å; R267-A270 PolarHBondContact O-N 3.24Å; R267-Q271 WeakPolarHBondContact O-CB 3.46Å; R267-Q271 PolarHBondContact O-N 2.66Å
268E97.4Very high96.9Very high162 Ų16275.4 Ų75.476%0.75735%0.353SS*.Hα-helixtrans-70.2-41.8-176.5-64.6-179.8176.900109.9D266 Q271 M272D266-E268 WeakPolarHBondContact OD1-CA 3.28Å; D266-E268 PolarHBondContact OD1-N 3.23Å; E268-Q271 PolarHBondContact O-N 3Å; E268-M272 WeakPolarHBondContact O-CB 3.15Å; E268-M272 PolarHBondContact O-N 3.13Å
269I97.4Very high96.8Very high75 Ų7577.5 Ų77.539%0.38536%0.363SS..Hα-helixtrans-63.8-42.9173-64.9177.4000110.8D266 Q271 M272 F273D266-I269 HydrophobicContact CB-CB 4.03Å; D266-I269 HydrophobicContact CB-CD1 3.89Å; D266-I269 HydrophobicContact CB-CG1 4.09Å; D266-I269 WeakPolarHBondContact OD1-CG1 3.33Å; D266-I269 PolarHBondContact OD1-N 2.76Å; I269-Q271 VanDerWaalsContact C-N 3.33Å; I269-Q271 PolarHBondContact O-N 3.09Å; I269-M272 HydrophobicContact CG2-CE 4.41Å; I269-M272 WeakPolarHBondContact O-CB 3.4Å; I269-M272 PolarHBondContact O-N 3.06Å; I269-F273 HydrophobicContact CG2-CD2 3.76Å; I269-F273 HydrophobicContact CG2-CE2 3.28Å; I269-F273 HydrophobicContact CG2-CZ 4.14Å; I269-F273 WeakPolarHBondContact O-CD2 3.3Å; I269-F273 PolarHBondContact O-N 3.31Å
270A96.8Very high96.8Very high3 Ų380.9 Ų80.93%0.02538%0.379CS..Hα-helixtrans-59.9-44.8175.900000111.8W241 V264 D266 R267 M272 F273 L274 M483W241-A270 HydrophobicContact CB-CB 3.58Å; W241-A270 HydrophobicContact CD2-CB 4.01Å; W241-A270 HydrophobicContact CE3-CB 4.21Å; W241-A270 HydrophobicContact CG-CB 3.75Å; V264-A270 HydrophobicContact CG2-CB 3.57Å; D266-A270 VanDerWaalsContact O-CB 3.3Å; D266-A270 WeakPolarHBondContact O-CB 3.38Å; D266-A270 PolarHBondContact O-N 2.95Å; R267-A270 PolarHBondContact O-N 3.24Å; A270-M272 VanDerWaalsContact C-N 3.34Å; A270-M272 PolarHBondContact O-N 3.1Å; A270-F273 PolarHBondContact O-N 3.13Å; A270-L274 PolarHBondContact O-N 2.66Å; A270-M483 VanDerWaalsContact C-SD 3.53Å; A270-M483 HydrophobicContact CB-SD 3.5Å; A270-M483 VanDerWaalsContact CB-SD 3.5Å
271Q97.1Very high96.7Very high72 Ų7283.3 Ų83.334%0.33639%0.385SS..Hα-helixtrans-66.5-36178-172.259.164.400112.2R267 E268 I269 L274 N275R267-Q271 WeakPolarHBondContact O-CB 3.46Å; R267-Q271 PolarHBondContact O-N 2.66Å; E268-Q271 PolarHBondContact O-N 3Å; I269-Q271 VanDerWaalsContact C-N 3.33Å; I269-Q271 PolarHBondContact O-N 3.09Å; Q271-L274 PolarHBondContact O-N 2.77Å; Q271-N275 PolarHBondContact NE2-OD1 3.04Å; Q271-N275 VanDerWaalsContact NE2-OD1 3.14Å; Q271-N275 WeakPolarHBondContact O-CB 3.35Å; Q271-N275 PolarHBondContact O-N 3.43Å; Q271-N275 PolarHBondContact O-ND2 3.02Å
272M97.8Very high96.6Very high86 Ų8683.1 Ų83.142%0.42439%0.39SS..Hα-helixtrans-59-51.1172.1-179.2-161.970.700110.5E268 I269 A270 L274 N275 M276E268-M272 WeakPolarHBondContact O-CB 3.15Å; E268-M272 PolarHBondContact O-N 3.13Å; I269-M272 HydrophobicContact CG2-CE 4.41Å; I269-M272 WeakPolarHBondContact O-CB 3.4Å; I269-M272 PolarHBondContact O-N 3.06Å; A270-M272 VanDerWaalsContact C-N 3.34Å; A270-M272 PolarHBondContact O-N 3.1Å; M272-L274 PolarHBondContact O-N 3.41Å; M272-N275 PolarHBondContact O-N 2.81Å; M272-N275 VanDerWaalsContact O-N 3.16Å; M272-M276 HydrophobicContact CE-CE 3.81Å; M272-M276 HydrophobicContact CG-CE 4.08Å; M272-M276 HydrophobicContact CG-SD 4.32Å; M272-M276 WeakPolarHBondContact O-CG 3.26Å; M272-M276 PolarHBondContact O-N 3.2Å; M272-M276 HydrophobicContact SD-CE 4.42Å
273F97.9Very high96.6Very high20 Ų2079.1 Ų79.19%0.08837%0.366CS..Hα-helixtrans-59.4-45.4177.8-70.5-56.5000112.3L243 W259 V264 I269 A270 N275 M276 T277 E438L243-F273 HydrophobicContact CD2-CB 4.22Å; W259-F273 HydrophobicContact CH2-CB 4.4Å; W259-F273 AromaticContact CH2-CD2 3.55Å; W259-F273 HydrophobicContact CH2-CD2 3.55Å; W259-F273 HydrophobicContact CH2-CE2 4Å; W259-F273 HydrophobicContact CH2-CG 4.1Å; W259-F273 HydrophobicContact CZ2-CB 4.07Å; W259-F273 HydrophobicContact CZ2-CD1 4.22Å; W259-F273 AromaticContact CZ2-CD2 3.57Å; W259-F273 HydrophobicContact CZ2-CD2 3.57Å; W259-F273 AromaticContact CZ2-CE2 3.98Å; W259-F273 HydrophobicContact CZ2-CE2 3.98Å; W259-F273 AromaticContact CZ2-CG 3.71Å; W259-F273 HydrophobicContact CZ2-CG 3.71Å; W259-F273 HydrophobicContact CZ2-CZ 4.5Å; V264-F273 HydrophobicContact CG1-CD2 4.49Å; V264-F273 HydrophobicContact CG1-CE2 4.15Å; I269-F273 HydrophobicContact CG2-CD2 3.76Å; I269-F273 HydrophobicContact CG2-CE2 3.28Å; I269-F273 HydrophobicContact CG2-CZ 4.14Å; I269-F273 WeakPolarHBondContact O-CD2 3.3Å; I269-F273 PolarHBondContact O-N 3.31Å; A270-F273 PolarHBondContact O-N 3.13Å; F273-N275 VanDerWaalsContact C-N 3.32Å; F273-N275 PolarHBondContact O-N 3.44Å; F273-M276 HydrophobicContact CD1-CE 3.41Å; F273-M276 VanDerWaalsContact CD1-CE 3.41Å; F273-M276 HydrophobicContact CE1-CE 3.91Å; F273-M276 HydrophobicContact CG-CE 4.31Å; F273-M276 PolarHBondContact O-N 2.8Å; F273-T277 PolarHBondContact O-N 3.31Å; F273-T277 PolarHBondContact O-OG1 2.81Å; F273-T277 VanDerWaalsContact O-OG1 3.1Å; F273-E438 VanDerWaalsContact CD1-CD 3.46Å; F273-E438 HydrophobicContact CD1-CG 3.99Å; F273-E438 WeakPolarHBondContact CD1-OE1 3.41Å; F273-E438 WeakPolarHBondContact CE1-OE1 3.44Å
274L97.3Very high96.6Very high26 Ų2676.5 Ų76.514%0.13636%0.359CS..Hα-helixtrans-59-42.9175.4178.663000112.1L243 A270 Q271 M272 M276 T277 K278 V481 M483L243-L274 HydrophobicContact CD1-CB 4.26Å; L243-L274 HydrophobicContact CD1-CD1 3.89Å; A270-L274 PolarHBondContact O-N 2.66Å; Q271-L274 PolarHBondContact O-N 2.77Å; M272-L274 PolarHBondContact O-N 3.41Å; L274-M276 VanDerWaalsContact C-N 3.31Å; L274-M276 PolarHBondContact O-N 2.78Å; L274-T277 PolarHBondContact O-N 3.07Å; L274-T277 PolarHBondContact O-OG1 3.29Å; L274-K278 HydrophobicContact CD1-CB 4.22Å; L274-K278 WeakPolarHBondContact O-CB 3.13Å; L274-K278 WeakPolarHBondContact O-CG 3.5Å; L274-K278 PolarHBondContact O-N 3.02Å; L274-V481 HydrophobicContact CD1-CG1 4.16Å; L274-M483 HydrophobicContact CB-CB 4.46Å; L274-M483 HydrophobicContact CB-SD 4.32Å; L274-M483 HydrophobicContact CD1-CB 4.32Å; L274-M483 HydrophobicContact CD2-CB 3.89Å; L274-M483 HydrophobicContact CD2-CE 4.18Å; L274-M483 HydrophobicContact CD2-SD 4.47Å; L274-M483 HydrophobicContact CG-CB 4.45Å
275N96.3Very high96.6Very high72 Ų7275.4 Ų75.439%0.38535%0.352SS..Hα-helixtrans-64.7-35.6-179.7-75.9-22.7000112.6Q271 M272 F273 T277 K278Q271-N275 PolarHBondContact NE2-OD1 3.04Å; Q271-N275 VanDerWaalsContact NE2-OD1 3.14Å; Q271-N275 WeakPolarHBondContact O-CB 3.35Å; Q271-N275 PolarHBondContact O-N 3.43Å; Q271-N275 PolarHBondContact O-ND2 3.02Å; M272-N275 PolarHBondContact O-N 2.81Å; M272-N275 VanDerWaalsContact O-N 3.16Å; F273-N275 VanDerWaalsContact C-N 3.32Å; F273-N275 PolarHBondContact O-N 3.44Å; N275-T277 VanDerWaalsContact C-N 3.34Å; N275-K278 PolarHBondContact OD1-NZ 3.04Å
276M95.9Very high96.5Very high69 Ų6973.8 Ų73.834%0.3435%0.346SS..Hα-helixtrans-73.6-22.9177.4-65.3-174.8-57.600113.2M272 F273 L274 P437M272-M276 HydrophobicContact CE-CE 3.81Å; M272-M276 HydrophobicContact CG-CE 4.08Å; M272-M276 HydrophobicContact CG-SD 4.32Å; M272-M276 WeakPolarHBondContact O-CG 3.26Å; M272-M276 PolarHBondContact O-N 3.2Å; M272-M276 HydrophobicContact SD-CE 4.42Å; F273-M276 HydrophobicContact CD1-CE 3.41Å; F273-M276 VanDerWaalsContact CD1-CE 3.41Å; F273-M276 HydrophobicContact CE1-CE 3.91Å; F273-M276 HydrophobicContact CG-CE 4.31Å; F273-M276 PolarHBondContact O-N 2.8Å; L274-M276 VanDerWaalsContact C-N 3.31Å; L274-M276 PolarHBondContact O-N 2.78Å; M276-P437 HydrophobicContact CB-CG 4.04Å; M276-P437 HydrophobicContact CE-CG 4.22Å; M276-P437 HydrophobicContact SD-CG 4.09Å
277T95.6Very high96.4Very high0 Ų072.5 Ų72.50%035%0.345CS..Hα-helixtrans-108.1-23.3-176.259.10000114.5L243 F273 L274 N275 L279 E280 E438L243-T277 HydrophobicContact CD2-CG2 4.09Å; F273-T277 PolarHBondContact O-N 3.31Å; F273-T277 PolarHBondContact O-OG1 2.81Å; F273-T277 VanDerWaalsContact O-OG1 3.1Å; L274-T277 PolarHBondContact O-N 3.07Å; L274-T277 PolarHBondContact O-OG1 3.29Å; N275-T277 VanDerWaalsContact C-N 3.34Å; T277-L279 VanDerWaalsContact C-N 3.31Å; T277-L279 PolarHBondContact O-N 2.85Å; T277-E280 WeakPolarHBondContact O-CB 3.38Å; T277-E280 PolarHBondContact O-N 2.93Å; T277-E438 HydrophobicContact CG2-CB 3.84Å; T277-E438 HydrophobicContact CG2-CG 3.83Å
278K94Very high96.4Very high101 Ų10167.6 Ų67.644%0.43934%0.335SS..THydrogen-bonded Turntrans-68.2-25-170.971.8-174.1-175.4-171.20115L274 N275L274-K278 HydrophobicContact CD1-CB 4.22Å; L274-K278 WeakPolarHBondContact O-CB 3.13Å; L274-K278 WeakPolarHBondContact O-CG 3.5Å; L274-K278 PolarHBondContact O-N 3.02Å; N275-K278 PolarHBondContact OD1-NZ 3.04Å
279L93.9Very high96.3Very high130 Ų13062.2 Ų62.268%0.68132%0.315SS*.THydrogen-bonded Turntrans-90-15.9-178.5-63.9-178.3000112.2T277T277-L279 VanDerWaalsContact C-N 3.31Å; T277-L279 PolarHBondContact O-N 2.85Å
280E96.2Very high96.2Very high82 Ų8265.4 Ų65.438%0.38332%0.322SS..  trans-65.9135.5178.6-61.4-62.9164.100110.6T277 I435T277-E280 WeakPolarHBondContact O-CB 3.38Å; T277-E280 PolarHBondContact O-N 2.93Å; E280-I435 HydrophobicContact CB-CG2 3.57Å; E280-I435 HydrophobicContact CG-CG2 4.04Å
281K95.5Very high96.1Very high149 Ų14971.6 Ų71.665%0.64835%0.349SS*.  trans-107.4-12.1-178.1-60.5-57.1-179-173.70113.3V478K281-V478 PolarHBondContact O-N 3Å
282E95.8Very high96.1Very high126 Ų12673.9 Ų73.959%0.58936%0.359SS*.EExtended strand (participates in β ladder)trans-129.2140.2-175.7-63.6-176.9171.300110.6
283A97Very high96.1Very high0 Ų074.5 Ų74.50%036%0.36CS..EExtended strand (participates in β ladder)trans-113116.9171.300000108.3V247 F433 R434 I435 T475 F476 V478V247-A283 HydrophobicContact CG1-CB 3.53Å; A283-F433 HydrophobicContact CB-CB 4.37Å; A283-F433 HydrophobicContact CB-CD1 4Å; A283-R434 WeakPolarHBondContact CA-O 3.36Å; A283-I435 HydrophobicContact CB-CD1 3.94Å; A283-I435 HydrophobicContact CB-CG1 3.6Å; A283-T475 WeakPolarHBondContact O-CA 3.24Å; A283-F476 PolarHBondContact N-O 3.23Å; A283-F476 PolarHBondContact O-N 3.31Å; A283-V478 HydrophobicContact CB-CG2 3.97Å
284Q97.2Very high96Very high68 Ų6876.2 Ų76.232%0.31838%0.377SS..EExtended strand (participates in β ladder)trans-90.4132.7-179.1-172.1173.931.700111E286 F433 R434 T475Q284-E286 PolarHBondContact O-N 3.4Å; Q284-F433 CarbonylContact O-C 3.6Å; Q284-F433 VanDerWaalsContact O-CA 3.27Å; Q284-F433 WeakPolarHBondContact O-CA 3.43Å; Q284-R434 PolarHBondContact N-O 2.99Å; Q284-R434 PolarHBondContact O-N 3.38Å; Q284-T475 HydrophobicContact CG-CG2 4.49Å
285V97.6Very high96Very high1 Ų178.4 Ų78.41%0.00639%0.386CS..EExtended strand (participates in β ladder)trans-71.9109.9172.5-1790000109.6T288 I431 F433 C470 Q471 G473 D474 F476V285-T288 HydrophobicContact CG1-CG2 3.74Å; V285-I431 HydrophobicContact CG1-CG2 3.98Å; V285-I431 HydrophobicContact CG2-CG2 4.33Å; V285-F433 HydrophobicContact CG2-CD1 4.05Å; V285-F433 HydrophobicContact CG2-CE1 3.66Å; V285-F433 HydrophobicContact CG2-CZ 4.39Å; V285-C470 HydrophobicContact CG2-CB 4.39Å; V285-Q471 WeakPolarHBondContact CB-O 3.41Å; V285-Q471 WeakPolarHBondContact CG1-O 3.29Å; V285-G473 PolarHBondContact O-N 3.03Å; V285-D474 HydrophobicContact CB-CB 4.41Å; V285-D474 HydrophobicContact CG2-CB 4.06Å; V285-D474 PolarHBondContact N-O 3Å; V285-F476 HydrophobicContact CG2-CD2 3.87Å; V285-F476 HydrophobicContact CG2-CE2 3.7Å
286E96.6Very high96.1Very high63 Ų6380.1 Ų80.129%0.29439%0.391SS..EExtended strand (participates in β ladder)trans-84.7-39.6175.7-81.4-151157.900112.9Q284 S432 R434 L439 R472Q284-E286 PolarHBondContact O-N 3.4Å; E286-S432 PolarHBondContact N-O 3.31Å; E286-R434 HydrophobicContact CG-CB 3.82Å; E286-R434 VanDerWaalsContact OE1-CD 3.3Å; E286-R434 WeakPolarHBondContact OE1-CD 3.47Å; E286-R434 IonicContact OE1-CZ 2.99Å; E286-R434 IonicContact OE1-NE 3.4Å; E286-R434 IonicContact OE1-NH1 3.82Å; E286-R434 PolarHBondContact OE1-NH1 2.62Å; E286-L439 WeakPolarHBondContact OE2-CD2 3.5Å; E286-R472 VanDerWaalsContact O-CD 3.22Å; E286-R472 WeakPolarHBondContact O-CD 3.34Å; E286-R472 VanDerWaalsContact O-CG 3.29Å; E286-R472 WeakPolarHBondContact O-CG 3.49Å; E286-R472 PolarHBondContact O-NE 2.92Å
287A96.3Very high96.2Very high44 Ų4478.1 Ų78.136%0.36438%0.38SS..EExtended strand (participates in β ladder)trans-152.6144-175.300000111.5S432A287-S432 PolarHBondContact O-N 2.79Å
288T95.8Very high96.3Very high70 Ų7079.1 Ų79.143%0.42939%0.386SS..EExtended strand (participates in β ladder)trans-124140.4168.559.90000108.7V285 I431V285-T288 HydrophobicContact CG1-CG2 3.74Å; T288-I431 HydrophobicContact CG2-CG1 4.29Å; T288-I431 HydrophobicContact CG2-CG2 4.19Å
289S94.7Very high96.5Very high49 Ų4977.6 Ų77.634%0.34338%0.383SS..EExtended strand (participates in β ladder)trans-139139.4174.373.40000110.7S429 T430S289-S429 CarbonylContact O-C 3.12Å; S289-S429 WeakPolarHBondContact O-CA 3.42Å; S289-T430 PolarHBondContact N-O 2.83Å; S289-T430 PolarHBondContact O-N 2.83Å
290R94.4Very high96.7Very high142 Ų14271.7 Ų71.754%0.53635%0.353SS..EExtended strand (participates in β ladder)trans-128.6118.5172.2-68-177.8177.1-113.41107.5L427 Q428R290-L427 HydrophobicContact CB-CD1 4.28Å; R290-L427 HydrophobicContact CB-CD2 4.44Å; R290-L427 HydrophobicContact CB-CG 4.44Å; R290-Q428 WeakPolarHBondContact CA-O 3.4Å
291K95.9Very high96.9Very high134 Ų13467.9 Ų67.958%0.58334%0.335SS*.EExtended strand (participates in β ladder)trans-127.2123.5-179.9-65.3-176.2-179179.20109K293 Q428K291-K293 PolarHBondContact O-N 2.9Å; K291-Q428 PolarHBondContact N-O 3.4Å; K291-Q428 PolarHBondContact O-N 2.81Å
292E97.4Very high96.9Very high120 Ų12061.5 Ų61.556%0.56131%0.308SS*.EExtended strand (participates in β ladder)trans-66.7127.8167.2-172.8177157.100108.3L448E292-L448 HydrophobicContact CG-CD1 4.06Å
293K96.9Very high97Very high99 Ų9955.8 Ų55.843%0.4328%0.282SS..EExtended strand (participates in β ladder)trans-129.4155.9176.8-70.4-171.4178.4-177.60109.1K291 Y426 Q428K291-K293 PolarHBondContact O-N 2.9Å; K293-Y426 HydrophobicContact CB-CD1 4.49Å; K293-Y426 HydrophobicContact CB-CD2 4.46Å; K293-Y426 HydrophobicContact CB-CE1 3.86Å; K293-Y426 HydrophobicContact CB-CE2 3.84Å; K293-Y426 VanDerWaalsContact CB-CZ 3.48Å; K293-Y426 HydrophobicContact CD-CE2 4.37Å; K293-Y426 PolarHBondContact N-O 2.87Å; K293-Y426 WeakPolarHBondContact O-CD1 3.45Å; K293-Y426 PolarHBondContact O-N 3.04Å; K293-Y426 VanDerWaalsContact O-O 3.05Å; K293-Q428 HydrophobicContact CD-CB 4.1Å; K293-Q428 HydrophobicContact CG-CB 4.47Å
294A96.7Very high97Very high55 Ų5556.6 Ų56.646%0.45529%0.286SS..EExtended strand (participates in β ladder)trans-114131.1174.900000110.1D423 C424A294-D423 HydrophobicContact CB-CB 4.4Å; A294-C424 CarbonylContact C-O 3.52Å; A294-C424 WeakPolarHBondContact CA-O 3.27Å
295K97.2Very high97Very high72 Ų7256.4 Ų56.431%0.31329%0.286SS..EExtended strand (participates in β ladder)trans-89.2110.6162-179.2176.5-175.5174.10106.2C424 Y426 F452 Q459K295-C424 HydrophobicContact CB-CB 4.15Å; K295-C424 PolarHBondContact N-O 3.11Å; K295-C424 PolarHBondContact O-N 2.97Å; K295-Y426 HydrophobicContact CB-CD1 4.41Å; K295-Y426 HydrophobicContact CB-CE1 4.03Å; K295-F452 HydrophobicContact CG-CE1 4.42Å; K295-F452 HydrophobicContact CG-CZ 4.48Å; K295-F452 WeakPolarHBondContact O-CE1 3.43Å; K295-Q459 WeakPolarHBondContact CE-O 3.32Å; K295-Q459 PolarHBondContact NZ-O 3.12Å
296Q98Very high97.1Very high109 Ų10956.4 Ų56.451%0.50929%0.285SS..PPolyproline II helixtrans-66140.5-175.2-67.7-179.6-3600110.7R379 F452Q296-R379 VanDerWaalsContact OE1-CZ 3.27Å; Q296-F452 WeakPolarHBondContact O-CE1 3.37Å
297R97.8Very high97.1Very high27 Ų2753.5 Ų53.510%0.10227%0.272CS..PPolyproline II helixtrans-60.6158.3168.377.2-166.2171.5-74.21.6111R377 T419 S421 D423 F452R297-R377 PolarHBondContact NH2-O 3.25Å; R297-T419 WeakPolarHBondContact CD-O 3.37Å; R297-T419 PolarHBondContact NE-O 3.24Å; R297-T419 VanDerWaalsContact NE-O 3.14Å; R297-S421 WeakPolarHBondContact CD-O 3.32Å; R297-D423 WeakPolarHBondContact CB-OD1 3.39Å; R297-D423 WeakPolarHBondContact CG-OD1 3.49Å; R297-D423 IonicContact CZ-OD1 2.88Å; R297-D423 PolarHBondContact N-OD1 2.96Å; R297-D423 IonicContact NH1-OD1 3.01Å; R297-D423 PolarHBondContact NH1-OD1 3.24Å; R297-D423 IonicContact NH1-OD2 3.57Å; R297-D423 PolarHBondContact NH1-OD2 2.98Å; R297-F452 HydrophobicContact CB-CB 4.07Å; R297-F452 HydrophobicContact CB-CD1 3.74Å; R297-F452 HydrophobicContact CB-CE1 4.31Å; R297-F452 HydrophobicContact CB-CG 3.83Å
298P98Very high97.2Very high20 Ų2053.9 Ų53.913%0.1326%0.264CS..PPolyproline II helixtrans-65.9159-177.528.4-36000112.3H415 A418 T419 M456P298-H415 VanDerWaalsContact CB-CE1 3.48Å; P298-H415 WeakPolarHBondContact CB-CE1 3.2Å; P298-A418 HydrophobicContact CG-CB 3.95Å; P298-T419 HydrophobicContact CG-CG2 4.16Å; P298-M456 HydrophobicContact CG-SD 4.14Å
299L98.3Very high97.3Very high70 Ų7051.4 Ų51.437%0.36625%0.249SC..PPolyproline II helixtrans-66.8161.9162.2-71.2171.7000110.1R379 H415 T419L299-R379 HydrophobicContact CD2-CB 4.14Å; L299-R379 HydrophobicContact CD2-CG 3.74Å; L299-H415 PolarHBondContact O-NE2 3.07Å; L299-T419 WeakPolarHBondContact O-CG2 3.43Å
300A98.5Very high97.5Very high6 Ų649 Ų495%0.0523%0.232CC..PPolyproline II helixtrans-59.9147.9173.200000110.5N302 T342 Y344 P389A300-N302 PolarHBondContact O-N 3.18Å; A300-T342 VanDerWaalsContact CB-O 3.32Å; A300-T342 WeakPolarHBondContact CB-O 3.42Å; A300-T342 WeakPolarHBondContact O-CG2 3.38Å; A300-Y344 HydrophobicContact CB-CD2 4.05Å; A300-Y344 HydrophobicContact CB-CE1 4.05Å; A300-Y344 HydrophobicContact CB-CE2 3.52Å; A300-P389 HydrophobicContact CB-CB 3.52Å; A300-P389 HydrophobicContact CB-CG 3.46Å; A300-P389 VanDerWaalsContact CB-CG 3.46Å
301L98.6Very high97.7Very high1 Ų142.4 Ų42.41%0.00521%0.207CC..PPolyproline II helixtrans-77124.8-168.9-169.967.3000111E305 M306 P389 I390 Y411 I412L301-E305 HydrophobicContact CD1-CB 3.97Å; L301-E305 HydrophobicContact CD1-CG 3.98Å; L301-M306 HydrophobicContact CD1-CB 4.33Å; L301-M306 HydrophobicContact CD2-CB 4.23Å; L301-M306 HydrophobicContact CG-CB 4.26Å; L301-P389 WeakPolarHBondContact O-CA 3.33Å; L301-P389 WeakPolarHBondContact O-CB 3.18Å; L301-I390 HydrophobicContact CB-CB 4.36Å; L301-I390 HydrophobicContact CD2-CB 4.17Å; L301-I390 HydrophobicContact CD2-CG2 4.4Å; L301-I390 HydrophobicContact CG-CB 4.33Å; L301-I390 PolarHBondContact O-N 3.22Å; L301-Y411 HydrophobicContact CD1-CE1 4.03Å; L301-Y411 HydrophobicContact CD2-CE1 4.14Å; L301-I412 HydrophobicContact CD2-CB 4.42Å; L301-I412 HydrophobicContact CD2-CG1 3.86Å; L301-I412 HydrophobicContact CD2-CG2 4.46Å
302N97.4Very high97.7Very high15 Ų1539.9 Ų39.98%0.0821%0.207CC..  trans-107.2177.7168.274.6-9.3000110.9A300 V304 E305 M306 T339 T342A300-N302 PolarHBondContact O-N 3.18Å; N302-V304 PolarHBondContact O-N 3.09Å; N302-V304 PolarHBondContact OD1-N 3.43Å; N302-E305 PolarHBondContact O-N 2.84Å; N302-E305 WeakPolarHBondContact OD1-CB 3.41Å; N302-E305 PolarHBondContact OD1-N 3.48Å; N302-M306 WeakPolarHBondContact O-CB 3.33Å; N302-M306 PolarHBondContact O-N 2.81Å; N302-T339 WeakPolarHBondContact CB-O 3.23Å; N302-T342 HydrophobicContact CB-CG2 3.72Å
303T97.5Very high97.6Very high7 Ų737.8 Ų37.84%0.04321%0.205CC..Hα-helixtrans-60.4-44.7-179.4-60.50000112.8E305 M306 L307 M322 P337 R338 T339 A512T303-E305 PolarHBondContact O-N 3.3Å; T303-M306 PolarHBondContact O-N 3.47Å; T303-L307 HydrophobicContact CG2-CD1 3.93Å; T303-L307 HydrophobicContact CG2-CG 4.25Å; T303-L307 VanDerWaalsContact O-CG 3.29Å; T303-L307 WeakPolarHBondContact O-CG 3.47Å; T303-L307 PolarHBondContact O-N 3.44Å; T303-M322 HydrophobicContact CG2-CE 3.37Å; T303-P337 PolarHBondContact OG1-O 2.99Å; T303-R338 VanDerWaalsContact OG1-CA 3.24Å; T303-R338 WeakPolarHBondContact OG1-CA 3.21Å; T303-T339 PolarHBondContact N-O 2.8Å; T303-T339 PolarHBondContact OG1-N 2.96Å; T303-T339 PolarHBondContact OG1-O 3.21Å; T303-T339 VanDerWaalsContact OG1-O 3.1Å; T303-A512 HydrophobicContact CG2-CB 4.21Å
304V95.9Very high97.6Very high16 Ų1634.4 Ų34.410%0.09719%0.192CC..Hα-helixtrans-61.1-48.4-176.8170.80000110.4N302 M306 L307 R308 I500 E504 I514N302-V304 PolarHBondContact O-N 3.09Å; N302-V304 PolarHBondContact OD1-N 3.43Å; V304-M306 PolarHBondContact O-N 3.34Å; V304-L307 PolarHBondContact O-N 3.06Å; V304-R308 WeakPolarHBondContact O-CG 3.35Å; V304-R308 PolarHBondContact O-N 3.4Å; V304-I500 HydrophobicContact CB-CG2 4.4Å; V304-I500 HydrophobicContact CG1-CG2 3.56Å; V304-E504 VanDerWaalsContact CG1-OE2 3.23Å; V304-E504 WeakPolarHBondContact CG1-OE2 3.43Å; V304-E504 HydrophobicContact CG2-CG 4.44Å; V304-I514 HydrophobicContact CG2-CD1 4.35Å
305E97.7Very high97.7Very high65 Ų6534 Ų3430%0.30419%0.193SC..Hα-helixtrans-66.4-39.2179.4-168.765-176.900112.3L301 N302 T303 L307 R308 V309L301-E305 HydrophobicContact CD1-CB 3.97Å; L301-E305 HydrophobicContact CD1-CG 3.98Å; N302-E305 PolarHBondContact O-N 2.84Å; N302-E305 WeakPolarHBondContact OD1-CB 3.41Å; N302-E305 PolarHBondContact OD1-N 3.48Å; T303-E305 PolarHBondContact O-N 3.3Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 3.32Å; E305-R308 PolarHBondContact O-N 3.06Å; E305-R308 IonicContact OE2-CZ 3.86Å; E305-R308 IonicContact OE2-NE 3.5Å; E305-R308 PolarHBondContact OE2-NE 3.01Å; E305-R308 IonicContact OE2-NH2 3.33Å; E305-R308 PolarHBondContact OE2-NH2 3.1Å; E305-V309 PolarHBondContact O-N 2.8Å
306M98.6Very high97.7Very high0 Ų030.7 Ų30.70%018%0.179CC..Hα-helixtrans-56.6-48.1173.5-179.6-171.865.900111.2L301 N302 T303 V304 A310 M322 A325 P337 I390 L408 I412L301-M306 HydrophobicContact CD1-CB 4.33Å; L301-M306 HydrophobicContact CD2-CB 4.23Å; L301-M306 HydrophobicContact CG-CB 4.26Å; N302-M306 WeakPolarHBondContact O-CB 3.33Å; N302-M306 PolarHBondContact O-N 2.81Å; T303-M306 PolarHBondContact O-N 3.47Å; V304-M306 PolarHBondContact O-N 3.34Å; M306-A310 WeakPolarHBondContact O-CB 3.34Å; M306-A310 PolarHBondContact O-N 3.05Å; M306-M322 HydrophobicContact CE-CE 4.33Å; M306-A325 HydrophobicContact CE-CB 3.89Å; M306-A325 HydrophobicContact SD-CB 3.83Å; M306-P337 HydrophobicContact CE-CB 4.24Å; M306-I390 HydrophobicContact CB-CD1 4.13Å; M306-I390 HydrophobicContact CE-CD1 4.06Å; M306-I390 HydrophobicContact SD-CD1 3.77Å; M306-L408 HydrophobicContact CG-CD1 4.12Å; M306-I412 HydrophobicContact SD-CD1 4.29Å
307L98.4Very high97.7Very high2 Ų226.5 Ų26.51%0.0117%0.165CC..Hα-helixtrans-66.8-39.6-179.7-65.9178000112.2T303 V304 E305 S311 P318 A321 M322 I500 P515T303-L307 HydrophobicContact CG2-CD1 3.93Å; T303-L307 HydrophobicContact CG2-CG 4.25Å; T303-L307 VanDerWaalsContact O-CG 3.29Å; T303-L307 WeakPolarHBondContact O-CG 3.47Å; T303-L307 PolarHBondContact O-N 3.44Å; V304-L307 PolarHBondContact O-N 3.06Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 3.32Å; L307-S311 PolarHBondContact O-N 3.46Å; L307-P318 HydrophobicContact CD2-CB 4.42Å; L307-P318 WeakPolarHBondContact CD2-O 3.2Å; L307-A321 HydrophobicContact CD2-CB 3.83Å; L307-M322 HydrophobicContact CD1-CE 4.46Å; L307-M322 HydrophobicContact CD2-CB 4.44Å; L307-I500 HydrophobicContact CB-CD1 3.75Å; L307-P515 HydrophobicContact CD1-CB 4.36Å; L307-P515 HydrophobicContact CD1-CG 4.16Å
308R98.1Very high97.6Very high52 Ų5225.4 Ų25.420%0.19616%0.161CC..Hα-helixtrans-58.7-51.8176.5-73.6-167.8-69.3-133.7-10.7111.2V304 E305 S311 S312 A497 I500 T501 E504V304-R308 WeakPolarHBondContact O-CG 3.35Å; V304-R308 PolarHBondContact O-N 3.4Å; E305-R308 PolarHBondContact O-N 3.06Å; E305-R308 IonicContact OE2-CZ 3.86Å; E305-R308 IonicContact OE2-NE 3.5Å; E305-R308 PolarHBondContact OE2-NE 3.01Å; E305-R308 IonicContact OE2-NH2 3.33Å; E305-R308 PolarHBondContact OE2-NH2 3.1Å; R308-S311 PolarHBondContact O-N 3Å; R308-S312 PolarHBondContact O-N 3.38Å; R308-S312 PolarHBondContact O-OG 3.49Å; R308-S312 VanDerWaalsContact O-OG 3.12Å; R308-A497 HydrophobicContact CB-CB 4.07Å; R308-A497 HydrophobicContact CG-CB 4.1Å; R308-I500 HydrophobicContact CG-CB 4.27Å; R308-I500 HydrophobicContact CG-CD1 4.39Å; R308-I500 HydrophobicContact CG-CG2 4.06Å; R308-T501 VanDerWaalsContact CD-OG1 3.27Å; R308-T501 WeakPolarHBondContact CD-OG1 3.46Å; R308-T501 PolarHBondContact NH1-OG1 3.15Å; R308-T501 VanDerWaalsContact NH1-OG1 3.15Å; R308-E504 IonicContact NH1-OE2 3.18Å; R308-E504 PolarHBondContact NH1-OE2 3.21Å
309V98.2Very high97.6Very high18 Ų1826.4 Ų26.411%0.10916%0.164CC..Hα-helixtrans-71.3-37.4-177.8178.40000111.8E305 S311 S312 S313 L314 Y411E305-V309 PolarHBondContact O-N 2.8Å; V309-S311 VanDerWaalsContact C-N 3.26Å; V309-S311 PolarHBondContact O-N 3.31Å; V309-S312 PolarHBondContact O-N 2.9Å; V309-S313 WeakPolarHBondContact O-CA 3.42Å; V309-S313 VanDerWaalsContact O-CB 3.3Å; V309-S313 WeakPolarHBondContact O-CB 3.44Å; V309-S313 PolarHBondContact O-N 3.23Å; V309-L314 PolarHBondContact O-N 2.82Å; V309-Y411 HydrophobicContact CB-CE1 3.9Å; V309-Y411 HydrophobicContact CB-CE2 4.25Å; V309-Y411 HydrophobicContact CG1-CD1 4.24Å; V309-Y411 HydrophobicContact CG1-CD2 3.9Å; V309-Y411 HydrophobicContact CG1-CE1 3.88Å; V309-Y411 HydrophobicContact CG1-CE2 3.55Å; V309-Y411 HydrophobicContact CG1-CG 4.25Å; V309-Y411 HydrophobicContact CG2-CE1 4.46Å; V309-Y411 HydrophobicContact CG2-CE2 4.43Å; V309-Y411 WeakPolarHBondContact CG2-OH 3.33Å
310A98.4Very high97.6Very high0 Ų026.5 Ų26.50%016%0.163CC..Hα-helixtrans-58.5-40.1174.600000111.6M306 L314 G315 M316 A321 L408M306-A310 WeakPolarHBondContact O-CB 3.34Å; M306-A310 PolarHBondContact O-N 3.05Å; A310-L314 CarbonylContact O-C 3.59Å; A310-L314 VanDerWaalsContact O-CA 3.28Å; A310-L314 WeakPolarHBondContact O-CA 3.44Å; A310-L314 VanDerWaalsContact O-CB 3.25Å; A310-L314 WeakPolarHBondContact O-CB 3.45Å; A310-L314 PolarHBondContact O-N 2.88Å; A310-L314 VanDerWaalsContact O-N 3.16Å; A310-G315 PolarHBondContact O-N 3.43Å; A310-M316 HydrophobicContact CB-CB 4.29Å; A310-M316 PolarHBondContact O-N 2.73Å; A310-A321 HydrophobicContact CB-CB 3.63Å; A310-L408 HydrophobicContact CB-CD1 4.31Å
311S97.7Very high97.6Very high2 Ų226.2 Ų26.21%0.01416%0.16CC..Hα-helixtrans-72.2-56.6174177.50000112.4L307 R308 V309 S313 G315 M316 E496 R533L307-S311 PolarHBondContact O-N 3.46Å; R308-S311 PolarHBondContact O-N 3Å; V309-S311 VanDerWaalsContact C-N 3.26Å; V309-S311 PolarHBondContact O-N 3.31Å; S311-S313 PolarHBondContact O-N 3.18Å; S311-G315 VanDerWaalsContact O-CA 3.31Å; S311-G315 WeakPolarHBondContact O-CA 3.33Å; S311-G315 PolarHBondContact O-N 2.74Å; S311-G315 VanDerWaalsContact O-N 3.08Å; S311-M316 VanDerWaalsContact CA-O 3.24Å; S311-M316 WeakPolarHBondContact CA-O 3.36Å; S311-M316 PolarHBondContact N-O 2.83Å; S311-E496 WeakPolarHBondContact CB-OE2 3.36Å; S311-E496 WeakPolarHBondContact OG-CB 3.4Å; S311-E496 PolarHBondContact OG-OE2 2.92Å; S311-R533 WeakPolarHBondContact OG-CB 3.23Å
312S96.3Very high97.5Very high82 Ų8226.3 Ų26.357%0.57316%0.161SC*.Hα-helixtrans-67.9-34-170.864.30000113.8R308 V309R308-S312 PolarHBondContact O-N 3.38Å; R308-S312 PolarHBondContact O-OG 3.49Å; R308-S312 VanDerWaalsContact O-OG 3.12Å; V309-S312 PolarHBondContact O-N 2.9Å
313S95.8Very high97.5Very high75 Ų7530.5 Ų30.552%0.52418%0.18SC..THydrogen-bonded Turntrans-111.6-33.4-171.4-560000112.8V309 S311V309-S313 WeakPolarHBondContact O-CA 3.42Å; V309-S313 VanDerWaalsContact O-CB 3.3Å; V309-S313 WeakPolarHBondContact O-CB 3.44Å; V309-S313 PolarHBondContact O-N 3.23Å; S311-S313 PolarHBondContact O-N 3.18Å
314L97.3Very high97.5Very high28 Ų2830.2 Ų30.215%0.14718%0.178CC..THydrogen-bonded Turntrans-102.5-4.8179.8-46.5179.2000113V309 A310 M316 R407 L408V309-L314 PolarHBondContact O-N 2.82Å; A310-L314 CarbonylContact O-C 3.59Å; A310-L314 VanDerWaalsContact O-CA 3.28Å; A310-L314 WeakPolarHBondContact O-CA 3.44Å; A310-L314 VanDerWaalsContact O-CB 3.25Å; A310-L314 WeakPolarHBondContact O-CB 3.45Å; A310-L314 PolarHBondContact O-N 2.88Å; A310-L314 VanDerWaalsContact O-N 3.16Å; L314-M316 HydrophobicContact CB-CE 4Å; L314-M316 HydrophobicContact CB-CG 4.05Å; L314-M316 HydrophobicContact CB-SD 4.28Å; L314-M316 HydrophobicContact CD1-CE 4.1Å; L314-M316 HydrophobicContact CD1-SD 4.39Å; L314-M316 PolarHBondContact O-N 3.31Å; L314-R407 PolarHBondContact O-NH1 3.32Å; L314-R407 PolarHBondContact O-NH2 3.25Å; L314-L408 HydrophobicContact CD1-CB 4.49Å; L314-L408 HydrophobicContact CD1-CD1 4.15Å
315G97.1Very high97.6Very high46 Ų4629.5 Ų29.547%0.47417%0.173SC..  trans62.919.9179.700000113.9A310 S311A310-G315 PolarHBondContact O-N 3.43Å; S311-G315 VanDerWaalsContact O-CA 3.31Å; S311-G315 WeakPolarHBondContact O-CA 3.33Å; S311-G315 PolarHBondContact O-N 2.74Å; S311-G315 VanDerWaalsContact O-N 3.08Å
316M98.1Very high97.5Very high3 Ų327.8 Ų27.82%0.01517%0.165CC..  trans-90.8124.6178.1-60.7-179.6-171.400109.7A310 S311 L314 A321 D404 R407 L408A310-M316 HydrophobicContact CB-CB 4.29Å; A310-M316 PolarHBondContact O-N 2.73Å; S311-M316 VanDerWaalsContact CA-O 3.24Å; S311-M316 WeakPolarHBondContact CA-O 3.36Å; S311-M316 PolarHBondContact N-O 2.83Å; L314-M316 HydrophobicContact CB-CE 4Å; L314-M316 HydrophobicContact CB-CG 4.05Å; L314-M316 HydrophobicContact CB-SD 4.28Å; L314-M316 HydrophobicContact CD1-CE 4.1Å; L314-M316 HydrophobicContact CD1-SD 4.39Å; L314-M316 PolarHBondContact O-N 3.31Å; M316-A321 HydrophobicContact CB-CB 4.21Å; M316-D404 HydrophobicContact CE-CB 3.57Å; M316-D404 WeakPolarHBondContact CE-O 3.44Å; M316-D404 HydrophobicContact SD-CB 4.42Å; M316-R407 HydrophobicContact CE-CB 3.91Å; M316-L408 HydrophobicContact CE-CB 4.44Å; M316-L408 HydrophobicContact SD-CB 4.48Å
317G97.4Very high97.4Very high21 Ų2133 Ų3322%0.21619%0.185CC..  trans-61.1151.4171.600000111.2Q319 H320 A321G317-Q319 VanDerWaalsContact C-N 3.31Å; G317-Q319 PolarHBondContact O-N 2.72Å; G317-H320 WeakPolarHBondContact O-CB 3.35Å; G317-H320 PolarHBondContact O-N 2.88Å; G317-A321 PolarHBondContact O-N 3.14Å
318P97.2Very high97.3Very high5 Ų532.9 Ų32.93%0.03219%0.185CC..Hα-helixtrans-55.3-40.8-172-29.636.2000114.5L307 A321 M322 E496 I500 P515 I518L307-P318 HydrophobicContact CD2-CB 4.42Å; L307-P318 WeakPolarHBondContact CD2-O 3.2Å; P318-A321 PolarHBondContact O-N 3.05Å; P318-M322 PolarHBondContact O-N 3.24Å; P318-E496 WeakPolarHBondContact CD-OE1 3.34Å; P318-E496 HydrophobicContact CG-CB 4.27Å; P318-I500 HydrophobicContact CG-CD1 4.09Å; P318-P515 HydrophobicContact CB-CB 3.74Å; P318-I518 HydrophobicContact CG-CD1 4.31Å; P318-I518 HydrophobicContact CG-CG2 4.28Å
319Q96.8Very high97.3Very high41 Ų4130.5 Ų30.519%0.19218%0.176CC..Hα-helixtrans-65.4-40.7177.3-174.963.745.100112.5G317 M322 Q323 N519G317-Q319 VanDerWaalsContact C-N 3.31Å; G317-Q319 PolarHBondContact O-N 2.72Å; Q319-M322 PolarHBondContact O-N 2.75Å; Q319-Q323 WeakPolarHBondContact O-CG 3.45Å; Q319-Q323 PolarHBondContact O-N 3.49Å; Q319-N519 HydrophobicContact CB-CB 3.83Å; Q319-N519 HydrophobicContact CG-CB 4.32Å
320H97.8Very high96.9Very high72 Ų7230.3 Ų30.333%0.33317%0.174SC..Hα-helixtrans-67.2-40.8177.8-178.757.7000111.6G317 T324 D404G317-H320 WeakPolarHBondContact O-CB 3.35Å; G317-H320 PolarHBondContact O-N 2.88Å; H320-T324 WeakPolarHBondContact O-CB 3.24Å; H320-T324 PolarHBondContact O-N 3.16Å; H320-T324 PolarHBondContact O-OG1 3.27Å; H320-D404 IonicContact CD2-OD2 2.66Å; H320-D404 IonicContact CE1-OD2 2.62Å; H320-D404 IonicContact NE2-OD2 3.25Å; H320-D404 PolarHBondContact NE2-OD2 3.22Å
321A98.3Very high96.6Very high0 Ų034.6 Ų34.60%020%0.195CC..Hα-helixtrans-61.6-46.5174.800000111.4L307 A310 M316 G317 P318 T324 A325L307-A321 HydrophobicContact CD2-CB 3.83Å; A310-A321 HydrophobicContact CB-CB 3.63Å; M316-A321 HydrophobicContact CB-CB 4.21Å; G317-A321 PolarHBondContact O-N 3.14Å; P318-A321 PolarHBondContact O-N 3.05Å; A321-T324 PolarHBondContact O-N 3.1Å; A321-A325 WeakPolarHBondContact O-CB 3.39Å; A321-A325 PolarHBondContact O-N 2.86Å
322M97.7Very high96.5Very high3 Ų334.8 Ų34.82%0.01520%0.197CC..Hα-helixtrans-62.7-46.2178-175.156.874.100112.3T303 M306 L307 P318 Q319 T324 A325 E326 P337 R338 A512 P515T303-M322 HydrophobicContact CG2-CE 3.37Å; M306-M322 HydrophobicContact CE-CE 4.33Å; L307-M322 HydrophobicContact CD1-CE 4.46Å; L307-M322 HydrophobicContact CD2-CB 4.44Å; P318-M322 PolarHBondContact O-N 3.24Å; Q319-M322 PolarHBondContact O-N 2.75Å; M322-T324 VanDerWaalsContact C-N 3.28Å; M322-T324 PolarHBondContact O-N 2.88Å; M322-A325 PolarHBondContact O-N 2.92Å; M322-E326 WeakPolarHBondContact O-CG 3.49Å; M322-E326 PolarHBondContact O-N 2.65Å; M322-E326 HydrophobicContact SD-CG 4.42Å; M322-P337 HydrophobicContact SD-CG 4.33Å; M322-R338 HydrophobicContact CE-CG 4Å; M322-R338 HydrophobicContact SD-CG 3.83Å; M322-A512 HydrophobicContact CE-CB 4.29Å; M322-P515 HydrophobicContact CB-CG 4.38Å; M322-P515 HydrophobicContact CE-CG 4.46Å
323Q96.9Very high96.5Very high103 Ų10332 Ų3248%0.48117%0.174SC..Hα-helixtrans-61.2-37.8176.5-73.6172.3-10.200112.4Q319 R327Q319-Q323 WeakPolarHBondContact O-CG 3.45Å; Q319-Q323 PolarHBondContact O-N 3.49Å; Q323-R327 PolarHBondContact O-N 3.22Å; Q323-R327 VanDerWaalsContact O-N 3.09Å
324T98.3Very high96.6Very high1 Ų128.4 Ų28.41%0.00615%0.149CC..Hα-helixtrans-67.2-43.3175.9-62.20000111.1H320 A321 M322 R327 L328 A405 L408H320-T324 WeakPolarHBondContact O-CB 3.24Å; H320-T324 PolarHBondContact O-N 3.16Å; H320-T324 PolarHBondContact O-OG1 3.27Å; A321-T324 PolarHBondContact O-N 3.1Å; M322-T324 VanDerWaalsContact C-N 3.28Å; M322-T324 PolarHBondContact O-N 2.88Å; T324-R327 PolarHBondContact O-N 3.28Å; T324-L328 WeakPolarHBondContact O-CG 3.46Å; T324-L328 PolarHBondContact O-N 3.32Å; T324-A405 HydrophobicContact CG2-CB 4.41Å; T324-L408 HydrophobicContact CG2-CB 4.26Å; T324-L408 HydrophobicContact CG2-CD2 3.86Å
325A98.3Very high96.7Very high0 Ų027.1 Ų27.10%014%0.143CC..Hα-helixtrans-63.5-44.9176.100000112M306 A321 M322 R327 L328 Y329 I334 P337 L408M306-A325 HydrophobicContact CE-CB 3.89Å; M306-A325 HydrophobicContact SD-CB 3.83Å; A321-A325 WeakPolarHBondContact O-CB 3.39Å; A321-A325 PolarHBondContact O-N 2.86Å; M322-A325 PolarHBondContact O-N 2.92Å; A325-R327 VanDerWaalsContact C-N 3.27Å; A325-R327 PolarHBondContact O-N 3.08Å; A325-L328 WeakPolarHBondContact O-CB 3.44Å; A325-L328 PolarHBondContact O-N 3.1Å; A325-L328 VanDerWaalsContact O-N 3.11Å; A325-Y329 PolarHBondContact O-N 2.96Å; A325-I334 HydrophobicContact CB-CD1 4.17Å; A325-I334 WeakPolarHBondContact O-CD1 3.38Å; A325-P337 HydrophobicContact CB-CB 3.55Å; A325-P337 HydrophobicContact CB-CG 3.93Å; A325-L408 HydrophobicContact CB-CD2 3.99Å
326E95.5Very high96.7Very high29 Ų2925 Ų2514%0.13612%0.12CC..Hα-helixtrans-59.2-37.9175.4-77178.2-156.600112.3K10 M322 Y329 T330 P337 R338K10-E326 IonicContact NZ-OE2 2.99Å; K10-E326 PolarHBondContact NZ-OE2 3.08Å; M322-E326 WeakPolarHBondContact O-CG 3.49Å; M322-E326 PolarHBondContact O-N 2.65Å; M322-E326 HydrophobicContact SD-CG 4.42Å; E326-Y329 PolarHBondContact O-N 3.46Å; E326-T330 WeakPolarHBondContact O-CB 3.17Å; E326-T330 PolarHBondContact O-N 2.97Å; E326-T330 PolarHBondContact O-OG1 3.14Å; E326-P337 HydrophobicContact CG-CG 4.2Å; E326-R338 IonicContact OE1-CZ 3.86Å; E326-R338 IonicContact OE1-NE 3.98Å; E326-R338 PolarHBondContact OE1-NE 2.86Å; E326-R338 IonicContact OE1-NH2 3.1Å; E326-R338 PolarHBondContact OE1-NH2 3.22Å
327R95.4Very high96.7Very high110 Ų11024.9 Ų24.942%0.41512%0.12SC..Hα-helixtrans-64.5-44.5174.3-176.817565.7-130.3-3.7111.6Q323 T324 A325 Y329 T330 Q331Q323-R327 PolarHBondContact O-N 3.22Å; Q323-R327 VanDerWaalsContact O-N 3.09Å; T324-R327 PolarHBondContact O-N 3.28Å; A325-R327 VanDerWaalsContact C-N 3.27Å; A325-R327 PolarHBondContact O-N 3.08Å; R327-Y329 VanDerWaalsContact C-N 3.33Å; R327-Y329 PolarHBondContact O-N 3.45Å; R327-T330 PolarHBondContact O-N 3.44Å; R327-Q331 VanDerWaalsContact O-CG 3.31Å; R327-Q331 WeakPolarHBondContact O-CG 3.47Å; R327-Q331 PolarHBondContact O-N 2.81Å; R327-Q331 VanDerWaalsContact O-N 3.11Å
328L97.8Very high96.6Very high0 Ų027 Ų270%012%0.121CC..Hα-helixtrans-61.1-42.4176.1-69.5170.6000111.4T324 A325 Q331 G332 Y333 I334 L401 A405 L408T324-L328 WeakPolarHBondContact O-CG 3.46Å; T324-L328 PolarHBondContact O-N 3.32Å; A325-L328 WeakPolarHBondContact O-CB 3.44Å; A325-L328 PolarHBondContact O-N 3.1Å; A325-L328 VanDerWaalsContact O-N 3.11Å; L328-Q331 PolarHBondContact O-N 2.88Å; L328-G332 PolarHBondContact O-N 2.9Å; L328-Y333 HydrophobicContact CD2-CD2 4.3Å; L328-Y333 PolarHBondContact O-N 3.37Å; L328-I334 HydrophobicContact CB-CD1 3.88Å; L328-I334 HydrophobicContact CB-CG1 3.77Å; L328-I334 HydrophobicContact CB-CG2 4.42Å; L328-I334 HydrophobicContact CD1-CD1 4.45Å; L328-L401 HydrophobicContact CD2-CD1 3.76Å; L328-L401 HydrophobicContact CD2-CD2 3.63Å; L328-L401 HydrophobicContact CD2-CG 4.34Å; L328-A405 HydrophobicContact CD2-CB 4.3Å; L328-L408 HydrophobicContact CD1-CB 4.45Å; L328-L408 HydrophobicContact CD1-CD2 4.41Å; L328-L408 HydrophobicContact CD1-CG 4.44Å
329Y96.8Very high96.5Very high1 Ų127 Ų270%0.00412%0.121CC..Hα-helixtrans-61-48.8174.9161.4-103.5000112L13 D117 F152 I155 A325 E326 R327 Q331 G332 Y336L13-Y329 HydrophobicContact CD2-CE1 4.11Å; D117-Y329 PolarHBondContact OD1-OH 3.15Å; F152-Y329 WeakPolarHBondContact CE2-OH 3.46Å; I155-Y329 HydrophobicContact CD1-CE2 4.2Å; I155-Y329 HydrophobicContact CG1-CE2 4.12Å; A325-Y329 PolarHBondContact O-N 2.96Å; E326-Y329 PolarHBondContact O-N 3.46Å; R327-Y329 VanDerWaalsContact C-N 3.33Å; R327-Y329 PolarHBondContact O-N 3.45Å; Y329-Q331 PolarHBondContact O-N 3.21Å; Y329-G332 WeakPolarHBondContact O-CA 3.32Å; Y329-G332 PolarHBondContact O-N 3.34Å; Y329-Y336 AromaticContact CD1-CD2 3.92Å; Y329-Y336 HydrophobicContact CD1-CD2 3.92Å; Y329-Y336 HydrophobicContact CD1-CE2 4.29Å; Y329-Y336 HydrophobicContact CD2-CD2 4.03Å; Y329-Y336 AromaticContact CE1-CD2 3.61Å; Y329-Y336 HydrophobicContact CE1-CD2 3.61Å; Y329-Y336 AromaticContact CE1-CE2 3.91Å; Y329-Y336 HydrophobicContact CE1-CE2 3.91Å; Y329-Y336 AromaticContact CE2-CD2 3.71Å; Y329-Y336 HydrophobicContact CE2-CD2 3.71Å; Y329-Y336 HydrophobicContact CE2-CG 4.34Å; Y329-Y336 HydrophobicContact CG-CD2 4.1Å; Y329-Y336 AromaticContact CZ-CD2 3.47Å; Y329-Y336 VanDerWaalsContact CZ-CD2 3.47Å
330T90.5Very high96.3Very high14 Ų1429.2 Ų29.29%0.08613%0.131CC..Hα-helixtrans-60.4-30-179.5-61.60000112.4S12 L13 E326 R327 G332S12-T330 WeakPolarHBondContact OG-CG2 3.22Å; L13-T330 HydrophobicContact CD2-CG2 3.97Å; L13-T330 HydrophobicContact CG-CG2 4.11Å; E326-T330 WeakPolarHBondContact O-CB 3.17Å; E326-T330 PolarHBondContact O-N 2.97Å; E326-T330 PolarHBondContact O-OG1 3.14Å; R327-T330 PolarHBondContact O-N 3.44Å; T330-G332 VanDerWaalsContact C-N 3.34Å
331Q92.4Very high96.2Very high91 Ų9125.8 Ų25.843%0.42512%0.115SC..THydrogen-bonded Turntrans-86.8-2.1176-68.2173.4-10.700113.4R327 L328 Y329 Y333R327-Q331 VanDerWaalsContact O-CG 3.31Å; R327-Q331 WeakPolarHBondContact O-CG 3.47Å; R327-Q331 PolarHBondContact O-N 2.81Å; R327-Q331 VanDerWaalsContact O-N 3.11Å; L328-Q331 PolarHBondContact O-N 2.88Å; Y329-Q331 PolarHBondContact O-N 3.21Å; Q331-Y333 HydrophobicContact CB-CD2 3.58Å; Q331-Y333 HydrophobicContact CB-CE2 3.79Å
332G94.4Very high96.2Very high6 Ų626.7 Ų26.76%0.06212%0.121CC..THydrogen-bonded Turntrans79.813.9178.400000114.9L328 Y329 T330 K394L328-G332 PolarHBondContact O-N 2.9Å; Y329-G332 WeakPolarHBondContact O-CA 3.32Å; Y329-G332 PolarHBondContact O-N 3.34Å; T330-G332 VanDerWaalsContact C-N 3.34Å; G332-K394 WeakPolarHBondContact O-CB 3.49Å
333Y97.2Very high96.2Very high22 Ų2228.2 Ų28.29%0.08613%0.128CC..SBendtrans-79.7-31.7-179.5-72-68.5000113.3L328 Q331 P392 M393 K394 S395 A396 E400 L401 Y409L328-Y333 HydrophobicContact CD2-CD2 4.3Å; L328-Y333 PolarHBondContact O-N 3.37Å; Q331-Y333 HydrophobicContact CB-CD2 3.58Å; Q331-Y333 HydrophobicContact CB-CE2 3.79Å; Y333-P392 CarbonylContact O-C 3.53Å; Y333-P392 WeakPolarHBondContact O-CA 3.38Å; Y333-M393 PolarHBondContact O-N 2.9Å; Y333-K394 HydrophobicContact CD1-CB 4.22Å; Y333-K394 HydrophobicContact CD1-CD 4.32Å; Y333-K394 HydrophobicContact CD1-CG 4.45Å; Y333-K394 HydrophobicContact CE1-CD 4.21Å; Y333-S395 WeakPolarHBondContact CE1-O 3.5Å; Y333-A396 HydrophobicContact CD1-CB 3.57Å; Y333-A396 HydrophobicContact CE1-CB 3.35Å; Y333-A396 HydrophobicContact CG-CB 4.49Å; Y333-E400 PolarHBondContact OH-OE2 3.15Å; Y333-L401 HydrophobicContact CD2-CD2 3.68Å; Y333-L401 HydrophobicContact CE2-CD2 3.42Å; Y333-L401 VanDerWaalsContact CE2-CD2 3.42Å; Y333-L401 HydrophobicContact CE2-CG 4.4Å; Y333-L401 HydrophobicContact CG-CD2 4.39Å; Y333-Y409 HydrophobicContact CD1-CE2 4.38Å
334I98.6Very high96.1Very high0 Ų023.8 Ų23.80%011%0.107CC..BIsolated β-bridgetrans-132.2162179.365.4170.8000111.7A325 L328 P337 I390 T391 Y409 I412A325-I334 HydrophobicContact CB-CD1 4.17Å; A325-I334 WeakPolarHBondContact O-CD1 3.38Å; L328-I334 HydrophobicContact CB-CD1 3.88Å; L328-I334 HydrophobicContact CB-CG1 3.77Å; L328-I334 HydrophobicContact CB-CG2 4.42Å; L328-I334 HydrophobicContact CD1-CD1 4.45Å; I334-P337 HydrophobicContact CD1-CB 4.25Å; I334-I390 HydrophobicContact CD1-CG2 4.15Å; I334-T391 CarbonylContact C-O 3.45Å; I334-T391 WeakPolarHBondContact CA-O 3.49Å; I334-Y409 HydrophobicContact CG2-CD2 4.17Å; I334-I412 HydrophobicContact CD1-CD1 3.92Å; I334-I412 HydrophobicContact CG2-CD1 4.13Å; I334-I412 HydrophobicContact CG2-CG2 4.07Å
335S97.9Very high95.9Very high2 Ų225.6 Ų25.61%0.01412%0.119CC..SBendtrans-69.1170.2166.257.80000111S153 P389 I390 T391S153-S335 CarbonylContact O-C 3.51Å; S153-S335 WeakPolarHBondContact O-CA 3.26Å; S335-P389 PolarHBondContact OG-O 3.14Å; S335-I390 WeakPolarHBondContact OG-CA 3.38Å; S335-T391 PolarHBondContact N-O 3.47Å; S335-T391 PolarHBondContact OG-N 3.28Å; S335-T391 PolarHBondContact OG-OG1 3.45Å; S335-T391 VanDerWaalsContact OG-OG1 3.14Å
336Y97.4Very high95.5Very high2 Ų234.2 Ų34.21%0.00816%0.159CC..  trans-57.5124.4-174.9-165.4-115.6000112.1D117 D119 S153 Y329 R338 H387D117-Y336 HydrophobicContact CB-CE2 3.67Å; D119-Y336 HydrophobicContact CB-CE1 3.94Å; D119-Y336 PolarHBondContact OD2-OH 3.35Å; S153-Y336 PolarHBondContact O-N 2.93Å; Y329-Y336 AromaticContact CD1-CD2 3.92Å; Y329-Y336 HydrophobicContact CD1-CD2 3.92Å; Y329-Y336 HydrophobicContact CD1-CE2 4.29Å; Y329-Y336 HydrophobicContact CD2-CD2 4.03Å; Y329-Y336 AromaticContact CE1-CD2 3.61Å; Y329-Y336 HydrophobicContact CE1-CD2 3.61Å; Y329-Y336 AromaticContact CE1-CE2 3.91Å; Y329-Y336 HydrophobicContact CE1-CE2 3.91Å; Y329-Y336 AromaticContact CE2-CD2 3.71Å; Y329-Y336 HydrophobicContact CE2-CD2 3.71Å; Y329-Y336 HydrophobicContact CE2-CG 4.34Å; Y329-Y336 HydrophobicContact CG-CD2 4.1Å; Y329-Y336 AromaticContact CZ-CD2 3.47Å; Y329-Y336 VanDerWaalsContact CZ-CD2 3.47Å; Y336-R338 VanDerWaalsContact C-N 3.3Å; Y336-R338 HydrophobicContact CD1-CB 4.06Å; Y336-R338 HydrophobicContact CE1-CB 3.6Å; Y336-R338 HydrophobicContact CE1-CG 4.19Å; Y336-R338 PolarHBondContact O-N 3.44Å; Y336-H387 AromaticContact CD1-CD2 3.52Å; Y336-H387 AromaticContact CD1-CE1 3.78Å; Y336-H387 AromaticContact CD1-NE2 3.22Å; Y336-H387 WeakPolarHBondContact CD1-NE2 3.11Å; Y336-H387 AromaticContact CE1-NE2 3.73Å; Y336-H387 AromaticContact CG-NE2 4Å
337P97.6Very high95.1Very high0 Ų039.8 Ų39.80%019%0.19CC..SBendtrans-87.25.8-16635.2-37.5000114.3T303 M306 M322 A325 E326 I334 I390T303-P337 PolarHBondContact OG1-O 2.99Å; M306-P337 HydrophobicContact CE-CB 4.24Å; M322-P337 HydrophobicContact SD-CG 4.33Å; A325-P337 HydrophobicContact CB-CB 3.55Å; A325-P337 HydrophobicContact CB-CG 3.93Å; E326-P337 HydrophobicContact CG-CG 4.2Å; I334-P337 HydrophobicContact CD1-CB 4.25Å; P337-I390 HydrophobicContact CB-CD1 4.34Å; P337-I390 WeakPolarHBondContact O-CD1 3.4Å
338R96Very high94.9Very high66 Ų6636.3 Ų36.325%0.24918%0.178CC..  trans-111.687.3176.1-58.8179.7-179.7-171.4-2.2108.9D119 T303 M322 E326 Y336 A512D119-R338 IonicContact OD2-CZ 2.78Å; D119-R338 IonicContact OD2-NH1 3.26Å; D119-R338 PolarHBondContact OD2-NH1 2.93Å; T303-R338 VanDerWaalsContact OG1-CA 3.24Å; T303-R338 WeakPolarHBondContact OG1-CA 3.21Å; M322-R338 HydrophobicContact CE-CG 4Å; M322-R338 HydrophobicContact SD-CG 3.83Å; E326-R338 IonicContact OE1-CZ 3.86Å; E326-R338 IonicContact OE1-NE 3.98Å; E326-R338 PolarHBondContact OE1-NE 2.86Å; E326-R338 IonicContact OE1-NH2 3.1Å; E326-R338 PolarHBondContact OE1-NH2 3.22Å; Y336-R338 VanDerWaalsContact C-N 3.3Å; Y336-R338 HydrophobicContact CD1-CB 4.06Å; Y336-R338 HydrophobicContact CE1-CB 3.6Å; Y336-R338 HydrophobicContact CE1-CG 4.19Å; Y336-R338 PolarHBondContact O-N 3.44Å; R338-A512 HydrophobicContact CB-CB 3.71Å; R338-A512 HydrophobicContact CG-CB 3.72Å
339T94.8Very high94.7Very high4 Ų440.9 Ų40.93%0.02520%0.202CC..  trans-148.5141.9-180-178.70000111.4N302 T303 T341 D386 H387 I390N302-T339 WeakPolarHBondContact CB-O 3.23Å; T303-T339 PolarHBondContact N-O 2.8Å; T303-T339 PolarHBondContact OG1-N 2.96Å; T303-T339 PolarHBondContact OG1-O 3.21Å; T303-T339 VanDerWaalsContact OG1-O 3.1Å; T339-T341 WeakPolarHBondContact OG1-CB 3.25Å; T339-T341 PolarHBondContact OG1-N 2.91Å; T339-T341 VanDerWaalsContact OG1-N 3.09Å; T339-D386 WeakPolarHBondContact CA-OD2 3.46Å; T339-D386 PolarHBondContact OG1-OD1 3.15Å; T339-D386 PolarHBondContact OG1-OD2 3.05Å; T339-H387 PolarHBondContact OG1-O 3.05Å; T339-I390 HydrophobicContact CG2-CD1 4.49Å; T339-I390 HydrophobicContact CG2-CG1 3.79Å
340E92.6Very high94.7Very high87 Ų8742 Ų4241%0.40721%0.208SC..  trans-90.7-14.9171.7-62.9-173.4-178.900111.9A384 D386E340-A384 HydrophobicContact CB-CB 3.91Å; E340-D386 PolarHBondContact N-OD2 3.44Å
341T95.8Very high95Very high1 Ų145.3 Ų45.31%0.00622%0.221CC..  trans-67.7132.5-176.4-69.60000112.7T339 H343 A384 D386 H387 P389T339-T341 WeakPolarHBondContact OG1-CB 3.25Å; T339-T341 PolarHBondContact OG1-N 2.91Å; T339-T341 VanDerWaalsContact OG1-N 3.09Å; T341-H343 HydrophobicContact CG2-CB 4.43Å; T341-H343 WeakPolarHBondContact CG2-O 3.29Å; T341-A384 PolarHBondContact OG1-N 3.1Å; T341-D386 WeakPolarHBondContact CB-OD1 3.34Å; T341-D386 PolarHBondContact OG1-OD1 3.02Å; T341-H387 WeakPolarHBondContact CB-O 3.22Å; T341-H387 WeakPolarHBondContact CG2-O 3.44Å; T341-H387 PolarHBondContact OG1-O 3.39Å; T341-P389 HydrophobicContact CG2-CG 4.18Å
342T97.5Very high95.1Very high19 Ų1941.8 Ų41.812%0.11721%0.209CC..  trans-121.115.1175.453.80000111.8A300 N302 G381 H382A300-T342 VanDerWaalsContact CB-O 3.32Å; A300-T342 WeakPolarHBondContact CB-O 3.42Å; A300-T342 WeakPolarHBondContact O-CG2 3.38Å; N302-T342 HydrophobicContact CB-CG2 3.72Å; T342-G381 WeakPolarHBondContact O-CA 3.43Å; T342-H382 PolarHBondContact N-O 2.97Å; T342-H382 PolarHBondContact OG1-N 3.02Å; T342-H382 PolarHBondContact OG1-O 2.92Å
343H97.8Very high95.2Very high34 Ų3441.9 Ų41.916%0.15721%0.209CC..SBendtrans-119.8125179.4-178.377.6000110.4T341 H382 D383 P389T341-H343 HydrophobicContact CG2-CB 4.43Å; T341-H343 WeakPolarHBondContact CG2-O 3.29Å; H343-H382 PolarHBondContact N-O 2.96Å; H343-D383 HydrophobicContact CB-CB 4.17Å; H343-P389 VanDerWaalsContact O-CD 3.28Å; H343-P389 WeakPolarHBondContact O-CD 3.24Å
344Y96.7Very high95.3Very high11 Ų1140.9 Ų40.94%0.04321%0.205CC..  trans-73.3132.4172.4-62.2-70.3000109.9A300 L350 P378 P389 T391 F416 T419A300-Y344 HydrophobicContact CB-CD2 4.05Å; A300-Y344 HydrophobicContact CB-CE1 4.05Å; A300-Y344 HydrophobicContact CB-CE2 3.52Å; Y344-L350 HydrophobicContact CD1-CD2 3.86Å; Y344-L350 HydrophobicContact CD2-CD2 4.05Å; Y344-L350 HydrophobicContact CE1-CD2 4.16Å; Y344-L350 HydrophobicContact CE2-CD2 4.27Å; Y344-L350 HydrophobicContact CG-CD2 3.8Å; Y344-P378 HydrophobicContact CD2-CB 3.46Å; Y344-P378 VanDerWaalsContact CD2-CB 3.46Å; Y344-P378 HydrophobicContact CD2-CG 3.49Å; Y344-P378 VanDerWaalsContact CD2-CG 3.49Å; Y344-P378 HydrophobicContact CE2-CB 3.62Å; Y344-P378 HydrophobicContact CE2-CG 4.12Å; Y344-P378 HydrophobicContact CG-CG 4.41Å; Y344-P389 HydrophobicContact CD1-CB 4.23Å; Y344-P389 HydrophobicContact CD1-CG 3.75Å; Y344-P389 HydrophobicContact CE1-CB 3.83Å; Y344-P389 HydrophobicContact CE1-CG 3.85Å; Y344-P389 HydrophobicContact CG-CG 4.28Å; Y344-T391 HydrophobicContact CD1-CG2 4.23Å; Y344-T391 HydrophobicContact CE1-CG2 3.39Å; Y344-F416 HydrophobicContact CE1-CD2 4.48Å; Y344-F416 WeakPolarHBondContact OH-CD2 3.41Å; Y344-T419 PolarHBondContact OH-OG1 3.22Å
345P93.5Very high95.2Very high39 Ų3946.9 Ų46.925%0.25323%0.228SC..  trans-69.6149.3177.727.8-30.2000110.4N347 F348 P388P345-N347 WeakPolarHBondContact CB-OD1 3.41Å; P345-N347 PolarHBondContact O-N 2.85Å; P345-F348 HydrophobicContact CG-CB 4.02Å; P345-F348 VanDerWaalsContact O-CB 3.27Å; P345-F348 WeakPolarHBondContact O-CB 3.39Å; P345-F348 PolarHBondContact O-N 3.25Å; P345-P388 HydrophobicContact CG-CB 4.38Å; P345-P388 HydrophobicContact CG-CG 4.24Å
346E89.3Confident95.1Very high180 Ų18050.6 Ų50.684%0.84125%0.245SC*.THydrogen-bonded Turntrans-60.6-22.5-174.3-64.1-66.2156.500113.5
347N87.2Confident95.2Very high147 Ų14750.6 Ų50.679%0.78625%0.245SC*.THydrogen-bonded Turntrans-87.3-2.9177.665.8-4.1000114.1P345 D349P345-N347 WeakPolarHBondContact CB-OD1 3.41Å; P345-N347 PolarHBondContact O-N 2.85Å; N347-D349 PolarHBondContact O-N 2.98Å
348F91.4Very high95.2Very high37 Ų3751.1 Ų51.116%0.16225%0.249CC..  trans-75.5123.9-178.1-165.4-86.1000111.5P345 L350 P388 T391 M393P345-F348 HydrophobicContact CG-CB 4.02Å; P345-F348 VanDerWaalsContact O-CB 3.27Å; P345-F348 WeakPolarHBondContact O-CB 3.39Å; P345-F348 PolarHBondContact O-N 3.25Å; F348-L350 VanDerWaalsContact C-N 3.29Å; F348-L350 HydrophobicContact CD1-CD2 3.58Å; F348-L350 HydrophobicContact CD1-CG 3.9Å; F348-L350 HydrophobicContact CE1-CD2 3.93Å; F348-L350 PolarHBondContact O-N 3.48Å; F348-P388 HydrophobicContact CD2-CB 4.33Å; F348-P388 HydrophobicContact CE2-CB 4.37Å; F348-T391 HydrophobicContact CE1-CG2 4.49Å; F348-T391 HydrophobicContact CZ-CG2 4.09Å; F348-M393 HydrophobicContact CE2-CE 4.49Å; F348-M393 HydrophobicContact CE2-SD 4.41Å; F348-M393 HydrophobicContact CZ-CE 4.43Å; F348-M393 HydrophobicContact CZ-SD 4.05Å
349D93.9Very high95.2Very high96 Ų9654.5 Ų54.551%0.51327%0.273SS..  trans-77.976.2176.3-175.714.3000112.1N347 K351 G352 S353N347-D349 PolarHBondContact O-N 2.98Å; D349-K351 PolarHBondContact O-N 3.03Å; D349-K351 PolarHBondContact OD1-N 3.21Å; D349-G352 PolarHBondContact O-N 3.11Å; D349-G352 VanDerWaalsContact O-N 3.12Å; D349-G352 PolarHBondContact OD1-N 3.49Å; D349-G352 VanDerWaalsContact OD2-CA 3.26Å; D349-G352 WeakPolarHBondContact OD2-CA 3.41Å; D349-G352 PolarHBondContact OD2-N 2.92Å; D349-S353 PolarHBondContact O-N 3Å; D349-S353 VanDerWaalsContact O-N 3.12Å
350L96.4Very high95.4Very high23 Ų2355.3 Ų55.312%0.1228%0.276CS..Hα-helixtrans-54.9-35.5176.1-66.4169000112.2Y344 F348 L354 I375 P378 F416 V420Y344-L350 HydrophobicContact CD1-CD2 3.86Å; Y344-L350 HydrophobicContact CD2-CD2 4.05Å; Y344-L350 HydrophobicContact CE1-CD2 4.16Å; Y344-L350 HydrophobicContact CE2-CD2 4.27Å; Y344-L350 HydrophobicContact CG-CD2 3.8Å; F348-L350 VanDerWaalsContact C-N 3.29Å; F348-L350 HydrophobicContact CD1-CD2 3.58Å; F348-L350 HydrophobicContact CD1-CG 3.9Å; F348-L350 HydrophobicContact CE1-CD2 3.93Å; F348-L350 PolarHBondContact O-N 3.48Å; L350-L354 VanDerWaalsContact O-CB 3.27Å; L350-L354 WeakPolarHBondContact O-CB 3.38Å; L350-L354 PolarHBondContact O-N 3.07Å; L350-I375 HydrophobicContact CB-CD1 3.95Å; L350-P378 HydrophobicContact CD1-CG 3.76Å; L350-F416 HydrophobicContact CD2-CE2 3.9Å; L350-F416 HydrophobicContact CD2-CZ 4.45Å; L350-V420 HydrophobicContact CD1-CG1 4.44Å; L350-V420 HydrophobicContact CD2-CG1 4.3Å
351K96.3Very high95.6Very high85 Ų8556.4 Ų56.437%0.3729%0.29SS..Hα-helixtrans-72-38.9-178.9-165.6175.3-177.7172.20110.6D349 L354 R355 L371 I375D349-K351 PolarHBondContact O-N 3.03Å; D349-K351 PolarHBondContact OD1-N 3.21Å; K351-L354 PolarHBondContact O-N 3.42Å; K351-R355 WeakPolarHBondContact O-CB 3.4Å; K351-R355 VanDerWaalsContact O-CG 3.25Å; K351-R355 WeakPolarHBondContact O-CG 3.3Å; K351-R355 PolarHBondContact O-N 2.86Å; K351-L371 HydrophobicContact CG-CD2 3.82Å; K351-I375 HydrophobicContact CB-CD1 4.36Å
352G95.7Very high95.7Very high17 Ų1762 Ų6218%0.17531%0.312CS..Hα-helixtrans-56.1-55.4171.200000112.1D349 L354 R355 Q356D349-G352 PolarHBondContact O-N 3.11Å; D349-G352 VanDerWaalsContact O-N 3.12Å; D349-G352 PolarHBondContact OD1-N 3.49Å; D349-G352 VanDerWaalsContact OD2-CA 3.26Å; D349-G352 WeakPolarHBondContact OD2-CA 3.41Å; D349-G352 PolarHBondContact OD2-N 2.92Å; G352-L354 VanDerWaalsContact C-N 3.33Å; G352-L354 PolarHBondContact O-N 2.7Å; G352-R355 PolarHBondContact O-N 2.93Å; G352-Q356 PolarHBondContact O-N 3.25Å
353S96.1Very high95.7Very high8 Ų861.2 Ų61.26%0.05631%0.307CS..Hα-helixtrans-60.6-40.1177.9-59.40000112.5D349 Q356D349-S353 PolarHBondContact O-N 3Å; D349-S353 VanDerWaalsContact O-N 3.12Å; S353-Q356 PolarHBondContact O-N 3.41Å
354L98Very high95.7Very high1 Ų160.1 Ų60.11%0.00530%0.304CS..Hα-helixtrans-64.4-41.7176.5-177.263.5000112.5L350 K351 G352 Q356 Q357 V367 L370 L371 I375 F416 I417 V420L350-L354 VanDerWaalsContact O-CB 3.27Å; L350-L354 WeakPolarHBondContact O-CB 3.38Å; L350-L354 PolarHBondContact O-N 3.07Å; K351-L354 PolarHBondContact O-N 3.42Å; G352-L354 VanDerWaalsContact C-N 3.33Å; G352-L354 PolarHBondContact O-N 2.7Å; L354-Q356 VanDerWaalsContact C-N 3.27Å; L354-Q356 PolarHBondContact O-N 3.14Å; L354-Q357 PolarHBondContact O-N 3.36Å; L354-V367 HydrophobicContact CD1-CB 4.4Å; L354-V367 HydrophobicContact CD1-CG1 3.81Å; L354-V367 HydrophobicContact CD1-CG2 3.95Å; L354-V367 HydrophobicContact CG-CG1 3.92Å; L354-V367 WeakPolarHBondContact O-CG1 3.47Å; L354-L370 HydrophobicContact CD2-CD2 3.9Å; L354-L370 HydrophobicContact CD2-CG 4.2Å; L354-L371 HydrophobicContact CB-CD2 4.44Å; L354-L371 HydrophobicContact CD2-CD2 3.76Å; L354-L371 HydrophobicContact CD2-CG 3.98Å; L354-L371 HydrophobicContact CG-CD2 4.09Å; L354-L371 HydrophobicContact CG-CG 4.23Å; L354-I375 HydrophobicContact CD2-CG2 3.39Å; L354-F416 HydrophobicContact CB-CE1 4.17Å; L354-F416 HydrophobicContact CB-CZ 4.5Å; L354-F416 HydrophobicContact CD1-CE1 4.38Å; L354-I417 HydrophobicContact CD1-CG1 4.02Å; L354-V420 HydrophobicContact CD1-CG2 4.36Å; L354-V420 HydrophobicContact CD2-CG2 4.35Å
355R97.6Very high95.7Very high126 Ų12665.1 Ų65.148%0.47533%0.332SS..Hα-helixtrans-59.4-36178.7-78.9176.7-167.8124.7-11.9112.9K351 G352 Q357 A358 L371K351-R355 WeakPolarHBondContact O-CB 3.4Å; K351-R355 VanDerWaalsContact O-CG 3.25Å; K351-R355 WeakPolarHBondContact O-CG 3.3Å; K351-R355 PolarHBondContact O-N 2.86Å; G352-R355 PolarHBondContact O-N 2.93Å; R355-Q357 PolarHBondContact O-N 3.26Å; R355-A358 VanDerWaalsContact O-CB 3.26Å; R355-A358 WeakPolarHBondContact O-CB 3.47Å; R355-A358 PolarHBondContact O-N 2.95Å; R355-A358 VanDerWaalsContact O-N 3.14Å; R355-L371 HydrophobicContact CG-CD1 3.88Å; R355-L371 HydrophobicContact CG-CD2 3.89Å
356Q96.6Very high95.9Very high80 Ų8064.3 Ų64.337%0.37433%0.326SS..Hα-helixtrans-59.7-28.3178.2-64.6177.1-5.200112.2G352 S353 L354 M393 K394 S395G352-Q356 PolarHBondContact O-N 3.25Å; S353-Q356 PolarHBondContact O-N 3.41Å; L354-Q356 VanDerWaalsContact C-N 3.27Å; L354-Q356 PolarHBondContact O-N 3.14Å; Q356-M393 PolarHBondContact NE2-O 3.03Å; Q356-M393 VanDerWaalsContact NE2-O 3.08Å; Q356-M393 PolarHBondContact OE1-O 2.97Å; Q356-K394 VanDerWaalsContact OE1-N 3.16Å; Q356-S395 WeakPolarHBondContact O-CB 3.26Å
357Q98.1Very high96.3Very high1 Ų155.7 Ų55.71%0.00529%0.286CS..THydrogen-bonded Turntrans-87.4-3.5-177.4-52.9-52.9-36.900113.5L354 R355 N359 H360 W363 V367 Y409 T413L354-Q357 PolarHBondContact O-N 3.36Å; R355-Q357 PolarHBondContact O-N 3.26Å; Q357-N359 PolarHBondContact O-N 3.02Å; Q357-N359 VanDerWaalsContact O-N 3.12Å; Q357-H360 PolarHBondContact O-N 3.02Å; Q357-W363 PolarHBondContact O-NE1 3.17Å; Q357-V367 HydrophobicContact CB-CG2 4.4Å; Q357-Y409 PolarHBondContact NE2-OH 2.94Å; Q357-Y409 VanDerWaalsContact NE2-OH 3.16Å; Q357-Y409 PolarHBondContact OE1-OH 3.42Å; Q357-T413 HydrophobicContact CB-CG2 4.46Å; Q357-T413 HydrophobicContact CG-CG2 3.87Å
358A97.5Very high96.8Very high12 Ų1253.9 Ų53.910%0.09927%0.271CS..THydrogen-bonded Turntrans-68.7-11.8-171.100000115.2R355 A364 V367 K368 L371R355-A358 VanDerWaalsContact O-CB 3.26Å; R355-A358 WeakPolarHBondContact O-CB 3.47Å; R355-A358 PolarHBondContact O-N 2.95Å; R355-A358 VanDerWaalsContact O-N 3.14Å; A358-A364 WeakPolarHBondContact O-CA 3.26Å; A358-A364 WeakPolarHBondContact O-CB 3.37Å; A358-V367 HydrophobicContact CB-CG1 3.76Å; A358-K368 HydrophobicContact CB-CG 4.38Å; A358-K368 VanDerWaalsContact O-CE 3.27Å; A358-K368 WeakPolarHBondContact O-CE 3.43Å; A358-L371 HydrophobicContact CB-CD1 4.33Å
359N97.3Very high97.1Very high137 Ų13757.2 Ų57.273%0.73328%0.282SS*.THydrogen-bonded Turntrans-107.6-2.9-175.8-65.3-32.7000113.8Q357Q357-N359 PolarHBondContact O-N 3.02Å; Q357-N359 VanDerWaalsContact O-N 3.12Å
360H97.7Very high97.3Very high20 Ų2053 Ų539%0.09326%0.26CS..  trans-79.3129.4-179.6-169.4-90.6000111.3Q357 Y362 W363 A364 A396 W406Q357-H360 PolarHBondContact O-N 3.02Å; H360-Y362 AromaticContact CE1-CD2 3.56Å; H360-Y362 AromaticContact CE1-CG 3.54Å; H360-Y362 AromaticContact ND1-CG 3.82Å; H360-Y362 PolarHBondContact ND1-N 2.83Å; H360-Y362 PolarHBondContact O-N 2.82Å; H360-W363 HydrophobicContact CB-CD2 4.42Å; H360-W363 HydrophobicContact CB-CZ2 3.93Å; H360-W363 AromaticContact CG-CE2 3.74Å; H360-W363 AromaticContact CG-CZ2 3.61Å; H360-W363 AromaticContact ND1-CD2 3.91Å; H360-W363 AromaticContact ND1-CE2 3.63Å; H360-W363 AromaticContact ND1-CH2 3.69Å; H360-W363 AromaticContact ND1-CZ2 3.52Å; H360-W363 AromaticContact ND1-CZ3 3.96Å; H360-W363 PolarHBondContact O-N 2.94Å; H360-A364 WeakPolarHBondContact O-CA 3.28Å; H360-A364 WeakPolarHBondContact O-CB 3.22Å; H360-A364 PolarHBondContact O-N 3.15Å; H360-A396 PolarHBondContact CD2-O 3.25Å; H360-W406 AromaticContact CD2-CH2 3.93Å; H360-W406 AromaticContact CE1-CH2 3.5Å; H360-W406 AromaticContact CE1-CZ2 3.71Å; H360-W406 AromaticContact NE2-CH2 3.19Å; H360-W406 WeakPolarHBondContact NE2-CH2 3.37Å; H360-W406 AromaticContact NE2-CZ2 3.73Å
361P97.2Very high97.3Very high110 Ų11053.7 Ų53.771%0.71426%0.263SS*.THydrogen-bonded Turntrans-55.2-32.3-172.1-28.235.1000115.3W363P361-W363 VanDerWaalsContact C-N 3.34Å; P361-W363 PolarHBondContact O-N 2.99Å
362Y97.1Very high97.3Very high119 Ų11953.8 Ų53.847%0.46728%0.28SS..THydrogen-bonded Turntrans-72.9-22.4-175.5-66.4-5.6000114.9H360 W406H360-Y362 AromaticContact CE1-CD2 3.56Å; H360-Y362 AromaticContact CE1-CG 3.54Å; H360-Y362 AromaticContact ND1-CG 3.82Å; H360-Y362 PolarHBondContact ND1-N 2.83Å; H360-Y362 PolarHBondContact O-N 2.82Å; Y362-W406 HydrophobicContact CD2-CZ2 4.17Å; Y362-W406 AromaticContact CE2-CZ2 3.95Å; Y362-W406 HydrophobicContact CE2-CZ2 3.95Å
363W98.1Very high97.2Very high3 Ų359.1 Ų59.11%0.01130%0.3CS..THydrogen-bonded Turntrans-145.76.5-17352.169.6000114.3Q357 H360 P361 D365 T366 V367 W406 E410 T413 R414 I417 I455Q357-W363 PolarHBondContact O-NE1 3.17Å; H360-W363 HydrophobicContact CB-CD2 4.42Å; H360-W363 HydrophobicContact CB-CZ2 3.93Å; H360-W363 AromaticContact CG-CE2 3.74Å; H360-W363 AromaticContact CG-CZ2 3.61Å; H360-W363 AromaticContact ND1-CD2 3.91Å; H360-W363 AromaticContact ND1-CE2 3.63Å; H360-W363 AromaticContact ND1-CH2 3.69Å; H360-W363 AromaticContact ND1-CZ2 3.52Å; H360-W363 AromaticContact ND1-CZ3 3.96Å; H360-W363 PolarHBondContact O-N 2.94Å; P361-W363 VanDerWaalsContact C-N 3.34Å; P361-W363 PolarHBondContact O-N 2.99Å; W363-D365 VanDerWaalsContact C-N 3.31Å; W363-D365 PolarHBondContact O-N 2.85Å; W363-T366 PolarHBondContact O-N 3.41Å; W363-V367 HydrophobicContact CB-CG2 4.49Å; W363-V367 WeakPolarHBondContact O-CB 3.43Å; W363-V367 VanDerWaalsContact O-CG2 3.31Å; W363-V367 WeakPolarHBondContact O-CG2 3.36Å; W363-V367 PolarHBondContact O-N 3.17Å; W363-W406 AromaticContact CH2-CH2 3.83Å; W363-W406 HydrophobicContact CH2-CH2 3.83Å; W363-W406 HydrophobicContact CH2-CZ2 4.24Å; W363-W406 HydrophobicContact CZ2-CH2 4.46Å; W363-E410 HydrophobicContact CH2-CG 4.39Å; W363-E410 HydrophobicContact CZ3-CG 3.95Å; W363-T413 HydrophobicContact CH2-CG2 4.16Å; W363-T413 HydrophobicContact CZ2-CG2 3.55Å; W363-R414 HydrophobicContact CE3-CG 4Å; W363-R414 HydrophobicContact CZ3-CG 4.08Å; W363-I417 HydrophobicContact CB-CD1 4.2Å; W363-I417 HydrophobicContact CD2-CD1 4.23Å; W363-I417 HydrophobicContact CG-CD1 3.81Å; W363-I455 HydrophobicContact CB-CD1 3.38Å; W363-I455 HydrophobicContact CE3-CD1 4.44Å; W363-I455 HydrophobicContact CG-CD1 4.21Å
364A97.7Very high97Very high11 Ų1160.3 Ų60.39%0.09131%0.314CS..Hα-helixtrans-51.9-48.1179.500000112.2A358 H360 V367 K368A358-A364 WeakPolarHBondContact O-CA 3.26Å; A358-A364 WeakPolarHBondContact O-CB 3.37Å; H360-A364 WeakPolarHBondContact O-CA 3.28Å; H360-A364 WeakPolarHBondContact O-CB 3.22Å; H360-A364 PolarHBondContact O-N 3.15Å; A364-V367 PolarHBondContact O-N 2.75Å; A364-K368 WeakPolarHBondContact O-CB 3.48Å; A364-K368 VanDerWaalsContact O-CG 3.23Å; A364-K368 WeakPolarHBondContact O-CG 3.37Å; A364-K368 PolarHBondContact O-N 3.33Å
365D97.4Very high96.9Very high116 Ų11662.9 Ų62.962%0.6233%0.327SS*.Hα-helixtrans-66.6-44.6-176.5-65.3-24.1000111.9W363 V367 K368 R369W363-D365 VanDerWaalsContact C-N 3.31Å; W363-D365 PolarHBondContact O-N 2.85Å; D365-V367 PolarHBondContact O-N 3.31Å; D365-K368 PolarHBondContact O-N 3.39Å; D365-R369 WeakPolarHBondContact O-CB 3.39Å; D365-R369 PolarHBondContact O-N 3.03Å
366T97.7Very high96.8Very high21 Ų2158.7 Ų58.713%0.12931%0.314CS..Hα-helixtrans-61.1-44.7176.1-49.80000111.1W363 R369 L370 E454W363-T366 PolarHBondContact O-N 3.41Å; T366-R369 PolarHBondContact O-N 2.69Å; T366-L370 WeakPolarHBondContact O-CB 3.41Å; T366-L370 PolarHBondContact O-N 2.91Å; T366-E454 PolarHBondContact OG1-OE1 2.89Å
367V98.1Very high96.7Very high0 Ų065 Ų650%034%0.335CS..Hα-helixtrans-66.5-45.3179.4170.70000111.7L354 Q357 A358 W363 A364 D365 R369 L370 L371 I417L354-V367 HydrophobicContact CD1-CB 4.4Å; L354-V367 HydrophobicContact CD1-CG1 3.81Å; L354-V367 HydrophobicContact CD1-CG2 3.95Å; L354-V367 HydrophobicContact CG-CG1 3.92Å; L354-V367 WeakPolarHBondContact O-CG1 3.47Å; Q357-V367 HydrophobicContact CB-CG2 4.4Å; A358-V367 HydrophobicContact CB-CG1 3.76Å; W363-V367 HydrophobicContact CB-CG2 4.49Å; W363-V367 WeakPolarHBondContact O-CB 3.43Å; W363-V367 VanDerWaalsContact O-CG2 3.31Å; W363-V367 WeakPolarHBondContact O-CG2 3.36Å; W363-V367 PolarHBondContact O-N 3.17Å; A364-V367 PolarHBondContact O-N 2.75Å; D365-V367 PolarHBondContact O-N 3.31Å; V367-R369 VanDerWaalsContact C-N 3.32Å; V367-R369 PolarHBondContact O-N 3.29Å; V367-L370 PolarHBondContact O-N 2.97Å; V367-L371 HydrophobicContact CG1-CD1 3.87Å; V367-L371 HydrophobicContact CG1-CG 4.4Å; V367-L371 WeakPolarHBondContact O-CB 3.4Å; V367-L371 VanDerWaalsContact O-CG 3.32Å; V367-L371 WeakPolarHBondContact O-CG 3.18Å; V367-L371 PolarHBondContact O-N 3.41Å; V367-I417 HydrophobicContact CG2-CD1 3.72Å; V367-I417 HydrophobicContact CG2-CG1 4.13Å; V367-I417 HydrophobicContact CG2-CG2 4.34Å
368K97.9Very high96.7Very high109 Ų10966.7 Ų66.747%0.47435%0.346SS..Hα-helixtrans-60.6-42.6177.4-75.3171.9-176.1172.20111.4A358 A364 D365 L371 A372A358-K368 HydrophobicContact CB-CG 4.38Å; A358-K368 VanDerWaalsContact O-CE 3.27Å; A358-K368 WeakPolarHBondContact O-CE 3.43Å; A364-K368 WeakPolarHBondContact O-CB 3.48Å; A364-K368 VanDerWaalsContact O-CG 3.23Å; A364-K368 WeakPolarHBondContact O-CG 3.37Å; A364-K368 PolarHBondContact O-N 3.33Å; D365-K368 PolarHBondContact O-N 3.39Å; K368-L371 PolarHBondContact O-N 3.27Å; K368-A372 PolarHBondContact O-N 3.2Å; K368-A372 VanDerWaalsContact O-N 3.13Å
369R97.4Very high96.7Very high106 Ų10670.9 Ų70.940%0.436%0.359SS..Hα-helixtrans-61.7-48.5176-162.3-170.4-49.4131.37.1111.3D365 T366 V367 L371 A372 E373 E454D365-R369 WeakPolarHBondContact O-CB 3.39Å; D365-R369 PolarHBondContact O-N 3.03Å; T366-R369 PolarHBondContact O-N 2.69Å; V367-R369 VanDerWaalsContact C-N 3.32Å; V367-R369 PolarHBondContact O-N 3.29Å; R369-L371 VanDerWaalsContact C-N 3.31Å; R369-L371 PolarHBondContact O-N 2.79Å; R369-A372 PolarHBondContact O-N 2.84Å; R369-A372 VanDerWaalsContact O-N 3.07Å; R369-E373 WeakPolarHBondContact CD-OE1 3.17Å; R369-E373 HydrophobicContact CG-CG 4.45Å; R369-E373 VanDerWaalsContact CG-OE1 3.26Å; R369-E373 WeakPolarHBondContact CG-OE1 3.2Å; R369-E373 WeakPolarHBondContact O-CG 3.46Å; R369-E373 PolarHBondContact O-N 2.77Å; R369-E454 IonicContact CZ-OE1 3.53Å; R369-E454 IonicContact NH1-OE1 3.69Å; R369-E454 PolarHBondContact NH1-OE1 2.96Å; R369-E454 IonicContact NH1-OE2 3.78Å; R369-E454 PolarHBondContact NH1-OE2 2.99Å; R369-E454 IonicContact NH2-OE1 2.63Å; R369-E454 PolarHBondContact NH2-OE1 2.9Å
370L96.7Very high96.6Very high9 Ų972.7 Ų72.75%0.04736%0.36CS..Hα-helixtrans-62.9-35.6179.1-171.562.3000112.9L354 T366 V367 A372 G374 I375 V420L354-L370 HydrophobicContact CD2-CD2 3.9Å; L354-L370 HydrophobicContact CD2-CG 4.2Å; T366-L370 WeakPolarHBondContact O-CB 3.41Å; T366-L370 PolarHBondContact O-N 2.91Å; V367-L370 PolarHBondContact O-N 2.97Å; L370-A372 VanDerWaalsContact C-N 3.33Å; L370-G374 CarbonylContact O-C 3.56Å; L370-G374 VanDerWaalsContact O-C 3.24Å; L370-G374 WeakPolarHBondContact O-CA 3.04Å; L370-G374 PolarHBondContact O-N 3.3Å; L370-I375 HydrophobicContact CG-CG2 4.42Å; L370-V420 HydrophobicContact CD2-CG2 3.97Å
371L96.9Very high96.5Very high36 Ų3672.9 Ų72.919%0.18837%0.367CS..Hα-helixtrans-68.7-30.9174.6-74.3168.4000113.1K351 L354 R355 A358 V367 K368 R369K351-L371 HydrophobicContact CG-CD2 3.82Å; L354-L371 HydrophobicContact CB-CD2 4.44Å; L354-L371 HydrophobicContact CD2-CD2 3.76Å; L354-L371 HydrophobicContact CD2-CG 3.98Å; L354-L371 HydrophobicContact CG-CD2 4.09Å; L354-L371 HydrophobicContact CG-CG 4.23Å; R355-L371 HydrophobicContact CG-CD1 3.88Å; R355-L371 HydrophobicContact CG-CD2 3.89Å; A358-L371 HydrophobicContact CB-CD1 4.33Å; V367-L371 HydrophobicContact CG1-CD1 3.87Å; V367-L371 HydrophobicContact CG1-CG 4.4Å; V367-L371 WeakPolarHBondContact O-CB 3.4Å; V367-L371 VanDerWaalsContact O-CG 3.32Å; V367-L371 WeakPolarHBondContact O-CG 3.18Å; V367-L371 PolarHBondContact O-N 3.41Å; K368-L371 PolarHBondContact O-N 3.27Å; R369-L371 VanDerWaalsContact C-N 3.31Å; R369-L371 PolarHBondContact O-N 2.79Å
372A96.7Very high96.4Very high88 Ų8873.3 Ų73.373%0.72736%0.36SS*.Hα-helixtrans-80.1-43.7178.100000112.3K368 R369 L370 G374K368-A372 PolarHBondContact O-N 3.2Å; K368-A372 VanDerWaalsContact O-N 3.13Å; R369-A372 PolarHBondContact O-N 2.84Å; R369-A372 VanDerWaalsContact O-N 3.07Å; L370-A372 VanDerWaalsContact C-N 3.33Å; A372-G374 VanDerWaalsContact C-N 3.29Å; A372-G374 PolarHBondContact O-N 3.47Å
373E93.9Very high96.3Very high128 Ų12872.1 Ų72.160%0.59836%0.361SS*.Hα-helixtrans-69.5-28.6176.5-69.4174-175.600112.2R369R369-E373 WeakPolarHBondContact CD-OE1 3.17Å; R369-E373 HydrophobicContact CG-CG 4.45Å; R369-E373 VanDerWaalsContact CG-OE1 3.26Å; R369-E373 WeakPolarHBondContact CG-OE1 3.2Å; R369-E373 WeakPolarHBondContact O-CG 3.46Å; R369-E373 PolarHBondContact O-N 2.77Å
374G91.9Very high96Very high34 Ų3474 Ų7435%0.35138%0.377SS..  trans102.6132.3-17400000111L370 A372L370-G374 CarbonylContact O-C 3.56Å; L370-G374 VanDerWaalsContact O-C 3.24Å; L370-G374 WeakPolarHBondContact O-CA 3.04Å; L370-G374 PolarHBondContact O-N 3.3Å; A372-G374 VanDerWaalsContact C-N 3.29Å; A372-G374 PolarHBondContact O-N 3.47Å
375I95.3Very high95.4Very high54 Ų5476.6 Ų76.628%0.27741%0.406SS..PPolyproline II helixtrans-63.7139.4-179.565.5175000110.6L350 K351 L354 L370L350-I375 HydrophobicContact CB-CD1 3.95Å; K351-I375 HydrophobicContact CB-CD1 4.36Å; L354-I375 HydrophobicContact CD2-CG2 3.39Å; L370-I375 HydrophobicContact CG-CG2 4.42Å
376N95.8Very high95Very high38 Ų3874.1 Ų74.120%0.20339%0.392CS..PPolyproline II helixtrans-75.6144.8171.2-171.825.7000109.4V420 S421N376-V420 WeakPolarHBondContact CB-O 3.34Å; N376-V420 PolarHBondContact N-O 3.07Å; N376-S421 WeakPolarHBondContact CB-O 3.45Å; N376-S421 PolarHBondContact ND2-O 3.39Å
377R95.4Very high94.9Very high214 Ų21473.7 Ų73.781%0.80839%0.389SS*.PPolyproline II helixtrans-62.6129.8174.6-70.4-177.9-178175.6-0.2108.8R297R297-R377 PolarHBondContact NH2-O 3.25Å
378P97.1Very high94.8Very high35 Ų3574.8 Ų74.823%0.22740%0.396CS..PPolyproline II helixtrans-62.7154.8177.427.7-34.9000110.7Y344 L350 T419Y344-P378 HydrophobicContact CD2-CB 3.46Å; Y344-P378 VanDerWaalsContact CD2-CB 3.46Å; Y344-P378 HydrophobicContact CD2-CG 3.49Å; Y344-P378 VanDerWaalsContact CD2-CG 3.49Å; Y344-P378 HydrophobicContact CE2-CB 3.62Å; Y344-P378 HydrophobicContact CE2-CG 4.12Å; Y344-P378 HydrophobicContact CG-CG 4.41Å; L350-P378 HydrophobicContact CD1-CG 3.76Å; P378-T419 WeakPolarHBondContact CA-O 3.32Å
379R97.3Very high94.8Very high101 Ų10169.6 Ų69.638%0.38137%0.373SS..PPolyproline II helixtrans-67.6135.9179.8-176.2177.1170.1167.85.5109.6Q296 L299 G381Q296-R379 VanDerWaalsContact OE1-CZ 3.27Å; L299-R379 HydrophobicContact CD2-CB 4.14Å; L299-R379 HydrophobicContact CD2-CG 3.74Å; R379-G381 PolarHBondContact O-N 3.41Å; R379-G381 VanDerWaalsContact O-N 3.15Å
380K95.8Very high94.9Very high175 Ų17564.6 Ų64.676%0.76135%0.354SS*.  trans-65.3113.8175.9-169.4175.9-174.7178.10109.9
381G96Very high95Very high23 Ų2364.1 Ų64.124%0.23735%0.352CS..  trans-98.9-153.8170.300000112.7T342 R379T342-G381 WeakPolarHBondContact O-CA 3.43Å; R379-G381 PolarHBondContact O-N 3.41Å; R379-G381 VanDerWaalsContact O-N 3.15Å
382H95.4Very high95Very high120 Ų12062.4 Ų62.456%0.55634%0.343SS*.  trans-98.5136.6174.1179.358.5000110.2T342 H343T342-H382 PolarHBondContact N-O 2.97Å; T342-H382 PolarHBondContact OG1-N 3.02Å; T342-H382 PolarHBondContact OG1-O 2.92Å; H343-H382 PolarHBondContact N-O 2.96Å
383D95Very high95Very high93 Ų9359.3 Ų59.350%0.49731%0.314SS..  trans-105.3113.8171.3-179.79.6000108H343 G385H343-D383 HydrophobicContact CB-CB 4.17Å; D383-G385 VanDerWaalsContact C-N 3.3Å; D383-G385 PolarHBondContact OD1-N 2.74Å
384A89.9Confident95.1Very high42 Ų4258.1 Ų58.135%0.34731%0.307SS..  trans-84.9-8.9178.800000111.9E340 T341 D386E340-A384 HydrophobicContact CB-CB 3.91Å; T341-A384 PolarHBondContact OG1-N 3.1Å; A384-D386 VanDerWaalsContact C-N 3.28Å
385G86.3Confident95.3Very high67 Ų6759.3 Ų59.369%0.69131%0.31SS*.SBendtrans74.216.5-177.400000114.1D383D383-G385 VanDerWaalsContact C-N 3.3Å; D383-G385 PolarHBondContact OD1-N 2.74Å
386D89.7Confident95.4Very high64 Ų6456.9 Ų56.934%0.34230%0.298SS..SBendtrans-93.4-76.7178.156.8-4.6000111.5T339 E340 T341 A384T339-D386 WeakPolarHBondContact CA-OD2 3.46Å; T339-D386 PolarHBondContact OG1-OD1 3.15Å; T339-D386 PolarHBondContact OG1-OD2 3.05Å; E340-D386 PolarHBondContact N-OD2 3.44Å; T341-D386 WeakPolarHBondContact CB-OD1 3.34Å; T341-D386 PolarHBondContact OG1-OD1 3.02Å; A384-D386 VanDerWaalsContact C-N 3.28Å
387H94.5Very high95.5Very high11 Ų1157.6 Ų57.65%0.05130%0.304CS..  trans-140159.2-174.7-72.1-74.9000110.4C118 S153 Y336 T339 T341C118-H387 PolarHBondContact O-NE2 3.25Å; S153-H387 PolarHBondContact OG-ND1 3.41Å; Y336-H387 AromaticContact CD1-CD2 3.52Å; Y336-H387 AromaticContact CD1-CE1 3.78Å; Y336-H387 AromaticContact CD1-NE2 3.22Å; Y336-H387 WeakPolarHBondContact CD1-NE2 3.11Å; Y336-H387 AromaticContact CE1-NE2 3.73Å; Y336-H387 AromaticContact CG-NE2 4Å; T339-H387 PolarHBondContact OG1-O 3.05Å; T341-H387 WeakPolarHBondContact CB-O 3.22Å; T341-H387 WeakPolarHBondContact CG2-O 3.44Å; T341-H387 PolarHBondContact OG1-O 3.39Å
388P96Very high95.5Very high23 Ų2352.1 Ų52.115%0.14929%0.287CS..  trans-60.1159.5165.7-19.732.7000111.3S153 P345 F348S153-P388 VanDerWaalsContact CB-CD 3.5Å; S153-P388 VanDerWaalsContact OG-CD 3.23Å; S153-P388 WeakPolarHBondContact OG-CD 3.42Å; P345-P388 HydrophobicContact CG-CB 4.38Å; P345-P388 HydrophobicContact CG-CG 4.24Å; F348-P388 HydrophobicContact CD2-CB 4.33Å; F348-P388 HydrophobicContact CE2-CB 4.37Å
389P98.4Very high95.5Very high0 Ų055.3 Ų55.30%032%0.316CS..  trans-53.8159.1173.4-24.134.1000112.6A300 L301 S335 T341 H343 Y344 T391A300-P389 HydrophobicContact CB-CB 3.52Å; A300-P389 HydrophobicContact CB-CG 3.46Å; A300-P389 VanDerWaalsContact CB-CG 3.46Å; L301-P389 WeakPolarHBondContact O-CA 3.33Å; L301-P389 WeakPolarHBondContact O-CB 3.18Å; S335-P389 PolarHBondContact OG-O 3.14Å; T341-P389 HydrophobicContact CG2-CG 4.18Å; H343-P389 VanDerWaalsContact O-CD 3.28Å; H343-P389 WeakPolarHBondContact O-CD 3.24Å; Y344-P389 HydrophobicContact CD1-CB 4.23Å; Y344-P389 HydrophobicContact CD1-CG 3.75Å; Y344-P389 HydrophobicContact CE1-CB 3.83Å; Y344-P389 HydrophobicContact CE1-CG 3.85Å; Y344-P389 HydrophobicContact CG-CG 4.28Å; P389-T391 WeakPolarHBondContact O-CG2 3.41Å; P389-T391 PolarHBondContact O-N 3.04Å; P389-T391 VanDerWaalsContact O-N 3.09Å; P389-T391 PolarHBondContact O-OG1 3.04Å
390I98.7Very high95.4Very high1 Ų155.4 Ų55.41%0.00532%0.321CS..SBendtrans-68.1109.6179.9-51.4178.3000109.2L301 M306 I334 S335 P337 T339 I412L301-I390 HydrophobicContact CB-CB 4.36Å; L301-I390 HydrophobicContact CD2-CB 4.17Å; L301-I390 HydrophobicContact CD2-CG2 4.4Å; L301-I390 HydrophobicContact CG-CB 4.33Å; L301-I390 PolarHBondContact O-N 3.22Å; M306-I390 HydrophobicContact CB-CD1 4.13Å; M306-I390 HydrophobicContact CE-CD1 4.06Å; M306-I390 HydrophobicContact SD-CD1 3.77Å; I334-I390 HydrophobicContact CD1-CG2 4.15Å; S335-I390 WeakPolarHBondContact OG-CA 3.38Å; P337-I390 HydrophobicContact CB-CD1 4.34Å; P337-I390 WeakPolarHBondContact O-CD1 3.4Å; T339-I390 HydrophobicContact CG2-CD1 4.49Å; T339-I390 HydrophobicContact CG2-CG1 3.79Å; I390-I412 HydrophobicContact CG2-CD1 4.12Å; I390-I412 HydrophobicContact CG2-CG1 4.45Å; I390-I412 HydrophobicContact CG2-CG2 4.17Å
391T98.5Very high95.4Very high0 Ų048.2 Ų48.20%029%0.291CS..  trans-130.6146.3-170.348.70000112.2I334 S335 Y344 F348 P389 M393 F416I334-T391 CarbonylContact C-O 3.45Å; I334-T391 WeakPolarHBondContact CA-O 3.49Å; S335-T391 PolarHBondContact N-O 3.47Å; S335-T391 PolarHBondContact OG-N 3.28Å; S335-T391 PolarHBondContact OG-OG1 3.45Å; S335-T391 VanDerWaalsContact OG-OG1 3.14Å; Y344-T391 HydrophobicContact CD1-CG2 4.23Å; Y344-T391 HydrophobicContact CE1-CG2 3.39Å; F348-T391 HydrophobicContact CE1-CG2 4.49Å; F348-T391 HydrophobicContact CZ-CG2 4.09Å; P389-T391 WeakPolarHBondContact O-CG2 3.41Å; P389-T391 PolarHBondContact O-N 3.04Å; P389-T391 VanDerWaalsContact O-N 3.09Å; P389-T391 PolarHBondContact O-OG1 3.04Å; T391-M393 PolarHBondContact O-N 3.03Å; T391-M393 PolarHBondContact OG1-SD 2.89Å; T391-F416 HydrophobicContact CG2-CD2 3.93Å; T391-F416 HydrophobicContact CG2-CE2 4.25Å
392P98.3Very high95.2Very high0 Ų048.7 Ų48.70%030%0.296CS..BIsolated β-bridgetrans-68.4127.6169.331.4-34.8000110.5Y333 Y409 T413 F416Y333-P392 CarbonylContact O-C 3.53Å; Y333-P392 WeakPolarHBondContact O-CA 3.38Å; P392-Y409 HydrophobicContact CB-CE2 4.3Å; P392-T413 HydrophobicContact CG-CG2 4.41Å; P392-F416 VanDerWaalsContact CD-CB 3.48Å; P392-F416 HydrophobicContact CG-CB 3.96Å; P392-F416 HydrophobicContact CG-CD1 3.6Å; P392-F416 HydrophobicContact CG-CE1 4.31Å; P392-F416 HydrophobicContact CG-CG 3.84Å
393M96.3Very high95.2Very high23 Ų2345.3 Ų45.311%0.11329%0.294CS..  trans-109.9-11.9-177.2-59-53.3-64.800113.3T156 Y333 F348 Q356 T391T156-M393 HydrophobicContact CG2-CB 3.82Å; T156-M393 HydrophobicContact CG2-CE 4.01Å; Y333-M393 PolarHBondContact O-N 2.9Å; F348-M393 HydrophobicContact CE2-CE 4.49Å; F348-M393 HydrophobicContact CE2-SD 4.41Å; F348-M393 HydrophobicContact CZ-CE 4.43Å; F348-M393 HydrophobicContact CZ-SD 4.05Å; Q356-M393 PolarHBondContact NE2-O 3.03Å; Q356-M393 VanDerWaalsContact NE2-O 3.08Å; Q356-M393 PolarHBondContact OE1-O 2.97Å; T391-M393 PolarHBondContact O-N 3.03Å; T391-M393 PolarHBondContact OG1-SD 2.89Å
394K95.3Very high95.4Very high102 Ų10243.4 Ų43.444%0.44328%0.284SS..SBendtrans-151.6144.9177.2-173.5-175.2172.3-169.10109.4G332 Y333 Q356 Y409G332-K394 WeakPolarHBondContact O-CB 3.49Å; Y333-K394 HydrophobicContact CD1-CB 4.22Å; Y333-K394 HydrophobicContact CD1-CD 4.32Å; Y333-K394 HydrophobicContact CD1-CG 4.45Å; Y333-K394 HydrophobicContact CE1-CD 4.21Å; Q356-K394 VanDerWaalsContact OE1-N 3.16Å; K394-Y409 PolarHBondContact O-OH 2.94Å
395S96.8Very high95.7Very high60 Ų6041.6 Ų41.642%0.4227%0.268SS..  trans-65.7144.8171.661.90000111.8Y333 Q356Y333-S395 WeakPolarHBondContact CE1-O 3.5Å; Q356-S395 WeakPolarHBondContact O-CB 3.26Å
396A97.4Very high96.3Very high3 Ų338.5 Ų38.53%0.02524%0.236CC..  trans-138.2163.7173.800000110.9Y333 H360 L401 Y409Y333-A396 HydrophobicContact CD1-CB 3.57Å; Y333-A396 HydrophobicContact CE1-CB 3.35Å; Y333-A396 HydrophobicContact CG-CB 4.49Å; H360-A396 PolarHBondContact CD2-O 3.25Å; A396-L401 HydrophobicContact CB-CD1 3.55Å; A396-L401 HydrophobicContact CB-CG 3.99Å; A396-Y409 HydrophobicContact CB-CD1 4Å; A396-Y409 HydrophobicContact CB-CD2 4.46Å; A396-Y409 HydrophobicContact CB-CE1 3.61Å; A396-Y409 HydrophobicContact CB-CE2 4.09Å; A396-Y409 HydrophobicContact CB-CG 4.43Å; A396-Y409 PolarHBondContact N-OH 2.9Å
397T97.4Very high96.8Very high53 Ų5340 Ų4033%0.32524%0.236SC..  trans-122.9160.4170.861.60000110.7A399 E400 L401 W406T397-A399 PolarHBondContact O-N 3.33Å; T397-E400 PolarHBondContact O-N 2.96Å; T397-E400 VanDerWaalsContact O-N 3.15Å; T397-E400 WeakPolarHBondContact OG1-CG 3.28Å; T397-E400 PolarHBondContact OG1-OE1 3.42Å; T397-L401 PolarHBondContact O-N 2.96Å; T397-W406 VanDerWaalsContact C-CE3 3.45Å; T397-W406 VanDerWaalsContact C-CZ3 3.46Å
398E96.6Very high97Very high99 Ų9939.4 Ų39.446%0.46323%0.234SC..Hα-helixtrans-59.2-34.6176.1-175.2167.9-155.800112.2E400 L401 G402 W406E398-E400 VanDerWaalsContact C-N 3.31Å; E398-E400 PolarHBondContact O-N 2.93Å; E398-L401 PolarHBondContact O-N 2.9Å; E398-G402 WeakPolarHBondContact O-CA 3.4Å; E398-G402 PolarHBondContact O-N 2.91Å; E398-W406 VanDerWaalsContact CA-CD2 3.48Å; E398-W406 HydrophobicContact CB-CD2 3.66Å; E398-W406 HydrophobicContact CB-CE3 4.21Å; E398-W406 HydrophobicContact CB-CG 3.76Å; E398-W406 HydrophobicContact CB-CZ2 4.36Å; E398-W406 HydrophobicContact CG-CB 4.21Å; E398-W406 HydrophobicContact CG-CD2 4.14Å; E398-W406 HydrophobicContact CG-CG 3.67Å
399A96.3Very high97.1Very high101 Ų10138.3 Ų38.384%0.83523%0.227SC*.Hα-helixtrans-65.5-3217800000113.2T397T397-A399 PolarHBondContact O-N 3.33Å
400E95.5Very high97.1Very high104 Ų10440.2 Ų40.249%0.48624%0.236SC..Hα-helixtrans-77.5-43.1177.5-72164-129.100112.5Y333 T397 E398Y333-E400 PolarHBondContact OH-OE2 3.15Å; T397-E400 PolarHBondContact O-N 2.96Å; T397-E400 VanDerWaalsContact O-N 3.15Å; T397-E400 WeakPolarHBondContact OG1-CG 3.28Å; T397-E400 PolarHBondContact OG1-OE1 3.42Å; E398-E400 VanDerWaalsContact C-N 3.31Å; E398-E400 PolarHBondContact O-N 2.93Å
401L95.5Very high97.1Very high23 Ų2340.7 Ų40.712%0.1224%0.237CC..Hα-helixtrans-91.7-41.7-170.3-73.4-177.3000113.2L328 Y333 A396 T397 E398 A405 W406 Y409L328-L401 HydrophobicContact CD2-CD1 3.76Å; L328-L401 HydrophobicContact CD2-CD2 3.63Å; L328-L401 HydrophobicContact CD2-CG 4.34Å; Y333-L401 HydrophobicContact CD2-CD2 3.68Å; Y333-L401 HydrophobicContact CE2-CD2 3.42Å; Y333-L401 VanDerWaalsContact CE2-CD2 3.42Å; Y333-L401 HydrophobicContact CE2-CG 4.4Å; Y333-L401 HydrophobicContact CG-CD2 4.39Å; A396-L401 HydrophobicContact CB-CD1 3.55Å; A396-L401 HydrophobicContact CB-CG 3.99Å; T397-L401 PolarHBondContact O-N 2.96Å; E398-L401 PolarHBondContact O-N 2.9Å; L401-A405 HydrophobicContact CB-CB 4.02Å; L401-A405 HydrophobicContact CD2-CB 4.48Å; L401-A405 WeakPolarHBondContact O-CB 3.31Å; L401-W406 HydrophobicContact CB-CB 4.11Å; L401-W406 HydrophobicContact CD1-CE3 4.17Å; L401-Y409 HydrophobicContact CD1-CD1 3.9Å; L401-Y409 HydrophobicContact CD1-CD2 4.12Å; L401-Y409 HydrophobicContact CD1-CG 3.58Å
402G92Very high97.1Very high33 Ų3340.7 Ų40.734%0.3424%0.237SC..  trans63.4154.9-176.500000115.3E398 D404 A405 W406E398-G402 WeakPolarHBondContact O-CA 3.4Å; E398-G402 PolarHBondContact O-N 2.91Å; G402-D404 PolarHBondContact O-N 2.73Å; G402-A405 WeakPolarHBondContact O-CB 3.32Å; G402-A405 PolarHBondContact O-N 2.74Å; G402-W406 PolarHBondContact O-N 3.46Å
403G95.6Very high97.2Very high50 Ų5040.7 Ų40.752%0.51524%0.237SC..Hα-helixtrans44.7-127165.500000115.3A405 W406 R407G403-A405 VanDerWaalsContact C-N 3.35Å; G403-A405 PolarHBondContact O-N 3.48Å; G403-W406 PolarHBondContact O-N 3.42Å; G403-R407 WeakPolarHBondContact O-CG 3.42Å; G403-R407 PolarHBondContact O-N 3.48Å
404D97.6Very high97.3Very high53 Ų5341 Ų4128%0.28324%0.238SC..Hα-helixtrans-69.6-28.5-176.5-70.8-22.5000113.9M316 H320 G402 W406 R407 L408M316-D404 HydrophobicContact CE-CB 3.57Å; M316-D404 WeakPolarHBondContact CE-O 3.44Å; M316-D404 HydrophobicContact SD-CB 4.42Å; H320-D404 IonicContact CD2-OD2 2.66Å; H320-D404 IonicContact CE1-OD2 2.62Å; H320-D404 IonicContact NE2-OD2 3.25Å; H320-D404 PolarHBondContact NE2-OD2 3.22Å; G402-D404 PolarHBondContact O-N 2.73Å; D404-W406 VanDerWaalsContact C-N 3.34Å; D404-R407 PolarHBondContact O-N 3.37Å; D404-R407 IonicContact OD1-CZ 2.88Å; D404-R407 IonicContact OD1-NH1 2.72Å; D404-R407 PolarHBondContact OD1-NH1 2.76Å; D404-L408 PolarHBondContact O-N 2.82Å; D404-L408 VanDerWaalsContact O-N 3.1Å
405A98.1Very high97.4Very high3 Ų336.4 Ų36.43%0.02522%0.217CC..Hα-helixtrans-62.5-45.8176.700000110.7T324 L328 L401 G402 G403 Y409T324-A405 HydrophobicContact CG2-CB 4.41Å; L328-A405 HydrophobicContact CD2-CB 4.3Å; L401-A405 HydrophobicContact CB-CB 4.02Å; L401-A405 HydrophobicContact CD2-CB 4.48Å; L401-A405 WeakPolarHBondContact O-CB 3.31Å; G402-A405 WeakPolarHBondContact O-CB 3.32Å; G402-A405 PolarHBondContact O-N 2.74Å; G403-A405 VanDerWaalsContact C-N 3.35Å; G403-A405 PolarHBondContact O-N 3.48Å; A405-Y409 VanDerWaalsContact O-CB 3.28Å; A405-Y409 WeakPolarHBondContact O-CB 3.3Å; A405-Y409 PolarHBondContact O-N 2.93Å
406W98.5Very high97.5Very high3 Ų333.6 Ų33.61%0.01120%0.198CC..Hα-helixtrans-62.9-49.3176.6173.7-111.1000111.6H360 Y362 W363 T397 E398 L401 G402 G403 D404 L408 Y409 E410H360-W406 AromaticContact CD2-CH2 3.93Å; H360-W406 AromaticContact CE1-CH2 3.5Å; H360-W406 AromaticContact CE1-CZ2 3.71Å; H360-W406 AromaticContact NE2-CH2 3.19Å; H360-W406 WeakPolarHBondContact NE2-CH2 3.37Å; H360-W406 AromaticContact NE2-CZ2 3.73Å; Y362-W406 HydrophobicContact CD2-CZ2 4.17Å; Y362-W406 AromaticContact CE2-CZ2 3.95Å; Y362-W406 HydrophobicContact CE2-CZ2 3.95Å; W363-W406 AromaticContact CH2-CH2 3.83Å; W363-W406 HydrophobicContact CH2-CH2 3.83Å; W363-W406 HydrophobicContact CH2-CZ2 4.24Å; W363-W406 HydrophobicContact CZ2-CH2 4.46Å; T397-W406 VanDerWaalsContact C-CE3 3.45Å; T397-W406 VanDerWaalsContact C-CZ3 3.46Å; E398-W406 VanDerWaalsContact CA-CD2 3.48Å; E398-W406 HydrophobicContact CB-CD2 3.66Å; E398-W406 HydrophobicContact CB-CE3 4.21Å; E398-W406 HydrophobicContact CB-CG 3.76Å; E398-W406 HydrophobicContact CB-CZ2 4.36Å; E398-W406 HydrophobicContact CG-CB 4.21Å; E398-W406 HydrophobicContact CG-CD2 4.14Å; E398-W406 HydrophobicContact CG-CG 3.67Å; L401-W406 HydrophobicContact CB-CB 4.11Å; L401-W406 HydrophobicContact CD1-CE3 4.17Å; G402-W406 PolarHBondContact O-N 3.46Å; G403-W406 PolarHBondContact O-N 3.42Å; D404-W406 VanDerWaalsContact C-N 3.34Å; W406-L408 VanDerWaalsContact C-N 3.29Å; W406-L408 PolarHBondContact O-N 2.76Å; W406-Y409 AromaticContact CE3-CD1 3.98Å; W406-Y409 HydrophobicContact CE3-CD1 3.98Å; W406-Y409 HydrophobicContact CH2-CD1 4.46Å; W406-Y409 AromaticContact CZ3-CD1 3.67Å; W406-Y409 HydrophobicContact CZ3-CD1 3.67Å; W406-Y409 AromaticContact CZ3-CE1 3.95Å; W406-Y409 HydrophobicContact CZ3-CE1 3.95Å; W406-Y409 PolarHBondContact O-N 2.73Å; W406-Y409 VanDerWaalsContact O-N 3.16Å; W406-E410 HydrophobicContact CZ2-CB 4.23Å; W406-E410 PolarHBondContact NE1-OE2 3.17Å; W406-E410 WeakPolarHBondContact O-CB 3.2Å; W406-E410 PolarHBondContact O-N 3.29Å
407R98.6Very high97.6Very high94 Ų9433.5 Ų33.536%0.35520%0.197SC..Hα-helixtrans-57.2-41.2-177.9-67.2166.968.2-141.80.4112.5L314 M316 G403 D404 Y411L314-R407 PolarHBondContact O-NH1 3.32Å; L314-R407 PolarHBondContact O-NH2 3.25Å; M316-R407 HydrophobicContact CE-CB 3.91Å; G403-R407 WeakPolarHBondContact O-CG 3.42Å; G403-R407 PolarHBondContact O-N 3.48Å; D404-R407 PolarHBondContact O-N 3.37Å; D404-R407 IonicContact OD1-CZ 2.88Å; D404-R407 IonicContact OD1-NH1 2.72Å; D404-R407 PolarHBondContact OD1-NH1 2.76Å; R407-Y411 PolarHBondContact O-N 2.89Å
408L98.8Very high97.7Very high0 Ų031 Ų310%018%0.181CC..Hα-helixtrans-72.8-44.3176.6-174.760.5000111.9M306 A310 L314 M316 T324 A325 L328 D404 W406 E410 Y411 I412M306-L408 HydrophobicContact CG-CD1 4.12Å; A310-L408 HydrophobicContact CB-CD1 4.31Å; L314-L408 HydrophobicContact CD1-CB 4.49Å; L314-L408 HydrophobicContact CD1-CD1 4.15Å; M316-L408 HydrophobicContact CE-CB 4.44Å; M316-L408 HydrophobicContact SD-CB 4.48Å; T324-L408 HydrophobicContact CG2-CB 4.26Å; T324-L408 HydrophobicContact CG2-CD2 3.86Å; A325-L408 HydrophobicContact CB-CD2 3.99Å; L328-L408 HydrophobicContact CD1-CB 4.45Å; L328-L408 HydrophobicContact CD1-CD2 4.41Å; L328-L408 HydrophobicContact CD1-CG 4.44Å; D404-L408 PolarHBondContact O-N 2.82Å; D404-L408 VanDerWaalsContact O-N 3.1Å; W406-L408 VanDerWaalsContact C-N 3.29Å; W406-L408 PolarHBondContact O-N 2.76Å; L408-E410 PolarHBondContact O-N 2.95Å; L408-Y411 PolarHBondContact O-N 3.36Å; L408-I412 HydrophobicContact CD1-CD1 4.38Å; L408-I412 HydrophobicContact CG-CD1 3.98Å; L408-I412 WeakPolarHBondContact O-CG1 3.14Å; L408-I412 PolarHBondContact O-N 2.85Å
409Y98.8Very high97.7Very high0 Ų026.2 Ų26.20%016%0.159CC..Hα-helixtrans-60.5-42.1176.7173.9-90.5000112.4Y333 I334 Q357 P392 K394 A396 L401 A405 W406 Y411 I412 T413Y333-Y409 HydrophobicContact CD1-CE2 4.38Å; I334-Y409 HydrophobicContact CG2-CD2 4.17Å; Q357-Y409 PolarHBondContact NE2-OH 2.94Å; Q357-Y409 VanDerWaalsContact NE2-OH 3.16Å; Q357-Y409 PolarHBondContact OE1-OH 3.42Å; P392-Y409 HydrophobicContact CB-CE2 4.3Å; K394-Y409 PolarHBondContact O-OH 2.94Å; A396-Y409 HydrophobicContact CB-CD1 4Å; A396-Y409 HydrophobicContact CB-CD2 4.46Å; A396-Y409 HydrophobicContact CB-CE1 3.61Å; A396-Y409 HydrophobicContact CB-CE2 4.09Å; A396-Y409 HydrophobicContact CB-CG 4.43Å; A396-Y409 PolarHBondContact N-OH 2.9Å; L401-Y409 HydrophobicContact CD1-CD1 3.9Å; L401-Y409 HydrophobicContact CD1-CD2 4.12Å; L401-Y409 HydrophobicContact CD1-CG 3.58Å; A405-Y409 VanDerWaalsContact O-CB 3.28Å; A405-Y409 WeakPolarHBondContact O-CB 3.3Å; A405-Y409 PolarHBondContact O-N 2.93Å; W406-Y409 AromaticContact CE3-CD1 3.98Å; W406-Y409 HydrophobicContact CE3-CD1 3.98Å; W406-Y409 HydrophobicContact CH2-CD1 4.46Å; W406-Y409 AromaticContact CZ3-CD1 3.67Å; W406-Y409 HydrophobicContact CZ3-CD1 3.67Å; W406-Y409 AromaticContact CZ3-CE1 3.95Å; W406-Y409 HydrophobicContact CZ3-CE1 3.95Å; W406-Y409 PolarHBondContact O-N 2.73Å; W406-Y409 VanDerWaalsContact O-N 3.16Å; Y409-Y411 VanDerWaalsContact C-N 3.35Å; Y409-Y411 PolarHBondContact O-N 3.37Å; Y409-I412 PolarHBondContact O-N 3.3Å; Y409-T413 WeakPolarHBondContact CE1-OG1 3.34Å; Y409-T413 VanDerWaalsContact CZ-OG1 3.3Å; Y409-T413 WeakPolarHBondContact O-CB 3.26Å; Y409-T413 PolarHBondContact O-N 3.16Å; Y409-T413 PolarHBondContact O-OG1 3.36Å
410E98.7Very high97.8Very high40 Ų4021.5 Ų21.519%0.18712%0.12CC..Hα-helixtrans-58.7-46.7175.7167.3163.5-15700110.8W363 W406 L408 T413 R414W363-E410 HydrophobicContact CH2-CG 4.39Å; W363-E410 HydrophobicContact CZ3-CG 3.95Å; W406-E410 HydrophobicContact CZ2-CB 4.23Å; W406-E410 PolarHBondContact NE1-OE2 3.17Å; W406-E410 WeakPolarHBondContact O-CB 3.2Å; W406-E410 PolarHBondContact O-N 3.29Å; L408-E410 PolarHBondContact O-N 2.95Å; E410-T413 PolarHBondContact O-N 3.34Å; E410-R414 HydrophobicContact CG-CG 4.38Å; E410-R414 WeakPolarHBondContact O-CB 3.38Å; E410-R414 VanDerWaalsContact O-CG 3.32Å; E410-R414 WeakPolarHBondContact O-CG 3.31Å; E410-R414 PolarHBondContact O-N 2.89Å; E410-R414 IonicContact OE1-CZ 3.43Å; E410-R414 VanDerWaalsContact OE1-CZ 3.26Å; E410-R414 IonicContact OE1-NE 3.05Å; E410-R414 PolarHBondContact OE1-NE 2.98Å; E410-R414 IonicContact OE1-NH2 3.31Å; E410-R414 PolarHBondContact OE1-NH2 3.45Å
411Y98.8Very high98Very high10 Ų1016.9 Ų16.94%0.03910%0.099CC..Hα-helixtrans-61.5-49.6176.4169.6-108.1000111.9L301 V309 R407 L408 Y409 T413 R414 H415 M456 W458L301-Y411 HydrophobicContact CD1-CE1 4.03Å; L301-Y411 HydrophobicContact CD2-CE1 4.14Å; V309-Y411 HydrophobicContact CB-CE1 3.9Å; V309-Y411 HydrophobicContact CB-CE2 4.25Å; V309-Y411 HydrophobicContact CG1-CD1 4.24Å; V309-Y411 HydrophobicContact CG1-CD2 3.9Å; V309-Y411 HydrophobicContact CG1-CE1 3.88Å; V309-Y411 HydrophobicContact CG1-CE2 3.55Å; V309-Y411 HydrophobicContact CG1-CG 4.25Å; V309-Y411 HydrophobicContact CG2-CE1 4.46Å; V309-Y411 HydrophobicContact CG2-CE2 4.43Å; V309-Y411 WeakPolarHBondContact CG2-OH 3.33Å; R407-Y411 PolarHBondContact O-N 2.89Å; L408-Y411 PolarHBondContact O-N 3.36Å; Y409-Y411 VanDerWaalsContact C-N 3.35Å; Y409-Y411 PolarHBondContact O-N 3.37Å; Y411-T413 PolarHBondContact O-N 3.21Å; Y411-R414 PolarHBondContact O-N 3.1Å; Y411-H415 HydrophobicContact CE2-CB 4.22Å; Y411-H415 AromaticContact CZ-ND1 3.72Å; Y411-H415 VanDerWaalsContact O-CB 3.25Å; Y411-H415 WeakPolarHBondContact O-CB 3.27Å; Y411-H415 PolarHBondContact O-N 3.16Å; Y411-H415 PolarHBondContact OH-ND1 3.15Å; Y411-H415 VanDerWaalsContact OH-ND1 3.08Å; Y411-M456 HydrophobicContact CE2-CE 4.29Å; Y411-W458 HydrophobicContact CD2-CZ2 4.12Å; Y411-W458 HydrophobicContact CE2-CZ2 4.43Å
412I98.9Very high98.1Very high0 Ų019.9 Ų19.90%011%0.112CC..Hα-helixtrans-56.2-43.2178.3-68167.7000110.3L301 M306 I334 I390 L408 Y409 F416L301-I412 HydrophobicContact CD2-CB 4.42Å; L301-I412 HydrophobicContact CD2-CG1 3.86Å; L301-I412 HydrophobicContact CD2-CG2 4.46Å; M306-I412 HydrophobicContact SD-CD1 4.29Å; I334-I412 HydrophobicContact CD1-CD1 3.92Å; I334-I412 HydrophobicContact CG2-CD1 4.13Å; I334-I412 HydrophobicContact CG2-CG2 4.07Å; I390-I412 HydrophobicContact CG2-CD1 4.12Å; I390-I412 HydrophobicContact CG2-CG1 4.45Å; I390-I412 HydrophobicContact CG2-CG2 4.17Å; L408-I412 HydrophobicContact CD1-CD1 4.38Å; L408-I412 HydrophobicContact CG-CD1 3.98Å; L408-I412 WeakPolarHBondContact O-CG1 3.14Å; L408-I412 PolarHBondContact O-N 2.85Å; Y409-I412 PolarHBondContact O-N 3.3Å; I412-F416 WeakPolarHBondContact O-CB 3.34Å; I412-F416 PolarHBondContact O-N 3.38Å
413T98.8Very high98.4Very high0 Ų020.1 Ų20.10%011%0.106CC..Hα-helixtrans-68.2-47.6-179.4-56.20000112.1Q357 W363 P392 Y409 E410 Y411 H415 F416 I417Q357-T413 HydrophobicContact CB-CG2 4.46Å; Q357-T413 HydrophobicContact CG-CG2 3.87Å; W363-T413 HydrophobicContact CH2-CG2 4.16Å; W363-T413 HydrophobicContact CZ2-CG2 3.55Å; P392-T413 HydrophobicContact CG-CG2 4.41Å; Y409-T413 WeakPolarHBondContact CE1-OG1 3.34Å; Y409-T413 VanDerWaalsContact CZ-OG1 3.3Å; Y409-T413 WeakPolarHBondContact O-CB 3.26Å; Y409-T413 PolarHBondContact O-N 3.16Å; Y409-T413 PolarHBondContact O-OG1 3.36Å; E410-T413 PolarHBondContact O-N 3.34Å; Y411-T413 PolarHBondContact O-N 3.21Å; T413-H415 VanDerWaalsContact C-N 3.33Å; T413-H415 PolarHBondContact O-N 3.16Å; T413-F416 PolarHBondContact O-N 2.83Å; T413-I417 HydrophobicContact CG2-CD1 4.01Å; T413-I417 VanDerWaalsContact O-CG1 3.29Å; T413-I417 WeakPolarHBondContact O-CG1 3.34Å; T413-I417 PolarHBondContact O-N 3.32Å
414R98.8Very high98.5Very high31 Ų3117.8 Ų17.812%0.1178%0.081CC..Hα-helixtrans-62.3-40.3176.6-72.6178178.1-82-0.4111.9W363 E410 Y411 I417 A418 I455 W458W363-R414 HydrophobicContact CE3-CG 4Å; W363-R414 HydrophobicContact CZ3-CG 4.08Å; E410-R414 HydrophobicContact CG-CG 4.38Å; E410-R414 WeakPolarHBondContact O-CB 3.38Å; E410-R414 VanDerWaalsContact O-CG 3.32Å; E410-R414 WeakPolarHBondContact O-CG 3.31Å; E410-R414 PolarHBondContact O-N 2.89Å; E410-R414 IonicContact OE1-CZ 3.43Å; E410-R414 VanDerWaalsContact OE1-CZ 3.26Å; E410-R414 IonicContact OE1-NE 3.05Å; E410-R414 PolarHBondContact OE1-NE 2.98Å; E410-R414 IonicContact OE1-NH2 3.31Å; E410-R414 PolarHBondContact OE1-NH2 3.45Å; Y411-R414 PolarHBondContact O-N 3.1Å; R414-I417 PolarHBondContact O-N 2.96Å; R414-A418 WeakPolarHBondContact O-CB 3.33Å; R414-A418 PolarHBondContact O-N 3.29Å; R414-I455 HydrophobicContact CB-CG1 4.08Å; R414-I455 HydrophobicContact CG-CD1 4.02Å; R414-I455 HydrophobicContact CG-CG1 4.06Å; R414-I455 PolarHBondContact NH1-O 3.44Å; R414-W458 HydrophobicContact CB-CH2 4.39Å
415H98.8Very high98.5Very high4 Ų420.1 Ų20.12%0.0199%0.089CC..Hα-helixtrans-64.4-45.5176.4-168.5102.3000111.1P298 L299 Y411 T413 I417 A418 T419P298-H415 VanDerWaalsContact CB-CE1 3.48Å; P298-H415 WeakPolarHBondContact CB-CE1 3.2Å; L299-H415 PolarHBondContact O-NE2 3.07Å; Y411-H415 HydrophobicContact CE2-CB 4.22Å; Y411-H415 AromaticContact CZ-ND1 3.72Å; Y411-H415 VanDerWaalsContact O-CB 3.25Å; Y411-H415 WeakPolarHBondContact O-CB 3.27Å; Y411-H415 PolarHBondContact O-N 3.16Å; Y411-H415 PolarHBondContact OH-ND1 3.15Å; Y411-H415 VanDerWaalsContact OH-ND1 3.08Å; T413-H415 VanDerWaalsContact C-N 3.33Å; T413-H415 PolarHBondContact O-N 3.16Å; H415-I417 PolarHBondContact O-N 3.49Å; H415-A418 WeakPolarHBondContact O-CB 3.34Å; H415-A418 PolarHBondContact O-N 3.31Å; H415-T419 VanDerWaalsContact O-CG2 3.28Å; H415-T419 WeakPolarHBondContact O-CG2 3.43Å; H415-T419 PolarHBondContact O-N 3.21Å
416F98.8Very high98.4Very high2 Ų221.5 Ų21.51%0.0099%0.094CC..Hα-helixtrans-56.4-52.3174168.3-106000111.8Y344 L350 L354 T391 P392 I412 T413 A418 T419 V420Y344-F416 HydrophobicContact CE1-CD2 4.48Å; Y344-F416 WeakPolarHBondContact OH-CD2 3.41Å; L350-F416 HydrophobicContact CD2-CE2 3.9Å; L350-F416 HydrophobicContact CD2-CZ 4.45Å; L354-F416 HydrophobicContact CB-CE1 4.17Å; L354-F416 HydrophobicContact CB-CZ 4.5Å; L354-F416 HydrophobicContact CD1-CE1 4.38Å; T391-F416 HydrophobicContact CG2-CD2 3.93Å; T391-F416 HydrophobicContact CG2-CE2 4.25Å; P392-F416 VanDerWaalsContact CD-CB 3.48Å; P392-F416 HydrophobicContact CG-CB 3.96Å; P392-F416 HydrophobicContact CG-CD1 3.6Å; P392-F416 HydrophobicContact CG-CE1 4.31Å; P392-F416 HydrophobicContact CG-CG 3.84Å; I412-F416 WeakPolarHBondContact O-CB 3.34Å; I412-F416 PolarHBondContact O-N 3.38Å; T413-F416 PolarHBondContact O-N 2.83Å; F416-A418 PolarHBondContact O-N 3.43Å; F416-T419 PolarHBondContact O-N 3.37Å; F416-T419 PolarHBondContact O-OG1 3.16Å; F416-V420 HydrophobicContact CE2-CG1 4.46Å; F416-V420 PolarHBondContact O-N 3.36Å
417I98.8Very high98.2Very high0 Ų023.1 Ų23.10%010%0.102CC..Hα-helixtrans-57.2-40.7178.5-63.7162.7000110.6L354 W363 V367 T413 R414 H415 T419 V420 S421 I455L354-I417 HydrophobicContact CD1-CG1 4.02Å; W363-I417 HydrophobicContact CB-CD1 4.2Å; W363-I417 HydrophobicContact CD2-CD1 4.23Å; W363-I417 HydrophobicContact CG-CD1 3.81Å; V367-I417 HydrophobicContact CG2-CD1 3.72Å; V367-I417 HydrophobicContact CG2-CG1 4.13Å; V367-I417 HydrophobicContact CG2-CG2 4.34Å; T413-I417 HydrophobicContact CG2-CD1 4.01Å; T413-I417 VanDerWaalsContact O-CG1 3.29Å; T413-I417 WeakPolarHBondContact O-CG1 3.34Å; T413-I417 PolarHBondContact O-N 3.32Å; R414-I417 PolarHBondContact O-N 2.96Å; H415-I417 PolarHBondContact O-N 3.49Å; I417-T419 PolarHBondContact O-N 3.38Å; I417-V420 VanDerWaalsContact O-CG2 3.28Å; I417-V420 WeakPolarHBondContact O-CG2 3.35Å; I417-V420 PolarHBondContact O-N 3.39Å; I417-S421 WeakPolarHBondContact O-CB 3.45Å; I417-S421 PolarHBondContact O-N 3.49Å; I417-S421 VanDerWaalsContact O-N 3.11Å; I417-S421 PolarHBondContact O-OG 2.87Å; I417-I455 HydrophobicContact CB-CG1 4.07Å; I417-I455 HydrophobicContact CD1-CD1 4.25Å; I417-I455 HydrophobicContact CD1-CG1 4.33Å; I417-I455 HydrophobicContact CG2-CB 4.36Å; I417-I455 HydrophobicContact CG2-CG1 3.96Å; I417-I455 HydrophobicContact CG2-CG2 4.2Å
418A98.7Very high98Very high0 Ų019.8 Ų19.80%09%0.091CC..Hα-helixtrans-61.7-38.6176.100000113.2P298 R414 H415 F416 V420 S421 F452 I455 M456P298-A418 HydrophobicContact CG-CB 3.95Å; R414-A418 WeakPolarHBondContact O-CB 3.33Å; R414-A418 PolarHBondContact O-N 3.29Å; H415-A418 WeakPolarHBondContact O-CB 3.34Å; H415-A418 PolarHBondContact O-N 3.31Å; F416-A418 PolarHBondContact O-N 3.43Å; A418-V420 VanDerWaalsContact C-N 3.26Å; A418-V420 PolarHBondContact O-N 3.3Å; A418-S421 WeakPolarHBondContact O-CB 3.27Å; A418-S421 PolarHBondContact O-N 3.38Å; A418-S421 VanDerWaalsContact O-N 3.16Å; A418-F452 HydrophobicContact CB-CB 3.9Å; A418-F452 HydrophobicContact CB-CD2 3.89Å; A418-F452 HydrophobicContact CB-CG 4.34Å; A418-I455 HydrophobicContact CB-CG2 3.9Å; A418-M456 HydrophobicContact CB-CG 4.02Å; A418-M456 HydrophobicContact CB-SD 3.4Å; A418-M456 WeakPolarHBondContact CB-SD 3.07Å
419T98.6Very high97.8Very high0 Ų020 Ų200%09%0.093CC..Hα-helixtrans-64.8-30.1-179.6660000113.3R297 P298 L299 Y344 P378 H415 F416 I417R297-T419 WeakPolarHBondContact CD-O 3.37Å; R297-T419 PolarHBondContact NE-O 3.24Å; R297-T419 VanDerWaalsContact NE-O 3.14Å; P298-T419 HydrophobicContact CG-CG2 4.16Å; L299-T419 WeakPolarHBondContact O-CG2 3.43Å; Y344-T419 PolarHBondContact OH-OG1 3.22Å; P378-T419 WeakPolarHBondContact CA-O 3.32Å; H415-T419 VanDerWaalsContact O-CG2 3.28Å; H415-T419 WeakPolarHBondContact O-CG2 3.43Å; H415-T419 PolarHBondContact O-N 3.21Å; F416-T419 PolarHBondContact O-N 3.37Å; F416-T419 PolarHBondContact O-OG1 3.16Å; I417-T419 PolarHBondContact O-N 3.38Å
420V98.2Very high97.7Very high1 Ų121.5 Ų21.51%0.00610%0.101CC..THydrogen-bonded Turntrans-97.11.5177.4-62.60000113.3L350 L354 L370 N376 F416 I417 A418L350-V420 HydrophobicContact CD1-CG1 4.44Å; L350-V420 HydrophobicContact CD2-CG1 4.3Å; L354-V420 HydrophobicContact CD1-CG2 4.36Å; L354-V420 HydrophobicContact CD2-CG2 4.35Å; L370-V420 HydrophobicContact CD2-CG2 3.97Å; N376-V420 WeakPolarHBondContact CB-O 3.34Å; N376-V420 PolarHBondContact N-O 3.07Å; F416-V420 HydrophobicContact CE2-CG1 4.46Å; F416-V420 PolarHBondContact O-N 3.36Å; I417-V420 VanDerWaalsContact O-CG2 3.28Å; I417-V420 WeakPolarHBondContact O-CG2 3.35Å; I417-V420 PolarHBondContact O-N 3.39Å; A418-V420 VanDerWaalsContact C-N 3.26Å; A418-V420 PolarHBondContact O-N 3.3Å
421S98.1Very high97.6Very high7 Ų719.9 Ų19.95%0.0499%0.094CC..SBendtrans-86.6174.1174.5-650000112.1R297 N376 I417 A418R297-S421 WeakPolarHBondContact CD-O 3.32Å; N376-S421 WeakPolarHBondContact CB-O 3.45Å; N376-S421 PolarHBondContact ND2-O 3.39Å; I417-S421 WeakPolarHBondContact O-CB 3.45Å; I417-S421 PolarHBondContact O-N 3.49Å; I417-S421 VanDerWaalsContact O-N 3.11Å; I417-S421 PolarHBondContact O-OG 2.87Å; A418-S421 WeakPolarHBondContact O-CB 3.27Å; A418-S421 PolarHBondContact O-N 3.38Å; A418-S421 VanDerWaalsContact O-N 3.16Å
422H97.6Very high97.5Very high87 Ų8720.9 Ų20.940%0.40310%0.103SC..PPolyproline II helixtrans-80.1156.7171.7-66.4-68.5000112.3G451 F452H422-G451 CarbonylContact O-C 3.24Å; H422-G451 WeakPolarHBondContact O-CA 3.42Å; H422-F452 PolarHBondContact O-N 3.02Å
423D98.1Very high97.5Very high38 Ų3820.9 Ų20.920%0.20310%0.103CC..PPolyproline II helixtrans-65.4153.5174.1-66.2-24.4000111.2A294 R297 K425A294-D423 HydrophobicContact CB-CB 4.4Å; R297-D423 WeakPolarHBondContact CB-OD1 3.39Å; R297-D423 WeakPolarHBondContact CG-OD1 3.49Å; R297-D423 IonicContact CZ-OD1 2.88Å; R297-D423 PolarHBondContact N-OD1 2.96Å; R297-D423 IonicContact NH1-OD1 3.01Å; R297-D423 PolarHBondContact NH1-OD1 3.24Å; R297-D423 IonicContact NH1-OD2 3.57Å; R297-D423 PolarHBondContact NH1-OD2 2.98Å; D423-K425 PolarHBondContact O-N 3.36Å
424C98Very high97.4Very high0 Ų025.6 Ų25.60%012%0.121CC..EExtended strand (participates in β ladder)trans-77.1121.5172.8173.80000109.3A294 K295 S449 P450 F452 T453A294-C424 CarbonylContact C-O 3.52Å; A294-C424 WeakPolarHBondContact CA-O 3.27Å; K295-C424 HydrophobicContact CB-CB 4.15Å; K295-C424 PolarHBondContact N-O 3.11Å; K295-C424 PolarHBondContact O-N 2.97Å; C424-S449 WeakPolarHBondContact CA-O 3.33Å; C424-P450 WeakPolarHBondContact CA-O 3.41Å; C424-P450 WeakPolarHBondContact CB-O 3.2Å; C424-F452 HydrophobicContact CB-CD1 4.39Å; C424-F452 HydrophobicContact CB-CE1 4.19Å; C424-T453 HydrophobicContact CB-CG2 3.86Å
425K97.7Very high97.4Very high102 Ų10224.1 Ų24.144%0.44312%0.115SC..EExtended strand (participates in β ladder)trans-100.2131.6176.9-59.5-179.2170.6-167.30109.7D423 L448 S449D423-K425 PolarHBondContact O-N 3.36Å; K425-L448 HydrophobicContact CB-CB 4.35Å; K425-L448 WeakPolarHBondContact O-CB 3.49Å; K425-L448 PolarHBondContact O-N 3.29Å; K425-S449 WeakPolarHBondContact CB-OG 3.4Å; K425-S449 WeakPolarHBondContact CG-OG 3.46Å; K425-S449 PolarHBondContact N-O 3.38Å; K425-S449 PolarHBondContact O-N 3.35Å; K425-S449 VanDerWaalsContact O-N 3.1Å
426Y96.3Very high97.2Very high33 Ų3325.2 Ų25.213%0.12913%0.127CC..EExtended strand (participates in β ladder)trans-142.3152.2179.667.9-83.9000111.1K293 K295 Q428 K445 T446 V461K293-Y426 HydrophobicContact CB-CD1 4.49Å; K293-Y426 HydrophobicContact CB-CD2 4.46Å; K293-Y426 HydrophobicContact CB-CE1 3.86Å; K293-Y426 HydrophobicContact CB-CE2 3.84Å; K293-Y426 VanDerWaalsContact CB-CZ 3.48Å; K293-Y426 HydrophobicContact CD-CE2 4.37Å; K293-Y426 PolarHBondContact N-O 2.87Å; K293-Y426 WeakPolarHBondContact O-CD1 3.45Å; K293-Y426 PolarHBondContact O-N 3.04Å; K293-Y426 VanDerWaalsContact O-O 3.05Å; K295-Y426 HydrophobicContact CB-CD1 4.41Å; K295-Y426 HydrophobicContact CB-CE1 4.03Å; Y426-Q428 HydrophobicContact CE2-CB 4.19Å; Y426-K445 HydrophobicContact CD2-CB 4.29Å; Y426-K445 HydrophobicContact CD2-CD 4.35Å; Y426-K445 HydrophobicContact CD2-CG 4.1Å; Y426-K445 HydrophobicContact CE2-CD 4.2Å; Y426-K445 HydrophobicContact CE2-CG 4.2Å; Y426-T446 CarbonylContact C-O 3.5Å; Y426-T446 VanDerWaalsContact CA-O 3.27Å; Y426-T446 WeakPolarHBondContact CA-O 3.33Å; Y426-T446 WeakPolarHBondContact CB-O 3.21Å; Y426-V461 HydrophobicContact CD1-CG2 4.35Å; Y426-V461 HydrophobicContact CG-CG2 4.42Å
427L95.2Very high97Very high36 Ų3628.9 Ų28.919%0.18815%0.151CC..EExtended strand (participates in β ladder)trans-93.2115.9173.5-165.269.6000109R290 K445 T446 L448R290-L427 HydrophobicContact CB-CD1 4.28Å; R290-L427 HydrophobicContact CB-CD2 4.44Å; R290-L427 HydrophobicContact CB-CG 4.44Å; L427-K445 WeakPolarHBondContact O-CA 3.43Å; L427-T446 PolarHBondContact N-O 3.23Å; L427-T446 PolarHBondContact O-N 2.6Å; L427-L448 HydrophobicContact CB-CD1 4.48Å; L427-L448 HydrophobicContact CB-CD2 4.39Å; L427-L448 HydrophobicContact CB-CG 4.47Å
428Q94.9Very high97Very high24 Ų2429.1 Ų29.111%0.11215%0.152CC..EExtended strand (participates in β ladder)trans-87.2114.9168.4-178.468.364.300108.3R290 K291 K293 Y426 G444R290-Q428 WeakPolarHBondContact CA-O 3.4Å; K291-Q428 PolarHBondContact N-O 3.4Å; K291-Q428 PolarHBondContact O-N 2.81Å; K293-Q428 HydrophobicContact CD-CB 4.1Å; K293-Q428 HydrophobicContact CG-CB 4.47Å; Y426-Q428 HydrophobicContact CE2-CB 4.19Å; Q428-G444 PolarHBondContact NE2-O 3Å
429S94.6Very high96.9Very high6 Ų632.1 Ų32.14%0.04217%0.168CC..EExtended strand (participates in β ladder)trans-105.2136.6172.9-56.50000109.3S289 S443 G444S289-S429 CarbonylContact O-C 3.12Å; S289-S429 WeakPolarHBondContact O-CA 3.42Å; S429-S443 WeakPolarHBondContact O-CA 3.4Å; S429-G444 PolarHBondContact N-O 3.36Å; S429-G444 PolarHBondContact O-N 2.82Å
430T95.5Very high96.9Very high30 Ų3032.2 Ų32.218%0.18417%0.168CC..EExtended strand (participates in β ladder)trans-137130.4175.3-57.50000109S289 C442 S443S289-T430 PolarHBondContact N-O 2.83Å; S289-T430 PolarHBondContact O-N 2.83Å; T430-C442 WeakPolarHBondContact CA-O 3.42Å; T430-S443 PolarHBondContact OG1-OG 3.34Å
431I96.3Very high96.8Very high7 Ų733.6 Ų33.64%0.03618%0.177CC..EExtended strand (participates in β ladder)trans-115.5129.5175.2-54.9164.9000107.3V285 T288 F433 T441 C442 L467 P468V285-I431 HydrophobicContact CG1-CG2 3.98Å; V285-I431 HydrophobicContact CG2-CG2 4.33Å; T288-I431 HydrophobicContact CG2-CG1 4.29Å; T288-I431 HydrophobicContact CG2-CG2 4.19Å; I431-F433 HydrophobicContact CB-CE2 3.79Å; I431-F433 HydrophobicContact CB-CZ 4.24Å; I431-F433 HydrophobicContact CG2-CD2 3.99Å; I431-F433 HydrophobicContact CG2-CE1 4.16Å; I431-F433 HydrophobicContact CG2-CE2 3.34Å; I431-F433 HydrophobicContact CG2-CZ 3.45Å; I431-F433 VanDerWaalsContact CG2-CZ 3.45Å; I431-T441 CarbonylContact O-C 3.59Å; I431-T441 VanDerWaalsContact O-CA 3.3Å; I431-T441 WeakPolarHBondContact O-CA 3.43Å; I431-C442 PolarHBondContact N-O 2.97Å; I431-C442 PolarHBondContact O-N 3.06Å; I431-L467 HydrophobicContact CD1-CB 4.04Å; I431-L467 HydrophobicContact CD1-CD1 4.15Å; I431-L467 HydrophobicContact CG1-CD1 4.32Å; I431-P468 HydrophobicContact CD1-CG 4.43Å
432S97.4Very high96.7Very high31 Ų3133.6 Ų33.622%0.21718%0.177CC..EExtended strand (participates in β ladder)trans-104.2127.2176.8-50.70000109.4E286 A287 F440E286-S432 PolarHBondContact N-O 3.31Å; A287-S432 PolarHBondContact O-N 2.79Å; S432-F440 CarbonylContact C-O 3.53Å; S432-F440 WeakPolarHBondContact CA-O 3.37Å
433F97.8Very high96.5Very high0 Ų032.3 Ų32.30%018%0.177CC..EExtended strand (participates in β ladder)trans-114.2142.1179.7-65.6-89.8000110.1V247 L257 A283 Q284 V285 I431 L439 F440 F476V247-F433 HydrophobicContact CG2-CE1 4.45Å; V247-F433 HydrophobicContact CG2-CZ 4.4Å; L257-F433 HydrophobicContact CD1-CB 3.9Å; L257-F433 HydrophobicContact CD1-CD2 3.83Å; L257-F433 HydrophobicContact CD1-CG 3.87Å; L257-F433 HydrophobicContact CD2-CD2 3.62Å; L257-F433 HydrophobicContact CD2-CE2 3.64Å; L257-F433 HydrophobicContact CD2-CG 4.44Å; L257-F433 HydrophobicContact CD2-CZ 4.48Å; L257-F433 HydrophobicContact CG-CD2 4.38Å; A283-F433 HydrophobicContact CB-CB 4.37Å; A283-F433 HydrophobicContact CB-CD1 4Å; Q284-F433 CarbonylContact O-C 3.6Å; Q284-F433 VanDerWaalsContact O-CA 3.27Å; Q284-F433 WeakPolarHBondContact O-CA 3.43Å; V285-F433 HydrophobicContact CG2-CD1 4.05Å; V285-F433 HydrophobicContact CG2-CE1 3.66Å; V285-F433 HydrophobicContact CG2-CZ 4.39Å; I431-F433 HydrophobicContact CB-CE2 3.79Å; I431-F433 HydrophobicContact CB-CZ 4.24Å; I431-F433 HydrophobicContact CG2-CD2 3.99Å; I431-F433 HydrophobicContact CG2-CE1 4.16Å; I431-F433 HydrophobicContact CG2-CE2 3.34Å; I431-F433 HydrophobicContact CG2-CZ 3.45Å; I431-F433 VanDerWaalsContact CG2-CZ 3.45Å; F433-L439 WeakPolarHBondContact O-CA 3.45Å; F433-F440 PolarHBondContact N-O 2.89Å; F433-F440 PolarHBondContact O-N 3.3Å; F433-F476 HydrophobicContact CE1-CB 4.47Å; F433-F476 AromaticContact CE1-CD2 3.63Å; F433-F476 HydrophobicContact CE1-CD2 3.63Å; F433-F476 HydrophobicContact CE1-CE2 4.17Å; F433-F476 HydrophobicContact CE1-CG 4.19Å; F433-F476 HydrophobicContact CZ-CD2 4.44Å
434R97.9Very high96.2Very high99 Ų9930.8 Ų30.837%0.37417%0.171SC..EExtended strand (participates in β ladder)trans-108.9126.8168.7179.3174.564.4-162.511.5109.7A283 Q284 E286 G436 E438 L439A283-R434 WeakPolarHBondContact CA-O 3.36Å; Q284-R434 PolarHBondContact N-O 2.99Å; Q284-R434 PolarHBondContact O-N 3.38Å; E286-R434 HydrophobicContact CG-CB 3.82Å; E286-R434 VanDerWaalsContact OE1-CD 3.3Å; E286-R434 WeakPolarHBondContact OE1-CD 3.47Å; E286-R434 IonicContact OE1-CZ 2.99Å; E286-R434 IonicContact OE1-NE 3.4Å; E286-R434 IonicContact OE1-NH1 3.82Å; E286-R434 PolarHBondContact OE1-NH1 2.62Å; R434-G436 VanDerWaalsContact CG-O 3.24Å; R434-G436 WeakPolarHBondContact CG-O 3.44Å; R434-E438 WeakPolarHBondContact CA-O 3.37Å; R434-L439 HydrophobicContact CB-CD2 4.11Å; R434-L439 HydrophobicContact CG-CD2 4.47Å
435I97.6Very high96Very high0 Ų034.3 Ų34.30%019%0.186CC..EExtended strand (participates in β ladder)trans-125.1107.3174.8-58.5176.3000106.8A245 L257 E280 A283 E438 F440 V478A245-I435 HydrophobicContact CB-CD1 3.62Å; L257-I435 HydrophobicContact CD1-CD1 4.22Å; E280-I435 HydrophobicContact CB-CG2 3.57Å; E280-I435 HydrophobicContact CG-CG2 4.04Å; A283-I435 HydrophobicContact CB-CD1 3.94Å; A283-I435 HydrophobicContact CB-CG1 3.6Å; I435-E438 PolarHBondContact N-O 3.44Å; I435-E438 PolarHBondContact O-N 3.1Å; I435-E438 VanDerWaalsContact O-N 3.12Å; I435-F440 HydrophobicContact CB-CD2 4.3Å; I435-F440 HydrophobicContact CB-CE2 4.09Å; I435-F440 HydrophobicContact CD1-CD2 4.01Å; I435-F440 HydrophobicContact CD1-CE2 4.13Å; I435-F440 HydrophobicContact CG1-CD2 4.21Å; I435-F440 HydrophobicContact CG1-CE2 4.4Å; I435-V478 HydrophobicContact CD1-CG2 4.06Å; I435-V478 HydrophobicContact CG1-CG2 4.32Å; I435-V478 HydrophobicContact CG2-CG2 4.37Å
436G94.8Very high95.9Very high27 Ų2731.9 Ų31.928%0.27818%0.18SC..THydrogen-bonded Turntrans57.1-128.4-168.800000110.8R434R434-G436 VanDerWaalsContact CG-O 3.24Å; R434-G436 WeakPolarHBondContact CG-O 3.44Å
437P95.3Very high95.8Very high78 Ų7833 Ų3351%0.50619%0.19SC..THydrogen-bonded Turntrans-83.8-7.2177.333.4-33.4000114.3M276M276-P437 HydrophobicContact CB-CG 4.04Å; M276-P437 HydrophobicContact CE-CG 4.22Å; M276-P437 HydrophobicContact SD-CG 4.09Å
438E97.7Very high95.9Very high6 Ų635.9 Ų35.93%0.02821%0.205CC..EExtended strand (participates in β ladder)trans-101.1147-169.9-68.9-62.6120.200113W259 R261 F273 T277 R434 I435 F440W259-E438 PolarHBondContact NE1-OE2 3.31Å; R261-E438 IonicContact CZ-OE1 3.76Å; R261-E438 IonicContact CZ-OE2 3.57Å; R261-E438 IonicContact NE-OE1 3.01Å; R261-E438 PolarHBondContact NE-OE1 3.46Å; R261-E438 IonicContact NE-OE2 2.65Å; R261-E438 PolarHBondContact NE-OE2 3.38Å; R261-E438 IonicContact NH2-OE1 3.99Å; R261-E438 PolarHBondContact NH2-OE1 2.96Å; R261-E438 IonicContact NH2-OE2 3.23Å; F273-E438 VanDerWaalsContact CD1-CD 3.46Å; F273-E438 HydrophobicContact CD1-CG 3.99Å; F273-E438 WeakPolarHBondContact CD1-OE1 3.41Å; F273-E438 WeakPolarHBondContact CE1-OE1 3.44Å; T277-E438 HydrophobicContact CG2-CB 3.84Å; T277-E438 HydrophobicContact CG2-CG 3.83Å; R434-E438 WeakPolarHBondContact CA-O 3.37Å; I435-E438 PolarHBondContact N-O 3.44Å; I435-E438 PolarHBondContact O-N 3.1Å; I435-E438 VanDerWaalsContact O-N 3.12Å; E438-F440 HydrophobicContact CB-CE2 3.9Å
439L97.9Very high95.9Very high63 Ų6336.7 Ų36.733%0.3321%0.214SC..EExtended strand (participates in β ladder)trans-103.2138.4179.2-65.6174.9000111D260 E286 F433 R434D260-L439 HydrophobicContact CB-CB 3.91Å; D260-L439 VanDerWaalsContact CB-O 3.3Å; D260-L439 WeakPolarHBondContact CB-O 3.36Å; D260-L439 PolarHBondContact N-O 2.95Å; E286-L439 WeakPolarHBondContact OE2-CD2 3.5Å; F433-L439 WeakPolarHBondContact O-CA 3.45Å; R434-L439 HydrophobicContact CB-CD2 4.11Å; R434-L439 HydrophobicContact CG-CD2 4.47Å
440F98.1Very high96Very high1 Ų139.4 Ų39.40%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-132.6154.6174.9-63.3-99000109.9L243 A245 L257 D258 W259 S432 F433 I435 E438L243-F440 HydrophobicContact CB-CE1 4.45Å; L243-F440 HydrophobicContact CD2-CE1 4.34Å; L243-F440 HydrophobicContact CD2-CZ 3.66Å; L243-F440 HydrophobicContact CG-CE1 4.16Å; L243-F440 HydrophobicContact CG-CZ 3.89Å; A245-F440 HydrophobicContact CB-CD1 4.21Å; A245-F440 HydrophobicContact CB-CE1 4.02Å; A245-F440 HydrophobicContact CB-CZ 4.25Å; L257-F440 HydrophobicContact CB-CB 3.73Å; L257-F440 HydrophobicContact CB-CD1 4.18Å; L257-F440 HydrophobicContact CB-CG 4.27Å; L257-F440 HydrophobicContact CD1-CB 3.98Å; D258-F440 CarbonylContact O-C 3.3Å; D258-F440 VanDerWaalsContact O-CA 3.29Å; D258-F440 WeakPolarHBondContact O-CA 3.44Å; W259-F440 HydrophobicContact CB-CD1 3.96Å; W259-F440 HydrophobicContact CB-CE1 3.81Å; W259-F440 AromaticContact CD1-CE1 3.84Å; W259-F440 AromaticContact CD1-CZ 3.95Å; W259-F440 HydrophobicContact CG-CD1 4.46Å; W259-F440 HydrophobicContact CG-CE1 4.05Å; S432-F440 CarbonylContact C-O 3.53Å; S432-F440 WeakPolarHBondContact CA-O 3.37Å; F433-F440 PolarHBondContact N-O 2.89Å; F433-F440 PolarHBondContact O-N 3.3Å; I435-F440 HydrophobicContact CB-CD2 4.3Å; I435-F440 HydrophobicContact CB-CE2 4.09Å; I435-F440 HydrophobicContact CD1-CD2 4.01Å; I435-F440 HydrophobicContact CD1-CE2 4.13Å; I435-F440 HydrophobicContact CG1-CD2 4.21Å; I435-F440 HydrophobicContact CG1-CE2 4.4Å; E438-F440 HydrophobicContact CB-CE2 3.9Å
441T97.1Very high96.1Very high31 Ų3139 Ų3919%0.1923%0.233CC..EExtended strand (participates in β ladder)trans-130.6149.4176.463.10000110.8D258 I431D258-T441 PolarHBondContact N-O 2.91Å; D258-T441 PolarHBondContact O-N 3.46Å; I431-T441 CarbonylContact O-C 3.59Å; I431-T441 VanDerWaalsContact O-CA 3.3Å; I431-T441 WeakPolarHBondContact O-CA 3.43Å
442C94.8Very high96.2Very high6 Ų638.7 Ų38.74%0.04123%0.231CC..EExtended strand (participates in β ladder)trans-124.5140.5160.171.70000108.9L257 T430 I431 L467L257-C442 HydrophobicContact CD2-CB 3.79Å; T430-C442 WeakPolarHBondContact CA-O 3.42Å; I431-C442 PolarHBondContact N-O 2.97Å; I431-C442 PolarHBondContact O-N 3.06Å; C442-L467 HydrophobicContact CB-CD2 4.42Å
443S93.1Very high96.2Very high60 Ų6037.7 Ų37.742%0.4222%0.224SC..EExtended strand (participates in β ladder)trans-124.4140.2-177.5-730000109.6S429 T430S429-S443 WeakPolarHBondContact O-CA 3.4Å; T430-S443 PolarHBondContact OG1-OG 3.34Å
444G92.6Very high96.2Very high6 Ų641.4 Ų41.46%0.06224%0.241CC..EExtended strand (participates in β ladder)trans-140.6144.4178.600000111.1Q428 S429 E464Q428-G444 PolarHBondContact NE2-O 3Å; S429-G444 PolarHBondContact N-O 3.36Å; S429-G444 PolarHBondContact O-N 2.82Å; G444-E464 VanDerWaalsContact CA-OE2 3.32Å; G444-E464 WeakPolarHBondContact CA-OE2 3.39Å
445K93.9Very high96.1Very high74 Ų7436.8 Ų36.832%0.32222%0.224SC..EExtended strand (participates in β ladder)trans-114.3133.4178.1-64.4172-172.2160.90111.2Y426 L427 V461 E464Y426-K445 HydrophobicContact CD2-CB 4.29Å; Y426-K445 HydrophobicContact CD2-CD 4.35Å; Y426-K445 HydrophobicContact CD2-CG 4.1Å; Y426-K445 HydrophobicContact CE2-CD 4.2Å; Y426-K445 HydrophobicContact CE2-CG 4.2Å; L427-K445 WeakPolarHBondContact O-CA 3.43Å; K445-V461 HydrophobicContact CB-CG1 3.67Å; K445-V461 HydrophobicContact CD-CG1 3.9Å; K445-V461 HydrophobicContact CG-CG1 4.42Å; K445-E464 PolarHBondContact N-OE2 3.06Å
446T94.1Very high96.2Very high51 Ų5136.9 Ų36.931%0.31322%0.224SC..EExtended strand (participates in β ladder)trans-122.3121.6173.8-52.10000109.4Y426 L427 L448Y426-T446 CarbonylContact C-O 3.5Å; Y426-T446 VanDerWaalsContact CA-O 3.27Å; Y426-T446 WeakPolarHBondContact CA-O 3.33Å; Y426-T446 WeakPolarHBondContact CB-O 3.21Å; L427-T446 PolarHBondContact N-O 3.23Å; L427-T446 PolarHBondContact O-N 2.6Å; T446-L448 PolarHBondContact O-N 2.99Å
447V96.1Very high96.2Very high57 Ų5738.7 Ų38.735%0.34523%0.231SC..EExtended strand (participates in β ladder)trans-70.6128.6178.2-1800000109.6P450 V461V447-P450 HydrophobicContact CG1-CG 4.3Å; V447-V461 HydrophobicContact CG2-CB 3.67Å; V447-V461 HydrophobicContact CG2-CG1 4.13Å; V447-V461 HydrophobicContact CG2-CG2 4.3Å
448L95.8Very high96.2Very high97 Ų9741.5 Ų41.551%0.50823%0.232SC..EExtended strand (participates in β ladder)trans-95.7-46.4174-57.9177.2000110.3E292 K425 L427 T446E292-L448 HydrophobicContact CG-CD1 4.06Å; K425-L448 HydrophobicContact CB-CB 4.35Å; K425-L448 WeakPolarHBondContact O-CB 3.49Å; K425-L448 PolarHBondContact O-N 3.29Å; L427-L448 HydrophobicContact CB-CD1 4.48Å; L427-L448 HydrophobicContact CB-CD2 4.39Å; L427-L448 HydrophobicContact CB-CG 4.47Å; T446-L448 PolarHBondContact O-N 2.99Å
449S96Very high96.2Very high41 Ų4144 Ų4429%0.28724%0.243SC..EExtended strand (participates in β ladder)trans-140.5123.4174.465.60000109.8C424 K425 G451C424-S449 WeakPolarHBondContact CA-O 3.33Å; K425-S449 WeakPolarHBondContact CB-OG 3.4Å; K425-S449 WeakPolarHBondContact CG-OG 3.46Å; K425-S449 PolarHBondContact N-O 3.38Å; K425-S449 PolarHBondContact O-N 3.35Å; K425-S449 VanDerWaalsContact O-N 3.1Å; S449-G451 VanDerWaalsContact C-N 3.28Å; S449-G451 PolarHBondContact O-N 2.91Å
450P96.4Very high96Very high62 Ų6243.8 Ų43.840%0.40325%0.247SC..  trans-59.2-37.3179.3-25.134.3000113.1C424 V447 F452 T453 E454C424-P450 WeakPolarHBondContact CA-O 3.41Å; C424-P450 WeakPolarHBondContact CB-O 3.2Å; V447-P450 HydrophobicContact CG1-CG 4.3Å; P450-F452 PolarHBondContact O-N 3.42Å; P450-T453 PolarHBondContact O-N 3.4Å; P450-T453 PolarHBondContact O-OG1 2.93Å; P450-E454 HydrophobicContact CB-CB 4.37Å
451G96.9Very high95.8Very high22 Ų2244.4 Ų44.423%0.22725%0.251CS..G310 helixtrans54.4-135.9-175.700000111H422 S449 T453 E454H422-G451 CarbonylContact O-C 3.24Å; H422-G451 WeakPolarHBondContact O-CA 3.42Å; S449-G451 VanDerWaalsContact C-N 3.28Å; S449-G451 PolarHBondContact O-N 2.91Å; G451-T453 PolarHBondContact O-N 3.15Å; G451-E454 WeakPolarHBondContact O-CB 3.23Å; G451-E454 PolarHBondContact O-N 2.9Å; G451-E454 VanDerWaalsContact O-N 3.16Å
452F98.1Very high95.5Very high0 Ų046.8 Ų46.80%027%0.267CS..G310 helixtrans-59.9-18.3-179.387.5-83.4000114.7K295 Q296 R297 A418 H422 C424 P450 E454 I455 M456 Q459K295-F452 HydrophobicContact CG-CE1 4.42Å; K295-F452 HydrophobicContact CG-CZ 4.48Å; K295-F452 WeakPolarHBondContact O-CE1 3.43Å; Q296-F452 WeakPolarHBondContact O-CE1 3.37Å; R297-F452 HydrophobicContact CB-CB 4.07Å; R297-F452 HydrophobicContact CB-CD1 3.74Å; R297-F452 HydrophobicContact CB-CE1 4.31Å; R297-F452 HydrophobicContact CB-CG 3.83Å; A418-F452 HydrophobicContact CB-CB 3.9Å; A418-F452 HydrophobicContact CB-CD2 3.89Å; A418-F452 HydrophobicContact CB-CG 4.34Å; H422-F452 PolarHBondContact O-N 3.02Å; C424-F452 HydrophobicContact CB-CD1 4.39Å; C424-F452 HydrophobicContact CB-CE1 4.19Å; P450-F452 PolarHBondContact O-N 3.42Å; F452-E454 PolarHBondContact O-N 2.88Å; F452-I455 WeakPolarHBondContact O-CG2 3.17Å; F452-I455 PolarHBondContact O-N 3.13Å; F452-M456 HydrophobicContact CD2-CB 4.4Å; F452-M456 HydrophobicContact CD2-SD 4.07Å; F452-M456 HydrophobicContact CE2-SD 4.28Å; F452-M456 PolarHBondContact O-N 2.96Å; F452-M456 VanDerWaalsContact O-N 3.12Å; F452-Q459 HydrophobicContact CE2-CB 4.1Å; F452-Q459 HydrophobicContact CZ-CB 4.37Å
453T97.8Very high95.1Very high10 Ų1054.9 Ų54.96%0.06131%0.309CS..G310 helixtrans-74.1-10.1179.768.90000113C424 P450 G451 M456 P457 Q459C424-T453 HydrophobicContact CB-CG2 3.86Å; P450-T453 PolarHBondContact O-N 3.4Å; P450-T453 PolarHBondContact O-OG1 2.93Å; G451-T453 PolarHBondContact O-N 3.15Å; T453-M456 CarbonylContact O-C 3.56Å; T453-M456 VanDerWaalsContact O-C 3.3Å; T453-P457 WeakPolarHBondContact O-CA 3.09Å; T453-Q459 HydrophobicContact CG2-CB 4.41Å; T453-Q459 VanDerWaalsContact CG2-O 3.26Å; T453-Q459 WeakPolarHBondContact CG2-O 3.42Å
454E97.1Very high94.7Very high79 Ų7955.5 Ų55.537%0.36931%0.305SS..THydrogen-bonded Turntrans-63.5-45.1167.6-176.1-178.2158.300110.6T366 R369 P450 G451 F452T366-E454 PolarHBondContact OG1-OE1 2.89Å; R369-E454 IonicContact CZ-OE1 3.53Å; R369-E454 IonicContact NH1-OE1 3.69Å; R369-E454 PolarHBondContact NH1-OE1 2.96Å; R369-E454 IonicContact NH1-OE2 3.78Å; R369-E454 PolarHBondContact NH1-OE2 2.99Å; R369-E454 IonicContact NH2-OE1 2.63Å; R369-E454 PolarHBondContact NH2-OE1 2.9Å; P450-E454 HydrophobicContact CB-CB 4.37Å; G451-E454 WeakPolarHBondContact O-CB 3.23Å; G451-E454 PolarHBondContact O-N 2.9Å; G451-E454 VanDerWaalsContact O-N 3.16Å; F452-E454 PolarHBondContact O-N 2.88Å
455I97.8Very high94Very high2 Ų261.6 Ų61.61%0.0133%0.332CS..THydrogen-bonded Turntrans-84-22.7-179.6-17063.2000113.1W363 R414 I417 A418 F452 P457W363-I455 HydrophobicContact CB-CD1 3.38Å; W363-I455 HydrophobicContact CE3-CD1 4.44Å; W363-I455 HydrophobicContact CG-CD1 4.21Å; R414-I455 HydrophobicContact CB-CG1 4.08Å; R414-I455 HydrophobicContact CG-CD1 4.02Å; R414-I455 HydrophobicContact CG-CG1 4.06Å; R414-I455 PolarHBondContact NH1-O 3.44Å; I417-I455 HydrophobicContact CB-CG1 4.07Å; I417-I455 HydrophobicContact CD1-CD1 4.25Å; I417-I455 HydrophobicContact CD1-CG1 4.33Å; I417-I455 HydrophobicContact CG2-CB 4.36Å; I417-I455 HydrophobicContact CG2-CG1 3.96Å; I417-I455 HydrophobicContact CG2-CG2 4.2Å; A418-I455 HydrophobicContact CB-CG2 3.9Å; F452-I455 WeakPolarHBondContact O-CG2 3.17Å; F452-I455 PolarHBondContact O-N 3.13Å; I455-P457 WeakPolarHBondContact O-CD 3.44Å
456M97.9Very high93.4Very high1 Ų161.9 Ų61.91%0.00534%0.343CS..  trans-119.375.1173.6-64.7179.779.300111.9P298 Y411 A418 F452 T453 W458 Q459P298-M456 HydrophobicContact CG-SD 4.14Å; Y411-M456 HydrophobicContact CE2-CE 4.29Å; A418-M456 HydrophobicContact CB-CG 4.02Å; A418-M456 HydrophobicContact CB-SD 3.4Å; A418-M456 WeakPolarHBondContact CB-SD 3.07Å; F452-M456 HydrophobicContact CD2-CB 4.4Å; F452-M456 HydrophobicContact CD2-SD 4.07Å; F452-M456 HydrophobicContact CE2-SD 4.28Å; F452-M456 PolarHBondContact O-N 2.96Å; F452-M456 VanDerWaalsContact O-N 3.12Å; T453-M456 CarbonylContact O-C 3.56Å; T453-M456 VanDerWaalsContact O-C 3.3Å; M456-W458 VanDerWaalsContact C-N 3.26Å; M456-W458 HydrophobicContact CB-CZ2 4.06Å; M456-W458 HydrophobicContact CE-CZ2 3.76Å; M456-W458 HydrophobicContact CG-CH2 4.42Å; M456-W458 HydrophobicContact CG-CZ2 3.88Å; M456-W458 PolarHBondContact O-N 3.45Å; M456-Q459 HydrophobicContact CE-CG 4.44Å; M456-Q459 PolarHBondContact O-N 2.88Å
457P95.9Very high93.2Very high65 Ų6560.4 Ų60.442%0.42233%0.334SS..G310 helixtrans-61.6-28.9-173.2-24.934.8000114.7T453 I455 Q459 S460T453-P457 WeakPolarHBondContact O-CA 3.09Å; I455-P457 WeakPolarHBondContact O-CD 3.44Å; P457-Q459 PolarHBondContact O-N 2.69Å; P457-S460 WeakPolarHBondContact O-CB 3.31Å; P457-S460 PolarHBondContact O-N 3.26Å; P457-S460 PolarHBondContact O-OG 3.37Å
458W95.8Very high92.8Very high137 Ų13759.1 Ų59.152%0.51933%0.326SS..G310 helixtrans-66.7-12.7175.456.588.7000113.3Y411 R414 M456Y411-W458 HydrophobicContact CD2-CZ2 4.12Å; Y411-W458 HydrophobicContact CE2-CZ2 4.43Å; R414-W458 HydrophobicContact CB-CH2 4.39Å; M456-W458 VanDerWaalsContact C-N 3.26Å; M456-W458 HydrophobicContact CB-CZ2 4.06Å; M456-W458 HydrophobicContact CE-CZ2 3.76Å; M456-W458 HydrophobicContact CG-CH2 4.42Å; M456-W458 HydrophobicContact CG-CZ2 3.88Å; M456-W458 PolarHBondContact O-N 3.45Å
459Q96Very high92.5Very high58 Ų5860.6 Ų60.627%0.27134%0.339SS..G310 helixtrans-102.39.5170.1-60.4-158.311.700113.2K295 F452 T453 M456 P457K295-Q459 WeakPolarHBondContact CE-O 3.32Å; K295-Q459 PolarHBondContact NZ-O 3.12Å; F452-Q459 HydrophobicContact CE2-CB 4.1Å; F452-Q459 HydrophobicContact CZ-CB 4.37Å; T453-Q459 HydrophobicContact CG2-CB 4.41Å; T453-Q459 VanDerWaalsContact CG2-O 3.26Å; T453-Q459 WeakPolarHBondContact CG2-O 3.42Å; M456-Q459 HydrophobicContact CE-CG 4.44Å; M456-Q459 PolarHBondContact O-N 2.88Å; P457-Q459 PolarHBondContact O-N 2.69Å
460S94.9Very high92.2Very high59 Ų5959.4 Ų59.441%0.41333%0.331SS..SBendtrans-59.5152.3175.959.30000112.3P457P457-S460 WeakPolarHBondContact O-CB 3.31Å; P457-S460 PolarHBondContact O-N 3.26Å; P457-S460 PolarHBondContact O-OG 3.37Å
461V92.8Very high92Very high15 Ų1563.3 Ų63.39%0.09134%0.344CS..PPolyproline II helixtrans-71.8125.9166.6175.50000106.9Y426 K445 V447 L463Y426-V461 HydrophobicContact CD1-CG2 4.35Å; Y426-V461 HydrophobicContact CG-CG2 4.42Å; K445-V461 HydrophobicContact CB-CG1 3.67Å; K445-V461 HydrophobicContact CD-CG1 3.9Å; K445-V461 HydrophobicContact CG-CG1 4.42Å; V447-V461 HydrophobicContact CG2-CB 3.67Å; V447-V461 HydrophobicContact CG2-CG1 4.13Å; V447-V461 HydrophobicContact CG2-CG2 4.3Å; V461-L463 PolarHBondContact O-N 3.42Å
462P91.2Very high91.9Very high80 Ų8072 Ų7252%0.51937%0.37SS..PPolyproline II helixtrans-54140.1179.6-2634.5000111.3E464P462-E464 PolarHBondContact O-N 3.14Å; P462-E464 VanDerWaalsContact O-N 3.1Å
463L87.1Confident91.6Very high176 Ų17673.8 Ų73.892%0.92139%0.388SS*.  trans-73.8105.5175.9-167.4134.1000108.6V461V461-L463 PolarHBondContact O-N 3.42Å
464E84.9Confident91.4Very high74 Ų7476.3 Ų76.335%0.34640%0.401SS..  trans-105141.6174.8-67.3168.1-169.900108.6G444 K445 P462 S466G444-E464 VanDerWaalsContact CA-OE2 3.32Å; G444-E464 WeakPolarHBondContact CA-OE2 3.39Å; K445-E464 PolarHBondContact N-OE2 3.06Å; P462-E464 PolarHBondContact O-N 3.14Å; P462-E464 VanDerWaalsContact O-N 3.1Å; E464-S466 PolarHBondContact O-N 2.65Å
465E78.1Confident91.3Very high134 Ų13476 Ų7663%0.62641%0.405SS*.PPolyproline II helixtrans-63.7126.3171-81.3-178.1170.600110.2R253 L467R253-E465 IonicContact CZ-OE2 3.69Å; R253-E465 IonicContact NE-OE2 2.94Å; R253-E465 PolarHBondContact NE-OE2 3.35Å; R253-E465 IonicContact NH1-OE2 2.98Å; R253-E465 PolarHBondContact NH2-O 2.75Å; R253-E465 IonicContact NH2-OE2 3.38Å; R253-E465 PolarHBondContact NH2-OE2 3.09Å; E465-L467 PolarHBondContact O-N 2.79Å
466S81.5Confident91.3Very high79 Ų7976.2 Ų76.255%0.55241%0.406SS*.PPolyproline II helixtrans-47.1134.7179.1-64.80000112.4R253 E464R253-S466 PolarHBondContact NH1-O 2.88Å; E464-S466 PolarHBondContact O-N 2.65Å
467L89Confident91.2Very high21 Ų2179.6 Ų79.611%0.1143%0.428CS..PPolyproline II helixtrans-62.7146.3172.9-71.4177.9000110.6L255 I431 C442 E465L255-L467 HydrophobicContact CD2-CD2 4.29Å; I431-L467 HydrophobicContact CD1-CB 4.04Å; I431-L467 HydrophobicContact CD1-CD1 4.15Å; I431-L467 HydrophobicContact CG1-CD1 4.32Å; C442-L467 HydrophobicContact CB-CD2 4.42Å; E465-L467 PolarHBondContact O-N 2.79Å
468P88Confident91.2Very high30 Ų3077.5 Ų77.520%0.19541%0.414CS..PPolyproline II helixtrans-62149.3175.830.7-38.1000110.7T249 L255 I431T249-P468 HydrophobicContact CG2-CB 4.32Å; T249-P468 HydrophobicContact CG2-CG 3.9Å; L255-P468 HydrophobicContact CD1-CG 3.68Å; I431-P468 HydrophobicContact CD1-CG 4.43Å
469T89.1Confident91.2Very high127 Ų12773.2 Ų73.278%0.77941%0.412SS*.PPolyproline II helixtrans-78.5124.3170.2-56.30000108.4
470C90.3Very high91.2Very high16 Ų1674.1 Ų74.111%0.10842%0.416CS..  trans-144.8162.7176.1550000109.9V285 D474 F476V285-C470 HydrophobicContact CG2-CB 4.39Å; C470-D474 WeakPolarHBondContact CA-OD2 3.49Å; C470-D474 HydrophobicContact CB-CB 4.45Å; C470-D474 WeakPolarHBondContact CB-OD2 3.48Å; C470-F476 HydrophobicContact CB-CE2 3.88Å; C470-F476 HydrophobicContact CB-CZ 3.94Å
471Q91.6Very high91.3Very high145 Ų14572.6 Ų72.668%0.67841%0.405SS*.  trans-112.4160.1176.5-59-170.921.100110.7V285 G473 D474V285-Q471 WeakPolarHBondContact CB-O 3.41Å; V285-Q471 WeakPolarHBondContact CG1-O 3.29Å; Q471-G473 PolarHBondContact O-N 2.86Å; Q471-D474 PolarHBondContact N-OD2 3.18Å; Q471-D474 WeakPolarHBondContact O-CB 3.18Å; Q471-D474 VanDerWaalsContact O-CG 3.25Å; Q471-D474 PolarHBondContact O-N 3.03Å
472R94.3Very high91.4Very high205 Ų20575.1 Ų75.177%0.77441%0.414SS*.THydrogen-bonded Turntrans-61.5130172175.3175.3-178.2-174.21.9109E286E286-R472 VanDerWaalsContact O-CD 3.22Å; E286-R472 WeakPolarHBondContact O-CD 3.34Å; E286-R472 VanDerWaalsContact O-CG 3.29Å; E286-R472 WeakPolarHBondContact O-CG 3.49Å; E286-R472 PolarHBondContact O-NE 2.92Å
473G92.4Very high91.7Very high37 Ų3773.6 Ų73.638%0.38140%0.401SS..THydrogen-bonded Turntrans102.9-19.3-177.400000113.9V285 Q471V285-G473 PolarHBondContact O-N 3.03Å; Q471-G473 PolarHBondContact O-N 2.86Å
474D94.6Very high92.2Very high62 Ų6267.3 Ų67.333%0.33237%0.368SS..  trans-59.8149176.2-66.1-2.5000111.2V285 C470 Q471 F476V285-D474 HydrophobicContact CB-CB 4.41Å; V285-D474 HydrophobicContact CG2-CB 4.06Å; V285-D474 PolarHBondContact N-O 3Å; C470-D474 WeakPolarHBondContact CA-OD2 3.49Å; C470-D474 HydrophobicContact CB-CB 4.45Å; C470-D474 WeakPolarHBondContact CB-OD2 3.48Å; Q471-D474 PolarHBondContact N-OD2 3.18Å; Q471-D474 WeakPolarHBondContact O-CB 3.18Å; Q471-D474 VanDerWaalsContact O-CG 3.25Å; Q471-D474 PolarHBondContact O-N 3.03Å; D474-F476 HydrophobicContact CB-CE2 4.21Å
475T95.1Very high92.8Very high73 Ų7369.8 Ų69.845%0.44838%0.379SS..EExtended strand (participates in β ladder)trans-120.7131.6-179.151.30000110.6A283 Q284A283-T475 WeakPolarHBondContact O-CA 3.24Å; Q284-T475 HydrophobicContact CG-CG2 4.49Å
476F95.9Very high93.7Very high6 Ų667.7 Ų67.73%0.02637%0.368CS..EExtended strand (participates in β ladder)trans-114.4137.7176.5-72.8-92.8000110.7V247 N248 T249 A283 V285 F433 C470 D474 V478V247-F476 HydrophobicContact CB-CB 4.1Å; V247-F476 HydrophobicContact CG2-CB 4.46Å; N248-F476 WeakPolarHBondContact O-CD1 3.45Å; T249-F476 HydrophobicContact CG2-CD1 4.46Å; T249-F476 HydrophobicContact CG2-CE1 4.22Å; A283-F476 PolarHBondContact N-O 3.23Å; A283-F476 PolarHBondContact O-N 3.31Å; V285-F476 HydrophobicContact CG2-CD2 3.87Å; V285-F476 HydrophobicContact CG2-CE2 3.7Å; F433-F476 HydrophobicContact CE1-CB 4.47Å; F433-F476 AromaticContact CE1-CD2 3.63Å; F433-F476 HydrophobicContact CE1-CD2 3.63Å; F433-F476 HydrophobicContact CE1-CE2 4.17Å; F433-F476 HydrophobicContact CE1-CG 4.19Å; F433-F476 HydrophobicContact CZ-CD2 4.44Å; C470-F476 HydrophobicContact CB-CE2 3.88Å; C470-F476 HydrophobicContact CB-CZ 3.94Å; D474-F476 HydrophobicContact CB-CE2 4.21Å; F476-V478 PolarHBondContact O-N 3.06Å
477P96.5Very high94.4Very high72 Ų7269.2 Ų69.247%0.46837%0.366SS..EExtended strand (participates in β ladder)trans-61.4130.5173.8-23.232.6000112.1V247 N248 G479V247-P477 WeakPolarHBondContact CA-O 3.49Å; N248-P477 PolarHBondContact N-O 3.07Å; N248-P477 WeakPolarHBondContact O-CD 3.31Å; P477-G479 PolarHBondContact O-N 2.97Å
478V97.1Very high94.8Very high21 Ų2169.7 Ų69.713%0.12737%0.371CS..EExtended strand (participates in β ladder)trans-77.9113.5172.71780000108.6V247 K281 A283 I435 F476 V481V247-V478 HydrophobicContact CG1-CG2 4.46Å; K281-V478 PolarHBondContact O-N 3Å; A283-V478 HydrophobicContact CB-CG2 3.97Å; I435-V478 HydrophobicContact CD1-CG2 4.06Å; I435-V478 HydrophobicContact CG1-CG2 4.32Å; I435-V478 HydrophobicContact CG2-CG2 4.37Å; F476-V478 PolarHBondContact O-N 3.06Å; V478-V481 HydrophobicContact CG1-CG2 3.46Å; V478-V481 VanDerWaalsContact CG1-CG2 3.46Å
479G94.3Very high95.1Very high47 Ų4773.1 Ų73.149%0.48540%0.395SS..EExtended strand (participates in β ladder)trans-83.8-42.3179.900000113K246 P477K246-G479 PolarHBondContact O-N 3.05Å; P477-G479 PolarHBondContact O-N 2.97Å
480E95.9Very high95.3Very high77 Ų7769.9 Ų69.936%0.3638%0.376SS..EExtended strand (participates in β ladder)trans-151136.8-177.7-172.5-174.2-176.900110A245 K246A245-E480 CarbonylContact C-O 3.47Å; A245-E480 WeakPolarHBondContact CA-O 3.46Å; K246-E480 HydrophobicContact CB-CB 4.2Å; K246-E480 HydrophobicContact CD-CB 4.32Å; K246-E480 WeakPolarHBondContact CD-OE2 3.48Å; K246-E480 WeakPolarHBondContact CE-OE2 3.33Å; K246-E480 PolarHBondContact N-O 3.32Å; K246-E480 IonicContact NZ-OE2 3.04Å; K246-E480 PolarHBondContact NZ-OE2 3.1Å; K246-E480 PolarHBondContact O-N 3.33Å
481V96.8Very high95.5Very high28 Ų2871.7 Ų71.717%0.1739%0.388CS..EExtended strand (participates in β ladder)trans-125.9123.1165.1-176.10000107.8L243 A245 L274 V478L243-V481 HydrophobicContact CD1-CG1 3.97Å; L243-V481 HydrophobicContact CG-CG1 4.5Å; A245-V481 HydrophobicContact CB-CG2 4.21Å; L274-V481 HydrophobicContact CD1-CG1 4.16Å; V478-V481 HydrophobicContact CG1-CG2 3.46Å; V478-V481 VanDerWaalsContact CG1-CG2 3.46Å
482K96Very high95.8Very high68 Ų6868.5 Ų68.530%0.29638%0.375SS..EExtended strand (participates in β ladder)trans-134.7151.9-179.965177.5174.8-172.70111.4Q244 L484Q244-K482 HydrophobicContact CB-CG 4.24Å; Q244-K482 PolarHBondContact N-O 3.32Å; Q244-K482 PolarHBondContact O-N 3.41Å; Q244-K482 VanDerWaalsContact O-O 3.13Å; K482-L484 HydrophobicContact CD-CD2 3.88Å; K482-L484 HydrophobicContact CG-CD2 4.33Å
483M97.1Very high96Very high47 Ų4760.5 Ų60.523%0.23235%0.345CS..EExtended strand (participates in β ladder)trans-106.3119.9171.8-176.4173.66900108.4W241 L243 A270 L274W241-M483 HydrophobicContact CB-CG 3.98Å; W241-M483 HydrophobicContact CB-SD 4.17Å; W241-M483 HydrophobicContact CG-CG 4.31Å; W241-M483 HydrophobicContact CG-SD 4.22Å; L243-M483 HydrophobicContact CD1-CB 4.43Å; A270-M483 VanDerWaalsContact C-SD 3.53Å; A270-M483 HydrophobicContact CB-SD 3.5Å; A270-M483 VanDerWaalsContact CB-SD 3.5Å; L274-M483 HydrophobicContact CB-CB 4.46Å; L274-M483 HydrophobicContact CB-SD 4.32Å; L274-M483 HydrophobicContact CD1-CB 4.32Å; L274-M483 HydrophobicContact CD2-CB 3.89Å; L274-M483 HydrophobicContact CD2-CE 4.18Å; L274-M483 HydrophobicContact CD2-SD 4.47Å; L274-M483 HydrophobicContact CG-CB 4.45Å
484L97.2Very high96.3Very high44 Ų4458.8 Ų58.823%0.2333%0.327CS..EExtended strand (participates in β ladder)trans-92.7120.3175.4-61.8-173.2000109.5W241 V242 Q244 K482W241-L484 CarbonylContact C-O 3.2Å; W241-L484 VanDerWaalsContact CA-O 3.28Å; W241-L484 WeakPolarHBondContact CA-O 3.41Å; V242-L484 PolarHBondContact N-O 2.87Å; V242-L484 PolarHBondContact O-N 3.11Å; Q244-L484 VanDerWaalsContact CD-CD1 3.46Å; Q244-L484 HydrophobicContact CG-CD1 4.25Å; K482-L484 HydrophobicContact CD-CD2 3.88Å; K482-L484 HydrophobicContact CG-CD2 4.33Å
485E97.7Very high96.5Very high126 Ų12657.7 Ų57.759%0.58932%0.323SS*.EExtended strand (participates in β ladder)trans-81.3127.1164.9-172.7166.6136.900109.3T239 W241T239-E485 HydrophobicContact CG2-CG 3.58Å; W241-E485 HydrophobicContact CZ2-CG 4.45Å; W241-E485 PolarHBondContact NE1-OE2 2.86Å
486K97.4Very high96.6Very high90 Ų9054.6 Ų54.639%0.39130%0.304SS..EExtended strand (participates in β ladder)trans-134.9168179.8-68.2-171.5177.4-175.20109.5T239 Y240T239-K486 CarbonylContact C-O 3.51Å; T239-K486 WeakPolarHBondContact CA-O 3.27Å; Y240-K486 HydrophobicContact CD1-CB 4.25Å; Y240-K486 HydrophobicContact CD2-CB 4.11Å; Y240-K486 HydrophobicContact CE1-CB 3.74Å; Y240-K486 HydrophobicContact CE2-CB 3.62Å; Y240-K486 HydrophobicContact CE2-CD 3.97Å; Y240-K486 HydrophobicContact CE2-CG 4.32Å; Y240-K486 HydrophobicContact CG-CB 4.43Å; Y240-K486 PolarHBondContact N-O 3.41Å; Y240-K486 PolarHBondContact O-N 2.83Å
487Q96.9Very high96.7Very high111 Ų11155 Ų5552%0.51931%0.308SS..EExtended strand (participates in β ladder)trans-128.2142.6176.2-152.6176.924.800109.6P237 E238 Y240P237-Q487 VanDerWaalsContact CB-CD 3.45Å; P237-Q487 HydrophobicContact CB-CG 3.63Å; E238-Q487 WeakPolarHBondContact O-CA 3.37Å; Y240-Q487 VanDerWaalsContact CE1-C 3.43Å
488T96.3Very high96.8Very high32 Ų3254.8 Ų54.820%0.19630%0.301CS..PPolyproline II helixtrans-66.2136.2174.958.20000109.9F235 P237 E238 Y240 F265F235-T488 WeakPolarHBondContact CE1-O 3.36Å; F235-T488 WeakPolarHBondContact CZ-OG1 3.37Å; P237-T488 WeakPolarHBondContact CB-O 3.46Å; E238-T488 PolarHBondContact N-OG1 3.18Å; E238-T488 PolarHBondContact O-N 2.7Å; E238-T488 PolarHBondContact O-OG1 3.05Å; Y240-T488 HydrophobicContact CD1-CG2 3.85Å; Y240-T488 HydrophobicContact CE1-CG2 4.05Å; F265-T488 HydrophobicContact CE1-CG2 3.91Å; F265-T488 HydrophobicContact CZ-CG2 4.27Å
489S93.7Very high96.8Very high101 Ų10153.8 Ų53.871%0.70629%0.294SS*.PPolyproline II helixtrans-92.7145.3177-56.70000111.5F235F235-S489 VanDerWaalsContact CE1-C 3.48Å; F235-S489 WeakPolarHBondContact CZ-O 3.46Å
490P93.8Very high97Very high59 Ų5951.5 Ų51.538%0.38327%0.271SS..PPolyproline II helixtrans-62.6159.1168.228.5-34.6000110.3I232 F235I232-P490 HydrophobicContact CG2-CB 4.46Å; F235-P490 HydrophobicContact CB-CB 3.98Å; F235-P490 HydrophobicContact CD1-CB 3.58Å; F235-P490 HydrophobicContact CD1-CG 4.26Å; F235-P490 HydrophobicContact CE1-CB 4.16Å; F235-P490 VanDerWaalsContact CE1-N 3.31Å; F235-P490 HydrophobicContact CG-CB 3.79Å
491P95.3Very high97Very high54 Ų5450.4 Ų50.435%0.35127%0.27SS..PPolyproline II helixtrans-62.2162.2166.429.7-34000110.3I232I232-P491 HydrophobicContact CG1-CG 3.97Å; I232-P491 VanDerWaalsContact CG1-O 3.28Å; I232-P491 WeakPolarHBondContact CG1-O 3.31Å
492D97.2Very high97.1Very high78 Ų7851 Ų5142%0.41727%0.272SS..PPolyproline II helixtrans-90.4170169-152.7-21.3000110.5R228 R534R228-D492 WeakPolarHBondContact CD-O 3.39Å; R228-D492 WeakPolarHBondContact CG-O 3.24Å; R228-D492 PolarHBondContact NH1-O 3.04Å; D492-R534 VanDerWaalsContact CG-CD 3.45Å; D492-R534 VanDerWaalsContact CG-NH1 3.29Å; D492-R534 WeakPolarHBondContact OD1-CD 3.35Å; D492-R534 IonicContact OD1-CZ 3.59Å; D492-R534 IonicContact OD1-NH1 2.75Å; D492-R534 PolarHBondContact OD1-NH1 2.87Å; D492-R534 WeakPolarHBondContact OD2-CD 3.39Å; D492-R534 IonicContact OD2-CZ 3.81Å; D492-R534 IonicContact OD2-NE 2.73Å; D492-R534 IonicContact OD2-NH1 3.39Å; D492-R534 PolarHBondContact OD2-NH1 3.37Å
493Y98.4Very high97.1Very high37 Ų3747.8 Ų47.815%0.14526%0.258CS..PPolyproline II helixtrans-57.8152.7170.2-69.3-75.4000111.1H229 I232 T495 K536H229-Y493 HydrophobicContact CB-CE1 3.89Å; H229-Y493 AromaticContact ND1-CE1 3.59Å; H229-Y493 AromaticContact ND1-CZ 3.89Å; H229-Y493 PolarHBondContact ND1-OH 2.91Å; I232-Y493 HydrophobicContact CD1-CD1 3.91Å; I232-Y493 HydrophobicContact CD1-CD2 4.31Å; I232-Y493 HydrophobicContact CD1-CE1 4.02Å; I232-Y493 HydrophobicContact CD1-CE2 4.42Å; I232-Y493 HydrophobicContact CD1-CG 4.06Å; Y493-T495 PolarHBondContact O-N 3.12Å; Y493-K536 HydrophobicContact CD2-CG 4.46Å; Y493-K536 HydrophobicContact CE1-CG 4.22Å; Y493-K536 HydrophobicContact CE2-CD 4.38Å; Y493-K536 HydrophobicContact CE2-CG 4.14Å; Y493-K536 HydrophobicContact CG-CB 4.48Å
494L98.6Very high97Very high1 Ų149.4 Ų49.41%0.00527%0.265CS..PPolyproline II helixtrans-61.2129.5179.7-71.7174.9000110.3F224 R228 E498 L499 L502 R534 L535F224-L494 HydrophobicContact CB-CD1 3.9Å; F224-L494 WeakPolarHBondContact O-CD1 3.43Å; R228-L494 HydrophobicContact CB-CD1 4.27Å; R228-L494 HydrophobicContact CB-CG 3.84Å; R228-L494 HydrophobicContact CG-CG 4.04Å; L494-E498 HydrophobicContact CD2-CB 3.73Å; L494-L499 HydrophobicContact CD1-CD1 4.32Å; L494-L502 HydrophobicContact CD1-CD1 3.71Å; L494-L502 HydrophobicContact CD2-CD1 3.79Å; L494-L502 HydrophobicContact CG-CD1 4.46Å; L494-R534 CarbonylContact O-C 3.33Å; L494-R534 WeakPolarHBondContact O-CA 3.48Å; L494-L535 PolarHBondContact O-N 2.75Å
495T98.6Very high96.8Very high39 Ų3954.8 Ų54.824%0.23929%0.286CS..BIsolated β-bridgetrans-69.4156.6160.5590000110.4Y493 A497 E498 L499 R533 R534Y493-T495 PolarHBondContact O-N 3.12Å; T495-A497 PolarHBondContact O-N 3.46Å; T495-E498 PolarHBondContact N-OE2 3.43Å; T495-E498 PolarHBondContact O-N 3.35Å; T495-E498 VanDerWaalsContact O-N 3.16Å; T495-E498 WeakPolarHBondContact OG1-CG 3.35Å; T495-E498 PolarHBondContact OG1-N 3.34Å; T495-E498 VanDerWaalsContact OG1-N 3.16Å; T495-E498 PolarHBondContact OG1-OE2 2.98Å; T495-L499 PolarHBondContact O-N 2.96Å; T495-R533 WeakPolarHBondContact CA-O 3.33Å; T495-R534 HydrophobicContact CG2-CG 3.96Å
496E98.3Very high96.8Very high9 Ų952.2 Ų52.24%0.04227%0.274CS..Hα-helixtrans-53.7-37.3171-68.1169.2151.300111.6S311 P318 L499 I500 R533 L535S311-E496 WeakPolarHBondContact CB-OE2 3.36Å; S311-E496 WeakPolarHBondContact OG-CB 3.4Å; S311-E496 PolarHBondContact OG-OE2 2.92Å; P318-E496 WeakPolarHBondContact CD-OE1 3.34Å; P318-E496 HydrophobicContact CG-CB 4.27Å; E496-L499 PolarHBondContact O-N 3Å; E496-I500 WeakPolarHBondContact O-CD1 3.37Å; E496-I500 WeakPolarHBondContact O-CG1 3.28Å; E496-I500 PolarHBondContact O-N 3.18Å; E496-R533 HydrophobicContact CG-CB 4.49Å; E496-R533 PolarHBondContact N-O 2.69Å; E496-L535 HydrophobicContact CG-CD1 4.08Å; E496-L535 HydrophobicContact CG-CD2 3.98Å; E496-L535 HydrophobicContact CG-CG 4.08Å
497A97.6Very high96.6Very high14 Ų1448.9 Ų48.912%0.11627%0.266CS..Hα-helixtrans-65.4-41.4177.300000113.6R308 T495 T501R308-A497 HydrophobicContact CB-CB 4.07Å; R308-A497 HydrophobicContact CG-CB 4.1Å; T495-A497 PolarHBondContact O-N 3.46Å; A497-T501 PolarHBondContact O-N 2.93Å; A497-T501 VanDerWaalsContact O-N 3.1Å; A497-T501 PolarHBondContact O-OG1 2.81Å
498E98.2Very high96.6Very high67 Ų6743.7 Ų43.731%0.31324%0.242SC..Hα-helixtrans-65.5-39.8172.4-74.4170.1103.200111.3R228 L494 T495 T501 L502R228-E498 IonicContact CZ-OE1 2.74Å; R228-E498 IonicContact NH1-OE1 2.66Å; R228-E498 PolarHBondContact NH1-OE1 2.98Å; R228-E498 VanDerWaalsContact NH1-OE1 3.1Å; R228-E498 IonicContact NH1-OE2 3.44Å; R228-E498 IonicContact NH2-OE1 2.63Å; R228-E498 PolarHBondContact NH2-OE1 3.12Å; L494-E498 HydrophobicContact CD2-CB 3.73Å; T495-E498 PolarHBondContact N-OE2 3.43Å; T495-E498 PolarHBondContact O-N 3.35Å; T495-E498 VanDerWaalsContact O-N 3.16Å; T495-E498 WeakPolarHBondContact OG1-CG 3.35Å; T495-E498 PolarHBondContact OG1-N 3.34Å; T495-E498 VanDerWaalsContact OG1-N 3.16Å; T495-E498 PolarHBondContact OG1-OE2 2.98Å; E498-T501 WeakPolarHBondContact O-CB 3.48Å; E498-T501 PolarHBondContact O-N 3.08Å; E498-L502 WeakPolarHBondContact O-CG 3.27Å; E498-L502 PolarHBondContact O-N 3.37Å
499L98.6Very high96.4Very high0 Ų042.3 Ų42.30%023%0.233CC..Hα-helixtrans-64.4-43.9177.8-178.760.2000111.9T221 F224 L494 T495 E496 T501 L502 M503 I518 I521 L535T221-L499 HydrophobicContact CG2-CD1 4.19Å; T221-L499 HydrophobicContact CG2-CD2 3.84Å; T221-L499 HydrophobicContact CG2-CG 4.29Å; F224-L499 HydrophobicContact CB-CD1 3.75Å; F224-L499 HydrophobicContact CD2-CD1 3.86Å; F224-L499 HydrophobicContact CG-CD1 4.25Å; L494-L499 HydrophobicContact CD1-CD1 4.32Å; T495-L499 PolarHBondContact O-N 2.96Å; E496-L499 PolarHBondContact O-N 3Å; L499-T501 VanDerWaalsContact C-N 3.25Å; L499-T501 PolarHBondContact O-N 2.98Å; L499-L502 PolarHBondContact O-N 3.29Å; L499-L502 VanDerWaalsContact O-N 3.17Å; L499-M503 HydrophobicContact CD1-CG 4.39Å; L499-M503 HydrophobicContact CG-SD 4.33Å; L499-M503 WeakPolarHBondContact O-CG 3.47Å; L499-M503 PolarHBondContact O-N 3.26Å; L499-I518 HydrophobicContact CB-CD1 4.49Å; L499-I518 HydrophobicContact CD2-CD1 3.98Å; L499-I518 HydrophobicContact CD2-CG1 3.8Å; L499-I518 HydrophobicContact CD2-CG2 4.32Å; L499-I518 HydrophobicContact CG-CD1 4.07Å; L499-I518 HydrophobicContact CG-CG1 4.28Å; L499-I521 HydrophobicContact CD2-CD1 4.34Å; L499-L535 HydrophobicContact CB-CD1 4.21Å; L499-L535 HydrophobicContact CD2-CD1 3.32Å; L499-L535 HydrophobicContact CG-CD1 4.41Å
500I97.9Very high96.2Very high0 Ų039.7 Ų39.70%021%0.213CC..Hα-helixtrans-55.4-45.6172.4-68.7160.7000109.9V304 L307 R308 P318 E496 L502 M503 E504 I514 I518V304-I500 HydrophobicContact CB-CG2 4.4Å; V304-I500 HydrophobicContact CG1-CG2 3.56Å; L307-I500 HydrophobicContact CB-CD1 3.75Å; R308-I500 HydrophobicContact CG-CB 4.27Å; R308-I500 HydrophobicContact CG-CD1 4.39Å; R308-I500 HydrophobicContact CG-CG2 4.06Å; P318-I500 HydrophobicContact CG-CD1 4.09Å; E496-I500 WeakPolarHBondContact O-CD1 3.37Å; E496-I500 WeakPolarHBondContact O-CG1 3.28Å; E496-I500 PolarHBondContact O-N 3.18Å; I500-L502 VanDerWaalsContact C-N 3.34Å; I500-L502 PolarHBondContact O-N 3.43Å; I500-M503 PolarHBondContact O-N 3.39Å; I500-E504 WeakPolarHBondContact O-CB 3.49Å; I500-E504 PolarHBondContact O-N 3.04Å; I500-I514 HydrophobicContact CB-CG2 4.35Å; I500-I514 HydrophobicContact CG1-CG2 3.82Å; I500-I514 HydrophobicContact CG2-CD1 4.19Å; I500-I514 HydrophobicContact CG2-CG2 4.36Å; I500-I518 HydrophobicContact CG1-CD1 3.62Å
501T95.9Very high95.7Very high54 Ų5440.4 Ų40.433%0.33121%0.214SC..Hα-helixtrans-64.3-38179.5-560000112R308 A497 E498 L499 K505R308-T501 VanDerWaalsContact CD-OG1 3.27Å; R308-T501 WeakPolarHBondContact CD-OG1 3.46Å; R308-T501 PolarHBondContact NH1-OG1 3.15Å; R308-T501 VanDerWaalsContact NH1-OG1 3.15Å; A497-T501 PolarHBondContact O-N 2.93Å; A497-T501 VanDerWaalsContact O-N 3.1Å; A497-T501 PolarHBondContact O-OG1 2.81Å; E498-T501 WeakPolarHBondContact O-CB 3.48Å; E498-T501 PolarHBondContact O-N 3.08Å; L499-T501 VanDerWaalsContact C-N 3.25Å; L499-T501 PolarHBondContact O-N 2.98Å; T501-K505 WeakPolarHBondContact O-CB 3.26Å; T501-K505 PolarHBondContact O-N 3.14Å
502L97.8Very high95.2Very high40 Ų4038.8 Ų38.821%0.20921%0.205CC..Hα-helixtrans-68-42.3175.3-74.2172.3000111.8F224 L494 E498 L499 I500 K505 H506F224-L502 HydrophobicContact CB-CD1 4.09Å; F224-L502 HydrophobicContact CD1-CB 4.36Å; F224-L502 HydrophobicContact CD1-CD1 4.17Å; F224-L502 HydrophobicContact CD2-CB 4.16Å; F224-L502 HydrophobicContact CE1-CB 4.4Å; F224-L502 HydrophobicContact CE2-CB 4.18Å; F224-L502 HydrophobicContact CG-CB 4.24Å; F224-L502 HydrophobicContact CG-CD1 4.15Å; F224-L502 HydrophobicContact CZ-CB 4.3Å; L494-L502 HydrophobicContact CD1-CD1 3.71Å; L494-L502 HydrophobicContact CD2-CD1 3.79Å; L494-L502 HydrophobicContact CG-CD1 4.46Å; E498-L502 WeakPolarHBondContact O-CG 3.27Å; E498-L502 PolarHBondContact O-N 3.37Å; L499-L502 PolarHBondContact O-N 3.29Å; L499-L502 VanDerWaalsContact O-N 3.17Å; I500-L502 VanDerWaalsContact C-N 3.34Å; I500-L502 PolarHBondContact O-N 3.43Å; L502-K505 PolarHBondContact O-N 3.41Å; L502-H506 WeakPolarHBondContact O-CB 3.43Å; L502-H506 PolarHBondContact O-CD2 3.37Å; L502-H506 VanDerWaalsContact O-CD2 3.22Å; L502-H506 PolarHBondContact O-N 3.06Å
503M97.8Very high95Very high0 Ų036.1 Ų36.10%019%0.192CC..Hα-helixtrans-62.1-47.6176.7-71.4-177.965.600111.7T221 F224 L499 I500 H506 G507 I508 I514 H517 I518T221-M503 HydrophobicContact CG2-CE 4.37Å; T221-M503 HydrophobicContact CG2-SD 3.58Å; T221-M503 VanDerWaalsContact CG2-SD 3.58Å; T221-M503 WeakPolarHBondContact OG1-CE 3.29Å; F224-M503 HydrophobicContact CD2-CG 4.47Å; F224-M503 HydrophobicContact CE2-CG 4.27Å; L499-M503 HydrophobicContact CD1-CG 4.39Å; L499-M503 HydrophobicContact CG-SD 4.33Å; L499-M503 WeakPolarHBondContact O-CG 3.47Å; L499-M503 PolarHBondContact O-N 3.26Å; I500-M503 PolarHBondContact O-N 3.39Å; M503-H506 CarbonylContact O-C 3.55Å; M503-H506 PolarHBondContact O-N 3.03Å; M503-G507 PolarHBondContact O-N 3.43Å; M503-I508 CarbonylContact C-O 3.57Å; M503-I508 HydrophobicContact CB-CG1 4.08Å; M503-I508 HydrophobicContact CE-CG1 4.38Å; M503-I508 HydrophobicContact CG-CD1 4.24Å; M503-I508 HydrophobicContact CG-CG1 4.1Å; M503-I508 PolarHBondContact O-N 3.3Å; M503-I514 HydrophobicContact CB-CD1 4.15Å; M503-I514 HydrophobicContact CB-CG1 4.45Å; M503-I514 HydrophobicContact CE-CB 4.27Å; M503-I514 HydrophobicContact CE-CG1 4.2Å; M503-I514 HydrophobicContact CE-CG2 4.1Å; M503-I514 HydrophobicContact SD-CG2 3.88Å; M503-H517 HydrophobicContact CE-CB 4.06Å; M503-I518 HydrophobicContact SD-CD1 4.13Å; M503-I518 HydrophobicContact SD-CG1 3.86Å
504E93.5Very high94.8Very high81 Ų8134.9 Ų34.938%0.37919%0.188SC..Hα-helixtrans-59.2-49.8174.4-178.3-177.7-139.500111.2V304 R308 I500 H506 G507V304-E504 VanDerWaalsContact CG1-OE2 3.23Å; V304-E504 WeakPolarHBondContact CG1-OE2 3.43Å; V304-E504 HydrophobicContact CG2-CG 4.44Å; R308-E504 IonicContact NH1-OE2 3.18Å; R308-E504 PolarHBondContact NH1-OE2 3.21Å; I500-E504 WeakPolarHBondContact O-CB 3.49Å; I500-E504 PolarHBondContact O-N 3.04Å; E504-H506 VanDerWaalsContact C-N 3.26Å; E504-H506 PolarHBondContact O-N 2.93Å; E504-G507 PolarHBondContact O-N 3.24Å
505K94.7Very high94.8Very high157 Ų15734.9 Ų34.968%0.68319%0.188SC*.Hα-helixtrans-57.4-38.8179.2177.9-175.6175.7-1720112.7T501 L502T501-K505 WeakPolarHBondContact O-CB 3.26Å; T501-K505 PolarHBondContact O-N 3.14Å; L502-K505 PolarHBondContact O-N 3.41Å
506H96.3Very high94.6Very high72 Ų7236 Ų3633%0.33320%0.195SC..Hα-helixtrans-91.41.6-179.2-74.6-83.6000113.2F224 L502 M503 E504 P558 S562F224-H506 AromaticContact CE1-CD2 3.77Å; F224-H506 HydrophobicContact CZ-CB 3.98Å; F224-H506 AromaticContact CZ-CD2 3.59Å; F224-H506 AromaticContact CZ-CG 3.81Å; L502-H506 WeakPolarHBondContact O-CB 3.43Å; L502-H506 PolarHBondContact O-CD2 3.37Å; L502-H506 VanDerWaalsContact O-CD2 3.22Å; L502-H506 PolarHBondContact O-N 3.06Å; M503-H506 CarbonylContact O-C 3.55Å; M503-H506 PolarHBondContact O-N 3.03Å; E504-H506 VanDerWaalsContact C-N 3.26Å; E504-H506 PolarHBondContact O-N 2.93Å; H506-P558 HydrophobicContact CB-CB 3.99Å; H506-P558 HydrophobicContact CB-CG 3.87Å; H506-S562 VanDerWaalsContact O-CB 3.26Å; H506-S562 WeakPolarHBondContact O-CB 3.5Å; H506-S562 PolarHBondContact O-OG 3Å
507G94.6Very high94.6Very high21 Ų2136.4 Ų36.422%0.21620%0.197CC..THydrogen-bonded Turntrans5948.5177.400000112.5M503 E504 S562M503-G507 PolarHBondContact O-N 3.43Å; E504-G507 PolarHBondContact O-N 3.24Å; G507-S562 WeakPolarHBondContact O-CA 3.25Å; G507-S562 WeakPolarHBondContact O-CB 3.49Å; G507-S562 PolarHBondContact O-OG 3.32Å
508I95.9Very high94.6Very high2 Ų235.8 Ų35.81%0.0119%0.192CC..  trans-124.2147.9169.465.9165.6000110.1P220 F224 M503 P558 R561 E565P220-I508 HydrophobicContact CB-CD1 3.97Å; F224-I508 HydrophobicContact CE2-CD1 3.95Å; M503-I508 CarbonylContact C-O 3.57Å; M503-I508 HydrophobicContact CB-CG1 4.08Å; M503-I508 HydrophobicContact CE-CG1 4.38Å; M503-I508 HydrophobicContact CG-CD1 4.24Å; M503-I508 HydrophobicContact CG-CG1 4.1Å; M503-I508 PolarHBondContact O-N 3.3Å; I508-P558 HydrophobicContact CD1-CB 4.1Å; I508-P558 HydrophobicContact CG2-CB 3.91Å; I508-R561 HydrophobicContact CB-CG 4.14Å; I508-R561 HydrophobicContact CG2-CB 3.88Å; I508-R561 HydrophobicContact CG2-CG 3.77Å; I508-E565 WeakPolarHBondContact CA-OE2 3.23Å
509G92.6Very high94.6Very high2 Ų234.7 Ų34.72%0.02119%0.188CC..SBendtrans72.531.6-173.300000113.3S513 I514 E565G509-S513 WeakPolarHBondContact CA-OG 3.3Å; G509-S513 PolarHBondContact O-N 2.62Å; G509-S513 PolarHBondContact O-OG 2.86Å; G509-S513 VanDerWaalsContact O-OG 3.12Å; G509-I514 WeakPolarHBondContact O-CG1 3.5Å; G509-I514 PolarHBondContact O-N 3.42Å; G509-I514 VanDerWaalsContact O-N 3.14Å; G509-E565 VanDerWaalsContact N-CD 3.3Å; G509-E565 PolarHBondContact N-OE1 3.12Å; G509-E565 PolarHBondContact N-OE2 3.19Å
510T88.2Confident94.4Very high46 Ų4637 Ų3728%0.28220%0.2SC..THydrogen-bonded Turntrans-60.9172.9175.763.50000112.1A512 S513 E565T510-A512 VanDerWaalsContact C-N 3.31Å; T510-A512 PolarHBondContact O-N 3.09Å; T510-S513 WeakPolarHBondContact O-CB 3.46Å; T510-S513 PolarHBondContact O-N 2.79Å; T510-S513 PolarHBondContact O-OG 3.42Å; T510-E565 WeakPolarHBondContact CG2-OE2 3.42Å; T510-E565 PolarHBondContact N-OE2 3.29Å; T510-E565 PolarHBondContact OG1-OE2 3.16Å
511D83.9Confident94.4Very high75 Ų7537 Ų3740%0.40120%0.2SC..THydrogen-bonded Turntrans58.243.4178.7-56.2-49000112.3K120 S513K120-D511 WeakPolarHBondContact CD-OD2 3.35Å; K120-D511 IonicContact NZ-OD1 3.39Å; K120-D511 PolarHBondContact NZ-OD1 3.42Å; K120-D511 IonicContact NZ-OD2 3.36Å; K120-D511 PolarHBondContact NZ-OD2 2.71Å; D511-S513 PolarHBondContact O-N 2.81Å; D511-S513 VanDerWaalsContact O-N 3.09Å
512A84.7Confident94.5Very high20 Ų2035.8 Ų35.817%0.16519%0.194CC..THydrogen-bonded Turntrans54.926.2-179.600000115.4T303 M322 R338 T510 P515T303-A512 HydrophobicContact CG2-CB 4.21Å; M322-A512 HydrophobicContact CE-CB 4.29Å; R338-A512 HydrophobicContact CB-CB 3.71Å; R338-A512 HydrophobicContact CG-CB 3.72Å; T510-A512 VanDerWaalsContact C-N 3.31Å; T510-A512 PolarHBondContact O-N 3.09Å; A512-P515 VanDerWaalsContact O-CD 3.31Å; A512-P515 WeakPolarHBondContact O-CD 3.19Å; A512-P515 WeakPolarHBondContact O-CG 3.17Å
513S92.6Very high94.4Very high21 Ų2140.6 Ų40.615%0.14722%0.215CC..THydrogen-bonded Turntrans-87.8-11.8178.764.50000114.7G509 T510 D511 P515 V516 H517G509-S513 WeakPolarHBondContact CA-OG 3.3Å; G509-S513 PolarHBondContact O-N 2.62Å; G509-S513 PolarHBondContact O-OG 2.86Å; G509-S513 VanDerWaalsContact O-OG 3.12Å; T510-S513 WeakPolarHBondContact O-CB 3.46Å; T510-S513 PolarHBondContact O-N 2.79Å; T510-S513 PolarHBondContact O-OG 3.42Å; D511-S513 PolarHBondContact O-N 2.81Å; D511-S513 VanDerWaalsContact O-N 3.09Å; S513-P515 VanDerWaalsContact C-CD 3.48Å; S513-V516 WeakPolarHBondContact O-CB 3.32Å; S513-V516 PolarHBondContact O-N 2.94Å; S513-H517 PolarHBondContact O-CD2 3.26Å; S513-H517 PolarHBondContact O-N 2.79Å
514I95.6Very high94.1Very high11 Ų1145.8 Ų45.86%0.05624%0.235CC..Hα-helixtrans-40-55.2171.3-57.5-170.7000114.1V304 I500 M503 G509 V516 H517 I518V304-I514 HydrophobicContact CG2-CD1 4.35Å; I500-I514 HydrophobicContact CB-CG2 4.35Å; I500-I514 HydrophobicContact CG1-CG2 3.82Å; I500-I514 HydrophobicContact CG2-CD1 4.19Å; I500-I514 HydrophobicContact CG2-CG2 4.36Å; M503-I514 HydrophobicContact CB-CD1 4.15Å; M503-I514 HydrophobicContact CB-CG1 4.45Å; M503-I514 HydrophobicContact CE-CB 4.27Å; M503-I514 HydrophobicContact CE-CG1 4.2Å; M503-I514 HydrophobicContact CE-CG2 4.1Å; M503-I514 HydrophobicContact SD-CG2 3.88Å; G509-I514 WeakPolarHBondContact O-CG1 3.5Å; G509-I514 PolarHBondContact O-N 3.42Å; G509-I514 VanDerWaalsContact O-N 3.14Å; I514-V516 PolarHBondContact O-N 2.79Å; I514-H517 PolarHBondContact O-N 2.73Å; I514-I518 HydrophobicContact CG2-CD1 3.63Å; I514-I518 HydrophobicContact CG2-CG1 4.21Å; I514-I518 WeakPolarHBondContact O-CG1 3.34Å; I514-I518 PolarHBondContact O-N 3.19Å
515P96.9Very high94.2Very high2 Ų246 Ų461%0.01324%0.238CC..Hα-helixtrans-59.7-33.9-17622.2-34.4000113.2L307 P318 M322 A512 S513 N519L307-P515 HydrophobicContact CD1-CB 4.36Å; L307-P515 HydrophobicContact CD1-CG 4.16Å; P318-P515 HydrophobicContact CB-CB 3.74Å; M322-P515 HydrophobicContact CB-CG 4.38Å; M322-P515 HydrophobicContact CE-CG 4.46Å; A512-P515 VanDerWaalsContact O-CD 3.31Å; A512-P515 WeakPolarHBondContact O-CD 3.19Å; A512-P515 WeakPolarHBondContact O-CG 3.17Å; S513-P515 VanDerWaalsContact C-CD 3.48Å; P515-N519 WeakPolarHBondContact O-CB 3.36Å; P515-N519 PolarHBondContact O-N 2.94Å
516V96Very high94.4Very high63 Ų6338.7 Ų38.738%0.38221%0.206SC..Hα-helixtrans-66-47.8178.2179.30000110.1S513 I514 N519 N520S513-V516 WeakPolarHBondContact O-CB 3.32Å; S513-V516 PolarHBondContact O-N 2.94Å; I514-V516 PolarHBondContact O-N 2.79Å; V516-N519 PolarHBondContact O-N 3.5Å; V516-N520 WeakPolarHBondContact O-CB 3.25Å; V516-N520 PolarHBondContact O-N 3.47Å; V516-N520 PolarHBondContact O-OD1 3.47Å
517H97.1Very high94.5Very high17 Ų1735.3 Ų35.38%0.07919%0.191CC..Hα-helixtrans-67.9-39.3-178.1-62.5-47.8000113C217 M503 S513 I514 N520 I521C217-H517 PolarHBondContact SG-CD2 2.65Å; M503-H517 HydrophobicContact CE-CB 4.06Å; S513-H517 PolarHBondContact O-CD2 3.26Å; S513-H517 PolarHBondContact O-N 2.79Å; I514-H517 PolarHBondContact O-N 2.73Å; H517-N520 PolarHBondContact O-N 3.45Å; H517-I521 PolarHBondContact O-N 2.92Å
518I97.9Very high94.6Very high1 Ų136.6 Ų36.61%0.00520%0.195CC..Hα-helixtrans-64.6-45.7174.1-63.5179.4000110.2T221 P318 L499 I500 M503 I514 N520 I521 C522 L535T221-I518 HydrophobicContact CG2-CG1 4.17Å; P318-I518 HydrophobicContact CG-CD1 4.31Å; P318-I518 HydrophobicContact CG-CG2 4.28Å; L499-I518 HydrophobicContact CB-CD1 4.49Å; L499-I518 HydrophobicContact CD2-CD1 3.98Å; L499-I518 HydrophobicContact CD2-CG1 3.8Å; L499-I518 HydrophobicContact CD2-CG2 4.32Å; L499-I518 HydrophobicContact CG-CD1 4.07Å; L499-I518 HydrophobicContact CG-CG1 4.28Å; I500-I518 HydrophobicContact CG1-CD1 3.62Å; M503-I518 HydrophobicContact SD-CD1 4.13Å; M503-I518 HydrophobicContact SD-CG1 3.86Å; I514-I518 HydrophobicContact CG2-CD1 3.63Å; I514-I518 HydrophobicContact CG2-CG1 4.21Å; I514-I518 WeakPolarHBondContact O-CG1 3.34Å; I514-I518 PolarHBondContact O-N 3.19Å; I518-N520 VanDerWaalsContact C-N 3.3Å; I518-N520 PolarHBondContact O-N 3.45Å; I518-I521 WeakPolarHBondContact O-CG1 3.28Å; I518-I521 PolarHBondContact O-N 3.04Å; I518-C522 PolarHBondContact O-N 2.68Å; I518-C522 PolarHBondContact O-SG 3.09Å; I518-C522 VanDerWaalsContact O-SG 3.35Å; I518-L535 HydrophobicContact CG2-CD1 4.43Å
519N97.4Very high94.7Very high43 Ų4339 Ų3923%0.2321%0.209CC..Hα-helixtrans-63-36.7177.6178.974.3000112.2Q319 P515 V516 I521 C522 Q523Q319-N519 HydrophobicContact CB-CB 3.83Å; Q319-N519 HydrophobicContact CG-CB 4.32Å; P515-N519 WeakPolarHBondContact O-CB 3.36Å; P515-N519 PolarHBondContact O-N 2.94Å; V516-N519 PolarHBondContact O-N 3.5Å; N519-I521 PolarHBondContact O-N 3.29Å; N519-C522 PolarHBondContact O-N 2.96Å; N519-Q523 PolarHBondContact ND2-NE2 3.02Å; N519-Q523 WeakPolarHBondContact O-CB 3.29Å; N519-Q523 WeakPolarHBondContact O-CG 3.47Å; N519-Q523 PolarHBondContact O-N 3.49Å
520N96.2Very high94.8Very high48 Ų4842.7 Ų42.726%0.25723%0.226SC..Hα-helixtrans-61.2-45.3178.1-74.1-4000112.3V516 H517 I518 C522 Q523 R524V516-N520 WeakPolarHBondContact O-CB 3.25Å; V516-N520 PolarHBondContact O-N 3.47Å; V516-N520 PolarHBondContact O-OD1 3.47Å; H517-N520 PolarHBondContact O-N 3.45Å; I518-N520 VanDerWaalsContact C-N 3.3Å; I518-N520 PolarHBondContact O-N 3.45Å; N520-C522 VanDerWaalsContact C-N 3.28Å; N520-C522 PolarHBondContact O-N 3.43Å; N520-Q523 PolarHBondContact O-N 3.32Å; N520-R524 WeakPolarHBondContact O-CB 3.36Å; N520-R524 VanDerWaalsContact O-CG 3.24Å; N520-R524 WeakPolarHBondContact O-CG 3.44Å; N520-R524 PolarHBondContact O-N 2.95Å
521I97.9Very high95.1Very high0 Ų044.4 Ų44.40%024%0.24CC..Hα-helixtrans-68.5-29.1179.462.6162000112.3Q218 T221 L222 L499 H517 I518 N519 Y526 V527Q218-I521 HydrophobicContact CB-CG2 4.08Å; Q218-I521 WeakPolarHBondContact O-CG2 3.49Å; T221-I521 HydrophobicContact CG2-CD1 3.92Å; L222-I521 HydrophobicContact CB-CG2 4.16Å; L499-I521 HydrophobicContact CD2-CD1 4.34Å; H517-I521 PolarHBondContact O-N 2.92Å; I518-I521 WeakPolarHBondContact O-CG1 3.28Å; I518-I521 PolarHBondContact O-N 3.04Å; N519-I521 PolarHBondContact O-N 3.29Å; I521-Y526 HydrophobicContact CB-CD2 4.43Å; I521-Y526 HydrophobicContact CG2-CD2 4.39Å; I521-Y526 PolarHBondContact O-N 3.48Å; I521-V527 HydrophobicContact CB-CG2 4.47Å; I521-V527 HydrophobicContact CD1-CG1 4.23Å; I521-V527 HydrophobicContact CD1-CG2 3.9Å; I521-V527 HydrophobicContact CG1-CG2 3.96Å
522C96.6Very high95.6Very high29 Ų2943.6 Ų43.620%0.19625%0.25CC..Hα-helixtrans-71.3-48.5171.9-64.60000111.5I518 N519 N520 R524 N525 V527I518-C522 PolarHBondContact O-N 2.68Å; I518-C522 PolarHBondContact O-SG 3.09Å; I518-C522 VanDerWaalsContact O-SG 3.35Å; N519-C522 PolarHBondContact O-N 2.96Å; N520-C522 VanDerWaalsContact C-N 3.28Å; N520-C522 PolarHBondContact O-N 3.43Å; C522-R524 VanDerWaalsContact C-N 3.27Å; C522-R524 PolarHBondContact O-N 2.7Å; C522-N525 WeakPolarHBondContact O-CA 3.46Å; C522-N525 PolarHBondContact O-N 3.18Å; C522-V527 HydrophobicContact CB-CG2 4.44Å; C522-V527 VanDerWaalsContact SG-CG2 3.57Å
523Q95.1Very high96.2Very high141 Ų14145.9 Ų45.966%0.65925%0.254SS*.Hα-helixtrans-62.8-33.3179.8-76.5-174-10.800112.7N519 N520 N525N519-Q523 PolarHBondContact ND2-NE2 3.02Å; N519-Q523 WeakPolarHBondContact O-CB 3.29Å; N519-Q523 WeakPolarHBondContact O-CG 3.47Å; N519-Q523 PolarHBondContact O-N 3.49Å; N520-Q523 PolarHBondContact O-N 3.32Å; Q523-N525 PolarHBondContact O-N 3.08Å
524R93.1Very high96.5Very high109 Ų10947.8 Ų47.841%0.41126%0.258SS..THydrogen-bonded Turntrans-79.11.6174.5-65.8-67.5-176.2158.3-0.4113.7N520 C522 Y526N520-R524 WeakPolarHBondContact O-CB 3.36Å; N520-R524 VanDerWaalsContact O-CG 3.24Å; N520-R524 WeakPolarHBondContact O-CG 3.44Å; N520-R524 PolarHBondContact O-N 2.95Å; C522-R524 VanDerWaalsContact C-N 3.27Å; C522-R524 PolarHBondContact O-N 2.7Å; R524-Y526 HydrophobicContact CB-CD1 4.25Å; R524-Y526 HydrophobicContact CB-CD2 4.01Å; R524-Y526 HydrophobicContact CB-CE1 4.13Å; R524-Y526 HydrophobicContact CB-CE2 3.91Å; R524-Y526 HydrophobicContact CB-CG 4.2Å; R524-Y526 HydrophobicContact CG-CE2 4.49Å; R524-Y526 PolarHBondContact O-N 2.95Å
525N95.4Very high96.6Very high86 Ų8647.3 Ų47.346%0.4626%0.255SS..THydrogen-bonded Turntrans56.634.8-179.3-164.235.5000113.4C522 Q523 T538C522-N525 WeakPolarHBondContact O-CA 3.46Å; C522-N525 PolarHBondContact O-N 3.18Å; Q523-N525 PolarHBondContact O-N 3.08Å; N525-T538 WeakPolarHBondContact O-CG2 3.22Å; N525-T538 PolarHBondContact O-OG1 2.94Å
526Y97.8Very high96.7Very high3 Ų351.5 Ų51.51%0.01227%0.273CS..SBendtrans-82.5-24170.3-60.8-24.4000112.1L211 S213 L222 I521 R524 P537 T538 L540 L544L211-Y526 PolarHBondContact O-OH 3.18Å; S213-Y526 WeakPolarHBondContact CA-OH 3.46Å; S213-Y526 PolarHBondContact N-OH 2.92Å; S213-Y526 PolarHBondContact O-OH 2.75Å; S213-Y526 PolarHBondContact OG-OH 3.01Å; L222-Y526 HydrophobicContact CD2-CD2 3.76Å; L222-Y526 HydrophobicContact CD2-CE2 4.49Å; L222-Y526 HydrophobicContact CD2-CG 3.94Å; I521-Y526 HydrophobicContact CB-CD2 4.43Å; I521-Y526 HydrophobicContact CG2-CD2 4.39Å; I521-Y526 PolarHBondContact O-N 3.48Å; R524-Y526 HydrophobicContact CB-CD1 4.25Å; R524-Y526 HydrophobicContact CB-CD2 4.01Å; R524-Y526 HydrophobicContact CB-CE1 4.13Å; R524-Y526 HydrophobicContact CB-CE2 3.91Å; R524-Y526 HydrophobicContact CB-CG 4.2Å; R524-Y526 HydrophobicContact CG-CE2 4.49Å; R524-Y526 PolarHBondContact O-N 2.95Å; Y526-P537 WeakPolarHBondContact O-CA 3.46Å; Y526-T538 PolarHBondContact O-N 3.31Å; Y526-T538 PolarHBondContact O-OG1 3.45Å; Y526-L540 HydrophobicContact CD1-CD2 4.31Å; Y526-L540 HydrophobicContact CD1-CG 4.39Å; Y526-L540 HydrophobicContact CE1-CD2 3.98Å; Y526-L540 HydrophobicContact CE1-CG 4.26Å; Y526-L544 HydrophobicContact CD1-CD1 4.13Å; Y526-L544 HydrophobicContact CE1-CD1 3.52Å; Y526-L544 HydrophobicContact CE2-CD1 4.44Å
527V98.2Very high96.8Very high2 Ų248.8 Ų48.81%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-134.2147.3171.7-63.50000109.6L222 C225 I521 C522 L535 K536L222-V527 HydrophobicContact CD1-CG1 3.68Å; C225-V527 HydrophobicContact CB-CG1 4.11Å; I521-V527 HydrophobicContact CB-CG2 4.47Å; I521-V527 HydrophobicContact CD1-CG1 4.23Å; I521-V527 HydrophobicContact CD1-CG2 3.9Å; I521-V527 HydrophobicContact CG1-CG2 3.96Å; C522-V527 HydrophobicContact CB-CG2 4.44Å; C522-V527 VanDerWaalsContact SG-CG2 3.57Å; V527-L535 HydrophobicContact CB-CB 4.39Å; V527-L535 HydrophobicContact CG2-CD2 4.12Å; V527-K536 CarbonylContact C-O 3.52Å; V527-K536 VanDerWaalsContact CA-O 3.23Å; V527-K536 WeakPolarHBondContact CA-O 3.06Å
528T97.4Very high96.7Very high48 Ų4849.1 Ų49.129%0.29426%0.261SS..EExtended strand (participates in β ladder)trans-103.3148.3165.857.20000109.9E530 K536 T538T528-E530 PolarHBondContact OG1-OE1 3.46Å; T528-K536 PolarHBondContact N-O 2.87Å; T528-K536 PolarHBondContact O-N 2.73Å; T528-T538 HydrophobicContact CG2-CG2 3.94Å
529V97.4Very high96.4Very high52 Ų5254.5 Ų54.532%0.31529%0.289SS..EExtended strand (participates in β ladder)trans-99.5102.4-179.6-1540000110.2R533 R534 L535V529-R533 VanDerWaalsContact CB-NH2 3.28Å; V529-R533 VanDerWaalsContact CG1-NE 3.29Å; V529-R533 PolarHBondContact O-NH2 3.45Å; V529-R534 CarbonylContact C-O 3.01Å; V529-R534 WeakPolarHBondContact CA-O 3.41Å; V529-L535 HydrophobicContact CB-CD2 4.5Å; V529-L535 HydrophobicContact CG1-CD2 4.07Å; V529-L535 HydrophobicContact CG2-CD2 4Å
530E95.8Very high96.2Very high79 Ų7953.3 Ų53.337%0.36928%0.283SS..EExtended strand (participates in β ladder)trans-83178.5-177.7-62.7-64.9155.500112.5T528 R533 R534 K536T528-E530 PolarHBondContact OG1-OE1 3.46Å; E530-R533 WeakPolarHBondContact O-CA 3.4Å; E530-R533 PolarHBondContact O-N 2.9Å; E530-R533 VanDerWaalsContact O-N 3.07Å; E530-R534 HydrophobicContact CB-CB 4.28Å; E530-R534 PolarHBondContact N-O 2.98Å; E530-K536 HydrophobicContact CG-CB 3.89Å; E530-K536 HydrophobicContact CG-CD 4.31Å
531S94.9Very high96.2Very high82 Ų8251 Ų5157%0.57327%0.271SS*.G310 helixtrans-55.6142.7174.762.20000111.8R533 R534S531-R533 VanDerWaalsContact C-N 3.25Å; S531-R533 PolarHBondContact O-N 3.34Å; S531-R534 PolarHBondContact O-NE 2.67Å; S531-R534 PolarHBondContact O-NH2 3.35Å; S531-R534 PolarHBondContact OG-NH2 3.16Å
532G94.1Very high96.1Very high59 Ų5952.1 Ų52.161%0.60828%0.276SS*.G310 helixtrans71.817.7-171.700000114.1R534G532-R534 PolarHBondContact O-N 2.87Å
533R96.7Very high96Very high68 Ų6851.2 Ų51.226%0.25727%0.27SS..G310 helixtrans57.736.4179.5-57.3-86.855.880.81.7113S311 T495 E496 V529 E530 S531S311-R533 WeakPolarHBondContact OG-CB 3.23Å; T495-R533 WeakPolarHBondContact CA-O 3.33Å; E496-R533 HydrophobicContact CG-CB 4.49Å; E496-R533 PolarHBondContact N-O 2.69Å; V529-R533 VanDerWaalsContact CB-NH2 3.28Å; V529-R533 VanDerWaalsContact CG1-NE 3.29Å; V529-R533 PolarHBondContact O-NH2 3.45Å; E530-R533 WeakPolarHBondContact O-CA 3.4Å; E530-R533 PolarHBondContact O-N 2.9Å; E530-R533 VanDerWaalsContact O-N 3.07Å; S531-R533 VanDerWaalsContact C-N 3.25Å; S531-R533 PolarHBondContact O-N 3.34Å
534R98.2Very high96.1Very high61 Ų6144.6 Ų44.623%0.2324%0.239CC..EExtended strand (participates in β ladder)trans-81.7137.8175.7-69.7174-67.7159.14.3110.5D492 L494 T495 V529 E530 S531 G532D492-R534 VanDerWaalsContact CG-CD 3.45Å; D492-R534 VanDerWaalsContact CG-NH1 3.29Å; D492-R534 WeakPolarHBondContact OD1-CD 3.35Å; D492-R534 IonicContact OD1-CZ 3.59Å; D492-R534 IonicContact OD1-NH1 2.75Å; D492-R534 PolarHBondContact OD1-NH1 2.87Å; D492-R534 WeakPolarHBondContact OD2-CD 3.39Å; D492-R534 IonicContact OD2-CZ 3.81Å; D492-R534 IonicContact OD2-NE 2.73Å; D492-R534 IonicContact OD2-NH1 3.39Å; D492-R534 PolarHBondContact OD2-NH1 3.37Å; L494-R534 CarbonylContact O-C 3.33Å; L494-R534 WeakPolarHBondContact O-CA 3.48Å; T495-R534 HydrophobicContact CG2-CG 3.96Å; V529-R534 CarbonylContact C-O 3.01Å; V529-R534 WeakPolarHBondContact CA-O 3.41Å; E530-R534 HydrophobicContact CB-CB 4.28Å; E530-R534 PolarHBondContact N-O 2.98Å; S531-R534 PolarHBondContact O-NE 2.67Å; S531-R534 PolarHBondContact O-NH2 3.35Å; S531-R534 PolarHBondContact OG-NH2 3.16Å; G532-R534 PolarHBondContact O-N 2.87Å
535L98.4Very high96.4Very high0 Ų039.7 Ų39.70%022%0.221CC..EExtended strand (participates in β ladder)trans-99.4101.1-178.6-61172.9000109.1L494 E496 L499 I518 V527 V529 P537L494-L535 PolarHBondContact O-N 2.75Å; E496-L535 HydrophobicContact CG-CD1 4.08Å; E496-L535 HydrophobicContact CG-CD2 3.98Å; E496-L535 HydrophobicContact CG-CG 4.08Å; L499-L535 HydrophobicContact CB-CD1 4.21Å; L499-L535 HydrophobicContact CD2-CD1 3.32Å; L499-L535 HydrophobicContact CG-CD1 4.41Å; I518-L535 HydrophobicContact CG2-CD1 4.43Å; V527-L535 HydrophobicContact CB-CB 4.39Å; V527-L535 HydrophobicContact CG2-CD2 4.12Å; V529-L535 HydrophobicContact CB-CD2 4.5Å; V529-L535 HydrophobicContact CG1-CD2 4.07Å; V529-L535 HydrophobicContact CG2-CD2 4Å; L535-P537 WeakPolarHBondContact O-CD 3.32Å
536K98.3Very high96.4Very high90 Ų9038.5 Ų38.539%0.39121%0.213SC..EExtended strand (participates in β ladder)trans-94118.1178.9-179.4179.8176-174.60109.6Y493 V527 T528 E530 T538Y493-K536 HydrophobicContact CD2-CG 4.46Å; Y493-K536 HydrophobicContact CE1-CG 4.22Å; Y493-K536 HydrophobicContact CE2-CD 4.38Å; Y493-K536 HydrophobicContact CE2-CG 4.14Å; Y493-K536 HydrophobicContact CG-CB 4.48Å; V527-K536 CarbonylContact C-O 3.52Å; V527-K536 VanDerWaalsContact CA-O 3.23Å; V527-K536 WeakPolarHBondContact CA-O 3.06Å; T528-K536 PolarHBondContact N-O 2.87Å; T528-K536 PolarHBondContact O-N 2.73Å; E530-K536 HydrophobicContact CG-CB 3.89Å; E530-K536 HydrophobicContact CG-CD 4.31Å; K536-T538 PolarHBondContact O-N 3.36Å
537P98.2Very high96.3Very high7 Ų738.4 Ų38.45%0.04521%0.212CC..EExtended strand (participates in β ladder)trans-58.4137174.9-26.437.1000112.7C225 V226 H229 Y526 L535 I542C225-P537 HydrophobicContact CB-CG 3.94Å; C225-P537 WeakPolarHBondContact O-CG 3.44Å; V226-P537 HydrophobicContact CG2-CB 3.98Å; V226-P537 HydrophobicContact CG2-CG 4.05Å; H229-P537 HydrophobicContact CB-CG 4Å; Y526-P537 WeakPolarHBondContact O-CA 3.46Å; L535-P537 WeakPolarHBondContact O-CD 3.32Å; P537-I542 HydrophobicContact CB-CD1 4.1Å; P537-I542 HydrophobicContact CB-CG1 3.57Å
538T95.9Very high96.3Very high24 Ų2438.4 Ų38.415%0.14721%0.212CC..PPolyproline II helixtrans-81.6165.5170.366.80000110.3N525 Y526 T528 K536 L540 G541 I542N525-T538 WeakPolarHBondContact O-CG2 3.22Å; N525-T538 PolarHBondContact O-OG1 2.94Å; Y526-T538 PolarHBondContact O-N 3.31Å; Y526-T538 PolarHBondContact O-OG1 3.45Å; T528-T538 HydrophobicContact CG2-CG2 3.94Å; K536-T538 PolarHBondContact O-N 3.36Å; T538-L540 PolarHBondContact O-N 3.24Å; T538-G541 PolarHBondContact O-N 3.09Å; T538-G541 PolarHBondContact OG1-N 3.36Å; T538-I542 WeakPolarHBondContact O-CG1 3.37Å; T538-I542 PolarHBondContact O-N 2.91Å
539N90.6Very high96.3Very high114 Ų11442 Ų4261%0.6122%0.221SC*.Hα-helixtrans-54.3-42.2176.9-69.612.2000111.8I542 V543N539-I542 PolarHBondContact O-N 3.42Å; N539-V543 WeakPolarHBondContact O-CB 3.43Å; N539-V543 VanDerWaalsContact O-CG2 3.22Å; N539-V543 WeakPolarHBondContact O-CG2 3.5Å; N539-V543 PolarHBondContact O-N 2.95Å
540L93.2Very high96.1Very high18 Ų1844.8 Ų44.89%0.09423%0.229CC..Hα-helixtrans-63.9-44.8176.7-178.760.4000111.7L207 L211 I212 Y526 T538 I542 V543 L544 M607 F611L207-L540 HydrophobicContact CD1-CD1 4.01Å; L211-L540 HydrophobicContact CB-CD2 4.11Å; I212-L540 HydrophobicContact CG1-CD1 4.27Å; Y526-L540 HydrophobicContact CD1-CD2 4.31Å; Y526-L540 HydrophobicContact CD1-CG 4.39Å; Y526-L540 HydrophobicContact CE1-CD2 3.98Å; Y526-L540 HydrophobicContact CE1-CG 4.26Å; T538-L540 PolarHBondContact O-N 3.24Å; L540-I542 PolarHBondContact O-N 2.92Å; L540-V543 PolarHBondContact O-N 2.8Å; L540-L544 HydrophobicContact CD1-CD1 4.03Å; L540-L544 HydrophobicContact CD1-CG 4.05Å; L540-L544 HydrophobicContact CG-CD1 3.9Å; L540-L544 HydrophobicContact CG-CG 4.37Å; L540-L544 WeakPolarHBondContact O-CB 3.37Å; L540-L544 VanDerWaalsContact O-CG 3.23Å; L540-L544 WeakPolarHBondContact O-CG 3.27Å; L540-L544 PolarHBondContact O-N 3.21Å; L540-M607 HydrophobicContact CD1-CE 3.64Å; L540-M607 HydrophobicContact CD1-SD 4.34Å; L540-F611 HydrophobicContact CB-CZ 3.98Å; L540-F611 HydrophobicContact CD1-CE2 4.2Å; L540-F611 HydrophobicContact CD1-CZ 4.01Å
541G96.4Very high96.1Very high0 Ų041.7 Ų41.70%022%0.215CC..Hα-helixtrans-60.4-43.8178.300000112.9T538 V545T538-G541 PolarHBondContact O-N 3.09Å; T538-G541 PolarHBondContact OG1-N 3.36Å; G541-V545 PolarHBondContact O-N 3.15Å; G541-V545 VanDerWaalsContact O-N 3.13Å
542I96.6Very high96.3Very high23 Ų2339 Ų3912%0.11819%0.194CC..Hα-helixtrans-62.3-52.4177.6-64.4163.8000110.3V226 P537 T538 N539 L540 L544 V545 H546V226-I542 HydrophobicContact CG1-CG2 4.46Å; V226-I542 HydrophobicContact CG2-CG1 4.39Å; P537-I542 HydrophobicContact CB-CD1 4.1Å; P537-I542 HydrophobicContact CB-CG1 3.57Å; T538-I542 WeakPolarHBondContact O-CG1 3.37Å; T538-I542 PolarHBondContact O-N 2.91Å; N539-I542 PolarHBondContact O-N 3.42Å; L540-I542 PolarHBondContact O-N 2.92Å; I542-L544 VanDerWaalsContact C-N 3.33Å; I542-L544 PolarHBondContact O-N 3.42Å; I542-V545 PolarHBondContact O-N 3.39Å; I542-H546 WeakPolarHBondContact CG2-CE1 3.24Å; I542-H546 WeakPolarHBondContact O-CB 3.48Å; I542-H546 PolarHBondContact O-N 2.98Å
543V94.6Very high96.5Very high10 Ų1037.5 Ų37.56%0.06118%0.176CC..Hα-helixtrans-61.2-41.4-177.2168.80000111.6N539 L540 G547 M603 L606 M607 S610 F611N539-V543 WeakPolarHBondContact O-CB 3.43Å; N539-V543 VanDerWaalsContact O-CG2 3.22Å; N539-V543 WeakPolarHBondContact O-CG2 3.5Å; N539-V543 PolarHBondContact O-N 2.95Å; L540-V543 PolarHBondContact O-N 2.8Å; V543-G547 PolarHBondContact O-N 3.15Å; V543-M603 HydrophobicContact CG1-CE 3.48Å; V543-M603 VanDerWaalsContact CG1-CE 3.48Å; V543-M603 VanDerWaalsContact O-CE 3.25Å; V543-M603 WeakPolarHBondContact O-CE 3.39Å; V543-L606 HydrophobicContact CG1-CB 3.87Å; V543-M607 HydrophobicContact CG1-CE 4.13Å; V543-M607 HydrophobicContact CG1-CG 3.92Å; V543-M607 HydrophobicContact CG1-SD 3.71Å; V543-S610 WeakPolarHBondContact CG2-OG 3.34Å; V543-F611 HydrophobicContact CB-CE2 4.35Å; V543-F611 HydrophobicContact CG1-CE2 4.28Å; V543-F611 HydrophobicContact CG2-CE2 4.31Å
544L97.2Very high96.5Very high1 Ų138.6 Ų38.61%0.00518%0.184CC..Hα-helixtrans-59.4-53174.8-74.6172.7000111.4I212 Y526 L540 I542 H546 G547 Y548 M603 M607I212-L544 HydrophobicContact CG2-CD2 3.93Å; Y526-L544 HydrophobicContact CD1-CD1 4.13Å; Y526-L544 HydrophobicContact CE1-CD1 3.52Å; Y526-L544 HydrophobicContact CE2-CD1 4.44Å; L540-L544 HydrophobicContact CD1-CD1 4.03Å; L540-L544 HydrophobicContact CD1-CG 4.05Å; L540-L544 HydrophobicContact CG-CD1 3.9Å; L540-L544 HydrophobicContact CG-CG 4.37Å; L540-L544 WeakPolarHBondContact O-CB 3.37Å; L540-L544 VanDerWaalsContact O-CG 3.23Å; L540-L544 WeakPolarHBondContact O-CG 3.27Å; L540-L544 PolarHBondContact O-N 3.21Å; I542-L544 VanDerWaalsContact C-N 3.33Å; I542-L544 PolarHBondContact O-N 3.42Å; L544-H546 PolarHBondContact O-N 2.91Å; L544-G547 PolarHBondContact O-N 3.02Å; L544-Y548 HydrophobicContact CB-CD2 4.36Å; L544-Y548 HydrophobicContact CB-CE2 3.93Å; L544-Y548 HydrophobicContact CD2-CE2 4.21Å; L544-Y548 WeakPolarHBondContact O-CD2 3.44Å; L544-Y548 PolarHBondContact O-N 3.23Å; L544-M603 HydrophobicContact CD2-CE 4.03Å; L544-M603 HydrophobicContact CD2-SD 4.27Å; L544-M607 HydrophobicContact CD2-CE 3.65Å; L544-M607 HydrophobicContact CG-CE 4.15Å
545V98.2Very high96.5Very high6 Ų635.9 Ų35.94%0.03617%0.174CC..Hα-helixtrans-61.9-47.3-179.4169.90000111.7L222 V226 G541 I542 G547 Y548 Y549 V556L222-V545 HydrophobicContact CB-CG2 4.28Å; L222-V545 HydrophobicContact CD2-CG2 3.72Å; L222-V545 HydrophobicContact CG-CG2 3.63Å; V226-V545 HydrophobicContact CB-CB 3.99Å; V226-V545 HydrophobicContact CB-CG1 3.86Å; V226-V545 HydrophobicContact CB-CG2 4.15Å; V226-V545 HydrophobicContact CG1-CB 3.97Å; V226-V545 HydrophobicContact CG1-CG1 3.81Å; V226-V545 HydrophobicContact CG2-CB 3.9Å; V226-V545 HydrophobicContact CG2-CG1 4.32Å; V226-V545 HydrophobicContact CG2-CG2 3.73Å; G541-V545 PolarHBondContact O-N 3.15Å; G541-V545 VanDerWaalsContact O-N 3.13Å; I542-V545 PolarHBondContact O-N 3.39Å; V545-G547 VanDerWaalsContact C-N 3.32Å; V545-G547 PolarHBondContact O-N 2.6Å; V545-Y548 PolarHBondContact O-N 3.09Å; V545-Y549 VanDerWaalsContact O-CB 3.25Å; V545-Y549 WeakPolarHBondContact O-CB 3.49Å; V545-Y549 PolarHBondContact O-N 2.78Å; V545-V556 HydrophobicContact CG1-CG1 3.72Å; V545-V556 HydrophobicContact CG1-CG2 4.25Å
546H97.1Very high96.4Very high62 Ų6236.4 Ų36.429%0.28718%0.177SC..Hα-helixtrans-62.2-39.7178.7-70175.5000112.1D230 I542 L544 Y549 K550 L606D230-H546 VanDerWaalsContact CG-NE2 3.28Å; D230-H546 IonicContact OD1-CE1 3.34Å; D230-H546 PolarHBondContact OD1-CE1 3.09Å; D230-H546 VanDerWaalsContact OD1-CE1 3.29Å; D230-H546 IonicContact OD1-NE2 2.65Å; D230-H546 PolarHBondContact OD1-NE2 3.2Å; D230-H546 IonicContact OD2-CD2 3.83Å; D230-H546 IonicContact OD2-CE1 3.98Å; D230-H546 IonicContact OD2-NE2 3.1Å; D230-H546 PolarHBondContact OD2-NE2 2.84Å; I542-H546 WeakPolarHBondContact CG2-CE1 3.24Å; I542-H546 WeakPolarHBondContact O-CB 3.48Å; I542-H546 PolarHBondContact O-N 2.98Å; L544-H546 PolarHBondContact O-N 2.91Å; H546-Y549 PolarHBondContact O-N 2.84Å; H546-K550 VanDerWaalsContact O-CB 3.25Å; H546-K550 WeakPolarHBondContact O-CB 3.43Å; H546-K550 PolarHBondContact O-N 3.27Å; H546-L606 HydrophobicContact CB-CD1 3.95Å
547G95.4Very high96.4Very high0 Ų035.3 Ų35.30%018%0.175CC..Hα-helixtrans-66.8-47.517700000112.7V543 L544 V545 Y549 K550 I551V543-G547 PolarHBondContact O-N 3.15Å; L544-G547 PolarHBondContact O-N 3.02Å; V545-G547 VanDerWaalsContact C-N 3.32Å; V545-G547 PolarHBondContact O-N 2.6Å; G547-Y549 VanDerWaalsContact C-N 3.33Å; G547-Y549 PolarHBondContact O-N 3.38Å; G547-K550 PolarHBondContact O-N 3.15Å; G547-I551 WeakPolarHBondContact O-CG1 3.48Å; G547-I551 PolarHBondContact O-N 3.09Å; G547-I551 VanDerWaalsContact O-N 3.12Å
548Y98.3Very high96.4Very high3 Ų335.5 Ų35.51%0.01218%0.177CC..Hα-helixtrans-58.8-45.8173-66.8-53.1000111.2Q196 F214 T219 L544 V545 K550 I551 D552 L555 F596Q196-Y548 VanDerWaalsContact CD-OH 3.31Å; Q196-Y548 PolarHBondContact NE2-OH 3.3Å; Q196-Y548 PolarHBondContact OE1-OH 3.39Å; F214-Y548 HydrophobicContact CD2-CD1 4.44Å; F214-Y548 AromaticContact CD2-CE1 3.85Å; F214-Y548 HydrophobicContact CD2-CE1 3.85Å; F214-Y548 HydrophobicContact CD2-CE2 4.07Å; F214-Y548 AromaticContact CD2-CZ 3.66Å; F214-Y548 HydrophobicContact CE2-CE1 4.44Å; T219-Y548 HydrophobicContact CG2-CD2 3.72Å; T219-Y548 HydrophobicContact CG2-CE2 4.01Å; T219-Y548 HydrophobicContact CG2-CG 4.49Å; L544-Y548 HydrophobicContact CB-CD2 4.36Å; L544-Y548 HydrophobicContact CB-CE2 3.93Å; L544-Y548 HydrophobicContact CD2-CE2 4.21Å; L544-Y548 WeakPolarHBondContact O-CD2 3.44Å; L544-Y548 PolarHBondContact O-N 3.23Å; V545-Y548 PolarHBondContact O-N 3.09Å; Y548-K550 PolarHBondContact O-N 3.37Å; Y548-I551 PolarHBondContact O-N 2.98Å; Y548-D552 CarbonylContact O-C 3.43Å; Y548-D552 VanDerWaalsContact O-C 3.28Å; Y548-D552 PolarHBondContact O-N 3.43Å; Y548-L555 HydrophobicContact CD1-CD1 4.28Å; Y548-F596 HydrophobicContact CD1-CD2 4.31Å; Y548-F596 AromaticContact CD1-CE2 3.56Å; Y548-F596 HydrophobicContact CD1-CE2 3.56Å; Y548-F596 HydrophobicContact CD1-CZ 4.2Å; Y548-F596 AromaticContact CE1-CE2 3.65Å; Y548-F596 HydrophobicContact CE1-CE2 3.65Å; Y548-F596 AromaticContact CE1-CZ 3.79Å; Y548-F596 HydrophobicContact CE1-CZ 3.79Å
549Y96Very high96.5Very high122 Ų12239 Ų3948%0.47820%0.198SC..Hα-helixtrans-64.5-39.8-178.4-161.1-78.7000112.5V545 H546 G547 I551 A553 V556 L557V545-Y549 VanDerWaalsContact O-CB 3.25Å; V545-Y549 WeakPolarHBondContact O-CB 3.49Å; V545-Y549 PolarHBondContact O-N 2.78Å; H546-Y549 PolarHBondContact O-N 2.84Å; G547-Y549 VanDerWaalsContact C-N 3.33Å; G547-Y549 PolarHBondContact O-N 3.38Å; Y549-I551 VanDerWaalsContact C-N 3.3Å; Y549-I551 PolarHBondContact O-N 2.96Å; Y549-A553 HydrophobicContact CD1-CB 4.2Å; Y549-A553 HydrophobicContact CD2-CB 4.08Å; Y549-A553 HydrophobicContact CE1-CB 3.98Å; Y549-A553 HydrophobicContact CE2-CB 3.86Å; Y549-A553 HydrophobicContact CG-CB 4.25Å; Y549-A553 PolarHBondContact O-N 3.14Å; Y549-V556 HydrophobicContact CD2-CB 4.06Å; Y549-V556 HydrophobicContact CD2-CG1 4.26Å; Y549-V556 HydrophobicContact CD2-CG2 4.42Å; Y549-L557 HydrophobicContact CE2-CD2 4.25Å; Y549-L557 HydrophobicContact CE2-CG 4.29Å
550K94.1Very high96.7Very high112 Ų11235.4 Ų35.449%0.48718%0.178SC..Hα-helixtrans-64.4-34.5176.5-178.2178.5172-1700112.1H546 G547 Y548 E605H546-K550 VanDerWaalsContact O-CB 3.25Å; H546-K550 WeakPolarHBondContact O-CB 3.43Å; H546-K550 PolarHBondContact O-N 3.27Å; G547-K550 PolarHBondContact O-N 3.15Å; Y548-K550 PolarHBondContact O-N 3.37Å; K550-E605 IonicContact NZ-OE2 3.19Å; K550-E605 PolarHBondContact NZ-OE2 3.43Å
551I96.8Very high96.9Very high13 Ų1334.9 Ų34.97%0.06718%0.175CC..Hα-helixtrans-78.4-59.7176.8-66.8168.9000110G547 Y548 Y549 Y595 F596 S599 M603G547-I551 WeakPolarHBondContact O-CG1 3.48Å; G547-I551 PolarHBondContact O-N 3.09Å; G547-I551 VanDerWaalsContact O-N 3.12Å; Y548-I551 PolarHBondContact O-N 2.98Å; Y549-I551 VanDerWaalsContact C-N 3.3Å; Y549-I551 PolarHBondContact O-N 2.96Å; I551-Y595 HydrophobicContact CG2-CD1 4.26Å; I551-Y595 HydrophobicContact CG2-CE1 4.06Å; I551-Y595 WeakPolarHBondContact O-CE1 3.45Å; I551-F596 HydrophobicContact CB-CD2 4.46Å; I551-F596 HydrophobicContact CD1-CD2 3.76Å; I551-F596 HydrophobicContact CD1-CE2 3.63Å; I551-F596 HydrophobicContact CG2-CB 4.46Å; I551-F596 HydrophobicContact CG2-CD2 3.97Å; I551-S599 WeakPolarHBondContact CD1-O 3.47Å; I551-S599 WeakPolarHBondContact CG1-O 3.42Å; I551-M603 HydrophobicContact CD1-CB 3.89Å
552D97.9Very high97Very high25 Ų2535.4 Ų35.413%0.13418%0.179CC..  trans-150.8104.8-177.7179.15.9000110.5Y548 E554 L555 K592 Y595Y548-D552 CarbonylContact O-C 3.43Å; Y548-D552 VanDerWaalsContact O-C 3.28Å; Y548-D552 PolarHBondContact O-N 3.43Å; D552-E554 PolarHBondContact O-N 2.94Å; D552-E554 VanDerWaalsContact O-N 3.11Å; D552-E554 WeakPolarHBondContact OD1-CB 3.49Å; D552-E554 PolarHBondContact OD1-N 3.1Å; D552-L555 HydrophobicContact CB-CD1 4Å; D552-L555 HydrophobicContact CB-CG 4.04Å; D552-L555 WeakPolarHBondContact O-CB 3.47Å; D552-L555 PolarHBondContact O-N 2.83Å; D552-K592 IonicContact OD1-NZ 2.68Å; D552-K592 PolarHBondContact OD1-NZ 3.44Å; D552-K592 WeakPolarHBondContact OD2-CD 3.18Å; D552-K592 IonicContact OD2-NZ 3.26Å; D552-K592 PolarHBondContact OD2-NZ 2.79Å; D552-Y595 HydrophobicContact CB-CE1 4.48Å
553A97.6Very high97Very high28 Ų2836.8 Ų36.823%0.23119%0.193CC..G310 helixtrans-56.6-27.9-179.700000113.5Y549 L555 V556 L557Y549-A553 HydrophobicContact CD1-CB 4.2Å; Y549-A553 HydrophobicContact CD2-CB 4.08Å; Y549-A553 HydrophobicContact CE1-CB 3.98Å; Y549-A553 HydrophobicContact CE2-CB 3.86Å; Y549-A553 HydrophobicContact CG-CB 4.25Å; Y549-A553 PolarHBondContact O-N 3.14Å; A553-L555 PolarHBondContact O-N 3.31Å; A553-V556 PolarHBondContact O-N 3.29Å; A553-V556 VanDerWaalsContact O-N 3.07Å; A553-L557 HydrophobicContact CB-CD1 4.19Å; A553-L557 WeakPolarHBondContact O-CG 3.48Å; A553-L557 PolarHBondContact O-N 2.91Å
554E97.4Very high97Very high91 Ų9136.9 Ų36.943%0.42519%0.194SC..G310 helixtrans-69.6-12.4179.5-66.1-177176.300113.5D552 V556 I560 K592D552-E554 PolarHBondContact O-N 2.94Å; D552-E554 VanDerWaalsContact O-N 3.11Å; D552-E554 WeakPolarHBondContact OD1-CB 3.49Å; D552-E554 PolarHBondContact OD1-N 3.1Å; E554-V556 VanDerWaalsContact C-N 3.31Å; E554-I560 HydrophobicContact CB-CG1 3.91Å; E554-I560 HydrophobicContact CG-CG1 4.47Å; E554-K592 WeakPolarHBondContact OE2-CE 3.45Å; E554-K592 IonicContact OE2-NZ 3.83Å; E554-K592 PolarHBondContact OE2-NZ 2.98Å
555L97.4Very high97Very high5 Ų537.2 Ų37.23%0.02620%0.196CC..G310 helixtrans-75.8-20.9171.3-63.4176.8000112.9F192 F214 T219 Y548 D552 A553 F589 K592 F596F192-L555 HydrophobicContact CE1-CD1 4.26Å; F192-L555 HydrophobicContact CE1-CD2 4.34Å; F192-L555 HydrophobicContact CZ-CD2 4.19Å; F214-L555 HydrophobicContact CE2-CB 4.3Å; F214-L555 HydrophobicContact CE2-CD2 4.46Å; F214-L555 HydrophobicContact CZ-CD2 4.12Å; T219-L555 WeakPolarHBondContact CG2-O 3.5Å; Y548-L555 HydrophobicContact CD1-CD1 4.28Å; D552-L555 HydrophobicContact CB-CD1 4Å; D552-L555 HydrophobicContact CB-CG 4.04Å; D552-L555 WeakPolarHBondContact O-CB 3.47Å; D552-L555 PolarHBondContact O-N 2.83Å; A553-L555 PolarHBondContact O-N 3.31Å; L555-F589 HydrophobicContact CD2-CE1 4.49Å; L555-K592 HydrophobicContact CD2-CD 4.21Å; L555-F596 HydrophobicContact CD1-CD2 4.12Å
556V98.3Very high96.9Very high10 Ų1043.4 Ų43.46%0.06122%0.222CC..THydrogen-bonded Turntrans-108.6-39.8-178.9179.80000111.1T219 P220 V545 Y549 A553 E554T219-V556 HydrophobicContact CG2-CG2 4.4Å; P220-V556 WeakPolarHBondContact CA-O 3.5Å; P220-V556 WeakPolarHBondContact CB-O 3.35Å; V545-V556 HydrophobicContact CG1-CG1 3.72Å; V545-V556 HydrophobicContact CG1-CG2 4.25Å; Y549-V556 HydrophobicContact CD2-CB 4.06Å; Y549-V556 HydrophobicContact CD2-CG1 4.26Å; Y549-V556 HydrophobicContact CD2-CG2 4.42Å; A553-V556 PolarHBondContact O-N 3.29Å; A553-V556 VanDerWaalsContact O-N 3.07Å; E554-V556 VanDerWaalsContact C-N 3.31Å
557L97.9Very high96.9Very high68 Ų6844.3 Ų44.336%0.35623%0.226SC..SBendtrans-64.4139.4179.1-67174000110.4Y549 A553 T559Y549-L557 HydrophobicContact CE2-CD2 4.25Å; Y549-L557 HydrophobicContact CE2-CG 4.29Å; A553-L557 HydrophobicContact CB-CD1 4.19Å; A553-L557 WeakPolarHBondContact O-CG 3.48Å; A553-L557 PolarHBondContact O-N 2.91Å; L557-T559 PolarHBondContact O-N 2.64Å
558P97.8Very high96.9Very high11 Ų1144.9 Ų44.97%0.07123%0.229CC..THydrogen-bonded Turntrans-69.2-7-176.731.1-38.6000113.4P220 F224 H506 I508 I560 R561 S562P220-P558 HydrophobicContact CB-CB 4.38Å; F224-P558 HydrophobicContact CE1-CG 4.23Å; F224-P558 HydrophobicContact CZ-CB 4.08Å; F224-P558 HydrophobicContact CZ-CG 3.82Å; H506-P558 HydrophobicContact CB-CB 3.99Å; H506-P558 HydrophobicContact CB-CG 3.87Å; I508-P558 HydrophobicContact CD1-CB 4.1Å; I508-P558 HydrophobicContact CG2-CB 3.91Å; P558-I560 PolarHBondContact O-N 2.84Å; P558-R561 PolarHBondContact O-N 3.41Å; P558-S562 WeakPolarHBondContact O-CB 3.44Å; P558-S562 PolarHBondContact O-N 3.06Å
559T97.1Very high96.8Very high98 Ų9847.7 Ų47.760%0.60124%0.244SC*.Hα-helixtrans-57.6-49.1-171.5-52.20000113.3L557 A563L557-T559 PolarHBondContact O-N 2.64Å; T559-A563 PolarHBondContact O-N 3.49Å; T559-A563 VanDerWaalsContact O-N 3.14Å
560I95.9Very high96.9Very high37 Ų3744.5 Ų44.519%0.1924%0.235CC..Hα-helixtrans-66.1-45179.5-65.2-64.5000110.3E554 P558 S562 A563 V564 F589E554-I560 HydrophobicContact CB-CG1 3.91Å; E554-I560 HydrophobicContact CG-CG1 4.47Å; P558-I560 PolarHBondContact O-N 2.84Å; I560-S562 PolarHBondContact O-N 2.85Å; I560-A563 PolarHBondContact O-N 3.1Å; I560-V564 WeakPolarHBondContact O-CG2 3.48Å; I560-V564 PolarHBondContact O-N 3.18Å; I560-F589 HydrophobicContact CG2-CE2 3.7Å; I560-F589 HydrophobicContact CG2-CZ 3.59Å
561R97.3Very high97Very high8 Ų839.2 Ų39.23%0.0321%0.213CC..Hα-helixtrans-63-42.8-179.5-179.457.5-176.4-163.2-4.3111.8D185 C217 I508 P558 A563 V564 E565D185-R561 IonicContact OD1-CZ 2.78Å; D185-R561 IonicContact OD1-NH1 3.91Å; D185-R561 PolarHBondContact OD1-NH1 3.1Å; D185-R561 IonicContact OD1-NH2 3.86Å; D185-R561 IonicContact OD2-NH2 3.64Å; C217-R561 HydrophobicContact CB-CG 4.15Å; I508-R561 HydrophobicContact CB-CG 4.14Å; I508-R561 HydrophobicContact CG2-CB 3.88Å; I508-R561 HydrophobicContact CG2-CG 3.77Å; P558-R561 PolarHBondContact O-N 3.41Å; R561-A563 VanDerWaalsContact C-N 3.31Å; R561-A563 PolarHBondContact O-N 2.86Å; R561-V564 PolarHBondContact O-N 2.68Å; R561-V564 VanDerWaalsContact O-N 3.15Å; R561-E565 IonicContact CZ-OE1 3.57Å; R561-E565 IonicContact NE-OE1 2.81Å; R561-E565 PolarHBondContact NE-OE1 2.85Å; R561-E565 IonicContact NH2-OE1 2.86Å; R561-E565 PolarHBondContact NH2-OE1 3.18Å; R561-E565 PolarHBondContact O-N 3.28Å
562S97.1Very high97Very high11 Ų1138.9 Ų38.98%0.07721%0.211CC..Hα-helixtrans-61-40.3176.9-175.20000112.2H506 G507 P558 I560 E565 K566H506-S562 VanDerWaalsContact O-CB 3.26Å; H506-S562 WeakPolarHBondContact O-CB 3.5Å; H506-S562 PolarHBondContact O-OG 3Å; G507-S562 WeakPolarHBondContact O-CA 3.25Å; G507-S562 WeakPolarHBondContact O-CB 3.49Å; G507-S562 PolarHBondContact O-OG 3.32Å; P558-S562 WeakPolarHBondContact O-CB 3.44Å; P558-S562 PolarHBondContact O-N 3.06Å; I560-S562 PolarHBondContact O-N 2.85Å; S562-E565 PolarHBondContact O-N 3.05Å; S562-K566 VanDerWaalsContact O-CG 3.3Å; S562-K566 WeakPolarHBondContact O-CG 3.25Å; S562-K566 PolarHBondContact O-N 3.46Å
563A96.6Very high96.9Very high51 Ų5142.1 Ų42.142%0.42123%0.226SC..Hα-helixtrans-64-41.717500000111.8T559 I560 R561 K566 Q567T559-A563 PolarHBondContact O-N 3.49Å; T559-A563 VanDerWaalsContact O-N 3.14Å; I560-A563 PolarHBondContact O-N 3.1Å; R561-A563 VanDerWaalsContact C-N 3.31Å; R561-A563 PolarHBondContact O-N 2.86Å; A563-K566 PolarHBondContact O-N 3.09Å; A563-Q567 VanDerWaalsContact O-CG 3.32Å; A563-Q567 WeakPolarHBondContact O-CG 3.44Å; A563-Q567 PolarHBondContact O-N 2.78Å
564V96.4Very high96.8Very high13 Ų1342.9 Ų42.98%0.07924%0.237CC..Hα-helixtrans-62.5-47.5175.9172.90000111.1L184 I560 R561 K566 Q567 L568 T585L184-V564 HydrophobicContact CD1-CG1 3.88Å; I560-V564 WeakPolarHBondContact O-CG2 3.48Å; I560-V564 PolarHBondContact O-N 3.18Å; R561-V564 PolarHBondContact O-N 2.68Å; R561-V564 VanDerWaalsContact O-N 3.15Å; V564-K566 VanDerWaalsContact C-N 3.32Å; V564-K566 PolarHBondContact O-N 3.04Å; V564-Q567 WeakPolarHBondContact O-CB 3.12Å; V564-Q567 PolarHBondContact O-N 2.88Å; V564-L568 HydrophobicContact CG1-CD1 4.21Å; V564-L568 HydrophobicContact CG1-CG 4.38Å; V564-L568 WeakPolarHBondContact O-CG 3.4Å; V564-L568 PolarHBondContact O-N 2.89Å; V564-T585 HydrophobicContact CG1-CG2 4.38Å; V564-T585 HydrophobicContact CG2-CG2 3.65Å
565E95.6Very high96.8Very high8 Ų845.7 Ų45.74%0.03725%0.248CC..Hα-helixtrans-62.6-37.7179.1-72.4-174.4-158.800112.5I508 G509 T510 R561 S562 Q567 L568 N569I508-E565 WeakPolarHBondContact CA-OE2 3.23Å; G509-E565 VanDerWaalsContact N-CD 3.3Å; G509-E565 PolarHBondContact N-OE1 3.12Å; G509-E565 PolarHBondContact N-OE2 3.19Å; T510-E565 WeakPolarHBondContact CG2-OE2 3.42Å; T510-E565 PolarHBondContact N-OE2 3.29Å; T510-E565 PolarHBondContact OG1-OE2 3.16Å; R561-E565 IonicContact CZ-OE1 3.57Å; R561-E565 IonicContact NE-OE1 2.81Å; R561-E565 PolarHBondContact NE-OE1 2.85Å; R561-E565 IonicContact NH2-OE1 2.86Å; R561-E565 PolarHBondContact NH2-OE1 3.18Å; R561-E565 PolarHBondContact O-N 3.28Å; S562-E565 PolarHBondContact O-N 3.05Å; E565-Q567 VanDerWaalsContact C-N 3.35Å; E565-Q567 PolarHBondContact O-N 3.28Å; E565-L568 PolarHBondContact O-N 3.03Å; E565-N569 PolarHBondContact O-N 3.35Å
566K96.5Very high96.8Very high136 Ų13646.7 Ų46.759%0.59126%0.256SS*.Hα-helixtrans-62-41.1171.4-72.3171.5-174.1174.90112.4S562 A563 V564 N569 L570S562-K566 VanDerWaalsContact O-CG 3.3Å; S562-K566 WeakPolarHBondContact O-CG 3.25Å; S562-K566 PolarHBondContact O-N 3.46Å; A563-K566 PolarHBondContact O-N 3.09Å; V564-K566 VanDerWaalsContact C-N 3.32Å; V564-K566 PolarHBondContact O-N 3.04Å; K566-N569 PolarHBondContact O-N 3.29Å; K566-L570 WeakPolarHBondContact O-CG 3.34Å; K566-L570 PolarHBondContact O-N 3.23Å
567Q97.1Very high96.8Very high81 Ų8150.3 Ų50.338%0.37928%0.275SS..Hα-helixtrans-66.1-39.9176.3-69.5-66.1-26.800111.8A563 V564 E565 N569 L570 I571 V581A563-Q567 VanDerWaalsContact O-CG 3.32Å; A563-Q567 WeakPolarHBondContact O-CG 3.44Å; A563-Q567 PolarHBondContact O-N 2.78Å; V564-Q567 WeakPolarHBondContact O-CB 3.12Å; V564-Q567 PolarHBondContact O-N 2.88Å; E565-Q567 VanDerWaalsContact C-N 3.35Å; E565-Q567 PolarHBondContact O-N 3.28Å; Q567-N569 VanDerWaalsContact C-N 3.3Å; Q567-N569 PolarHBondContact O-N 3.34Å; Q567-L570 WeakPolarHBondContact O-CB 3.44Å; Q567-L570 PolarHBondContact O-N 2.85Å; Q567-L570 VanDerWaalsContact O-N 3.1Å; Q567-I571 WeakPolarHBondContact O-CG1 3.37Å; Q567-I571 PolarHBondContact O-N 3.19Å; Q567-V581 HydrophobicContact CB-CG1 3.82Å; Q567-V581 HydrophobicContact CB-CG2 4.29Å
568L96.5Very high96.8Very high12 Ų1249.4 Ų49.46%0.06327%0.267CS..Hα-helixtrans-60-41.8173-65.3173.5000111.2S177 A180 R181 L184 V564 E565 L570 I571 A572S177-L568 VanDerWaalsContact CB-O 3.31Å; S177-L568 WeakPolarHBondContact CB-O 3.44Å; A180-L568 HydrophobicContact CB-CD2 3.55Å; R181-L568 HydrophobicContact CB-CD1 3.83Å; R181-L568 HydrophobicContact CG-CD1 3.96Å; L184-L568 HydrophobicContact CD1-CD2 4.39Å; V564-L568 HydrophobicContact CG1-CD1 4.21Å; V564-L568 HydrophobicContact CG1-CG 4.38Å; V564-L568 WeakPolarHBondContact O-CG 3.4Å; V564-L568 PolarHBondContact O-N 2.89Å; E565-L568 PolarHBondContact O-N 3.03Å; L568-L570 VanDerWaalsContact C-N 3.3Å; L568-L570 PolarHBondContact O-N 3.46Å; L568-I571 HydrophobicContact CD2-CD1 4.11Å; L568-I571 WeakPolarHBondContact O-CB 3.42Å; L568-I571 PolarHBondContact O-N 3.3Å; L568-I571 VanDerWaalsContact O-N 3.14Å; L568-A572 PolarHBondContact O-N 3.32Å
569N95.3Very high96.8Very high61 Ų6158.2 Ų58.233%0.32630%0.299SS..Hα-helixtrans-66.3-31.2174.9-162.448.6000112.9K120 E565 K566 Q567 A572 Q573K120-N569 PolarHBondContact NZ-OD1 3.35Å; E565-N569 PolarHBondContact O-N 3.35Å; K566-N569 PolarHBondContact O-N 3.29Å; Q567-N569 VanDerWaalsContact C-N 3.3Å; Q567-N569 PolarHBondContact O-N 3.34Å; N569-A572 WeakPolarHBondContact O-CB 3.43Å; N569-A572 PolarHBondContact O-N 3.04Å; N569-Q573 PolarHBondContact ND2-NE2 3.35Å; N569-Q573 WeakPolarHBondContact O-CG 3.33Å; N569-Q573 PolarHBondContact O-N 2.98Å
570L97.6Very high96.8Very high55 Ų5560.2 Ų60.229%0.28830%0.302SS..Hα-helixtrans-69.5-32.8172.1-68.6174.9000112.3K566 Q567 L568 Q573 G574 K575 A576K566-L570 WeakPolarHBondContact O-CG 3.34Å; K566-L570 PolarHBondContact O-N 3.23Å; Q567-L570 WeakPolarHBondContact O-CB 3.44Å; Q567-L570 PolarHBondContact O-N 2.85Å; Q567-L570 VanDerWaalsContact O-N 3.1Å; L568-L570 VanDerWaalsContact C-N 3.3Å; L568-L570 PolarHBondContact O-N 3.46Å; L570-Q573 PolarHBondContact O-N 3.27Å; L570-G574 PolarHBondContact O-N 3.31Å; L570-K575 HydrophobicContact CB-CB 4.34Å; L570-K575 HydrophobicContact CD2-CB 3.98Å; L570-K575 HydrophobicContact CD2-CD 4.08Å; L570-K575 WeakPolarHBondContact O-CA 3.46Å; L570-K575 PolarHBondContact O-N 2.97Å; L570-A576 HydrophobicContact CB-CB 3.66Å; L570-A576 PolarHBondContact O-N 3.04Å; L570-A576 VanDerWaalsContact O-N 3.15Å
571I97.8Very high96.9Very high2 Ų258.9 Ų58.91%0.0130%0.296CS..Hα-helixtrans-61.3-50.6169.9-61.4167.7000109N173 L176 A180 Q567 L568 Q573 G574 A576 V581N173-I571 WeakPolarHBondContact CB-O 3.36Å; L176-I571 HydrophobicContact CB-CG2 4.09Å; A180-I571 HydrophobicContact CB-CD1 4.11Å; Q567-I571 WeakPolarHBondContact O-CG1 3.37Å; Q567-I571 PolarHBondContact O-N 3.19Å; L568-I571 HydrophobicContact CD2-CD1 4.11Å; L568-I571 WeakPolarHBondContact O-CB 3.42Å; L568-I571 PolarHBondContact O-N 3.3Å; L568-I571 VanDerWaalsContact O-N 3.14Å; I571-Q573 PolarHBondContact O-N 3.48Å; I571-G574 PolarHBondContact O-N 3.4Å; I571-A576 HydrophobicContact CG1-CB 4.29Å; I571-V581 HydrophobicContact CD1-CB 3.87Å; I571-V581 HydrophobicContact CD1-CG1 4.01Å; I571-V581 HydrophobicContact CD1-CG2 4.02Å; I571-V581 HydrophobicContact CG1-CB 4.42Å; I571-V581 HydrophobicContact CG1-CG2 4.01Å
572A95.5Very high96.9Very high5 Ų559.4 Ų59.44%0.04130%0.299CS..Hα-helixtrans-53.8-39.7178.400000112.6N173 E174 L568 N569 G574N173-A572 WeakPolarHBondContact CB-O 3.43Å; E174-A572 HydrophobicContact CG-CB 4.04Å; L568-A572 PolarHBondContact O-N 3.32Å; N569-A572 WeakPolarHBondContact O-CB 3.43Å; N569-A572 PolarHBondContact O-N 3.04Å; A572-G574 VanDerWaalsContact C-N 3.27Å; A572-G574 PolarHBondContact O-N 3.48Å
573Q95.5Very high96.9Very high93 Ų9360.4 Ų60.444%0.43531%0.311SS..THydrogen-bonded Turntrans-79.3-0.6177.4-66.417612.400114.7N569 L570 I571 K575N569-Q573 PolarHBondContact ND2-NE2 3.35Å; N569-Q573 WeakPolarHBondContact O-CG 3.33Å; N569-Q573 PolarHBondContact O-N 2.98Å; L570-Q573 PolarHBondContact O-N 3.27Å; I571-Q573 PolarHBondContact O-N 3.48Å; Q573-K575 VanDerWaalsContact C-N 3.25Å; Q573-K575 HydrophobicContact CB-CD 4.09Å; Q573-K575 HydrophobicContact CB-CG 4.08Å; Q573-K575 PolarHBondContact O-N 3Å
574G96.4Very high96.9Very high45 Ų4564 Ų6446%0.46432%0.319SS..THydrogen-bonded Turntrans68.120.7-17400000114.3L570 I571 A572L570-G574 PolarHBondContact O-N 3.31Å; I571-G574 PolarHBondContact O-N 3.4Å; A572-G574 VanDerWaalsContact C-N 3.27Å; A572-G574 PolarHBondContact O-N 3.48Å
575K97.8Very high97Very high150 Ų15063.9 Ų63.965%0.65232%0.318SS*.SBendtrans-101.2-7.5-177.9-66.2178.4-172.6162.20113.7L570 Q573L570-K575 HydrophobicContact CB-CB 4.34Å; L570-K575 HydrophobicContact CD2-CB 3.98Å; L570-K575 HydrophobicContact CD2-CD 4.08Å; L570-K575 WeakPolarHBondContact O-CA 3.46Å; L570-K575 PolarHBondContact O-N 2.97Å; Q573-K575 VanDerWaalsContact C-N 3.25Å; Q573-K575 HydrophobicContact CB-CD 4.09Å; Q573-K575 HydrophobicContact CB-CG 4.08Å; Q573-K575 PolarHBondContact O-N 3Å
576A97.7Very high97.1Very high25 Ų2564.1 Ų64.121%0.20732%0.319CS..SBendtrans-138.3147.9174.200000110.6L570 I571 V581L570-A576 HydrophobicContact CB-CB 3.66Å; L570-A576 PolarHBondContact O-N 3.04Å; L570-A576 VanDerWaalsContact O-N 3.15Å; I571-A576 HydrophobicContact CG1-CB 4.29Å; A576-V581 HydrophobicContact CB-CG2 4Å
577D98Very high97.2Very high86 Ų8661.4 Ų61.446%0.4631%0.311SS..  trans-82.3130.6178.6175.1-98.3000111.9R579 Q580 V581D577-R579 PolarHBondContact O-N 3.1Å; D577-R579 WeakPolarHBondContact OD1-CA 3.45Å; D577-R579 WeakPolarHBondContact OD1-CB 3.34Å; D577-R579 PolarHBondContact OD1-N 3.27Å; D577-Q580 HydrophobicContact CB-CB 4.01Å; D577-Q580 PolarHBondContact O-N 3.25Å; D577-Q580 PolarHBondContact OD1-N 3.27Å; D577-V581 WeakPolarHBondContact O-CG2 3.26Å; D577-V581 PolarHBondContact O-N 3.44Å
578Y97.3Very high97.2Very high49 Ų4959.7 Ų59.719%0.19231%0.306CS..Hα-helixtrans-53.9-48.3-179.7162.2-99.6000113.2L176 D179 A180 E183 L582L176-Y578 HydrophobicContact CB-CD2 4.08Å; L176-Y578 HydrophobicContact CB-CG 4.36Å; L176-Y578 HydrophobicContact CD2-CD1 4.33Å; L176-Y578 HydrophobicContact CD2-CD2 4.23Å; L176-Y578 HydrophobicContact CD2-CE2 4.5Å; L176-Y578 HydrophobicContact CD2-CG 4.16Å; L176-Y578 WeakPolarHBondContact O-CD2 3.16Å; D179-Y578 HydrophobicContact CB-CE2 4.34Å; A180-Y578 HydrophobicContact CB-CD2 3.78Å; A180-Y578 HydrophobicContact CB-CE2 3.67Å; E183-Y578 PolarHBondContact OE2-OH 3.27Å; Y578-L582 WeakPolarHBondContact O-CB 3.28Å; Y578-L582 PolarHBondContact O-N 3.46Å; Y578-L582 VanDerWaalsContact O-N 3.1Å
579R97.1Very high97.3Very high196 Ų19659.7 Ų59.774%0.7431%0.306SS*.Hα-helixtrans-71.6-37.1-175-62.4-176.2177.7177.7-0.1111.3D577 G583D577-R579 PolarHBondContact O-N 3.1Å; D577-R579 WeakPolarHBondContact OD1-CA 3.45Å; D577-R579 WeakPolarHBondContact OD1-CB 3.34Å; D577-R579 PolarHBondContact OD1-N 3.27Å; R579-G583 PolarHBondContact O-N 3.48Å
580Q97.7Very high97.4Very high141 Ų14159.4 Ų59.466%0.65930%0.301SS*.Hα-helixtrans-65.1-47.1177.9-172.5178.71.200111.6D577 H584D577-Q580 HydrophobicContact CB-CB 4.01Å; D577-Q580 PolarHBondContact O-N 3.25Å; D577-Q580 PolarHBondContact OD1-N 3.27Å; Q580-H584 VanDerWaalsContact O-CB 3.26Å; Q580-H584 WeakPolarHBondContact O-CB 3.34Å; Q580-H584 PolarHBondContact O-N 2.72Å
581V97.7Very high97.4Very high9 Ų965.6 Ų65.66%0.05532%0.321CS..Hα-helixtrans-62.4-45.2177.7175.10000110.9Q567 I571 A576 D577 T585Q567-V581 HydrophobicContact CB-CG1 3.82Å; Q567-V581 HydrophobicContact CB-CG2 4.29Å; I571-V581 HydrophobicContact CD1-CB 3.87Å; I571-V581 HydrophobicContact CD1-CG1 4.01Å; I571-V581 HydrophobicContact CD1-CG2 4.02Å; I571-V581 HydrophobicContact CG1-CB 4.42Å; I571-V581 HydrophobicContact CG1-CG2 4.01Å; A576-V581 HydrophobicContact CB-CG2 4Å; D577-V581 WeakPolarHBondContact O-CG2 3.26Å; D577-V581 PolarHBondContact O-N 3.44Å; V581-T585 VanDerWaalsContact O-CB 3.31Å; V581-T585 WeakPolarHBondContact O-CB 3.45Å; V581-T585 PolarHBondContact O-N 2.99Å; V581-T585 PolarHBondContact O-OG1 3.18Å
582L96.8Very high97.5Very high19 Ų1966.9 Ų66.910%0.09933%0.326CS..Hα-helixtrans-60.5-52.5178.5-175.168.7000111.3E183 L184 Y578 T585 L586E183-L582 HydrophobicContact CB-CD1 4.11Å; E183-L582 HydrophobicContact CG-CD1 4.02Å; L184-L582 HydrophobicContact CD2-CD1 3.75Å; L184-L582 HydrophobicContact CG-CD1 3.87Å; Y578-L582 WeakPolarHBondContact O-CB 3.28Å; Y578-L582 PolarHBondContact O-N 3.46Å; Y578-L582 VanDerWaalsContact O-N 3.1Å; L582-T585 PolarHBondContact O-N 3.14Å; L582-L586 HydrophobicContact CD1-CD1 3.94Å; L582-L586 HydrophobicContact CD1-CG 4.4Å; L582-L586 HydrophobicContact CG-CD1 3.88Å; L582-L586 WeakPolarHBondContact O-CB 3.01Å; L582-L586 VanDerWaalsContact O-CG 3.28Å; L582-L586 WeakPolarHBondContact O-CG 3.43Å; L582-L586 PolarHBondContact O-N 3.37Å
583G97.6Very high97.6Very high32 Ų3266.8 Ų66.833%0.3333%0.325SS..Hα-helixtrans-60.6-48.2-179.500000112.8R579 T585 L586 D587R579-G583 PolarHBondContact O-N 3.48Å; G583-T585 PolarHBondContact O-N 2.9Å; G583-L586 PolarHBondContact O-N 2.88Å; G583-D587 WeakPolarHBondContact O-CB 3.42Å; G583-D587 PolarHBondContact O-N 2.69Å
584H97.8Very high97.7Very high127 Ų12766.4 Ų66.459%0.58832%0.323SS*.Hα-helixtrans-60-46.9178.5174.7-111.3000112.1Q580 D587 V588Q580-H584 VanDerWaalsContact O-CB 3.26Å; Q580-H584 WeakPolarHBondContact O-CB 3.34Å; Q580-H584 PolarHBondContact O-N 2.72Å; H584-D587 PolarHBondContact O-N 2.94Å; H584-V588 WeakPolarHBondContact O-CG2 3.22Å; H584-V588 PolarHBondContact O-N 3.3Å; H584-V588 VanDerWaalsContact O-N 3.08Å
585T97.5Very high97.8Very high9 Ų970.1 Ų70.16%0.05532%0.324CS..Hα-helixtrans-66.8-43.6-177.8-52.80000111.1L184 V564 V581 L582 G583 D587 V588 F589L184-T585 HydrophobicContact CD1-CG2 4.04Å; L184-T585 HydrophobicContact CD2-CG2 3.71Å; L184-T585 HydrophobicContact CG-CG2 4.5Å; V564-T585 HydrophobicContact CG1-CG2 4.38Å; V564-T585 HydrophobicContact CG2-CG2 3.65Å; V581-T585 VanDerWaalsContact O-CB 3.31Å; V581-T585 WeakPolarHBondContact O-CB 3.45Å; V581-T585 PolarHBondContact O-N 2.99Å; V581-T585 PolarHBondContact O-OG1 3.18Å; L582-T585 PolarHBondContact O-N 3.14Å; G583-T585 PolarHBondContact O-N 2.9Å; T585-D587 VanDerWaalsContact C-N 3.34Å; T585-D587 PolarHBondContact O-N 3.42Å; T585-V588 PolarHBondContact O-N 2.93Å; T585-F589 HydrophobicContact CG2-CD2 3.89Å; T585-F589 HydrophobicContact CG2-CE2 4.01Å; T585-F589 WeakPolarHBondContact O-CD2 3.42Å; T585-F589 PolarHBondContact O-N 3.34Å
586L97.9Very high97.9Very high13 Ų1363 Ų637%0.06829%0.293CS..Hα-helixtrans-63.5-38.4176.6-70.3172.7000112.2F82 L184 R187 I188 L582 G583 F589 K590F82-L586 HydrophobicContact CD1-CD2 4.26Å; L184-L586 HydrophobicContact CD2-CD2 3.87Å; L184-L586 HydrophobicContact CD2-CG 3.84Å; R187-L586 HydrophobicContact CB-CD2 3.86Å; R187-L586 HydrophobicContact CG-CD2 4.4Å; I188-L586 HydrophobicContact CG1-CD2 4.4Å; L582-L586 HydrophobicContact CD1-CD1 3.94Å; L582-L586 HydrophobicContact CD1-CG 4.4Å; L582-L586 HydrophobicContact CG-CD1 3.88Å; L582-L586 WeakPolarHBondContact O-CB 3.01Å; L582-L586 VanDerWaalsContact O-CG 3.28Å; L582-L586 WeakPolarHBondContact O-CG 3.43Å; L582-L586 PolarHBondContact O-N 3.37Å; G583-L586 PolarHBondContact O-N 2.88Å; L586-F589 PolarHBondContact O-N 3.18Å; L586-K590 WeakPolarHBondContact O-CB 3.21Å; L586-K590 PolarHBondContact O-N 3.17Å
587D97.9Very high97.9Very high80 Ų8063.7 Ų63.743%0.42830%0.295SS..Hα-helixtrans-63.8-42.1175.9-81-18.5000112.4G583 H584 T585 R591G583-D587 WeakPolarHBondContact O-CB 3.42Å; G583-D587 PolarHBondContact O-N 2.69Å; H584-D587 PolarHBondContact O-N 2.94Å; T585-D587 VanDerWaalsContact C-N 3.34Å; T585-D587 PolarHBondContact O-N 3.42Å; D587-R591 WeakPolarHBondContact O-CG 3.22Å; D587-R591 PolarHBondContact O-N 3.14Å; D587-R591 VanDerWaalsContact O-N 3.13Å
588V97.9Very high97.8Very high44 Ų4466.1 Ų66.127%0.26731%0.308SS..Hα-helixtrans-60.5-52.4175.1170.40000110.4H584 T585 K590 R591 K592H584-V588 WeakPolarHBondContact O-CG2 3.22Å; H584-V588 PolarHBondContact O-N 3.3Å; H584-V588 VanDerWaalsContact O-N 3.08Å; T585-V588 PolarHBondContact O-N 2.93Å; V588-K590 VanDerWaalsContact C-N 3.34Å; V588-K590 PolarHBondContact O-N 2.96Å; V588-R591 PolarHBondContact O-N 2.94Å; V588-K592 PolarHBondContact O-N 3.04Å
589F98.1Very high97.8Very high12 Ų1265.4 Ų65.45%0.05331%0.31CS..Hα-helixtrans-69.1-29.9-178.3-85.3-83.7000113.3F82 I188 F192 P216 L555 I560 T585 L586 K592 F593F82-F589 HydrophobicContact CE1-CB 3.91Å; I188-F589 HydrophobicContact CD1-CB 4.05Å; I188-F589 HydrophobicContact CD1-CD1 4.11Å; I188-F589 HydrophobicContact CD1-CD2 3.46Å; I188-F589 VanDerWaalsContact CD1-CD2 3.46Å; I188-F589 HydrophobicContact CD1-CE1 4.43Å; I188-F589 HydrophobicContact CD1-CE2 3.84Å; I188-F589 HydrophobicContact CD1-CG 3.6Å; I188-F589 HydrophobicContact CD1-CZ 4.31Å; I188-F589 HydrophobicContact CG1-CB 3.93Å; I188-F589 HydrophobicContact CG1-CD1 4.34Å; I188-F589 HydrophobicContact CG1-CD2 4.29Å; I188-F589 HydrophobicContact CG1-CG 3.94Å; I188-F589 HydrophobicContact CG2-CB 4.47Å; I188-F589 HydrophobicContact CG2-CD1 3.63Å; I188-F589 HydrophobicContact CG2-CE1 4.02Å; I188-F589 HydrophobicContact CG2-CG 4.1Å; F192-F589 HydrophobicContact CE2-CD1 4.38Å; P216-F589 HydrophobicContact CB-CZ 4.48Å; L555-F589 HydrophobicContact CD2-CE1 4.49Å; I560-F589 HydrophobicContact CG2-CE2 3.7Å; I560-F589 HydrophobicContact CG2-CZ 3.59Å; T585-F589 HydrophobicContact CG2-CD2 3.89Å; T585-F589 HydrophobicContact CG2-CE2 4.01Å; T585-F589 WeakPolarHBondContact O-CD2 3.42Å; T585-F589 PolarHBondContact O-N 3.34Å; L586-F589 PolarHBondContact O-N 3.18Å; F589-K592 PolarHBondContact O-N 2.94Å; F589-F593 VanDerWaalsContact O-CB 3.26Å; F589-F593 WeakPolarHBondContact O-CB 3.24Å; F589-F593 PolarHBondContact O-N 3.32Å
590K98.2Very high97.8Very high55 Ų5556.9 Ų56.924%0.23928%0.279CS..Hα-helixtrans-65.1-42.1173.6-176.5178.9-174.7176.10111.7F82 S83 L586 V588 F593 H594F82-K590 HydrophobicContact CB-CB 4.19Å; F82-K590 HydrophobicContact CB-CD 4.07Å; F82-K590 HydrophobicContact CB-CG 4.18Å; F82-K590 HydrophobicContact CD1-CB 3.99Å; F82-K590 HydrophobicContact CD2-CB 4.33Å; F82-K590 HydrophobicContact CD2-CG 4.24Å; F82-K590 HydrophobicContact CE1-CB 4.49Å; F82-K590 HydrophobicContact CG-CB 3.91Å; F82-K590 HydrophobicContact CG-CG 4.13Å; S83-K590 PolarHBondContact OG-NZ 3.39Å; L586-K590 WeakPolarHBondContact O-CB 3.21Å; L586-K590 PolarHBondContact O-N 3.17Å; V588-K590 VanDerWaalsContact C-N 3.34Å; V588-K590 PolarHBondContact O-N 2.96Å; K590-F593 WeakPolarHBondContact O-CB 3.41Å; K590-F593 PolarHBondContact O-N 2.9Å; K590-H594 PolarHBondContact O-CD2 3.45Å; K590-H594 PolarHBondContact O-N 3.45Å
591R98.3Very high97.4Very high186 Ų18652.6 Ų52.670%0.70227%0.268SS*.Hα-helixtrans-63.6-45.2174.2-69.5172.8-169.8179.45.9111.2D587 V588 F593 H594 Y595D587-R591 WeakPolarHBondContact O-CG 3.22Å; D587-R591 PolarHBondContact O-N 3.14Å; D587-R591 VanDerWaalsContact O-N 3.13Å; V588-R591 PolarHBondContact O-N 2.94Å; R591-F593 VanDerWaalsContact C-N 3.29Å; R591-F593 PolarHBondContact O-N 3.25Å; R591-H594 PolarHBondContact O-N 2.85Å; R591-Y595 PolarHBondContact O-N 3.09Å; R591-Y595 VanDerWaalsContact O-N 3.07Å
592K98.2Very high96.8Very high28 Ų2852.7 Ų52.712%0.12227%0.271CS..Hα-helixtrans-61-38.5174.4-71.4-173.1172.2-63.50112.2D552 E554 L555 V588 F589 Y595 F596D552-K592 IonicContact OD1-NZ 2.68Å; D552-K592 PolarHBondContact OD1-NZ 3.44Å; D552-K592 WeakPolarHBondContact OD2-CD 3.18Å; D552-K592 IonicContact OD2-NZ 3.26Å; D552-K592 PolarHBondContact OD2-NZ 2.79Å; E554-K592 WeakPolarHBondContact OE2-CE 3.45Å; E554-K592 IonicContact OE2-NZ 3.83Å; E554-K592 PolarHBondContact OE2-NZ 2.98Å; L555-K592 HydrophobicContact CD2-CD 4.21Å; V588-K592 PolarHBondContact O-N 3.04Å; F589-K592 PolarHBondContact O-N 2.94Å; K592-Y595 PolarHBondContact O-N 3.14Å; K592-F596 VanDerWaalsContact O-CB 3.24Å; K592-F596 WeakPolarHBondContact O-CB 3.35Å; K592-F596 PolarHBondContact O-N 2.66Å
593F98.4Very high96.5Very high3 Ų351.8 Ų51.81%0.01327%0.266CS..Hα-helixtrans-63.5-48.3176.8177.9-96.8000111.9P78 A79 F82 A191 F192 F195 F589 K590 R591 Y595 F596 V597P78-F593 HydrophobicContact CB-CZ 3.93Å; A79-F593 HydrophobicContact CB-CD1 4.39Å; A79-F593 HydrophobicContact CB-CE1 3.9Å; F82-F593 HydrophobicContact CE2-CB 3.63Å; F82-F593 AromaticContact CE2-CD1 3.73Å; F82-F593 HydrophobicContact CE2-CD1 3.73Å; F82-F593 AromaticContact CE2-CD2 3.99Å; F82-F593 HydrophobicContact CE2-CD2 3.99Å; F82-F593 HydrophobicContact CE2-CE1 4.43Å; F82-F593 AromaticContact CE2-CG 3.48Å; F82-F593 HydrophobicContact CE2-CG 3.48Å; F82-F593 VanDerWaalsContact CE2-CG 3.48Å; F82-F593 HydrophobicContact CZ-CB 3.6Å; F82-F593 HydrophobicContact CZ-CD2 4.18Å; F82-F593 AromaticContact CZ-CG 3.85Å; F82-F593 HydrophobicContact CZ-CG 3.85Å; A191-F593 HydrophobicContact CB-CD2 4.36Å; A191-F593 HydrophobicContact CB-CE2 4.27Å; A191-F593 WeakPolarHBondContact O-CE2 3.46Å; F192-F593 HydrophobicContact CD1-CD2 4.09Å; F192-F593 AromaticContact CD2-CD2 3.86Å; F192-F593 HydrophobicContact CD2-CD2 3.86Å; F192-F593 HydrophobicContact CE1-CB 4.49Å; F192-F593 HydrophobicContact CE1-CD2 4.1Å; F192-F593 HydrophobicContact CE2-CB 3.85Å; F192-F593 AromaticContact CE2-CD2 3.89Å; F192-F593 HydrophobicContact CE2-CD2 3.89Å; F192-F593 HydrophobicContact CE2-CG 4.36Å; F192-F593 AromaticContact CG-CD2 3.97Å; F192-F593 HydrophobicContact CG-CD2 3.97Å; F192-F593 HydrophobicContact CZ-CB 3.77Å; F192-F593 HydrophobicContact CZ-CD2 4.01Å; F192-F593 HydrophobicContact CZ-CG 4.41Å; F195-F593 HydrophobicContact CB-CE2 3.89Å; F195-F593 HydrophobicContact CB-CZ 3.93Å; F195-F593 HydrophobicContact CD2-CZ 4.41Å; F195-F593 HydrophobicContact CG-CE2 4.26Å; F195-F593 HydrophobicContact CG-CZ 4.17Å; F589-F593 VanDerWaalsContact O-CB 3.26Å; F589-F593 WeakPolarHBondContact O-CB 3.24Å; F589-F593 PolarHBondContact O-N 3.32Å; K590-F593 WeakPolarHBondContact O-CB 3.41Å; K590-F593 PolarHBondContact O-N 2.9Å; R591-F593 VanDerWaalsContact C-N 3.29Å; R591-F593 PolarHBondContact O-N 3.25Å; F593-Y595 VanDerWaalsContact C-N 3.34Å; F593-Y595 PolarHBondContact O-N 2.88Å; F593-F596 WeakPolarHBondContact O-CB 3.39Å; F593-F596 PolarHBondContact O-N 3.02Å; F593-F596 VanDerWaalsContact O-N 3.16Å; F593-V597 HydrophobicContact CD1-CG2 4.24Å; F593-V597 HydrophobicContact CE1-CG2 3.75Å; F593-V597 HydrophobicContact CE2-CG2 4.13Å; F593-V597 HydrophobicContact CZ-CG2 3.68Å; F593-V597 WeakPolarHBondContact O-CG2 3.28Å; F593-V597 PolarHBondContact O-N 3.27Å
594H98.3Very high96.2Very high85 Ų8551.5 Ų51.539%0.39426%0.257SS..Hα-helixtrans-59.1-45.9175.9-74.8-60.8000111.9K590 R591 F596 V597 D598K590-H594 PolarHBondContact O-CD2 3.45Å; K590-H594 PolarHBondContact O-N 3.45Å; R591-H594 PolarHBondContact O-N 2.85Å; H594-F596 VanDerWaalsContact C-N 3.3Å; H594-F596 PolarHBondContact O-N 3.02Å; H594-V597 PolarHBondContact O-N 3.42Å; H594-D598 PolarHBondContact O-N 2.69Å
595Y98.3Very high95.6Very high123 Ų12350.2 Ų50.248%0.48225%0.251SS..Hα-helixtrans-61.8-38175.6179.1-101.6000112.9I551 D552 R591 K592 F593 D598 S599I551-Y595 HydrophobicContact CG2-CD1 4.26Å; I551-Y595 HydrophobicContact CG2-CE1 4.06Å; I551-Y595 WeakPolarHBondContact O-CE1 3.45Å; D552-Y595 HydrophobicContact CB-CE1 4.48Å; R591-Y595 PolarHBondContact O-N 3.09Å; R591-Y595 VanDerWaalsContact O-N 3.07Å; K592-Y595 PolarHBondContact O-N 3.14Å; F593-Y595 VanDerWaalsContact C-N 3.34Å; F593-Y595 PolarHBondContact O-N 2.88Å; Y595-D598 PolarHBondContact O-N 3.16Å; Y595-S599 VanDerWaalsContact O-CB 3.27Å; Y595-S599 WeakPolarHBondContact O-CB 3.28Å; Y595-S599 PolarHBondContact O-N 3.11Å; Y595-S599 PolarHBondContact O-OG 2.86Å
596F98.4Very high95.1Very high0 Ų052.1 Ų52.10%026%0.261CS..Hα-helixtrans-63-43.2175.2174-95.5000112F192 F195 Q196 Y548 I551 L555 K592 F593 H594 S599 I600F192-F596 AromaticContact CD1-CD1 3.93Å; F192-F596 HydrophobicContact CD1-CD1 3.93Å; F192-F596 HydrophobicContact CD1-CE1 4.19Å; F192-F596 HydrophobicContact CD1-CG 4.19Å; F192-F596 HydrophobicContact CE1-CB 3.9Å; F192-F596 AromaticContact CE1-CD1 3.95Å; F192-F596 HydrophobicContact CE1-CD1 3.95Å; F192-F596 HydrophobicContact CE1-CD2 4.34Å; F192-F596 AromaticContact CE1-CG 3.79Å; F192-F596 HydrophobicContact CE1-CG 3.79Å; F195-F596 HydrophobicContact CD1-CD1 4.24Å; F195-F596 AromaticContact CD1-CE1 3.78Å; F195-F596 HydrophobicContact CD1-CE1 3.78Å; F195-F596 HydrophobicContact CE1-CD1 4.21Å; F195-F596 AromaticContact CE1-CE1 3.82Å; F195-F596 HydrophobicContact CE1-CE1 3.82Å; Q196-F596 HydrophobicContact CG-CE1 3.93Å; Q196-F596 HydrophobicContact CG-CZ 3.97Å; Y548-F596 HydrophobicContact CD1-CD2 4.31Å; Y548-F596 AromaticContact CD1-CE2 3.56Å; Y548-F596 HydrophobicContact CD1-CE2 3.56Å; Y548-F596 HydrophobicContact CD1-CZ 4.2Å; Y548-F596 AromaticContact CE1-CE2 3.65Å; Y548-F596 HydrophobicContact CE1-CE2 3.65Å; Y548-F596 AromaticContact CE1-CZ 3.79Å; Y548-F596 HydrophobicContact CE1-CZ 3.79Å; I551-F596 HydrophobicContact CB-CD2 4.46Å; I551-F596 HydrophobicContact CD1-CD2 3.76Å; I551-F596 HydrophobicContact CD1-CE2 3.63Å; I551-F596 HydrophobicContact CG2-CB 4.46Å; I551-F596 HydrophobicContact CG2-CD2 3.97Å; L555-F596 HydrophobicContact CD1-CD2 4.12Å; K592-F596 VanDerWaalsContact O-CB 3.24Å; K592-F596 WeakPolarHBondContact O-CB 3.35Å; K592-F596 PolarHBondContact O-N 2.66Å; F593-F596 WeakPolarHBondContact O-CB 3.39Å; F593-F596 PolarHBondContact O-N 3.02Å; F593-F596 VanDerWaalsContact O-N 3.16Å; H594-F596 VanDerWaalsContact C-N 3.3Å; H594-F596 PolarHBondContact O-N 3.02Å; F596-S599 CarbonylContact O-C 3.22Å; F596-S599 PolarHBondContact O-N 3.33Å; F596-I600 HydrophobicContact CE1-CD1 3.85Å; F596-I600 HydrophobicContact CE2-CD1 4.46Å; F596-I600 HydrophobicContact CZ-CD1 3.75Å; F596-I600 WeakPolarHBondContact O-CA 3.47Å; F596-I600 PolarHBondContact O-N 3.44Å
597V97.9Very high94.5Very high41 Ų4151.5 Ų51.525%0.24826%0.257CS..Hα-helixtrans-63.3-46.3175.8172.90000110.9F195 F593 H594 S599 I600F195-V597 HydrophobicContact CD1-CG2 4.22Å; F195-V597 HydrophobicContact CD2-CG2 3.92Å; F195-V597 HydrophobicContact CE1-CG2 3.99Å; F195-V597 HydrophobicContact CE2-CB 4.25Å; F195-V597 HydrophobicContact CE2-CG1 3.75Å; F195-V597 HydrophobicContact CE2-CG2 3.69Å; F195-V597 HydrophobicContact CG-CG2 4.18Å; F195-V597 HydrophobicContact CZ-CB 4.08Å; F195-V597 HydrophobicContact CZ-CG1 3.83Å; F195-V597 HydrophobicContact CZ-CG2 3.73Å; F593-V597 HydrophobicContact CD1-CG2 4.24Å; F593-V597 HydrophobicContact CE1-CG2 3.75Å; F593-V597 HydrophobicContact CE2-CG2 4.13Å; F593-V597 HydrophobicContact CZ-CG2 3.68Å; F593-V597 WeakPolarHBondContact O-CG2 3.28Å; F593-V597 PolarHBondContact O-N 3.27Å; H594-V597 PolarHBondContact O-N 3.42Å; V597-S599 PolarHBondContact O-N 3.35Å; V597-I600 WeakPolarHBondContact O-CB 3.42Å; V597-I600 VanDerWaalsContact O-CG2 3.3Å; V597-I600 WeakPolarHBondContact O-CG2 3.19Å; V597-I600 PolarHBondContact O-N 3.28Å
598D97.6Very high93.7Very high137 Ų13750.8 Ų50.873%0.73325%0.252SS*.Hα-helixtrans-63.2-31.9178.6-69.2-21.1000112.2H594 Y595H594-D598 PolarHBondContact O-N 2.69Å; Y595-D598 PolarHBondContact O-N 3.16Å
599S96.6Very high92.8Very high34 Ų3453.1 Ų53.124%0.23827%0.266CS..THydrogen-bonded Turntrans-101.115.3-177.3-53.20000113.6I551 Y595 F596 V597 A601 G602I551-S599 WeakPolarHBondContact CD1-O 3.47Å; I551-S599 WeakPolarHBondContact CG1-O 3.42Å; Y595-S599 VanDerWaalsContact O-CB 3.27Å; Y595-S599 WeakPolarHBondContact O-CB 3.28Å; Y595-S599 PolarHBondContact O-N 3.11Å; Y595-S599 PolarHBondContact O-OG 2.86Å; F596-S599 CarbonylContact O-C 3.22Å; F596-S599 PolarHBondContact O-N 3.33Å; V597-S599 PolarHBondContact O-N 3.35Å; S599-A601 PolarHBondContact O-N 2.85Å; S599-G602 PolarHBondContact O-N 3.34Å
600I96.4Very high91.8Very high16 Ų1655.1 Ų55.18%0.08228%0.281CS..THydrogen-bonded Turntrans-58.3-23.1-173.2-167.755.1000113.6F195 Y199 F596 V597 G602 M603 D604F195-I600 HydrophobicContact CE1-CB 4.42Å; F195-I600 HydrophobicContact CE1-CD1 3.72Å; F195-I600 HydrophobicContact CE1-CG1 3.87Å; F195-I600 HydrophobicContact CZ-CB 4.39Å; F195-I600 HydrophobicContact CZ-CD1 4.45Å; F195-I600 HydrophobicContact CZ-CG1 4.1Å; Y199-I600 HydrophobicContact CD1-CG1 3.99Å; Y199-I600 HydrophobicContact CD2-CG1 4.38Å; Y199-I600 HydrophobicContact CE1-CG1 3.75Å; Y199-I600 HydrophobicContact CE2-CG1 4.17Å; Y199-I600 HydrophobicContact CE2-CG2 3.94Å; Y199-I600 HydrophobicContact CG-CG1 4.32Å; F596-I600 HydrophobicContact CE1-CD1 3.85Å; F596-I600 HydrophobicContact CE2-CD1 4.46Å; F596-I600 HydrophobicContact CZ-CD1 3.75Å; F596-I600 WeakPolarHBondContact O-CA 3.47Å; F596-I600 PolarHBondContact O-N 3.44Å; V597-I600 WeakPolarHBondContact O-CB 3.42Å; V597-I600 VanDerWaalsContact O-CG2 3.3Å; V597-I600 WeakPolarHBondContact O-CG2 3.19Å; V597-I600 PolarHBondContact O-N 3.28Å; I600-G602 PolarHBondContact O-N 3.5Å; I600-M603 HydrophobicContact CD1-CB 4.06Å; I600-M603 HydrophobicContact CD1-CG 4.4Å; I600-M603 WeakPolarHBondContact O-CB 3.39Å; I600-M603 PolarHBondContact O-N 3.47Å; I600-M603 VanDerWaalsContact O-N 3.07Å; I600-D604 WeakPolarHBondContact O-CB 3.37Å; I600-D604 PolarHBondContact O-N 2.92Å
601A89.3Confident90.7Very high52 Ų5253.7 Ų53.743%0.4328%0.275SS..Hα-helixtrans-52.6-35.1173.500000112.8S599 M603 D604 E605S599-A601 PolarHBondContact O-N 2.85Å; A601-M603 VanDerWaalsContact C-N 3.28Å; A601-M603 PolarHBondContact O-N 3.35Å; A601-D604 PolarHBondContact O-N 3.33Å; A601-E605 WeakPolarHBondContact O-CB 3.39Å; A601-E605 VanDerWaalsContact O-CG 3.25Å; A601-E605 WeakPolarHBondContact O-CG 3.36Å; A601-E605 PolarHBondContact O-N 2.91Å
602G85.5Confident89.1Confident11 Ų1146 Ų4611%0.11325%0.249CC..Hα-helixtrans-61.2-35.9178.800000113.6S599 I600S599-G602 PolarHBondContact O-N 3.34Å; I600-G602 PolarHBondContact O-N 3.5Å
603M91.5Very high87Confident0 Ų047.2 Ų47.20%026%0.26CS..Hα-helixtrans-80.9-41.3175.2-177.976-118.800111.1F200 V543 L544 I551 I600 A601 L606 M607F200-M603 HydrophobicContact CE2-CG 4.1Å; F200-M603 HydrophobicContact CZ-CG 3.81Å; V543-M603 HydrophobicContact CG1-CE 3.48Å; V543-M603 VanDerWaalsContact CG1-CE 3.48Å; V543-M603 VanDerWaalsContact O-CE 3.25Å; V543-M603 WeakPolarHBondContact O-CE 3.39Å; L544-M603 HydrophobicContact CD2-CE 4.03Å; L544-M603 HydrophobicContact CD2-SD 4.27Å; I551-M603 HydrophobicContact CD1-CB 3.89Å; I600-M603 HydrophobicContact CD1-CB 4.06Å; I600-M603 HydrophobicContact CD1-CG 4.4Å; I600-M603 WeakPolarHBondContact O-CB 3.39Å; I600-M603 PolarHBondContact O-N 3.47Å; I600-M603 VanDerWaalsContact O-N 3.07Å; A601-M603 VanDerWaalsContact C-N 3.28Å; A601-M603 PolarHBondContact O-N 3.35Å; M603-L606 PolarHBondContact O-N 2.94Å; M603-M607 HydrophobicContact CE-CE 3.4Å; M603-M607 HydrophobicContact CE-CG 3.57Å; M603-M607 HydrophobicContact CE-SD 4.09Å; M603-M607 WeakPolarHBondContact O-CG 3.32Å; M603-M607 PolarHBondContact O-N 3.49Å
604D89.9Confident84.7Confident26 Ų2648.1 Ų48.114%0.13927%0.265CS..Hα-helixtrans-62.8-42.1-177.5-164.637.5000112.8Y199 F200 K203 Y204 I600 A601 L606 M607 E608Y199-D604 HydrophobicContact CE1-CB 4.16Å; Y199-D604 PolarHBondContact OH-OD2 2.96Å; Y199-D604 VanDerWaalsContact OH-OD2 3.05Å; F200-D604 HydrophobicContact CE1-CB 4.42Å; F200-D604 WeakPolarHBondContact CE1-OD1 3.49Å; K203-D604 WeakPolarHBondContact CE-OD1 3.39Å; K203-D604 IonicContact NZ-OD1 3.96Å; K203-D604 PolarHBondContact NZ-OD1 2.98Å; K203-D604 IonicContact NZ-OD2 2.73Å; K203-D604 PolarHBondContact NZ-OD2 2.88Å; Y204-D604 PolarHBondContact OH-O 2.99Å; Y204-D604 PolarHBondContact OH-OD1 2.85Å; I600-D604 WeakPolarHBondContact O-CB 3.37Å; I600-D604 PolarHBondContact O-N 2.92Å; A601-D604 PolarHBondContact O-N 3.33Å; D604-L606 VanDerWaalsContact C-N 3.29Å; D604-L606 PolarHBondContact O-N 3.32Å; D604-M607 PolarHBondContact O-N 3.21Å; D604-E608 WeakPolarHBondContact O-CB 3.29Å; D604-E608 PolarHBondContact O-N 3.45Å
605E86.1Confident82.5Confident100 Ų10047.6 Ų47.647%0.46728%0.276SS..Hα-helixtrans-57.6-41.1175.7-74.7169-172.500112.1K550 A601 V609K550-E605 IonicContact NZ-OE2 3.19Å; K550-E605 PolarHBondContact NZ-OE2 3.43Å; A601-E605 WeakPolarHBondContact O-CB 3.39Å; A601-E605 VanDerWaalsContact O-CG 3.25Å; A601-E605 WeakPolarHBondContact O-CG 3.36Å; A601-E605 PolarHBondContact O-N 2.91Å; E605-V609 WeakPolarHBondContact O-CG2 3.34Å; E605-V609 PolarHBondContact O-N 3.39Å
606L86.1Confident80.2Confident49 Ų4945.7 Ų45.726%0.25729%0.285SS..Hα-helixtrans-72.3-42.7179-62.5173.5000111V543 H546 M603 D604 E608 V609 S610V543-L606 HydrophobicContact CG1-CB 3.87Å; H546-L606 HydrophobicContact CB-CD1 3.95Å; M603-L606 PolarHBondContact O-N 2.94Å; D604-L606 VanDerWaalsContact C-N 3.29Å; D604-L606 PolarHBondContact O-N 3.32Å; L606-E608 VanDerWaalsContact C-N 3.29Å; L606-E608 PolarHBondContact O-N 3.39Å; L606-V609 PolarHBondContact O-N 2.76Å; L606-S610 WeakPolarHBondContact O-CB 3.32Å; L606-S610 PolarHBondContact O-N 3.43Å; L606-S610 PolarHBondContact O-OG 2.89Å
607M84.9Confident78.3Confident0 Ų049.2 Ų49.20%031%0.307CS..Hα-helixtrans-61.1-39.3175-73.6-74-167.600111.6F200 Y204 L207 I212 L540 V543 L544 M603 D604 S610 F611F200-M607 HydrophobicContact CD1-CG 4.48Å; F200-M607 HydrophobicContact CE1-CB 3.94Å; F200-M607 HydrophobicContact CE1-CG 3.88Å; F200-M607 HydrophobicContact CE2-CG 4.48Å; F200-M607 HydrophobicContact CZ-CB 4.42Å; F200-M607 HydrophobicContact CZ-CG 3.89Å; Y204-M607 HydrophobicContact CD2-CB 4.19Å; Y204-M607 HydrophobicContact CE2-CB 3.62Å; L207-M607 HydrophobicContact CD1-SD 4.47Å; L207-M607 HydrophobicContact CD2-SD 4.12Å; I212-M607 HydrophobicContact CD1-CE 3.89Å; I212-M607 HydrophobicContact CG1-CE 4.48Å; L540-M607 HydrophobicContact CD1-CE 3.64Å; L540-M607 HydrophobicContact CD1-SD 4.34Å; V543-M607 HydrophobicContact CG1-CE 4.13Å; V543-M607 HydrophobicContact CG1-CG 3.92Å; V543-M607 HydrophobicContact CG1-SD 3.71Å; L544-M607 HydrophobicContact CD2-CE 3.65Å; L544-M607 HydrophobicContact CG-CE 4.15Å; M603-M607 HydrophobicContact CE-CE 3.4Å; M603-M607 HydrophobicContact CE-CG 3.57Å; M603-M607 HydrophobicContact CE-SD 4.09Å; M603-M607 WeakPolarHBondContact O-CG 3.32Å; M603-M607 PolarHBondContact O-N 3.49Å; D604-M607 PolarHBondContact O-N 3.21Å; M607-S610 PolarHBondContact O-N 3.09Å; M607-F611 WeakPolarHBondContact O-CB 3.4Å; M607-F611 PolarHBondContact O-N 3.11Å; M607-F611 HydrophobicContact SD-CD2 3.49Å; M607-F611 WeakPolarHBondContact SD-CD2 3.32Å; M607-F611 HydrophobicContact SD-CE2 3.49Å; M607-F611 WeakPolarHBondContact SD-CE2 3.42Å
608E82.2Confident76.6Confident65 Ų6548.8 Ų48.830%0.30431%0.31SS..Hα-helixtrans-61.6-45.7175.7-169.3-173.6172.400111.1Y204 D604 L606 S610 S612Y204-E608 HydrophobicContact CE1-CB 3.97Å; Y204-E608 HydrophobicContact CE1-CG 4.06Å; D604-E608 WeakPolarHBondContact O-CB 3.29Å; D604-E608 PolarHBondContact O-N 3.45Å; L606-E608 VanDerWaalsContact C-N 3.29Å; L606-E608 PolarHBondContact O-N 3.39Å; E608-S610 PolarHBondContact O-N 2.89Å; E608-S612 VanDerWaalsContact CG-OG 3.28Å; E608-S612 WeakPolarHBondContact CG-OG 3.45Å; E608-S612 WeakPolarHBondContact O-CB 3.47Å; E608-S612 PolarHBondContact O-N 3.32Å; E608-S612 VanDerWaalsContact O-N 3.1Å; E608-S612 PolarHBondContact O-OG 3.31Å
609V78.2Confident75.8Confident93 Ų9350.1 Ų50.156%0.56431%0.31SS*.Hα-helixtrans-65.3-39.5179.3172.30000111.8E605 L606 L614E605-V609 WeakPolarHBondContact O-CG2 3.34Å; E605-V609 PolarHBondContact O-N 3.39Å; L606-V609 PolarHBondContact O-N 2.76Å; V609-L614 VanDerWaalsContact O-CD1 3.25Å; V609-L614 WeakPolarHBondContact O-CD1 3.33Å
610S78.6Confident75.4Confident54 Ų5452.6 Ų52.638%0.37833%0.325SS..Hα-helixtrans-87.6-29.7-173.3-62.20000114.9V543 L606 M607 E608V543-S610 WeakPolarHBondContact CG2-OG 3.34Å; L606-S610 WeakPolarHBondContact O-CB 3.32Å; L606-S610 PolarHBondContact O-N 3.43Å; L606-S610 PolarHBondContact O-OG 2.89Å; M607-S610 PolarHBondContact O-N 3.09Å; E608-S610 PolarHBondContact O-N 2.89Å
611F74.3Confident75.1Confident24 Ų2453.3 Ų53.311%0.10533%0.329CS..Hα-helixtrans-126.2-3.2-170.6-58.8-79.1000114.8Y204 L207 L540 V543 M607Y204-F611 HydrophobicContact CG-CB 4.31Å; L207-F611 HydrophobicContact CB-CB 3.98Å; L207-F611 HydrophobicContact CB-CD1 4.28Å; L207-F611 HydrophobicContact CB-CG 4.16Å; L207-F611 HydrophobicContact CD1-CD1 4.06Å; L207-F611 HydrophobicContact CD1-CD2 4.23Å; L207-F611 HydrophobicContact CD1-CE1 4.17Å; L207-F611 HydrophobicContact CD1-CE2 4.34Å; L207-F611 HydrophobicContact CD1-CG 4.1Å; L207-F611 HydrophobicContact CD1-CZ 4.31Å; L540-F611 HydrophobicContact CB-CZ 3.98Å; L540-F611 HydrophobicContact CD1-CE2 4.2Å; L540-F611 HydrophobicContact CD1-CZ 4.01Å; V543-F611 HydrophobicContact CB-CE2 4.35Å; V543-F611 HydrophobicContact CG1-CE2 4.28Å; V543-F611 HydrophobicContact CG2-CE2 4.31Å; M607-F611 WeakPolarHBondContact O-CB 3.4Å; M607-F611 PolarHBondContact O-N 3.11Å; M607-F611 HydrophobicContact SD-CD2 3.49Å; M607-F611 WeakPolarHBondContact SD-CD2 3.32Å; M607-F611 HydrophobicContact SD-CE2 3.49Å; M607-F611 WeakPolarHBondContact SD-CE2 3.42Å
612S64.1Low75.3Confident24 Ų2450.8 Ų50.817%0.16831%0.308CS..SBendtrans-64.5147160.1-60.50000108.5E608 L614E608-S612 VanDerWaalsContact CG-OG 3.28Å; E608-S612 WeakPolarHBondContact CG-OG 3.45Å; E608-S612 WeakPolarHBondContact O-CB 3.47Å; E608-S612 PolarHBondContact O-N 3.32Å; E608-S612 VanDerWaalsContact O-N 3.1Å; E608-S612 PolarHBondContact O-OG 3.31Å; S612-L614 PolarHBondContact O-N 2.8Å
613P54.4Low75.7Confident54 Ų5454.7 Ų54.735%0.35132%0.32SS..SBendtrans-6960.9179.926.6-33.8000112.1T617P613-T617 WeakPolarHBondContact O-CB 3.14Å; P613-T617 PolarHBondContact O-N 2.87Å; P613-T617 PolarHBondContact O-OG1 3.36Å
614L51Low75.8Confident22 Ų2254.7 Ų54.712%0.11532%0.32CS..THydrogen-bonded Turntrans-80.6-29.7-173.6-86.1153.9000112.3V609 S612 A616 I634 R640V609-L614 VanDerWaalsContact O-CD1 3.25Å; V609-L614 WeakPolarHBondContact O-CD1 3.33Å; S612-L614 PolarHBondContact O-N 2.8Å; L614-A616 VanDerWaalsContact C-N 3.33Å; L614-I634 HydrophobicContact CD2-CD1 3.33Å; L614-I634 HydrophobicContact CD2-CG1 3.95Å; L614-I634 HydrophobicContact CD2-CG2 4.11Å; L614-R640 VanDerWaalsContact CD2-NH2 3.35Å
615A50.7Low75.8Confident75 Ų7554 Ų5462%0.6232%0.318SS*.THydrogen-bonded Turntrans-73.1-28.1173.600000112.1K632A615-K632 PolarHBondContact O-NZ 2.96Å
616A51.7Low76Confident82 Ų8253.8 Ų53.868%0.67832%0.316SS*.THydrogen-bonded Turntrans-98.8-22.9-176.500000114.2L614L614-A616 VanDerWaalsContact C-N 3.33Å
617T56.9Low76.2Confident75 Ų7552.8 Ų52.846%0.4631%0.313SS..SBendtrans-112.1130.3-17862.50000112.9P613P613-T617 WeakPolarHBondContact O-CB 3.14Å; P613-T617 PolarHBondContact O-N 2.87Å; P613-T617 PolarHBondContact O-OG1 3.36Å
618G62.9Low76.4Confident31 Ų3157.4 Ų57.432%0.3233%0.334SS..  trans136.4139-179.500000110.9Y633G618-Y633 WeakPolarHBondContact CA-O 3.49Å
619K80.1Confident76.8Confident166 Ų16661.5 Ų61.572%0.72235%0.347SS*.EExtended strand (participates in β ladder)trans-91.7137.2178.6-67.3-179179.6-179.80109L621 Y633K619-L621 PolarHBondContact O-N 2.88Å; K619-Y633 PolarHBondContact N-O 2.99Å; K619-Y633 PolarHBondContact O-N 3.07Å
620P87.8Confident77.4Confident86 Ų8661.8 Ų61.856%0.55834%0.34SS*.EExtended strand (participates in β ladder)trans-49.2126167.1-26.435.3000109.8F630P620-F630 HydrophobicContact CB-CB 3.99Å; P620-F630 HydrophobicContact CB-CD1 4.07Å; P620-F630 HydrophobicContact CB-CG 4.04Å
621L90.9Very high78Confident30 Ų3059.2 Ų59.216%0.15732%0.323CS..EExtended strand (participates in β ladder)trans-125.7-52.9-178.5-176.369.6000113.2K619 M631 Y633 L641 I658 L660 V674K619-L621 PolarHBondContact O-N 2.88Å; L621-M631 PolarHBondContact N-O 2.78Å; L621-Y633 HydrophobicContact CB-CG 4.47Å; L621-Y633 HydrophobicContact CD2-CD1 4.02Å; L621-Y633 HydrophobicContact CD2-CD2 4.14Å; L621-Y633 HydrophobicContact CD2-CG 3.7Å; L621-L641 HydrophobicContact CB-CD2 4.15Å; L621-L641 HydrophobicContact CD2-CD2 4.29Å; L621-I658 HydrophobicContact CD2-CG2 3.74Å; L621-L660 HydrophobicContact CD1-CB 4.26Å; L621-L660 WeakPolarHBondContact O-CD1 3.38Å; L621-V674 HydrophobicContact CD2-CG1 4.32Å
622S93.3Very high78.6Confident0 Ų060.8 Ų60.80%033%0.329CS..EExtended strand (participates in β ladder)trans-140.7158.6-178.368.20000111.3M631 E672S622-M631 WeakPolarHBondContact O-CA 3.31Å; S622-M631 WeakPolarHBondContact O-CB 3.35Å; S622-M631 PolarHBondContact O-N 3.25Å; S622-M631 VanDerWaalsContact OG-CE 3.31Å; S622-M631 WeakPolarHBondContact OG-CE 3.48Å; S622-E672 WeakPolarHBondContact CA-OE2 3.46Å
623R93.6Very high79.8Confident93 Ų9360.7 Ų60.735%0.35133%0.326SS..EExtended strand (participates in β ladder)trans-87.1141.8179.9-63.5179.7-170.8-99.11.1112.8H628 R629 F630 E672R623-H628 PolarHBondContact NH1-O 3.18Å; R623-R629 WeakPolarHBondContact CA-O 3.43Å; R623-F630 HydrophobicContact CG-CD1 4.17Å; R623-F630 HydrophobicContact CG-CE1 4.16Å; R623-E672 HydrophobicContact CB-CG 4.05Å; R623-E672 WeakPolarHBondContact CD-OE1 3.32Å; R623-E672 WeakPolarHBondContact CG-OE1 3.47Å; R623-E672 WeakPolarHBondContact CG-OE2 3.4Å; R623-E672 PolarHBondContact N-OE2 3.11Å; R623-E672 IonicContact NE-OE1 2.79Å; R623-E672 PolarHBondContact O-N 3.37Å
624C93.4Very high81Confident0 Ų058.4 Ų58.40%031%0.31CS..  trans-72.7131.5173.1-179.30000110.3K626 H628 R629 M631 C643 F671C624-K626 PolarHBondContact O-N 3.06Å; C624-K626 PolarHBondContact SG-N 2.77Å; C624-K626 VanDerWaalsContact SG-N 3.44Å; C624-H628 WeakPolarHBondContact O-CA 3.28Å; C624-H628 PolarHBondContact O-N 3Å; C624-R629 PolarHBondContact N-O 2.99Å; C624-M631 HydrophobicContact CB-CG 3.73Å; C624-M631 HydrophobicContact CB-SD 3.89Å; C624-C643 HydrophobicContact CB-CB 4.31Å; C624-F671 HydrophobicContact CB-CE1 4.31Å
625G91.2Very high82.1Confident11 Ų1164.1 Ų64.111%0.11334%0.336CS..THydrogen-bonded Turntrans-70.8-17.117700000114.2H628 D669 F671G625-H628 PolarHBondContact O-CE1 3.32Å; G625-D669 WeakPolarHBondContact CA-O 3.39Å; G625-F671 VanDerWaalsContact CA-CD2 3.49Å
626K90.8Very high83Confident96 Ų9663.3 Ų63.342%0.41733%0.33SS..THydrogen-bonded Turntrans-82.7-40.5179-64178.9173.5-179.60113.8C624 E648 F671C624-K626 PolarHBondContact O-N 3.06Å; C624-K626 PolarHBondContact SG-N 2.77Å; C624-K626 VanDerWaalsContact SG-N 3.44Å; K626-E648 IonicContact NZ-OE1 3.81Å; K626-E648 PolarHBondContact NZ-OE1 3.16Å; K626-E648 IonicContact NZ-OE2 2.71Å; K626-E648 PolarHBondContact NZ-OE2 2.93Å; K626-F671 HydrophobicContact CG-CE2 4.17Å; K626-F671 HydrophobicContact CG-CZ 4.14Å
627C89.2Confident83.6Confident28 Ų2866.7 Ų66.719%0.18933%0.329CS..THydrogen-bonded Turntrans-125.3-1.1-174.471.20000114.6R629 C643 C646C627-R629 PolarHBondContact O-N 2.84Å; C627-C643 PolarHBondContact SG-SG 3.31Å; C627-C646 PolarHBondContact SG-SG 3.45Å
628H89.8Confident84.3Confident96 Ų9666.3 Ų66.344%0.44433%0.328SS..  trans58.69.2179.5-47.5-67.3000116R623 C624 G625 D670R623-H628 PolarHBondContact NH1-O 3.18Å; C624-H628 WeakPolarHBondContact O-CA 3.28Å; C624-H628 PolarHBondContact O-N 3Å; G625-H628 PolarHBondContact O-CE1 3.32Å; H628-D670 IonicContact CE1-OD2 3.35Å; H628-D670 PolarHBondContact CE1-OD2 3.24Å; H628-D670 IonicContact ND1-OD2 3.08Å; H628-D670 PolarHBondContact ND1-OD2 2.85Å
629R89.8Confident85.1Confident151 Ų15165.2 Ų65.257%0.5732%0.315SS*.PPolyproline II helixtrans-85.3156.5173-61.8-169.9-179.9-151.70.6111.3R623 C624 C627 M631R623-R629 WeakPolarHBondContact CA-O 3.43Å; C624-R629 PolarHBondContact N-O 2.99Å; C627-R629 PolarHBondContact O-N 2.84Å; R629-M631 PolarHBondContact O-N 2.85Å
630F90.8Very high85.4Confident99 Ų9958.5 Ų58.543%0.43429%0.285SS..EExtended strand (participates in β ladder)trans-63.4130.1176.5-78-75.2000111.8P620 R623P620-F630 HydrophobicContact CB-CB 3.99Å; P620-F630 HydrophobicContact CB-CD1 4.07Å; P620-F630 HydrophobicContact CB-CG 4.04Å; R623-F630 HydrophobicContact CG-CD1 4.17Å; R623-F630 HydrophobicContact CG-CE1 4.16Å
631M91.2Very high85.5Confident0 Ų054.4 Ų54.40%026%0.259CS..EExtended strand (participates in β ladder)trans-85.7139.7164.5-56.9-171.4-68.600109.3L621 S622 C624 R629 L641 H642 C643 Y650 F671 P689L621-M631 PolarHBondContact N-O 2.78Å; S622-M631 WeakPolarHBondContact O-CA 3.31Å; S622-M631 WeakPolarHBondContact O-CB 3.35Å; S622-M631 PolarHBondContact O-N 3.25Å; S622-M631 VanDerWaalsContact OG-CE 3.31Å; S622-M631 WeakPolarHBondContact OG-CE 3.48Å; C624-M631 HydrophobicContact CB-CG 3.73Å; C624-M631 HydrophobicContact CB-SD 3.89Å; R629-M631 PolarHBondContact O-N 2.85Å; M631-L641 HydrophobicContact CB-CB 4.34Å; M631-L641 HydrophobicContact CB-CD2 4.06Å; M631-L641 HydrophobicContact CE-CB 4.43Å; M631-L641 HydrophobicContact CE-CD1 4.11Å; M631-L641 HydrophobicContact SD-CB 4.48Å; M631-H642 CarbonylContact C-O 3.53Å; M631-H642 VanDerWaalsContact CA-O 3.26Å; M631-H642 WeakPolarHBondContact CA-O 3.22Å; M631-C643 HydrophobicContact CG-CB 3.86Å; M631-C643 HydrophobicContact SD-CB 4.26Å; M631-Y650 HydrophobicContact SD-CD2 3.66Å; M631-Y650 HydrophobicContact SD-CE2 3.57Å; M631-Y650 VanDerWaalsContact SD-CE2 3.57Å; M631-F671 HydrophobicContact CE-CD1 3.85Å; M631-F671 HydrophobicContact CE-CE1 4.14Å; M631-F671 HydrophobicContact SD-CD1 4.27Å; M631-F671 HydrophobicContact SD-CE1 3.94Å; M631-P689 HydrophobicContact CE-CB 4.36Å; M631-P689 HydrophobicContact CE-CG 4.18Å
632K87.3Confident85.2Confident57 Ų5753.8 Ų53.825%0.24826%0.255CS..EExtended strand (participates in β ladder)trans-85.6126.5176.9-63.2-172.3-175.9-173.10109.3A615 L641 H642A615-K632 PolarHBondContact O-NZ 2.96Å; K632-L641 WeakPolarHBondContact O-CA 3.23Å; K632-H642 PolarHBondContact N-O 3.45Å; K632-H642 PolarHBondContact O-N 3.3Å
633Y88.2Confident84.9Confident23 Ų2353.8 Ų53.89%0.0926%0.255CS..EExtended strand (participates in β ladder)trans-83116.8170.9177.1-130.9000110.2G618 K619 L621 Q635 L641 L652 I658G618-Y633 WeakPolarHBondContact CA-O 3.49Å; K619-Y633 PolarHBondContact N-O 2.99Å; K619-Y633 PolarHBondContact O-N 3.07Å; L621-Y633 HydrophobicContact CB-CG 4.47Å; L621-Y633 HydrophobicContact CD2-CD1 4.02Å; L621-Y633 HydrophobicContact CD2-CD2 4.14Å; L621-Y633 HydrophobicContact CD2-CG 3.7Å; Y633-Q635 HydrophobicContact CD1-CG 3.67Å; Y633-Q635 HydrophobicContact CE1-CB 4.46Å; Y633-Q635 HydrophobicContact CE1-CG 3.2Å; Y633-L641 HydrophobicContact CD2-CD2 4.47Å; Y633-L652 HydrophobicContact CD2-CD1 3.83Å; Y633-L652 HydrophobicContact CE2-CD1 3.66Å; Y633-I658 HydrophobicContact CE1-CB 4.31Å; Y633-I658 HydrophobicContact CE2-CB 4Å; Y633-I658 HydrophobicContact CE2-CG1 4.13Å; Y633-I658 HydrophobicContact CE2-CG2 4.29Å
634I80.8Confident84.2Confident6 Ų652.4 Ų52.43%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-99.4111.4177.5-63142.2000107L614 A636 S639 R640 H642L614-I634 HydrophobicContact CD2-CD1 3.33Å; L614-I634 HydrophobicContact CD2-CG1 3.95Å; L614-I634 HydrophobicContact CD2-CG2 4.11Å; I634-A636 VanDerWaalsContact C-N 3.33Å; I634-A636 HydrophobicContact CG2-CB 4.04Å; I634-S639 WeakPolarHBondContact O-CA 3.39Å; I634-R640 HydrophobicContact CB-CG 3.95Å; I634-R640 HydrophobicContact CD1-CG 3.92Å; I634-R640 HydrophobicContact CG2-CG 4.3Å; I634-R640 PolarHBondContact N-O 2.86Å; I634-R640 PolarHBondContact O-N 3.2Å; I634-R640 VanDerWaalsContact O-N 3.16Å; I634-H642 HydrophobicContact CD1-CB 3.61Å
635Q74Confident83.7Confident141 Ų14157.8 Ų57.866%0.65929%0.285SS*.  trans-79.6-14-178.2-75.4-178.8-5.600113.5Y633Y633-Q635 HydrophobicContact CD1-CG 3.67Å; Y633-Q635 HydrophobicContact CE1-CB 4.46Å; Y633-Q635 HydrophobicContact CE1-CG 3.2Å
636A68.9Low83.2Confident58 Ų5859.1 Ų59.148%0.47929%0.292SS..SBendtrans-61135.9174.400000109.8I634 P638 S639I634-A636 VanDerWaalsContact C-N 3.33Å; I634-A636 HydrophobicContact CG2-CB 4.04Å; A636-P638 CarbonylContact O-C 3.07Å; A636-S639 WeakPolarHBondContact O-CA 3.43Å; A636-S639 PolarHBondContact O-N 3.23Å
637K65Low82.7Confident154 Ų15460.8 Ų60.867%0.6731%0.305SS*.SBendtrans-74.9133.6-178.7-68.2-173.6179.6-174.10109.9
638P70.8Confident82.4Confident67 Ų6762.3 Ų62.344%0.43531%0.31SS..SBendcis-73.8132.4-329.8-33.5000112.2A636 R640A636-P638 CarbonylContact O-C 3.07Å; P638-R640 PolarHBondContact O-NH1 3.35Å; P638-R640 VanDerWaalsContact O-NH1 3.13Å
639S79.4Confident82.2Confident8 Ų861 Ų616%0.05631%0.308CS..PPolyproline II helixtrans-62.6136.1-179.256.70000111.4I634 A636 L652 Q654I634-S639 WeakPolarHBondContact O-CA 3.39Å; A636-S639 WeakPolarHBondContact O-CA 3.43Å; A636-S639 PolarHBondContact O-N 3.23Å; S639-L652 WeakPolarHBondContact O-CB 3.27Å; S639-L652 PolarHBondContact O-N 2.82Å; S639-L652 VanDerWaalsContact O-N 3.15Å; S639-Q654 PolarHBondContact OG-NE2 2.92Å
640R87.8Confident82.2Confident24 Ų2453.8 Ų53.89%0.09128%0.281CS..EExtended strand (participates in β ladder)trans-151.9159.7-171.859.4-160.2-178.1-108.617.3113L614 I634 P638 T649 Y650L614-R640 VanDerWaalsContact CD2-NH2 3.35Å; I634-R640 HydrophobicContact CB-CG 3.95Å; I634-R640 HydrophobicContact CD1-CG 3.92Å; I634-R640 HydrophobicContact CG2-CG 4.3Å; I634-R640 PolarHBondContact N-O 2.86Å; I634-R640 PolarHBondContact O-N 3.2Å; I634-R640 VanDerWaalsContact O-N 3.16Å; P638-R640 PolarHBondContact O-NH1 3.35Å; P638-R640 VanDerWaalsContact O-NH1 3.13Å; R640-T649 HydrophobicContact CB-CG2 3.97Å; R640-T649 HydrophobicContact CG-CG2 3.99Å; R640-Y650 CarbonylContact C-O 3.44Å; R640-Y650 VanDerWaalsContact CA-O 3.31Å; R640-Y650 WeakPolarHBondContact CA-O 3.41Å; R640-Y650 WeakPolarHBondContact CB-O 3.44Å
641L89.3Confident82.1Confident0 Ų052.5 Ų52.50%028%0.281CS..EExtended strand (participates in β ladder)trans-107.8131169.6-79.7163.3000109.4L621 M631 K632 Y633 T649 Y650 L652 V674 P689L621-L641 HydrophobicContact CB-CD2 4.15Å; L621-L641 HydrophobicContact CD2-CD2 4.29Å; M631-L641 HydrophobicContact CB-CB 4.34Å; M631-L641 HydrophobicContact CB-CD2 4.06Å; M631-L641 HydrophobicContact CE-CB 4.43Å; M631-L641 HydrophobicContact CE-CD1 4.11Å; M631-L641 HydrophobicContact SD-CB 4.48Å; K632-L641 WeakPolarHBondContact O-CA 3.23Å; Y633-L641 HydrophobicContact CD2-CD2 4.47Å; L641-T649 CarbonylContact O-C 3.53Å; L641-T649 WeakPolarHBondContact O-CA 3.4Å; L641-Y650 PolarHBondContact N-O 3.49Å; L641-Y650 PolarHBondContact O-N 2.71Å; L641-L652 HydrophobicContact CD1-CD1 4.06Å; L641-L652 HydrophobicContact CD1-CD2 4.09Å; L641-L652 HydrophobicContact CD1-CG 4.46Å; L641-L652 HydrophobicContact CG-CD1 3.87Å; L641-L652 HydrophobicContact CG-CG 4.49Å; L641-V674 HydrophobicContact CD1-CG1 4.11Å; L641-P689 HydrophobicContact CD1-CB 4.06Å; L641-P689 HydrophobicContact CD1-CG 3.66Å
642H85.8Confident82Confident18 Ų1852.6 Ų52.68%0.08328%0.282CS..EExtended strand (participates in β ladder)trans-121.2129.3178.2175.273.8000111M631 K632 I634 D647 E648 T649M631-H642 CarbonylContact C-O 3.53Å; M631-H642 VanDerWaalsContact CA-O 3.26Å; M631-H642 WeakPolarHBondContact CA-O 3.22Å; K632-H642 PolarHBondContact N-O 3.45Å; K632-H642 PolarHBondContact O-N 3.3Å; I634-H642 HydrophobicContact CD1-CB 3.61Å; H642-D647 IonicContact CE1-OD1 3.27Å; H642-D647 PolarHBondContact CE1-OD1 3.37Å; H642-E648 WeakPolarHBondContact CA-O 3.36Å; H642-E648 PolarHBondContact ND1-O 3.42Å; H642-T649 PolarHBondContact ND1-OG1 2.93Å
643C85.6Confident82Confident0 Ų050.1 Ų50.10%027%0.272CS..EExtended strand (participates in β ladder)trans-96.9103.8174-173.90000110.1C624 C627 M631 H645 C646 D647 E648C624-C643 HydrophobicContact CB-CB 4.31Å; C627-C643 PolarHBondContact SG-SG 3.31Å; M631-C643 HydrophobicContact CG-CB 3.86Å; M631-C643 HydrophobicContact SD-CB 4.26Å; C643-H645 PolarHBondContact O-N 2.75Å; C643-C646 HydrophobicContact CB-CB 4.2Å; C643-C646 PolarHBondContact O-N 2.85Å; C643-D647 WeakPolarHBondContact O-CA 3.26Å; C643-D647 PolarHBondContact O-N 2.78Å; C643-E648 PolarHBondContact N-O 2.82Å; C643-E648 PolarHBondContact O-N 2.98Å
644S80.2Confident81.8Confident63 Ų6352.2 Ų52.244%0.44128%0.282SS..THydrogen-bonded Turntrans-65.4-11.1-178-52.80000115.3
645H81.8Confident81.7Confident114 Ų11458 Ų5853%0.52831%0.313SS..THydrogen-bonded Turntrans-98.1-36.8178.8-172.462.6000112.8C643 D647C643-H645 PolarHBondContact O-N 2.75Å; H645-D647 VanDerWaalsContact C-N 3.34Å
646C80.4Confident82.1Confident39 Ų3952.6 Ų52.626%0.26430%0.295SS..THydrogen-bonded Turntrans-87.3-9.4173.8-61.90000112.5C627 C643 E648C627-C646 PolarHBondContact SG-SG 3.45Å; C643-C646 HydrophobicContact CB-CB 4.2Å; C643-C646 PolarHBondContact O-N 2.85Å; C646-E648 HydrophobicContact CB-CB 4.45Å; C646-E648 HydrophobicContact CB-CG 4.46Å; C646-E648 PolarHBondContact O-N 2.91Å
647D81.2Confident82.9Confident131 Ų13153.5 Ų53.570%0.70130%0.295SS*.THydrogen-bonded Turntrans52.235.8-172.8-157.628.1000113.7H642 C643 H645H642-D647 IonicContact CE1-OD1 3.27Å; H642-D647 PolarHBondContact CE1-OD1 3.37Å; C643-D647 WeakPolarHBondContact O-CA 3.26Å; C643-D647 PolarHBondContact O-N 2.78Å; H645-D647 VanDerWaalsContact C-N 3.34Å
648E82.6Confident84.1Confident60 Ų6046.8 Ų46.828%0.2827%0.266SS..EExtended strand (participates in β ladder)trans-112.5143.5-179.1-76.2-174.3-162.800111.4K626 H642 C643 C646 Y650K626-E648 IonicContact NZ-OE1 3.81Å; K626-E648 PolarHBondContact NZ-OE1 3.16Å; K626-E648 IonicContact NZ-OE2 2.71Å; K626-E648 PolarHBondContact NZ-OE2 2.93Å; H642-E648 WeakPolarHBondContact CA-O 3.36Å; H642-E648 PolarHBondContact ND1-O 3.42Å; C643-E648 PolarHBondContact N-O 2.82Å; C643-E648 PolarHBondContact O-N 2.98Å; C646-E648 HydrophobicContact CB-CB 4.45Å; C646-E648 HydrophobicContact CB-CG 4.46Å; C646-E648 PolarHBondContact O-N 2.91Å; E648-Y650 HydrophobicContact CB-CE2 4.3Å; E648-Y650 PolarHBondContact OE2-OH 3.39Å
649T84.8Confident85.1Confident67 Ų6750 Ų5041%0.41127%0.274SS..EExtended strand (participates in β ladder)trans-121.8128.3179.8-56.60000110.8R640 L641 H642R640-T649 HydrophobicContact CB-CG2 3.97Å; R640-T649 HydrophobicContact CG-CG2 3.99Å; L641-T649 CarbonylContact O-C 3.53Å; L641-T649 WeakPolarHBondContact O-CA 3.4Å; H642-T649 PolarHBondContact ND1-OG1 2.93Å
650Y90.4Very high85.7Confident1 Ų152.3 Ų52.30%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-111.1122.8-179-54.3-72000110M631 R640 L641 E648 F671 P689 Y690 N693M631-Y650 HydrophobicContact SD-CD2 3.66Å; M631-Y650 HydrophobicContact SD-CE2 3.57Å; M631-Y650 VanDerWaalsContact SD-CE2 3.57Å; R640-Y650 CarbonylContact C-O 3.44Å; R640-Y650 VanDerWaalsContact CA-O 3.31Å; R640-Y650 WeakPolarHBondContact CA-O 3.41Å; R640-Y650 WeakPolarHBondContact CB-O 3.44Å; L641-Y650 PolarHBondContact N-O 3.49Å; L641-Y650 PolarHBondContact O-N 2.71Å; E648-Y650 HydrophobicContact CB-CE2 4.3Å; E648-Y650 PolarHBondContact OE2-OH 3.39Å; Y650-F671 HydrophobicContact CD2-CE1 4.37Å; Y650-F671 HydrophobicContact CE1-CE1 4.47Å; Y650-F671 HydrophobicContact CE1-CZ 4.49Å; Y650-F671 AromaticContact CE2-CE1 3.63Å; Y650-F671 HydrophobicContact CE2-CE1 3.63Å; Y650-F671 HydrophobicContact CE2-CZ 4.17Å; Y650-F671 AromaticContact CZ-CE1 3.69Å; Y650-F671 AromaticContact CZ-CZ 3.78Å; Y650-F671 WeakPolarHBondContact OH-CZ 3.3Å; Y650-P689 HydrophobicContact CG-CB 4.32Å; Y650-Y690 AromaticContact CE1-CD2 3.78Å; Y650-Y690 HydrophobicContact CE1-CD2 3.78Å; Y650-Y690 HydrophobicContact CE1-CE2 4.46Å; Y650-N693 HydrophobicContact CD1-CB 4.48Å
651T88.7Confident85.9Confident71 Ų7151.6 Ų51.644%0.43628%0.282SS..EExtended strand (participates in β ladder)trans-70.2149174.766.40000110.9Y692 N693T651-Y692 VanDerWaalsContact O-CD1 3.27Å; T651-Y692 WeakPolarHBondContact O-CD1 3.5Å; T651-N693 WeakPolarHBondContact CB-OD1 3.23Å; T651-N693 PolarHBondContact N-ND2 2.71Å; T651-N693 PolarHBondContact N-OD1 2.91Å; T651-N693 PolarHBondContact O-ND2 2.98Å; T651-N693 PolarHBondContact OG1-OD1 3.47Å
652L89.9Confident85.5Confident2 Ų258.6 Ų58.61%0.0131%0.313CS..  trans-121.1159.5177-67.6175.2000111.2Y633 S639 L641 Q654 I658 V674 L687Y633-L652 HydrophobicContact CD2-CD1 3.83Å; Y633-L652 HydrophobicContact CE2-CD1 3.66Å; S639-L652 WeakPolarHBondContact O-CB 3.27Å; S639-L652 PolarHBondContact O-N 2.82Å; S639-L652 VanDerWaalsContact O-N 3.15Å; L641-L652 HydrophobicContact CD1-CD1 4.06Å; L641-L652 HydrophobicContact CD1-CD2 4.09Å; L641-L652 HydrophobicContact CD1-CG 4.46Å; L641-L652 HydrophobicContact CG-CD1 3.87Å; L641-L652 HydrophobicContact CG-CG 4.49Å; L652-Q654 PolarHBondContact O-N 2.99Å; L652-Q654 PolarHBondContact O-NE2 3.41Å; L652-I658 HydrophobicContact CB-CD1 4.19Å; L652-I658 HydrophobicContact CD1-CD1 4.27Å; L652-I658 HydrophobicContact CD1-CG1 4.08Å; L652-I658 HydrophobicContact CD1-CG2 4.03Å; L652-V674 HydrophobicContact CD2-CG2 3.96Å; L652-L687 HydrophobicContact CD2-CD1 3.94Å
653P86.9Confident85.5Confident6 Ų664.2 Ų64.24%0.03934%0.339CS..  trans-60.9136.7175.9-8.515.6000111.9W676 L687 Y692P653-W676 HydrophobicContact CB-CD2 4.24Å; P653-W676 HydrophobicContact CB-CG 3.95Å; P653-W676 HydrophobicContact CG-CB 4.13Å; P653-W676 HydrophobicContact CG-CG 3.98Å; P653-W676 PolarHBondContact O-NE1 3.03Å; P653-L687 HydrophobicContact CG-CD2 3.53Å; P653-Y692 WeakPolarHBondContact CA-OH 3.48Å; P653-Y692 HydrophobicContact CB-CE2 4.36Å; P653-Y692 HydrophobicContact CG-CD2 4.44Å; P653-Y692 HydrophobicContact CG-CE2 3.61Å
654Q83.2Confident85.7Confident67 Ų6767.2 Ų67.231%0.31336%0.355SS..SBendtrans-83.8169.9-176.2-58.2-57.7-4900111.9S639 L652 G656 W676S639-Q654 PolarHBondContact OG-NE2 2.92Å; L652-Q654 PolarHBondContact O-N 2.99Å; L652-Q654 PolarHBondContact O-NE2 3.41Å; Q654-G656 VanDerWaalsContact C-N 3.29Å; Q654-G656 PolarHBondContact O-N 2.98Å; Q654-W676 PolarHBondContact O-NE1 3.43Å
655N79.4Confident86.3Confident126 Ų12669.9 Ų69.967%0.67436%0.355SS*.SBendtrans55.836.3172.2-58-33.2000115
656G81.4Confident86.8Confident28 Ų2864.9 Ų64.929%0.28933%0.333SS..SBendtrans-155.6176.1172.800000112.1Q654 S677Q654-G656 VanDerWaalsContact C-N 3.29Å; Q654-G656 PolarHBondContact O-N 2.98Å; G656-S677 CarbonylContact C-O 3.43Å; G656-S677 WeakPolarHBondContact CA-O 3.16Å
657T85.7Confident87.3Confident77 Ų7766.3 Ų66.347%0.47234%0.342SS..EExtended strand (participates in β ladder)trans-91.7134.9176.560.70000110.5W676 S677T657-W676 WeakPolarHBondContact O-CA 3.49Å; T657-S677 PolarHBondContact N-O 2.84Å; T657-S677 PolarHBondContact O-N 3.26Å; T657-S677 PolarHBondContact OG1-O 3.31Å
658I91.9Very high87.7Confident13 Ų1363.3 Ų63.37%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-106.2133.2175.2-57.5-74.8000109.4L621 Y633 L652 V674 L675 W676L621-I658 HydrophobicContact CD2-CG2 3.74Å; Y633-I658 HydrophobicContact CE1-CB 4.31Å; Y633-I658 HydrophobicContact CE2-CB 4Å; Y633-I658 HydrophobicContact CE2-CG1 4.13Å; Y633-I658 HydrophobicContact CE2-CG2 4.29Å; L652-I658 HydrophobicContact CB-CD1 4.19Å; L652-I658 HydrophobicContact CD1-CD1 4.27Å; L652-I658 HydrophobicContact CD1-CG1 4.08Å; L652-I658 HydrophobicContact CD1-CG2 4.03Å; I658-V674 HydrophobicContact CG2-CB 3.98Å; I658-V674 HydrophobicContact CG2-CG1 4.45Å; I658-V674 HydrophobicContact CG2-CG2 4.2Å; I658-L675 WeakPolarHBondContact CA-O 3.47Å; I658-W676 HydrophobicContact CD1-CB 3.86Å; I658-W676 HydrophobicContact CD1-CG 4.13Å
659K91.4Very high88Confident135 Ų13561.8 Ų61.859%0.58732%0.319SS*.EExtended strand (participates in β ladder)trans-136.8157.9173.5-63.5-176.5-177.4179.40110.7V674 L675K659-V674 CarbonylContact O-C 3.55Å; K659-V674 WeakPolarHBondContact O-CA 3.5Å; K659-L675 PolarHBondContact N-O 3.33Å; K659-L675 PolarHBondContact O-N 3.16Å
660L91.9Very high88.4Confident57 Ų5761.3 Ų61.330%0.29831%0.314SS..EExtended strand (participates in β ladder)trans-64.4136.4170.3-177.962000109.8L621 E663 E672L621-L660 HydrophobicContact CD1-CB 4.26Å; L621-L660 WeakPolarHBondContact O-CD1 3.38Å; L660-E663 HydrophobicContact CD2-CG 3.78Å; L660-E663 HydrophobicContact CG-CG 4.46Å; L660-E672 HydrophobicContact CD1-CB 4.29Å
661Y90.4Very high88.7Confident9 Ų961.4 Ų61.44%0.03531%0.314CS..EExtended strand (participates in β ladder)trans-104.891.1-176.7-176.1-111.5000111.9E663 L664 L673 L675 P686 H716 T739Y661-E663 PolarHBondContact O-N 2.98Å; Y661-L664 HydrophobicContact CD1-CB 4.48Å; Y661-L664 HydrophobicContact CD1-CD1 4.18Å; Y661-L664 HydrophobicContact CE1-CD1 3.68Å; Y661-L664 PolarHBondContact O-N 3.31Å; Y661-L673 WeakPolarHBondContact CB-O 3.25Å; Y661-L673 HydrophobicContact CD1-CB 4.02Å; Y661-L673 HydrophobicContact CD1-CD1 4.2Å; Y661-L673 PolarHBondContact N-O 2.91Å; Y661-L675 HydrophobicContact CD2-CB 4.04Å; Y661-L675 HydrophobicContact CD2-CD1 4.25Å; Y661-L675 HydrophobicContact CD2-CD2 4.42Å; Y661-L675 HydrophobicContact CD2-CG 4.48Å; Y661-L675 HydrophobicContact CG-CB 4.41Å; Y661-P686 HydrophobicContact CD1-CB 3.86Å; Y661-P686 HydrophobicContact CE1-CB 3.98Å; Y661-P686 HydrophobicContact CE1-CG 4.41Å; Y661-P686 HydrophobicContact CG-CB 4.2Å; Y661-H716 AromaticContact CE1-CD2 3.93Å; Y661-H716 AromaticContact CE1-CE1 3.84Å; Y661-H716 AromaticContact CE1-NE2 3.31Å; Y661-H716 VanDerWaalsContact CE1-NE2 3.31Å; Y661-H716 WeakPolarHBondContact CE1-NE2 3.43Å; Y661-H716 AromaticContact CZ-NE2 3.97Å; Y661-H716 PolarHBondContact OH-CE1 3.47Å; Y661-T739 HydrophobicContact CD2-CG2 4.37Å; Y661-T739 HydrophobicContact CE2-CG2 3.48Å; Y661-T739 VanDerWaalsContact CE2-CG2 3.48Å
662K82.6Confident89Confident147 Ų14758.2 Ų58.264%0.63930%0.295SS*.EExtended strand (participates in β ladder)trans51.222.1171.7-59.6-179.4179.7176.40115.2L664K662-L664 HydrophobicContact CB-CD1 4.09Å; K662-L664 HydrophobicContact CB-CG 4Å; K662-L664 HydrophobicContact CD-CD1 4.43Å; K662-L664 PolarHBondContact O-N 3.48Å
663E84.4Confident89.2Confident136 Ų13658.4 Ų58.464%0.63630%0.295SS*.EExtended strand (participates in β ladder)trans53.420-173-66.1176.5-163.200114.2L660 Y661L660-E663 HydrophobicContact CD2-CG 3.78Å; L660-E663 HydrophobicContact CG-CG 4.46Å; Y661-E663 PolarHBondContact O-N 2.98Å
664L90.4Very high89.6Confident62 Ų6258.1 Ų58.133%0.32529%0.294SS..EExtended strand (participates in β ladder)trans-73.2144178-68.2173.6000109.6Y661 K662 E672 L673Y661-L664 HydrophobicContact CD1-CB 4.48Å; Y661-L664 HydrophobicContact CD1-CD1 4.18Å; Y661-L664 HydrophobicContact CE1-CD1 3.68Å; Y661-L664 PolarHBondContact O-N 3.31Å; K662-L664 HydrophobicContact CB-CD1 4.09Å; K662-L664 HydrophobicContact CB-CG 4Å; K662-L664 HydrophobicContact CD-CD1 4.43Å; K662-L664 PolarHBondContact O-N 3.48Å; L664-E672 WeakPolarHBondContact O-CA 3.29Å; L664-L673 HydrophobicContact CB-CD1 4.24Å; L664-L673 WeakPolarHBondContact O-CG 3.5Å; L664-L673 PolarHBondContact O-N 3.28Å
665R92.9Very high90Very high120 Ų12056.5 Ų56.545%0.45329%0.287SS..EExtended strand (participates in β ladder)trans-108.5149.3-180-58.7-173.1-169.8173.94.3111.5D670 F671 E672R665-D670 WeakPolarHBondContact CD-OD1 3.41Å; R665-D670 IonicContact CZ-OD2 2.65Å; R665-D670 IonicContact NH1-OD1 2.83Å; R665-D670 PolarHBondContact NH1-OD1 3.26Å; R665-D670 IonicContact NH1-OD2 2.79Å; R665-D670 PolarHBondContact NH1-OD2 3.17Å; R665-F671 CarbonylContact C-O 3.57Å; R665-F671 WeakPolarHBondContact CA-O 3.41Å; R665-E672 HydrophobicContact CG-CG 4.05Å
666C92Very high90.6Very high8 Ų851.8 Ų51.85%0.05426%0.26CS..  trans-68126.9171.7-176.10000109.3L668 D669 D670 F671 L673 C688C666-L668 PolarHBondContact O-N 3.26Å; C666-L668 VanDerWaalsContact O-N 3.15Å; C666-D669 WeakPolarHBondContact CB-OD1 3.42Å; C666-D669 PolarHBondContact SG-OD1 2.93Å; C666-D670 WeakPolarHBondContact O-CA 3.41Å; C666-D670 PolarHBondContact O-N 3.14Å; C666-F671 PolarHBondContact N-O 3.44Å; C666-L673 HydrophobicContact CB-CD2 4Å; C666-C688 HydrophobicContact CB-CB 3.97Å
667P91Very high91Very high70 Ų7051.6 Ų51.646%0.45525%0.254SS..THydrogen-bonded Turntrans-70.6-8.6-178.528.9-35.8000113.9S713 C714P667-S713 WeakPolarHBondContact CB-OG 3.46Å; P667-S713 WeakPolarHBondContact CG-OG 3.26Å; P667-C714 HydrophobicContact CG-CB 4.3Å
668L89.1Confident90.9Very high67 Ų6751 Ų5135%0.35125%0.253SS..THydrogen-bonded Turntrans-91.5-39.8-179.6-72.5172.9000113.3C666 P696 F697 H711C666-L668 PolarHBondContact O-N 3.26Å; C666-L668 VanDerWaalsContact O-N 3.15Å; L668-P696 HydrophobicContact CD1-CB 4.38Å; L668-P696 HydrophobicContact CD1-CG 3.9Å; L668-F697 HydrophobicContact CD1-CE2 4.17Å; L668-F697 HydrophobicContact CD1-CZ 3.8Å; L668-H711 HydrophobicContact CD1-CB 4.14Å; L668-H711 WeakPolarHBondContact CD2-CD2 3.48Å; L668-H711 WeakPolarHBondContact CD2-NE2 3.48Å
669D90.5Very high90.3Very high29 Ų2951.9 Ų51.916%0.15527%0.265CS..THydrogen-bonded Turntrans-134.71.5-165.259.438.5000113.4G625 C666 F671 C688 Y690 C691G625-D669 WeakPolarHBondContact CA-O 3.39Å; C666-D669 WeakPolarHBondContact CB-OD1 3.42Å; C666-D669 PolarHBondContact SG-OD1 2.93Å; D669-F671 HydrophobicContact CB-CD2 4.01Å; D669-F671 WeakPolarHBondContact O-CD2 3.31Å; D669-F671 PolarHBondContact O-N 3.21Å; D669-F671 VanDerWaalsContact O-N 3.11Å; D669-F671 WeakPolarHBondContact OD1-CB 3.14Å; D669-F671 WeakPolarHBondContact OD1-CD2 3.19Å; D669-F671 PolarHBondContact OD1-N 3.05Å; D669-C688 PolarHBondContact OD1-SG 3.04Å; D669-C688 PolarHBondContact OD2-SG 3.11Å; D669-Y690 HydrophobicContact CB-CD1 4Å; D669-C691 PolarHBondContact OD2-SG 3.21Å
670D92.6Very high89.2Confident56 Ų5650.6 Ų50.630%0.29927%0.273SS..  trans59.612.6-179.8-156.348.1000115.5H628 R665 C666H628-D670 IonicContact CE1-OD2 3.35Å; H628-D670 PolarHBondContact CE1-OD2 3.24Å; H628-D670 IonicContact ND1-OD2 3.08Å; H628-D670 PolarHBondContact ND1-OD2 2.85Å; R665-D670 WeakPolarHBondContact CD-OD1 3.41Å; R665-D670 IonicContact CZ-OD2 2.65Å; R665-D670 IonicContact NH1-OD1 2.83Å; R665-D670 PolarHBondContact NH1-OD1 3.26Å; R665-D670 IonicContact NH1-OD2 2.79Å; R665-D670 PolarHBondContact NH1-OD2 3.17Å; C666-D670 WeakPolarHBondContact O-CA 3.41Å; C666-D670 PolarHBondContact O-N 3.14Å
671F95.3Very high88Confident3 Ų357.2 Ų57.21%0.01329%0.294CS..PPolyproline II helixtrans-70.8138.2173.2-81.2-105.8000111.2C624 G625 K626 M631 Y650 R665 C666 D669 L673 P689 Y690C624-F671 HydrophobicContact CB-CE1 4.31Å; G625-F671 VanDerWaalsContact CA-CD2 3.49Å; K626-F671 HydrophobicContact CG-CE2 4.17Å; K626-F671 HydrophobicContact CG-CZ 4.14Å; M631-F671 HydrophobicContact CE-CD1 3.85Å; M631-F671 HydrophobicContact CE-CE1 4.14Å; M631-F671 HydrophobicContact SD-CD1 4.27Å; M631-F671 HydrophobicContact SD-CE1 3.94Å; Y650-F671 HydrophobicContact CD2-CE1 4.37Å; Y650-F671 HydrophobicContact CE1-CE1 4.47Å; Y650-F671 HydrophobicContact CE1-CZ 4.49Å; Y650-F671 AromaticContact CE2-CE1 3.63Å; Y650-F671 HydrophobicContact CE2-CE1 3.63Å; Y650-F671 HydrophobicContact CE2-CZ 4.17Å; Y650-F671 AromaticContact CZ-CE1 3.69Å; Y650-F671 AromaticContact CZ-CZ 3.78Å; Y650-F671 WeakPolarHBondContact OH-CZ 3.3Å; R665-F671 CarbonylContact C-O 3.57Å; R665-F671 WeakPolarHBondContact CA-O 3.41Å; C666-F671 PolarHBondContact N-O 3.44Å; D669-F671 HydrophobicContact CB-CD2 4.01Å; D669-F671 WeakPolarHBondContact O-CD2 3.31Å; D669-F671 PolarHBondContact O-N 3.21Å; D669-F671 VanDerWaalsContact O-N 3.11Å; D669-F671 WeakPolarHBondContact OD1-CB 3.14Å; D669-F671 WeakPolarHBondContact OD1-CD2 3.19Å; D669-F671 PolarHBondContact OD1-N 3.05Å; F671-L673 PolarHBondContact O-N 3.35Å; F671-P689 HydrophobicContact CD1-CB 4.45Å; F671-Y690 HydrophobicContact CD2-CG 4.17Å; F671-Y690 AromaticContact CE2-CD2 3.89Å; F671-Y690 HydrophobicContact CE2-CD2 3.89Å; F671-Y690 AromaticContact CE2-CG 3.86Å; F671-Y690 HydrophobicContact CE2-CG 3.86Å; F671-Y690 AromaticContact CZ-CD2 3.97Å; F671-Y690 HydrophobicContact CZ-CD2 3.97Å; F671-Y690 HydrophobicContact CZ-CG 4.3Å
672E95.6Very high87.3Confident5 Ų557.1 Ų57.12%0.02330%0.296CS..EExtended strand (participates in β ladder)trans-67.2131171.2-83.4179.5-177.100111S622 R623 L660 L664 R665 P689S622-E672 WeakPolarHBondContact CA-OE2 3.46Å; R623-E672 HydrophobicContact CB-CG 4.05Å; R623-E672 WeakPolarHBondContact CD-OE1 3.32Å; R623-E672 WeakPolarHBondContact CG-OE1 3.47Å; R623-E672 WeakPolarHBondContact CG-OE2 3.4Å; R623-E672 PolarHBondContact N-OE2 3.11Å; R623-E672 IonicContact NE-OE1 2.79Å; R623-E672 PolarHBondContact O-N 3.37Å; L660-E672 HydrophobicContact CD1-CB 4.29Å; L664-E672 WeakPolarHBondContact O-CA 3.29Å; R665-E672 HydrophobicContact CG-CG 4.05Å; E672-P689 WeakPolarHBondContact O-CD 2.97Å
673L94.4Very high87.4Confident5 Ų551.9 Ų51.93%0.02627%0.274CS..EExtended strand (participates in β ladder)trans-72.6145.4-178.1-59.9-177.2000111.1Y661 L664 C666 F671 C688Y661-L673 WeakPolarHBondContact CB-O 3.25Å; Y661-L673 HydrophobicContact CD1-CB 4.02Å; Y661-L673 HydrophobicContact CD1-CD1 4.2Å; Y661-L673 PolarHBondContact N-O 2.91Å; L664-L673 HydrophobicContact CB-CD1 4.24Å; L664-L673 WeakPolarHBondContact O-CG 3.5Å; L664-L673 PolarHBondContact O-N 3.28Å; C666-L673 HydrophobicContact CB-CD2 4Å; F671-L673 PolarHBondContact O-N 3.35Å; L673-C688 HydrophobicContact CD2-CB 3.64Å
674V94.6Very high87.6Confident0 Ų046.2 Ų46.20%025%0.249CC..EExtended strand (participates in β ladder)trans-117.8148.5171.2-61.20000110.3L621 L641 L652 I658 K659 P686 L687 P689L621-V674 HydrophobicContact CD2-CG1 4.32Å; L641-V674 HydrophobicContact CD1-CG1 4.11Å; L652-V674 HydrophobicContact CD2-CG2 3.96Å; I658-V674 HydrophobicContact CG2-CB 3.98Å; I658-V674 HydrophobicContact CG2-CG1 4.45Å; I658-V674 HydrophobicContact CG2-CG2 4.2Å; K659-V674 CarbonylContact O-C 3.55Å; K659-V674 WeakPolarHBondContact O-CA 3.5Å; V674-P686 CarbonylContact O-C 3.58Å; V674-P686 WeakPolarHBondContact O-CA 3.45Å; V674-L687 HydrophobicContact CG2-CD1 3.88Å; V674-L687 HydrophobicContact CG2-CD2 4.19Å; V674-L687 HydrophobicContact CG2-CG 3.73Å; V674-L687 PolarHBondContact N-O 3.43Å; V674-L687 PolarHBondContact O-N 2.9Å; V674-P689 HydrophobicContact CG2-CG 4.37Å
675L92.6Very high87.6Confident33 Ų3345 Ų4517%0.17324%0.24CC..EExtended strand (participates in β ladder)trans-100.2121.8177.4-177.268.4000108.9I658 K659 Y661 T739I658-L675 WeakPolarHBondContact CA-O 3.47Å; K659-L675 PolarHBondContact N-O 3.33Å; K659-L675 PolarHBondContact O-N 3.16Å; Y661-L675 HydrophobicContact CD2-CB 4.04Å; Y661-L675 HydrophobicContact CD2-CD1 4.25Å; Y661-L675 HydrophobicContact CD2-CD2 4.42Å; Y661-L675 HydrophobicContact CD2-CG 4.48Å; Y661-L675 HydrophobicContact CG-CB 4.41Å; L675-T739 HydrophobicContact CD1-CG2 3.98Å; L675-T739 HydrophobicContact CD2-CG2 4.33Å
676W92.4Very high87.6Confident27 Ų2739.6 Ų39.610%0.10222%0.22CC..EExtended strand (participates in β ladder)trans-95.6139.5166.9178.687.3000109.9P653 Q654 T657 I658 K683 S684 Y685 L687P653-W676 HydrophobicContact CB-CD2 4.24Å; P653-W676 HydrophobicContact CB-CG 3.95Å; P653-W676 HydrophobicContact CG-CB 4.13Å; P653-W676 HydrophobicContact CG-CG 3.98Å; P653-W676 PolarHBondContact O-NE1 3.03Å; Q654-W676 PolarHBondContact O-NE1 3.43Å; T657-W676 WeakPolarHBondContact O-CA 3.49Å; I658-W676 HydrophobicContact CD1-CB 3.86Å; I658-W676 HydrophobicContact CD1-CG 4.13Å; W676-K683 HydrophobicContact CZ3-CB 4.16Å; W676-S684 WeakPolarHBondContact O-CA 3.36Å; W676-S684 WeakPolarHBondContact O-CB 3.12Å; W676-Y685 HydrophobicContact CD2-CE1 4.32Å; W676-Y685 AromaticContact CE3-CD1 3.86Å; W676-Y685 HydrophobicContact CE3-CD1 3.86Å; W676-Y685 AromaticContact CE3-CE1 3.31Å; W676-Y685 HydrophobicContact CE3-CE1 3.31Å; W676-Y685 AromaticContact CE3-CZ 3.74Å; W676-Y685 HydrophobicContact CZ3-CD1 4.15Å; W676-Y685 AromaticContact CZ3-CE1 3.47Å; W676-Y685 HydrophobicContact CZ3-CE1 3.47Å; W676-Y685 VanDerWaalsContact CZ3-CE1 3.47Å; W676-Y685 PolarHBondContact N-O 3.35Å; W676-Y685 VanDerWaalsContact N-O 3.08Å; W676-Y685 PolarHBondContact O-N 3.46Å; W676-Y685 VanDerWaalsContact O-N 3.07Å; W676-L687 HydrophobicContact CB-CD2 3.85Å
677S88.8Confident87.7Confident24 Ų2439.2 Ų39.217%0.16822%0.218CC..EExtended strand (participates in β ladder)trans-140.3131.9174-178.40000111.3G656 T657 G679 K683G656-S677 CarbonylContact C-O 3.43Å; G656-S677 WeakPolarHBondContact CA-O 3.16Å; T657-S677 PolarHBondContact N-O 2.84Å; T657-S677 PolarHBondContact O-N 3.26Å; T657-S677 PolarHBondContact OG1-O 3.31Å; S677-G679 PolarHBondContact O-N 3.31Å; S677-G679 PolarHBondContact OG-N 2.99Å; S677-K683 WeakPolarHBondContact CA-O 3.3Å
678S84.4Confident87.8Confident65 Ų6536 Ų3646%0.45520%0.197SC..SBendtrans-80.5-0.3175.3-173.40000113.5K683S678-K683 PolarHBondContact N-O 2.94Å
679G78.8Confident88.1Confident31 Ų3132.8 Ų32.832%0.3218%0.18SC..  trans126.2177.1-178.900000113.3S677 R681 G682S677-G679 PolarHBondContact O-N 3.31Å; S677-G679 PolarHBondContact OG-N 2.99Å; G679-R681 VanDerWaalsContact C-N 3.26Å; G679-R681 PolarHBondContact O-N 3.22Å; G679-G682 PolarHBondContact O-N 3.32Å
680S68.3Low88.3Confident108 Ų10834.7 Ų34.776%0.75519%0.186SC*.THydrogen-bonded Turntrans-62.2-27.7-17357.70000114.6K745S680-K745 PolarHBondContact O-NZ 3.43Å
681R66.7Low88.2Confident196 Ų19632.5 Ų32.574%0.7417%0.174SC*.THydrogen-bonded Turntrans-107.86.1174.8-53.1-172.6-151.2-175.35.8113.5G679G679-R681 VanDerWaalsContact C-N 3.26Å; G679-R681 PolarHBondContact O-N 3.22Å
682G75.8Confident88.1Confident8 Ų833.8 Ų33.88%0.08218%0.179CC..SBendtrans-97.9-174.4-179.800000112.7G679G679-G682 PolarHBondContact O-N 3.32Å
683K84.8Confident87.9Confident37 Ų3734.5 Ų34.516%0.16118%0.183CC..  trans-75.2150.8173.5-61.6-173.1-174.9-175.90111.7W676 S677 S678 A747 C748 C751 V754W676-K683 HydrophobicContact CZ3-CB 4.16Å; S677-K683 WeakPolarHBondContact CA-O 3.3Å; S678-K683 PolarHBondContact N-O 2.94Å; K683-A747 HydrophobicContact CG-CB 4.21Å; K683-C748 VanDerWaalsContact CE-O 3.28Å; K683-C748 WeakPolarHBondContact CE-O 3.19Å; K683-C748 PolarHBondContact NZ-O 3.31Å; K683-C751 WeakPolarHBondContact CE-O 3.38Å; K683-C751 PolarHBondContact NZ-O 3.18Å; K683-V754 HydrophobicContact CG-CG2 3.81Å
684S88.6Confident87.6Confident16 Ų1638.3 Ų38.311%0.11220%0.201CC..EExtended strand (participates in β ladder)trans-136.3144165.913.30000109.9W676 D737W676-S684 WeakPolarHBondContact O-CA 3.36Å; W676-S684 WeakPolarHBondContact O-CB 3.12Å; S684-D737 WeakPolarHBondContact CB-OD2 3.46Å; S684-D737 PolarHBondContact OG-OD2 3.46Å
685Y90.3Very high87.2Confident38 Ų3840 Ų4015%0.14921%0.212CC..EExtended strand (participates in β ladder)trans-156.514517154.3-93.2000111.1W676 L687 N707W676-Y685 HydrophobicContact CD2-CE1 4.32Å; W676-Y685 AromaticContact CE3-CD1 3.86Å; W676-Y685 HydrophobicContact CE3-CD1 3.86Å; W676-Y685 AromaticContact CE3-CE1 3.31Å; W676-Y685 HydrophobicContact CE3-CE1 3.31Å; W676-Y685 AromaticContact CE3-CZ 3.74Å; W676-Y685 HydrophobicContact CZ3-CD1 4.15Å; W676-Y685 AromaticContact CZ3-CE1 3.47Å; W676-Y685 HydrophobicContact CZ3-CE1 3.47Å; W676-Y685 VanDerWaalsContact CZ3-CE1 3.47Å; W676-Y685 PolarHBondContact N-O 3.35Å; W676-Y685 VanDerWaalsContact N-O 3.08Å; W676-Y685 PolarHBondContact O-N 3.46Å; W676-Y685 VanDerWaalsContact O-N 3.07Å; Y685-L687 HydrophobicContact CE2-CD2 4.19Å; Y685-N707 WeakPolarHBondContact CD2-OD1 3.36Å
686P92.6Very high86.7Confident5 Ų541.3 Ų41.33%0.03222%0.222CC..EExtended strand (participates in β ladder)trans-71.1151169.729.6-32.2000110.5Y661 V674 C706 H716Y661-P686 HydrophobicContact CD1-CB 3.86Å; Y661-P686 HydrophobicContact CE1-CB 3.98Å; Y661-P686 HydrophobicContact CE1-CG 4.41Å; Y661-P686 HydrophobicContact CG-CB 4.2Å; V674-P686 CarbonylContact O-C 3.58Å; V674-P686 WeakPolarHBondContact O-CA 3.45Å; P686-C706 HydrophobicContact CG-CB 4.31Å; P686-C706 VanDerWaalsContact O-CB 3.25Å; P686-C706 WeakPolarHBondContact O-CB 3.27Å; P686-C706 PolarHBondContact O-N 3.47Å; P686-H716 HydrophobicContact CG-CB 3.74Å
687L93.6Very high86.3Confident0 Ų042.8 Ų42.80%023%0.23CC..EExtended strand (participates in β ladder)trans-144.3146.5172.670.1112.6000111.5L652 P653 V674 W676 Y685 Y692 C706L652-L687 HydrophobicContact CD2-CD1 3.94Å; P653-L687 HydrophobicContact CG-CD2 3.53Å; V674-L687 HydrophobicContact CG2-CD1 3.88Å; V674-L687 HydrophobicContact CG2-CD2 4.19Å; V674-L687 HydrophobicContact CG2-CG 3.73Å; V674-L687 PolarHBondContact N-O 3.43Å; V674-L687 PolarHBondContact O-N 2.9Å; W676-L687 HydrophobicContact CB-CD2 3.85Å; Y685-L687 HydrophobicContact CE2-CD2 4.19Å; L687-Y692 HydrophobicContact CD1-CD2 3.95Å; L687-Y692 HydrophobicContact CD1-CG 3.95Å; L687-C706 VanDerWaalsContact CA-SG 3.57Å
688C94.8Very high85.8Confident2 Ų253.6 Ų53.61%0.01427%0.267CS..  trans-85125.2166.7169.50000109C666 D669 L673 Y690 C691 Y692 C706C666-C688 HydrophobicContact CB-CB 3.97Å; D669-C688 PolarHBondContact OD1-SG 3.04Å; D669-C688 PolarHBondContact OD2-SG 3.11Å; L673-C688 HydrophobicContact CD2-CB 3.64Å; C688-Y690 PolarHBondContact O-N 3.17Å; C688-Y690 PolarHBondContact SG-N 2.9Å; C688-C691 HydrophobicContact CB-CB 3.96Å; C688-C691 PolarHBondContact O-N 3.16Å; C688-C691 PolarHBondContact SG-N 3.03Å; C688-Y692 VanDerWaalsContact O-CB 3.25Å; C688-Y692 WeakPolarHBondContact O-CB 3.43Å; C688-Y692 PolarHBondContact O-N 3.42Å; C688-C706 PolarHBondContact N-SG 3.29Å
689P94.3Very high85.4Confident0 Ų057.2 Ų57.20%028%0.281CS..Hα-helixtrans-55.9-36.5177.7-26.234.8000113.3M631 L641 Y650 F671 E672 V674 N693M631-P689 HydrophobicContact CE-CB 4.36Å; M631-P689 HydrophobicContact CE-CG 4.18Å; L641-P689 HydrophobicContact CD1-CB 4.06Å; L641-P689 HydrophobicContact CD1-CG 3.66Å; Y650-P689 HydrophobicContact CG-CB 4.32Å; F671-P689 HydrophobicContact CD1-CB 4.45Å; E672-P689 WeakPolarHBondContact O-CD 2.97Å; V674-P689 HydrophobicContact CG2-CG 4.37Å; P689-N693 PolarHBondContact O-ND2 2.92Å
690Y94.2Very high85.4Confident70 Ų7056.3 Ų56.328%0.27527%0.269SS..Hα-helixtrans-72.9-56.7-179.9-170.6-100.3000111.7Y650 D669 F671 C688 Y692 N693 H694Y650-Y690 AromaticContact CE1-CD2 3.78Å; Y650-Y690 HydrophobicContact CE1-CD2 3.78Å; Y650-Y690 HydrophobicContact CE1-CE2 4.46Å; D669-Y690 HydrophobicContact CB-CD1 4Å; F671-Y690 HydrophobicContact CD2-CG 4.17Å; F671-Y690 AromaticContact CE2-CD2 3.89Å; F671-Y690 HydrophobicContact CE2-CD2 3.89Å; F671-Y690 AromaticContact CE2-CG 3.86Å; F671-Y690 HydrophobicContact CE2-CG 3.86Å; F671-Y690 AromaticContact CZ-CD2 3.97Å; F671-Y690 HydrophobicContact CZ-CD2 3.97Å; F671-Y690 HydrophobicContact CZ-CG 4.3Å; C688-Y690 PolarHBondContact O-N 3.17Å; C688-Y690 PolarHBondContact SG-N 2.9Å; Y690-Y692 PolarHBondContact O-N 3.15Å; Y690-N693 PolarHBondContact O-N 3.29Å; Y690-H694 HydrophobicContact CD1-CB 4.38Å; Y690-H694 AromaticContact CD2-ND1 3.64Å; Y690-H694 HydrophobicContact CE1-CB 4.02Å; Y690-H694 HydrophobicContact CE2-CB 4.42Å; Y690-H694 AromaticContact CE2-ND1 3.45Å; Y690-H694 WeakPolarHBondContact CE2-ND1 3.41Å; Y690-H694 AromaticContact CZ-ND1 3.92Å; Y690-H694 PolarHBondContact O-N 3.03Å
691C92.1Very high86Confident9 Ų958.5 Ų58.56%0.06126%0.264CS..Hα-helixtrans-57.4-33.4178.5-69.40000113.6D669 C688 N693 H694 P695 M700D669-C691 PolarHBondContact OD2-SG 3.21Å; C688-C691 HydrophobicContact CB-CB 3.96Å; C688-C691 PolarHBondContact O-N 3.16Å; C688-C691 PolarHBondContact SG-N 3.03Å; C691-N693 VanDerWaalsContact C-N 3.28Å; C691-N693 PolarHBondContact O-N 3.5Å; C691-H694 WeakPolarHBondContact CA-O 3.4Å; C691-H694 CarbonylContact O-C 3.53Å; C691-P695 WeakPolarHBondContact O-CA 3.39Å; C691-M700 HydrophobicContact CB-CE 4.38Å
692Y92.6Very high86.8Confident31 Ų3157 Ų5712%0.12226%0.263CS..Hα-helixtrans-62.3-36177-175.9-91.2000112.5T651 P653 L687 C688 Y690 G703 M704T651-Y692 VanDerWaalsContact O-CD1 3.27Å; T651-Y692 WeakPolarHBondContact O-CD1 3.5Å; P653-Y692 WeakPolarHBondContact CA-OH 3.48Å; P653-Y692 HydrophobicContact CB-CE2 4.36Å; P653-Y692 HydrophobicContact CG-CD2 4.44Å; P653-Y692 HydrophobicContact CG-CE2 3.61Å; L687-Y692 HydrophobicContact CD1-CD2 3.95Å; L687-Y692 HydrophobicContact CD1-CG 3.95Å; C688-Y692 VanDerWaalsContact O-CB 3.25Å; C688-Y692 WeakPolarHBondContact O-CB 3.43Å; C688-Y692 PolarHBondContact O-N 3.42Å; Y690-Y692 PolarHBondContact O-N 3.15Å; Y692-G703 VanDerWaalsContact CE2-CA 3.41Å; Y692-G703 WeakPolarHBondContact CE2-O 3.09Å; Y692-G703 VanDerWaalsContact CZ-CA 3.44Å; Y692-G703 PolarHBondContact O-N 2.89Å; Y692-M704 WeakPolarHBondContact CD2-O 3.19Å
693N90.6Very high87.3Confident20 Ų2058 Ų5811%0.10727%0.274CS..Hα-helixtrans-93.6-29.4-179.6-71.8-90.6000112.5Y650 T651 P689 Y690 C691 K702Y650-N693 HydrophobicContact CD1-CB 4.48Å; T651-N693 WeakPolarHBondContact CB-OD1 3.23Å; T651-N693 PolarHBondContact N-ND2 2.71Å; T651-N693 PolarHBondContact N-OD1 2.91Å; T651-N693 PolarHBondContact O-ND2 2.98Å; T651-N693 PolarHBondContact OG1-OD1 3.47Å; P689-N693 PolarHBondContact O-ND2 2.92Å; Y690-N693 PolarHBondContact O-N 3.29Å; C691-N693 VanDerWaalsContact C-N 3.28Å; C691-N693 PolarHBondContact O-N 3.5Å; N693-K702 VanDerWaalsContact O-CE 3.29Å; N693-K702 WeakPolarHBondContact O-CE 3.18Å
694H89.8Confident87.4Confident85 Ų8557.4 Ų57.439%0.39427%0.272SS..SBendtrans-130.679.2-176.8-52.7101.7000109.5Y690 C691 P696Y690-H694 HydrophobicContact CD1-CB 4.38Å; Y690-H694 AromaticContact CD2-ND1 3.64Å; Y690-H694 HydrophobicContact CE1-CB 4.02Å; Y690-H694 HydrophobicContact CE2-CB 4.42Å; Y690-H694 AromaticContact CE2-ND1 3.45Å; Y690-H694 WeakPolarHBondContact CE2-ND1 3.41Å; Y690-H694 AromaticContact CZ-ND1 3.92Å; Y690-H694 PolarHBondContact O-N 3.03Å; C691-H694 WeakPolarHBondContact CA-O 3.4Å; C691-H694 CarbonylContact O-C 3.53Å; H694-P696 WeakPolarHBondContact O-CD 3.35Å
695P86.5Confident87.5Confident35 Ų3556.7 Ų56.723%0.22727%0.267CS..  trans-58.7124.1-178.3-2332.3000111.2C691 F697 M700 K702C691-P695 WeakPolarHBondContact O-CA 3.39Å; P695-F697 VanDerWaalsContact C-N 3.29Å; P695-F697 PolarHBondContact O-N 2.84Å; P695-M700 HydrophobicContact CB-CB 3.89Å; P695-M700 HydrophobicContact CB-CG 3.92Å; P695-M700 WeakPolarHBondContact CB-O 3.2Å; P695-M700 HydrophobicContact CB-SD 4.32Å; P695-K702 HydrophobicContact CG-CB 4.43Å; P695-K702 HydrophobicContact CG-CG 3.93Å; P695-K702 VanDerWaalsContact CG-N 3.34Å
696P81.4Confident87.5Confident61 Ų6155.2 Ų55.240%0.39626%0.262SS..SBendtrans-78-11.8-17628.6-34.3000113.8L668 H694L668-P696 HydrophobicContact CD1-CB 4.38Å; L668-P696 HydrophobicContact CD1-CG 3.9Å; H694-P696 WeakPolarHBondContact O-CD 3.35Å
697F83.8Confident87.3Confident58 Ų5855.7 Ų55.725%0.25427%0.265SS..SBendtrans-122.7149.3-174.9-48.9-60000111.5L668 P695 D699 M700 T710 H711L668-F697 HydrophobicContact CD1-CE2 4.17Å; L668-F697 HydrophobicContact CD1-CZ 3.8Å; P695-F697 VanDerWaalsContact C-N 3.29Å; P695-F697 PolarHBondContact O-N 2.84Å; F697-D699 PolarHBondContact O-N 2.85Å; F697-M700 HydrophobicContact CB-CB 4.31Å; F697-M700 PolarHBondContact O-N 2.92Å; F697-M700 VanDerWaalsContact O-N 3.16Å; F697-T710 WeakPolarHBondContact CD2-OG1 3.25Å; F697-H711 HydrophobicContact CE2-CB 4.02Å; F697-H711 HydrophobicContact CZ-CB 3.73Å; F697-H711 AromaticContact CZ-CD2 3.71Å
698R77.8Confident87Confident250 Ų25057.1 Ų57.194%0.94327%0.272SS*.THydrogen-bonded Turntrans-59.5-33.3179.6-72.9-174.9176.2-174.9-0.3113.2M700R698-M700 VanDerWaalsContact C-N 3.34Å
699D75.4Confident86.7Confident141 Ų14157.4 Ų57.475%0.75427%0.274SS*.THydrogen-bonded Turntrans-86.4-8.7-176.6-53.7-39.6000113F697F697-D699 PolarHBondContact O-N 2.85Å
700M80.2Confident86.4Confident13 Ų1360.9 Ų60.96%0.06430%0.295CS..PPolyproline II helixtrans-95.8123.4177.4-167.4-179.3177.400109.7C691 P695 F697 R698 M704C691-M700 HydrophobicContact CB-CE 4.38Å; P695-M700 HydrophobicContact CB-CB 3.89Å; P695-M700 HydrophobicContact CB-CG 3.92Å; P695-M700 WeakPolarHBondContact CB-O 3.2Å; P695-M700 HydrophobicContact CB-SD 4.32Å; F697-M700 HydrophobicContact CB-CB 4.31Å; F697-M700 PolarHBondContact O-N 2.92Å; F697-M700 VanDerWaalsContact O-N 3.16Å; R698-M700 VanDerWaalsContact C-N 3.34Å; M700-M704 HydrophobicContact CB-SD 4.32Å; M700-M704 HydrophobicContact CE-CB 3.67Å; M700-M704 VanDerWaalsContact CE-O 3.22Å; M700-M704 WeakPolarHBondContact CE-O 3.46Å; M700-M704 HydrophobicContact CG-CB 3.85Å; M700-M704 HydrophobicContact CG-CG 4.39Å; M700-M704 HydrophobicContact CG-SD 3.79Å
701K80.7Confident86Confident153 Ų15359.7 Ų59.767%0.66529%0.291SS*.PPolyproline II helixtrans-94.1159.2175.4-58.6-177.6179.1178.10110.7G703 M704K701-G703 PolarHBondContact O-N 3.5Å; K701-M704 HydrophobicContact CB-CE 3.92Å; K701-M704 HydrophobicContact CB-SD 4.29Å; K701-M704 HydrophobicContact CD-CE 4.5Å; K701-M704 HydrophobicContact CG-CE 4.11Å; K701-M704 PolarHBondContact N-SD 3.5Å; K701-M704 WeakPolarHBondContact O-CB 3.47Å; K701-M704 VanDerWaalsContact O-CG 3.28Å; K701-M704 WeakPolarHBondContact O-CG 3.43Å; K701-M704 PolarHBondContact O-N 2.99Å
702K84Confident85.6Confident164 Ų16464 Ų6471%0.71332%0.319SS*.THydrogen-bonded Turntrans-55.9137.2172-71.3-173.5177.9-174.70109.5N693 P695N693-K702 VanDerWaalsContact O-CE 3.29Å; N693-K702 WeakPolarHBondContact O-CE 3.18Å; P695-K702 HydrophobicContact CG-CB 4.43Å; P695-K702 HydrophobicContact CG-CG 3.93Å; P695-K702 VanDerWaalsContact CG-N 3.34Å
703G84.8Confident85.3Confident31 Ų3165.6 Ų65.632%0.3234%0.335SS..THydrogen-bonded Turntrans93.15.5-178.500000115.6Y692 K701Y692-G703 VanDerWaalsContact CE2-CA 3.41Å; Y692-G703 WeakPolarHBondContact CE2-O 3.09Å; Y692-G703 VanDerWaalsContact CZ-CA 3.44Å; Y692-G703 PolarHBondContact O-N 2.89Å; K701-G703 PolarHBondContact O-N 3.5Å
704M87.3Confident85.2Confident23 Ų2365 Ų6511%0.11333%0.333CS..  trans-89.6137.4178.3-71.8-176.1172.300112.3Y692 M700 K701 E708 K750Y692-M704 WeakPolarHBondContact CD2-O 3.19Å; M700-M704 HydrophobicContact CB-SD 4.32Å; M700-M704 HydrophobicContact CE-CB 3.67Å; M700-M704 VanDerWaalsContact CE-O 3.22Å; M700-M704 WeakPolarHBondContact CE-O 3.46Å; M700-M704 HydrophobicContact CG-CB 3.85Å; M700-M704 HydrophobicContact CG-CG 4.39Å; M700-M704 HydrophobicContact CG-SD 3.79Å; K701-M704 HydrophobicContact CB-CE 3.92Å; K701-M704 HydrophobicContact CB-SD 4.29Å; K701-M704 HydrophobicContact CD-CE 4.5Å; K701-M704 HydrophobicContact CG-CE 4.11Å; K701-M704 PolarHBondContact N-SD 3.5Å; K701-M704 WeakPolarHBondContact O-CB 3.47Å; K701-M704 VanDerWaalsContact O-CG 3.28Å; K701-M704 WeakPolarHBondContact O-CG 3.43Å; K701-M704 PolarHBondContact O-N 2.99Å; M704-E708 HydrophobicContact CB-CB 4.12Å; M704-E708 VanDerWaalsContact CE-OE2 3.24Å; M704-E708 WeakPolarHBondContact CE-OE2 3.28Å; M704-E708 HydrophobicContact CG-CB 4.41Å; M704-E708 HydrophobicContact SD-CB 4.24Å; M704-E708 VanDerWaalsContact SD-OE2 3.34Å; M704-K750 VanDerWaalsContact CE-NZ 3.32Å
705G89.9Confident85.1Confident1 Ų167.2 Ų67.21%0.0134%0.343CS..  trans-82.7178.4176.600000113.5N707 E708G705-N707 WeakPolarHBondContact CA-OD1 3.29Å; G705-N707 PolarHBondContact O-N 3.17Å; G705-E708 PolarHBondContact O-N 3.01Å; G705-E708 VanDerWaalsContact O-N 3.08Å
706C91.1Very high85.3Confident7 Ų766.3 Ų66.35%0.04734%0.336CS..G310 helixtrans-64.6-25.8178.1-70.60000112.7P686 L687 C688 E708 C709 H716P686-C706 HydrophobicContact CG-CB 4.31Å; P686-C706 VanDerWaalsContact O-CB 3.25Å; P686-C706 WeakPolarHBondContact O-CB 3.27Å; P686-C706 PolarHBondContact O-N 3.47Å; L687-C706 VanDerWaalsContact CA-SG 3.57Å; C688-C706 PolarHBondContact N-SG 3.29Å; C706-E708 PolarHBondContact O-N 2.84Å; C706-C709 WeakPolarHBondContact O-CB 3.45Å; C706-C709 PolarHBondContact O-N 3.14Å; C706-H716 CarbonylContact C-O 3.58Å; C706-H716 VanDerWaalsContact C-O 3.22Å; C706-H716 HydrophobicContact CB-CB 3.8Å; C706-H716 CarbonylContact O-C 3.58Å
707N87.9Confident85.6Confident16 Ų1663.4 Ų63.49%0.08632%0.317CS..G310 helixtrans-63-6.6172.863.7-51.6000114.2Y685 G705 H716 V735Y685-N707 WeakPolarHBondContact CD2-OD1 3.36Å; G705-N707 WeakPolarHBondContact CA-OD1 3.29Å; G705-N707 PolarHBondContact O-N 3.17Å; N707-H716 PolarHBondContact N-O 2.94Å; N707-V735 HydrophobicContact CB-CG1 4.24Å
708E87.8Confident85.8Confident30 Ų3062.8 Ų62.814%0.1432%0.316CS..G310 helixtrans-117.54.1171.7-63.9-176.1-113.200112.2M704 G705 C706 N749 K750M704-E708 HydrophobicContact CB-CB 4.12Å; M704-E708 VanDerWaalsContact CE-OE2 3.24Å; M704-E708 WeakPolarHBondContact CE-OE2 3.28Å; M704-E708 HydrophobicContact CG-CB 4.41Å; M704-E708 HydrophobicContact SD-CB 4.24Å; M704-E708 VanDerWaalsContact SD-OE2 3.34Å; G705-E708 PolarHBondContact O-N 3.01Å; G705-E708 VanDerWaalsContact O-N 3.08Å; C706-E708 PolarHBondContact O-N 2.84Å; E708-N749 HydrophobicContact CG-CB 3.98Å; E708-K750 IonicContact OE2-NZ 3.69Å; E708-K750 PolarHBondContact OE2-NZ 2.89Å
709C88.8Confident86.1Confident8 Ų854.8 Ų54.85%0.05430%0.299CS..  trans-70.5138.5175.4-177.20000109.8C706 H711 S717 L718C706-C709 WeakPolarHBondContact O-CB 3.45Å; C706-C709 PolarHBondContact O-N 3.14Å; C709-H711 PolarHBondContact SG-N 3.36Å; C709-H711 VanDerWaalsContact SG-N 3.42Å; C709-S717 CarbonylContact O-C 3.6Å; C709-S717 VanDerWaalsContact O-CA 3.24Å; C709-S717 WeakPolarHBondContact O-CA 3.41Å; C709-S717 WeakPolarHBondContact O-CB 3.27Å; C709-L718 PolarHBondContact O-N 3.03Å
710T87.2Confident86.6Confident72 Ų7252.7 Ų52.744%0.44229%0.285SS..  trans-105.77.5178.252.40000112.8F697F697-T710 WeakPolarHBondContact CD2-OG1 3.25Å
711H87Confident87.1Confident45 Ų4553.2 Ų53.221%0.20829%0.288CS..  trans-74.2125.2-179.1-161.5-98.5000111.6L668 F697 C709 S713 C714 S717L668-H711 HydrophobicContact CD1-CB 4.14Å; L668-H711 WeakPolarHBondContact CD2-CD2 3.48Å; L668-H711 WeakPolarHBondContact CD2-NE2 3.48Å; F697-H711 HydrophobicContact CE2-CB 4.02Å; F697-H711 HydrophobicContact CZ-CB 3.73Å; F697-H711 AromaticContact CZ-CD2 3.71Å; C709-H711 PolarHBondContact SG-N 3.36Å; C709-H711 VanDerWaalsContact SG-N 3.42Å; H711-S713 VanDerWaalsContact C-N 3.29Å; H711-S713 PolarHBondContact CE1-OG 3.12Å; H711-S713 PolarHBondContact ND1-N 3.12Å; H711-S713 PolarHBondContact ND1-OG 3.12Å; H711-S713 PolarHBondContact O-N 2.92Å; H711-C714 HydrophobicContact CB-CB 4.18Å; H711-C714 WeakPolarHBondContact O-CB 3.39Å; H711-C714 PolarHBondContact O-N 3.2Å; H711-S717 WeakPolarHBondContact O-CB 3.4Å
712P82.6Confident87.5Confident100 Ų10046.6 Ų46.665%0.64926%0.263SS*.THydrogen-bonded Turntrans-65.1-28.8-172.724.2-34.3000113.7C714P712-C714 VanDerWaalsContact C-N 3.33Å
713S86.6Confident87.7Confident65 Ų6539.1 Ų39.146%0.45523%0.231SC..THydrogen-bonded Turntrans-83.5-6.6176.974.20000114.1P667 H711 Q715P667-S713 WeakPolarHBondContact CB-OG 3.46Å; P667-S713 WeakPolarHBondContact CG-OG 3.26Å; H711-S713 VanDerWaalsContact C-N 3.29Å; H711-S713 PolarHBondContact CE1-OG 3.12Å; H711-S713 PolarHBondContact ND1-N 3.12Å; H711-S713 PolarHBondContact ND1-OG 3.12Å; H711-S713 PolarHBondContact O-N 2.92Å; S713-Q715 PolarHBondContact O-N 2.86Å
714C88.5Confident87.8Confident7 Ų738.3 Ų38.35%0.04722%0.223CC..  trans-80.3112.5176.7-178.70000109.4P667 H711 P712 H716 S717P667-C714 HydrophobicContact CG-CB 4.3Å; H711-C714 HydrophobicContact CB-CB 4.18Å; H711-C714 WeakPolarHBondContact O-CB 3.39Å; H711-C714 PolarHBondContact O-N 3.2Å; P712-C714 VanDerWaalsContact C-N 3.33Å; C714-H716 PolarHBondContact O-N 3.29Å; C714-S717 VanDerWaalsContact O-CB 3.24Å; C714-S717 WeakPolarHBondContact O-CB 3.48Å; C714-S717 PolarHBondContact O-N 3.26Å; C714-S717 PolarHBondContact O-OG 2.97Å
715Q87Confident87.8Confident132 Ų13243.5 Ų43.562%0.61725%0.247SC*.THydrogen-bonded Turntrans-62.7-12.2178-63.2-178.7-300114S713S713-Q715 PolarHBondContact O-N 2.86Å
716H90.8Very high87.5Confident15 Ų1543.8 Ų43.87%0.06925%0.248CC..THydrogen-bonded Turntrans-110.36.1178.9-56-46.8000113.3Y661 P686 C706 N707 C714 L721Y661-H716 AromaticContact CE1-CD2 3.93Å; Y661-H716 AromaticContact CE1-CE1 3.84Å; Y661-H716 AromaticContact CE1-NE2 3.31Å; Y661-H716 VanDerWaalsContact CE1-NE2 3.31Å; Y661-H716 WeakPolarHBondContact CE1-NE2 3.43Å; Y661-H716 AromaticContact CZ-NE2 3.97Å; Y661-H716 PolarHBondContact OH-CE1 3.47Å; P686-H716 HydrophobicContact CG-CB 3.74Å; C706-H716 CarbonylContact C-O 3.58Å; C706-H716 VanDerWaalsContact C-O 3.22Å; C706-H716 HydrophobicContact CB-CB 3.8Å; C706-H716 CarbonylContact O-C 3.58Å; N707-H716 PolarHBondContact N-O 2.94Å; C714-H716 PolarHBondContact O-N 3.29Å; H716-L721 HydrophobicContact CB-CD1 4.36Å
717S89.3Confident87Confident0 Ų047.6 Ų47.60%027%0.272CS..SBendtrans-60.8158.4177.656.60000112.1C709 H711 C714 S719 M720 L721C709-S717 CarbonylContact O-C 3.6Å; C709-S717 VanDerWaalsContact O-CA 3.24Å; C709-S717 WeakPolarHBondContact O-CA 3.41Å; C709-S717 WeakPolarHBondContact O-CB 3.27Å; H711-S717 WeakPolarHBondContact O-CB 3.4Å; C714-S717 VanDerWaalsContact O-CB 3.24Å; C714-S717 WeakPolarHBondContact O-CB 3.48Å; C714-S717 PolarHBondContact O-N 3.26Å; C714-S717 PolarHBondContact O-OG 2.97Å; S717-S719 PolarHBondContact O-N 3.13Å; S717-S719 PolarHBondContact OG-OG 3.35Å; S717-M720 PolarHBondContact O-N 3.41Å; S717-M720 VanDerWaalsContact O-N 3.12Å; S717-M720 WeakPolarHBondContact OG-CG 3.49Å; S717-M720 PolarHBondContact OG-N 2.93Å; S717-L721 PolarHBondContact O-N 3.39Å
718L86.8Confident86.7Confident45 Ų4552.4 Ų52.424%0.23629%0.294CS..Hα-helixtrans-57.7-36.4171.8-175.762.5000111.8C709 M720 G722 V733 V735C709-L718 PolarHBondContact O-N 3.03Å; L718-M720 VanDerWaalsContact C-N 3.3Å; L718-M720 PolarHBondContact O-N 2.89Å; L718-G722 WeakPolarHBondContact O-CA 3.38Å; L718-G722 PolarHBondContact O-N 3.07Å; L718-V733 HydrophobicContact CD1-CB 3.88Å; L718-V733 HydrophobicContact CD1-CG1 3.77Å; L718-V733 HydrophobicContact CD1-CG2 4.4Å; L718-V735 HydrophobicContact CD1-CG2 3.72Å
719S84.1Confident86.5Confident83 Ų8352.3 Ų52.358%0.5830%0.296SS*.Hα-helixtrans-67.4-27.7177.544.80000113.7S717S717-S719 PolarHBondContact O-N 3.13Å; S717-S719 PolarHBondContact OG-OG 3.35Å
720M86.6Confident86Confident97 Ų9760.6 Ų60.648%0.47833%0.334SS..Hα-helixtrans-92.7-31.1-177.9-69-66.1-61.300113.3S717 L718S717-M720 PolarHBondContact O-N 3.41Å; S717-M720 VanDerWaalsContact O-N 3.12Å; S717-M720 WeakPolarHBondContact OG-CG 3.49Å; S717-M720 PolarHBondContact OG-N 2.93Å; L718-M720 VanDerWaalsContact C-N 3.3Å; L718-M720 PolarHBondContact O-N 2.89Å
721L90.1Very high85.7Confident23 Ų2361.6 Ų61.612%0.1234%0.343CS..Hα-helixtrans-117.9-5.1-173.4-63.3-179.6000114H716 S717 V735 L736 P738H716-L721 HydrophobicContact CB-CD1 4.36Å; S717-L721 PolarHBondContact O-N 3.39Å; L721-V735 HydrophobicContact CB-CG1 3.61Å; L721-V735 WeakPolarHBondContact O-CA 3.29Å; L721-L736 PolarHBondContact O-N 3.31Å; L721-P738 HydrophobicContact CD1-CG 4.04Å
722G89.6Confident85.7Confident14 Ų1459.5 Ų59.514%0.14433%0.334CS..EExtended strand (participates in β ladder)trans-72.2135.8177.500000111.6L718L718-G722 WeakPolarHBondContact O-CA 3.38Å; L718-G722 PolarHBondContact O-N 3.07Å
723I89.1Confident86Confident8 Ų856.6 Ų56.64%0.04132%0.315CS..EExtended strand (participates in β ladder)trans-105.4-56.9-177.6-57.9175.8000110.2L734 L736 V746 V766 A776 A777 L779 V801 F802I723-L734 PolarHBondContact N-O 3.13Å; I723-L736 HydrophobicContact CD1-CB 4.33Å; I723-V746 HydrophobicContact CD1-CB 4.32Å; I723-V746 HydrophobicContact CD1-CG1 3.7Å; I723-V746 HydrophobicContact CD1-CG2 3.58Å; I723-V766 HydrophobicContact CG1-CG2 4.23Å; I723-A776 CarbonylContact O-C 3.6Å; I723-A776 VanDerWaalsContact O-CA 3.22Å; I723-A776 WeakPolarHBondContact O-CA 3.27Å; I723-A776 WeakPolarHBondContact O-CB 3.32Å; I723-A777 PolarHBondContact O-N 3.09Å; I723-L779 HydrophobicContact CD1-CD1 4.07Å; I723-L779 HydrophobicContact CD1-CD2 3.94Å; I723-L779 HydrophobicContact CD1-CG 4.43Å; I723-L779 HydrophobicContact CG1-CD2 4.1Å; I723-V801 HydrophobicContact CG2-CG2 4.3Å; I723-F802 HydrophobicContact CG2-CE2 4.33Å
724G85.8Confident86.1Confident14 Ų1453.9 Ų53.914%0.14430%0.295CS..EExtended strand (participates in β ladder)trans-174.3174.6-17600000112.4V733 L734G724-V733 WeakPolarHBondContact O-CG1 3.38Å; G724-L734 PolarHBondContact O-N 3.11Å
725Q86.5Confident86.2Confident131 Ų13154 Ų5461%0.61230%0.295SS*.EExtended strand (participates in β ladder)trans-61.2141.8-179.1-166.5175.616.300111.3E730Q725-E730 PolarHBondContact NE2-O 2.8Å
726C84.9Confident86.4Confident7 Ų748 Ų485%0.04727%0.267CS..  trans-71.6132.5177.7-177.30000111.1E728 G732 L734 C748C726-E728 VanDerWaalsContact C-N 3.25Å; C726-E728 PolarHBondContact O-N 3.23Å; C726-G732 WeakPolarHBondContact CB-O 3.45Å; C726-G732 PolarHBondContact N-O 2.87Å; C726-L734 HydrophobicContact CB-CG 4.35Å; C726-C748 HydrophobicContact CB-CB 4.3Å; C726-C748 VanDerWaalsContact SG-SG 3.65Å
727V80.4Confident86.3Confident88 Ų8847.7 Ų47.753%0.53327%0.266SS..THydrogen-bonded Turntrans-66.7-21.6-179.9-59.80000114.3L813V727-L813 HydrophobicContact CG2-CD1 4.03Å
728E81Confident85.9Confident117 Ų11749.4 Ų49.455%0.54728%0.278SS..THydrogen-bonded Turntrans-103.7-11.5-176.8-67.6-63.8151.900114C726 V753C726-E728 VanDerWaalsContact C-N 3.25Å; C726-E728 PolarHBondContact O-N 3.23Å; E728-V753 HydrophobicContact CB-CG2 3.7Å; E728-V753 HydrophobicContact CG-CG2 3.48Å; E728-V753 VanDerWaalsContact CG-CG2 3.48Å
729C83.7Confident85.6Confident27 Ų2749.4 Ų49.418%0.18228%0.279CS..  trans-148.3135.3179.871.10000113.2S731 G732 C748 C751C729-S731 VanDerWaalsContact C-N 3.26Å; C729-S731 PolarHBondContact O-N 3.17Å; C729-G732 PolarHBondContact O-N 2.82Å; C729-G732 VanDerWaalsContact SG-CA 3.55Å; C729-C748 VanDerWaalsContact SG-SG 3.68Å; C729-C751 HydrophobicContact CB-CB 4.11Å
730E79Confident85.6Confident183 Ų18346.1 Ų46.186%0.85526%0.257SS*.THydrogen-bonded Turntrans-64.4-27-172.5-64.3-180171.800113.7Q725Q725-E730 PolarHBondContact NE2-O 2.8Å
731S81.5Confident85.2Confident92 Ų9243.2 Ų43.264%0.64325%0.251SS*.THydrogen-bonded Turntrans-106.22.9-175.259.10000114.7C729C729-S731 VanDerWaalsContact C-N 3.26Å; C729-S731 PolarHBondContact O-N 3.17Å
732G85.4Confident84.4Confident1 Ų146.7 Ų46.71%0.0128%0.275CS..  trans-98.8147.6-177.200000113.1C726 C729C726-G732 WeakPolarHBondContact CB-O 3.45Å; C726-G732 PolarHBondContact N-O 2.87Å; C729-G732 PolarHBondContact O-N 2.82Å; C729-G732 VanDerWaalsContact SG-CA 3.55Å
733V88.8Confident84.1Confident40 Ų4052.8 Ų52.824%0.24230%0.298CS..EExtended strand (participates in β ladder)trans-117.8138.3172.3-179.50000108.4L718 G724 C748 N749L718-V733 HydrophobicContact CD1-CB 3.88Å; L718-V733 HydrophobicContact CD1-CG1 3.77Å; L718-V733 HydrophobicContact CD1-CG2 4.4Å; G724-V733 WeakPolarHBondContact O-CG1 3.38Å; V733-C748 WeakPolarHBondContact O-CA 3.38Å; V733-N749 PolarHBondContact N-OD1 3.08Å; V733-N749 PolarHBondContact O-N 3.35Å; V733-N749 PolarHBondContact O-OD1 3.22Å
734L89.5Confident84Confident8 Ų853.6 Ų53.64%0.04230%0.3CS..EExtended strand (participates in β ladder)trans-77.9121.8173-74.5170.1000109.1I723 G724 C726 V746 C748 V753 F802I723-L734 PolarHBondContact N-O 3.13Å; G724-L734 PolarHBondContact O-N 3.11Å; C726-L734 HydrophobicContact CB-CG 4.35Å; L734-V746 HydrophobicContact CB-CG1 3.65Å; L734-V746 HydrophobicContact CD2-CG1 4.1Å; L734-V746 HydrophobicContact CG-CG1 4.36Å; L734-C748 HydrophobicContact CD2-CB 4.19Å; L734-V753 HydrophobicContact CD2-CG1 4.11Å; L734-F802 HydrophobicContact CD1-CE1 3.91Å; L734-F802 HydrophobicContact CD1-CZ 3.55Å
735V91.1Very high84.1Confident9 Ų953.9 Ų53.96%0.05530%0.298CS..EExtended strand (participates in β ladder)trans-119.2132.9-175.4-174.40000109.1N707 L718 L721 D737 V746 A747 N749N707-V735 HydrophobicContact CB-CG1 4.24Å; L718-V735 HydrophobicContact CD1-CG2 3.72Å; L721-V735 HydrophobicContact CB-CG1 3.61Å; L721-V735 WeakPolarHBondContact O-CA 3.29Å; V735-D737 PolarHBondContact O-N 3.39Å; V735-V746 WeakPolarHBondContact O-CA 3.48Å; V735-A747 PolarHBondContact N-O 2.74Å; V735-A747 PolarHBondContact O-N 2.98Å; V735-N749 HydrophobicContact CG2-CB 4.28Å
736L90.1Very high84.2Confident6 Ų648 Ų483%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-65130.4173.8-17965.6000110L721 I723 P738 W744 V746 V764 V766L721-L736 PolarHBondContact O-N 3.31Å; I723-L736 HydrophobicContact CD1-CB 4.33Å; L736-P738 WeakPolarHBondContact O-CD 3.32Å; L736-W744 HydrophobicContact CD1-CE3 4.31Å; L736-V746 HydrophobicContact CD1-CG2 4.18Å; L736-V764 HydrophobicContact CD1-CG1 3.94Å; L736-V764 HydrophobicContact CD2-CG1 4.06Å; L736-V766 HydrophobicContact CB-CG2 3.99Å; L736-V766 HydrophobicContact CD2-CG2 3.91Å
737D88Confident84.4Confident8 Ų848.1 Ų48.14%0.04327%0.272CS..EExtended strand (participates in β ladder)trans-87.8103.4170.4-178.6-8.6000109.6S684 V735 T739 S740 K745S684-D737 WeakPolarHBondContact CB-OD2 3.46Å; S684-D737 PolarHBondContact OG-OD2 3.46Å; V735-D737 PolarHBondContact O-N 3.39Å; D737-T739 PolarHBondContact O-N 3.43Å; D737-T739 WeakPolarHBondContact OD1-CA 3.35Å; D737-T739 WeakPolarHBondContact OD1-CB 3.32Å; D737-T739 PolarHBondContact OD1-N 3.45Å; D737-T739 PolarHBondContact OD1-OG1 2.98Å; D737-S740 WeakPolarHBondContact O-CB 3.26Å; D737-S740 PolarHBondContact O-N 3.07Å; D737-S740 PolarHBondContact O-OG 3.31Å; D737-K745 HydrophobicContact CB-CB 4.35Å; D737-K745 PolarHBondContact N-O 2.82Å
738P81.4Confident84.8Confident37 Ų3744 Ų4424%0.2425%0.247CC..THydrogen-bonded Turntrans-70.3-6.2-176.932.1-37.3000113L721 L736L721-P738 HydrophobicContact CD1-CG 4.04Å; L736-P738 WeakPolarHBondContact O-CD 3.32Å
739T81.8Confident85.1Confident44 Ų4439.2 Ų39.227%0.2723%0.226SC..THydrogen-bonded Turntrans-97.8-5.2-179.374.50000113.3Y661 L675 D737Y661-T739 HydrophobicContact CD2-CG2 4.37Å; Y661-T739 HydrophobicContact CE2-CG2 3.48Å; Y661-T739 VanDerWaalsContact CE2-CG2 3.48Å; L675-T739 HydrophobicContact CD1-CG2 3.98Å; L675-T739 HydrophobicContact CD2-CG2 4.33Å; D737-T739 PolarHBondContact O-N 3.43Å; D737-T739 WeakPolarHBondContact OD1-CA 3.35Å; D737-T739 WeakPolarHBondContact OD1-CB 3.32Å; D737-T739 PolarHBondContact OD1-N 3.45Å; D737-T739 PolarHBondContact OD1-OG1 2.98Å
740S83.6Confident85.1Confident15 Ų1542.4 Ų42.411%0.10524%0.236CC..  trans-85-14.2-171.862.40000114.9D737 K743 W744 K745D737-S740 WeakPolarHBondContact O-CB 3.26Å; D737-S740 PolarHBondContact O-N 3.07Å; D737-S740 PolarHBondContact O-OG 3.31Å; S740-K743 CarbonylContact O-C 3.53Å; S740-K743 WeakPolarHBondContact O-CA 3.34Å; S740-K743 PolarHBondContact O-N 2.87Å; S740-W744 WeakPolarHBondContact OG-CA 3.18Å; S740-K745 PolarHBondContact OG-N 3.23Å
741G78.8Confident85.3Confident36 Ų3635.2 Ų35.237%0.37121%0.206SC..THydrogen-bonded Turntrans-57140.6177.900000113
742P73.1Confident85.3Confident96 Ų9634.1 Ų34.162%0.62320%0.198SC*.THydrogen-bonded Turncis-85.33.56.135.1-37.1000114.7
743K82.3Confident85.3Confident142 Ų14234.2 Ų34.262%0.61720%0.199SC*.SBendtrans-104.671177.7-67.3-172177.2-171.10109.5S740S740-K743 CarbonylContact O-C 3.53Å; S740-K743 WeakPolarHBondContact O-CA 3.34Å; S740-K743 PolarHBondContact O-N 2.87Å
744W87.3Confident85.1Confident25 Ų2532.5 Ų32.510%0.09519%0.188CC..  trans-58142.4-169.3-62.494.4000112.8L736 S740 C757 A761 V764L736-W744 HydrophobicContact CD1-CE3 4.31Å; S740-W744 WeakPolarHBondContact OG-CA 3.18Å; W744-C757 WeakPolarHBondContact CB-O 3.27Å; W744-C757 PolarHBondContact O-N 2.87Å; W744-A761 PolarHBondContact NE1-O 3.47Å; W744-V764 HydrophobicContact CB-CG2 4.24Å; W744-V764 HydrophobicContact CD2-CB 3.77Å; W744-V764 HydrophobicContact CD2-CG2 3.54Å; W744-V764 HydrophobicContact CE3-CB 3.86Å; W744-V764 HydrophobicContact CE3-CG2 4.17Å; W744-V764 HydrophobicContact CG-CB 4.24Å; W744-V764 HydrophobicContact CG-CG2 3.56Å; W744-V764 HydrophobicContact CH2-CB 4.33Å; W744-V764 HydrophobicContact CZ2-CB 4.27Å; W744-V764 HydrophobicContact CZ2-CG2 4.3Å; W744-V764 HydrophobicContact CZ3-CB 4.13Å
745K88.3Confident84.8Confident20 Ų2032.5 Ų32.59%0.08719%0.19CC..EExtended strand (participates in β ladder)trans-134144.7-177.9-64.3173.6-175.8175.50111S680 D737 S740 V754 A755S680-K745 PolarHBondContact O-NZ 3.43Å; D737-K745 HydrophobicContact CB-CB 4.35Å; D737-K745 PolarHBondContact N-O 2.82Å; S740-K745 PolarHBondContact OG-N 3.23Å; K745-V754 HydrophobicContact CB-CG1 4.35Å; K745-V754 HydrophobicContact CD-CG1 4.21Å; K745-V754 HydrophobicContact CG-CG1 4.39Å; K745-A755 CarbonylContact C-O 3.55Å; K745-A755 VanDerWaalsContact CA-O 3.28Å; K745-A755 WeakPolarHBondContact CA-O 3.2Å
746V88.4Confident84.5Confident6 Ų634.2 Ų34.24%0.03620%0.197CC..EExtended strand (participates in β ladder)trans-118.9127.5166.6178.40000107.7I723 L734 V735 L736 V754 A755I723-V746 HydrophobicContact CD1-CB 4.32Å; I723-V746 HydrophobicContact CD1-CG1 3.7Å; I723-V746 HydrophobicContact CD1-CG2 3.58Å; L734-V746 HydrophobicContact CB-CG1 3.65Å; L734-V746 HydrophobicContact CD2-CG1 4.1Å; L734-V746 HydrophobicContact CG-CG1 4.36Å; V735-V746 WeakPolarHBondContact O-CA 3.48Å; L736-V746 HydrophobicContact CD1-CG2 4.18Å; V746-V754 CarbonylContact O-C 3.57Å; V746-V754 WeakPolarHBondContact O-CA 3.46Å; V746-A755 PolarHBondContact N-O 2.87Å; V746-A755 PolarHBondContact O-N 3.12Å
747A88.7Confident84.2Confident11 Ų1134.2 Ų34.29%0.09120%0.197CC..EExtended strand (participates in β ladder)trans-125.5144.6-177.300000111.4K683 V735 V753 V754K683-A747 HydrophobicContact CG-CB 4.21Å; V735-A747 PolarHBondContact N-O 2.74Å; V735-A747 PolarHBondContact O-N 2.98Å; A747-V753 WeakPolarHBondContact CA-O 3.4Å; A747-V754 HydrophobicContact CB-CG2 4.07Å
748C88.5Confident84Confident1 Ų133.9 Ų33.91%0.00720%0.195CC..EExtended strand (participates in β ladder)trans-71136.4171.5-177.80000110.1K683 C726 C729 V733 L734 K750 C751 V753K683-C748 VanDerWaalsContact CE-O 3.28Å; K683-C748 WeakPolarHBondContact CE-O 3.19Å; K683-C748 PolarHBondContact NZ-O 3.31Å; C726-C748 HydrophobicContact CB-CB 4.3Å; C726-C748 VanDerWaalsContact SG-SG 3.65Å; C729-C748 VanDerWaalsContact SG-SG 3.68Å; V733-C748 WeakPolarHBondContact O-CA 3.38Å; L734-C748 HydrophobicContact CD2-CB 4.19Å; C748-K750 VanDerWaalsContact C-N 3.29Å; C748-K750 PolarHBondContact O-N 3.46Å; C748-K750 PolarHBondContact SG-N 3.11Å; C748-C751 VanDerWaalsContact CB-SG 3.56Å; C748-C751 PolarHBondContact SG-N 2.95Å; C748-V753 HydrophobicContact CB-CB 4.07Å; C748-V753 PolarHBondContact N-O 3.39Å
749N87.3Confident83.7Confident17 Ų1738.8 Ų38.89%0.09122%0.215CC..SBendtrans-71.8-17.2174.564-4.6000114E708 V733 V735E708-N749 HydrophobicContact CG-CB 3.98Å; V733-N749 PolarHBondContact N-OD1 3.08Å; V733-N749 PolarHBondContact O-N 3.35Å; V733-N749 PolarHBondContact O-OD1 3.22Å; V735-N749 HydrophobicContact CG2-CB 4.28Å
750K83.8Confident83.5Confident94 Ų9440 Ų4041%0.40922%0.22SC..SBendtrans-108.2-57.8-179.9-60.5-58.3-174.1-171.80114.7M704 E708 C748M704-K750 VanDerWaalsContact CE-NZ 3.32Å; E708-K750 IonicContact OE2-NZ 3.69Å; E708-K750 PolarHBondContact OE2-NZ 2.89Å; C748-K750 VanDerWaalsContact C-N 3.29Å; C748-K750 PolarHBondContact O-N 3.46Å; C748-K750 PolarHBondContact SG-N 3.11Å
751C83.8Confident83.6Confident32 Ų3239.3 Ų39.322%0.21622%0.215CC..SBendtrans-97.6174.2-174.3740000112.5K683 C729 C748 V753K683-C751 WeakPolarHBondContact CE-O 3.38Å; K683-C751 PolarHBondContact NZ-O 3.18Å; C729-C751 HydrophobicContact CB-CB 4.11Å; C748-C751 VanDerWaalsContact CB-SG 3.56Å; C748-C751 PolarHBondContact SG-N 2.95Å; C751-V753 PolarHBondContact O-N 3.12Å; C751-V753 VanDerWaalsContact O-N 3.1Å; C751-V753 VanDerWaalsContact SG-CG2 3.51Å
752S81.4Confident83.8Confident69 Ų6943 Ų4348%0.48322%0.223SC..SBendtrans-75.911.2-173.8520000116.5A816S752-A816 VanDerWaalsContact O-CB 3.24Å; S752-A816 WeakPolarHBondContact O-CB 3.36Å; S752-A816 PolarHBondContact O-N 3.12Å
753V84.5Confident84.4Confident3 Ų342.5 Ų42.52%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-68.6130.5-1791730000112E728 L734 A747 C748 C751 L813E728-V753 HydrophobicContact CB-CG2 3.7Å; E728-V753 HydrophobicContact CG-CG2 3.48Å; E728-V753 VanDerWaalsContact CG-CG2 3.48Å; L734-V753 HydrophobicContact CD2-CG1 4.11Å; A747-V753 WeakPolarHBondContact CA-O 3.4Å; C748-V753 HydrophobicContact CB-CB 4.07Å; C748-V753 PolarHBondContact N-O 3.39Å; C751-V753 PolarHBondContact O-N 3.12Å; C751-V753 VanDerWaalsContact O-N 3.1Å; C751-V753 VanDerWaalsContact SG-CG2 3.51Å; V753-L813 HydrophobicContact CG1-CD2 4.42Å
754V84.8Confident84.7Confident3 Ų336.1 Ų36.12%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-140110.2173.2-178.40000109.6K683 K745 V746 A747 K814 A816K683-V754 HydrophobicContact CG-CG2 3.81Å; K745-V754 HydrophobicContact CB-CG1 4.35Å; K745-V754 HydrophobicContact CD-CG1 4.21Å; K745-V754 HydrophobicContact CG-CG1 4.39Å; V746-V754 CarbonylContact O-C 3.57Å; V746-V754 WeakPolarHBondContact O-CA 3.46Å; A747-V754 HydrophobicContact CB-CG2 4.07Å; V754-K814 CarbonylContact C-O 3.45Å; V754-K814 PolarHBondContact N-O 3.15Å; V754-K814 VanDerWaalsContact N-O 3.16Å; V754-K814 CarbonylContact O-C 3.57Å; V754-K814 WeakPolarHBondContact O-CA 3.33Å; V754-K814 PolarHBondContact O-N 2.63Å; V754-K814 VanDerWaalsContact O-N 3.12Å; V754-A816 HydrophobicContact CG2-CB 4.1Å
755A84.6Confident84.8Confident9 Ų941.7 Ų41.77%0.07420%0.202CC..EExtended strand (participates in β ladder)trans-91.1132.9173.100000110.4K745 V746 V811K745-A755 CarbonylContact C-O 3.55Å; K745-A755 VanDerWaalsContact CA-O 3.28Å; K745-A755 WeakPolarHBondContact CA-O 3.2Å; V746-A755 PolarHBondContact N-O 2.87Å; V746-A755 PolarHBondContact O-N 3.12Å; A755-V811 HydrophobicContact CB-CG1 4.19Å
756H84.1Confident84.9Confident45 Ų4542.2 Ų42.221%0.20821%0.207CC..EExtended strand (participates in β ladder)trans-89.6133.9167.4-74.4-96.9000108.3V811 E812H756-V811 WeakPolarHBondContact O-CA 3.36Å; H756-E812 PolarHBondContact N-O 3.34Å; H756-E812 PolarHBondContact O-N 2.94Å
757C83.6Confident84.9Confident6 Ų643.3 Ų43.34%0.04122%0.215CC..EExtended strand (participates in β ladder)trans-140153.5-175.356.50000111.5W744 L810 V811W744-C757 WeakPolarHBondContact CB-O 3.27Å; W744-C757 PolarHBondContact O-N 2.87Å; C757-L810 WeakPolarHBondContact CA-O 3.33Å; C757-V811 HydrophobicContact CB-CG2 3.86Å
758F84.1Confident84.6Confident0 Ų047.6 Ų47.60%025%0.251CS..  trans54.857.5167.6-41.9-55.9000113.9N760 A761 V764 L779 V781 F783 V801 F807 L810 V811F758-N760 PolarHBondContact O-N 2.93Å; F758-A761 HydrophobicContact CB-CB 3.72Å; F758-A761 WeakPolarHBondContact O-CB 3.23Å; F758-A761 PolarHBondContact O-N 3.42Å; F758-A761 VanDerWaalsContact O-N 3.09Å; F758-V764 HydrophobicContact CB-CG2 4.37Å; F758-V764 HydrophobicContact CD2-CG1 4.17Å; F758-V764 HydrophobicContact CD2-CG2 3.89Å; F758-V764 HydrophobicContact CE2-CG1 4.29Å; F758-V764 HydrophobicContact CG-CG2 4.48Å; F758-L779 HydrophobicContact CE2-CD1 3.47Å; F758-L779 VanDerWaalsContact CE2-CD1 3.47Å; F758-L779 HydrophobicContact CZ-CD1 3.87Å; F758-V781 HydrophobicContact CB-CG1 3.98Å; F758-V781 HydrophobicContact CD1-CG1 4.21Å; F758-V781 HydrophobicContact CD1-CG2 4.12Å; F758-V781 HydrophobicContact CD2-CG1 4.42Å; F758-V781 HydrophobicContact CD2-CG2 3.85Å; F758-V781 HydrophobicContact CE1-CG2 4.11Å; F758-V781 HydrophobicContact CE2-CG2 3.83Å; F758-V781 HydrophobicContact CG-CG1 3.93Å; F758-V781 HydrophobicContact CG-CG2 4Å; F758-V781 HydrophobicContact CZ-CG2 3.95Å; F758-F783 HydrophobicContact CB-CE1 4.03Å; F758-F783 HydrophobicContact CB-CZ 4.37Å; F758-F783 HydrophobicContact CD1-CE1 4.46Å; F758-F783 HydrophobicContact CD1-CZ 4.03Å; F758-V801 HydrophobicContact CZ-CG2 4.33Å; F758-F807 HydrophobicContact CD1-CD1 4.13Å; F758-F807 HydrophobicContact CD1-CE1 4.19Å; F758-F807 HydrophobicContact CE1-CB 3.94Å; F758-F807 AromaticContact CE1-CD1 3.41Å; F758-F807 HydrophobicContact CE1-CD1 3.41Å; F758-F807 VanDerWaalsContact CE1-CD1 3.41Å; F758-F807 AromaticContact CE1-CD2 3.89Å; F758-F807 HydrophobicContact CE1-CD2 3.89Å; F758-F807 AromaticContact CE1-CE1 3.69Å; F758-F807 HydrophobicContact CE1-CE1 3.69Å; F758-F807 HydrophobicContact CE1-CE2 4.16Å; F758-F807 AromaticContact CE1-CG 3.5Å; F758-F807 HydrophobicContact CE1-CG 3.5Å; F758-F807 VanDerWaalsContact CE1-CG 3.5Å; F758-F807 HydrophobicContact CE1-CZ 4.07Å; F758-F807 HydrophobicContact CZ-CB 4.43Å; F758-F807 HydrophobicContact CZ-CD1 4.26Å; F758-F807 AromaticContact CZ-CD2 3.91Å; F758-F807 HydrophobicContact CZ-CD2 3.91Å; F758-F807 HydrophobicContact CZ-CE1 4.41Å; F758-F807 HydrophobicContact CZ-CE2 4.1Å; F758-F807 AromaticContact CZ-CG 3.98Å; F758-F807 HydrophobicContact CZ-CG 3.98Å; F758-F807 HydrophobicContact CZ-CZ 4.35Å; F758-L810 HydrophobicContact CD1-CB 4.26Å; F758-L810 PolarHBondContact N-O 2.93Å; F758-L810 VanDerWaalsContact N-O 3.07Å; F758-V811 HydrophobicContact CE1-CG2 4.35Å; F758-V811 HydrophobicContact CZ-CG2 4.37Å
759E74.5Confident84.6Confident140 Ų14051.9 Ų51.965%0.65427%0.273SS*.THydrogen-bonded Turntrans-59.9131.8171.9-165164.4-154.500109.6
760N78.9Confident84.6Confident70 Ų7055.5 Ų55.537%0.37430%0.296SS..THydrogen-bonded Turntrans76.87.4-172.4-43.8-71.5000116.8F758 N784 K787F758-N760 PolarHBondContact O-N 2.93Å; N760-N784 WeakPolarHBondContact O-CB 3.35Å; N760-N784 PolarHBondContact O-N 2.89Å; N760-K787 HydrophobicContact CB-CB 4.13Å
761A84.2Confident84.8Confident1 Ų151.6 Ų51.61%0.00828%0.281CS..EExtended strand (participates in β ladder)trans-76.5132.5167.600000112.2W744 F758 V764 V781 D782 F783W744-A761 PolarHBondContact NE1-O 3.47Å; F758-A761 HydrophobicContact CB-CB 3.72Å; F758-A761 WeakPolarHBondContact O-CB 3.23Å; F758-A761 PolarHBondContact O-N 3.42Å; F758-A761 VanDerWaalsContact O-N 3.09Å; A761-V764 HydrophobicContact CB-CG2 4.04Å; A761-V781 HydrophobicContact CB-CG1 3.64Å; A761-D782 WeakPolarHBondContact CA-O 3.21Å; A761-F783 HydrophobicContact CB-CD1 3.99Å; A761-F783 HydrophobicContact CB-CE1 4.13Å
762H83.7Confident84.8Confident114 Ų11456 Ų5653%0.52831%0.312SS..EExtended strand (participates in β ladder)trans-93.3-18.4176.174.3-84.7000112.4D782 F783H762-D782 IonicContact CE1-OD1 2.81Å; H762-D782 PolarHBondContact CE1-OD1 3.38Å; H762-D782 VanDerWaalsContact CE1-OD1 3.23Å; H762-D782 IonicContact CE1-OD2 3.06Å; H762-D782 PolarHBondContact N-O 3.32Å; H762-D782 PolarHBondContact ND1-O 2.86Å; H762-D782 IonicContact ND1-OD1 3.61Å; H762-D782 IonicContact NE2-OD2 3.96Å; H762-F783 PolarHBondContact ND1-O 3.03Å
763R86.3Confident84.9Confident85 Ų8558.1 Ų58.132%0.32132%0.321SS..EExtended strand (participates in β ladder)trans-145.2134.4174.7-166.3173.972.9-169.61.8111.2R765 D782R763-R765 HydrophobicContact CG-CG 4.43Å; R763-D782 HydrophobicContact CB-CB 4.08Å; R763-D782 PolarHBondContact N-O 2.88Å; R763-D782 IonicContact NH2-OD2 2.81Å; R763-D782 PolarHBondContact O-N 2.9Å
764V89.1Confident84.7Confident8 Ų860.4 Ų60.45%0.04834%0.337CS..EExtended strand (participates in β ladder)trans-133131.5171.9179.20000108.3L736 W744 F758 A761 L779 D780 V781L736-V764 HydrophobicContact CD1-CG1 3.94Å; L736-V764 HydrophobicContact CD2-CG1 4.06Å; W744-V764 HydrophobicContact CB-CG2 4.24Å; W744-V764 HydrophobicContact CD2-CB 3.77Å; W744-V764 HydrophobicContact CD2-CG2 3.54Å; W744-V764 HydrophobicContact CE3-CB 3.86Å; W744-V764 HydrophobicContact CE3-CG2 4.17Å; W744-V764 HydrophobicContact CG-CB 4.24Å; W744-V764 HydrophobicContact CG-CG2 3.56Å; W744-V764 HydrophobicContact CH2-CB 4.33Å; W744-V764 HydrophobicContact CZ2-CB 4.27Å; W744-V764 HydrophobicContact CZ2-CG2 4.3Å; W744-V764 HydrophobicContact CZ3-CB 4.13Å; F758-V764 HydrophobicContact CB-CG2 4.37Å; F758-V764 HydrophobicContact CD2-CG1 4.17Å; F758-V764 HydrophobicContact CD2-CG2 3.89Å; F758-V764 HydrophobicContact CE2-CG1 4.29Å; F758-V764 HydrophobicContact CG-CG2 4.48Å; A761-V764 HydrophobicContact CB-CG2 4.04Å; V764-L779 HydrophobicContact CG1-CD1 4.25Å; V764-D780 CarbonylContact C-O 3.59Å; V764-D780 WeakPolarHBondContact CA-O 3.45Å; V764-V781 HydrophobicContact CG1-CG2 4.24Å; V764-V781 HydrophobicContact CG2-CG1 4.13Å; V764-V781 HydrophobicContact CG2-CG2 4.28Å
765R88.9Confident84.7Confident141 Ų14168.3 Ų68.353%0.53237%0.374SS..EExtended strand (participates in β ladder)trans-135.3148.9177.6-67.5-179.6177.3176.5-1.2110.7R763 L779 D780R763-R765 HydrophobicContact CG-CG 4.43Å; R765-L779 CarbonylContact O-C 3.54Å; R765-L779 WeakPolarHBondContact O-CA 3.44Å; R765-D780 HydrophobicContact CB-CB 4.48Å; R765-D780 PolarHBondContact N-O 3.24Å; R765-D780 PolarHBondContact O-N 3.39Å
766V90.1Very high84.8Confident32 Ų3268 Ų6819%0.19437%0.371CS..EExtended strand (participates in β ladder)trans-84.3125.1169.4-171.80000107.7I723 L736 A777 L779I723-V766 HydrophobicContact CG1-CG2 4.23Å; L736-V766 HydrophobicContact CB-CG2 3.99Å; L736-V766 HydrophobicContact CD2-CG2 3.91Å; V766-A777 HydrophobicContact CG1-CB 3.59Å; V766-L779 HydrophobicContact CB-CD2 4.17Å; V766-L779 HydrophobicContact CG1-CD2 4.37Å; V766-L779 HydrophobicContact CG2-CD2 3.75Å
767S87.4Confident85.1Confident28 Ų2866.5 Ų66.520%0.19637%0.367CS..EExtended strand (participates in β ladder)trans-82.8161174.9-170.80000110.7D769 L778S767-D769 VanDerWaalsContact C-N 3.27Å; S767-D769 PolarHBondContact OG-N 3.25Å; S767-D769 PolarHBondContact OG-OD2 3.23Å; S767-L778 WeakPolarHBondContact CB-O 3.21Å; S767-L778 PolarHBondContact N-O 2.88Å
768A82.8Confident85.4Confident102 Ų10267.7 Ų67.784%0.84337%0.373SS*.EExtended strand (participates in β ladder)trans-75.9-18.417000000112.5
769D87.9Confident85.7Confident91 Ų9167.7 Ų67.749%0.48737%0.373SS..EExtended strand (participates in β ladder)trans-73.8144.8178-58.9-47.6000111.1S767 L778S767-D769 VanDerWaalsContact C-N 3.27Å; S767-D769 PolarHBondContact OG-N 3.25Å; S767-D769 PolarHBondContact OG-OD2 3.23Å; D769-L778 HydrophobicContact CB-CD1 3.78Å; D769-L778 HydrophobicContact CB-CG 4.23Å; D769-L778 WeakPolarHBondContact O-CG 3.26Å; D769-L778 PolarHBondContact O-N 3.44Å
770T88.9Confident86.4Confident92 Ų9262.8 Ų62.856%0.56435%0.351SS*.EExtended strand (participates in β ladder)trans-114.7151.9-18052.40000111.3A776T770-A776 CarbonylContact C-O 3.49Å; T770-A776 WeakPolarHBondContact CA-O 3.34Å
771C86.7Confident86.9Confident13 Ų1359.4 Ų59.49%0.08833%0.333CS..  trans-69.6129.6176.1-175.40000110.6V773 E775 A776 L778 C800C771-V773 PolarHBondContact O-N 3.02Å; C771-V773 VanDerWaalsContact O-N 3.12Å; C771-E775 VanDerWaalsContact O-CA 3.3Å; C771-E775 WeakPolarHBondContact O-CA 3.39Å; C771-E775 PolarHBondContact O-N 3.37Å; C771-A776 WeakPolarHBondContact CB-O 3.41Å; C771-A776 PolarHBondContact N-O 3.5Å; C771-L778 HydrophobicContact CB-CD2 3.98Å; C771-C800 HydrophobicContact CB-CB 3.74Å
772S84.1Confident87.1Confident124 Ų12460 Ų6087%0.86734%0.336SS*.THydrogen-bonded Turntrans-64.6-13.6177.253.90000114.6
773V83.1Confident87.2Confident113 Ų11354.6 Ų54.669%0.68531%0.311SS*.THydrogen-bonded Turntrans-99.5-45.3-176.7-178.20000112.6C771C771-V773 PolarHBondContact O-N 3.02Å; C771-V773 VanDerWaalsContact O-N 3.12Å
774C81.1Confident87Confident52 Ų5254.4 Ų54.435%0.35132%0.316SS..THydrogen-bonded Turntrans-124.86.3-172.170.20000114.3A776 C800C774-A776 PolarHBondContact O-N 3.11Å; C774-C800 PolarHBondContact SG-SG 3.46Å
775E84.8Confident86.5Confident168 Ų16862 Ų6279%0.78535%0.349SS*.  trans60.63.8178.8-56.7-179.217700115.4C771C771-E775 VanDerWaalsContact O-CA 3.3Å; C771-E775 WeakPolarHBondContact O-CA 3.39Å; C771-E775 PolarHBondContact O-N 3.37Å
776A87.2Confident86Confident3 Ų359.5 Ų59.53%0.02536%0.358CS..PPolyproline II helixtrans-68.1143.4174.900000111.3I723 T770 C771 C774 F802I723-A776 CarbonylContact O-C 3.6Å; I723-A776 VanDerWaalsContact O-CA 3.22Å; I723-A776 WeakPolarHBondContact O-CA 3.27Å; I723-A776 WeakPolarHBondContact O-CB 3.32Å; T770-A776 CarbonylContact C-O 3.49Å; T770-A776 WeakPolarHBondContact CA-O 3.34Å; C771-A776 WeakPolarHBondContact CB-O 3.41Å; C771-A776 PolarHBondContact N-O 3.5Å; C774-A776 PolarHBondContact O-N 3.11Å; A776-F802 HydrophobicContact CB-CD2 3.71Å; A776-F802 HydrophobicContact CB-CE2 3.72Å
777A89.1Confident85.3Confident14 Ų1464.5 Ų64.512%0.11638%0.377CS..EExtended strand (participates in β ladder)trans-60.7137.4174.500000111I723 V766I723-A777 PolarHBondContact O-N 3.09Å; V766-A777 HydrophobicContact CG1-CB 3.59Å
778L90.4Very high85Confident30 Ų3064.7 Ų64.716%0.15738%0.378CS..EExtended strand (participates in β ladder)trans-72.9147.8176.8-58.4-175.5000110.2S767 D769 C771 M798 C800S767-L778 WeakPolarHBondContact CB-O 3.21Å; S767-L778 PolarHBondContact N-O 2.88Å; D769-L778 HydrophobicContact CB-CD1 3.78Å; D769-L778 HydrophobicContact CB-CG 4.23Å; D769-L778 WeakPolarHBondContact O-CG 3.26Å; D769-L778 PolarHBondContact O-N 3.44Å; C771-L778 HydrophobicContact CB-CD2 3.98Å; L778-M798 HydrophobicContact CB-CG 4.11Å; L778-M798 HydrophobicContact CD1-CG 4.35Å; L778-M798 HydrophobicContact CD1-SD 4.26Å; L778-C800 HydrophobicContact CD2-CB 3.77Å
779L89.7Confident84.7Confident0 Ų062.6 Ų62.60%036%0.356CS..EExtended strand (participates in β ladder)trans-105131.5172.8-63.4-170.8000110.4I723 F758 V764 R765 V766 V781 M798 G799 V801 F807I723-L779 HydrophobicContact CD1-CD1 4.07Å; I723-L779 HydrophobicContact CD1-CD2 3.94Å; I723-L779 HydrophobicContact CD1-CG 4.43Å; I723-L779 HydrophobicContact CG1-CD2 4.1Å; F758-L779 HydrophobicContact CE2-CD1 3.47Å; F758-L779 VanDerWaalsContact CE2-CD1 3.47Å; F758-L779 HydrophobicContact CZ-CD1 3.87Å; V764-L779 HydrophobicContact CG1-CD1 4.25Å; R765-L779 CarbonylContact O-C 3.54Å; R765-L779 WeakPolarHBondContact O-CA 3.44Å; V766-L779 HydrophobicContact CB-CD2 4.17Å; V766-L779 HydrophobicContact CG1-CD2 4.37Å; V766-L779 HydrophobicContact CG2-CD2 3.75Å; L779-V781 HydrophobicContact CB-CG2 4.16Å; L779-M798 WeakPolarHBondContact O-CA 3Å; L779-G799 PolarHBondContact N-O 2.76Å; L779-G799 PolarHBondContact O-N 2.63Å; L779-G799 VanDerWaalsContact O-N 3.1Å; L779-V801 HydrophobicContact CD1-CG2 3.2Å; L779-V801 HydrophobicContact CG-CG2 3.7Å; L779-F807 HydrophobicContact CB-CE2 4.19Å
780D90.2Very high84.5Confident37 Ų3759 Ų5920%0.19834%0.337CS..EExtended strand (participates in β ladder)trans-93.3112.3169.2175.214.3000108.5V764 R765 M798V764-D780 CarbonylContact C-O 3.59Å; V764-D780 WeakPolarHBondContact CA-O 3.45Å; R765-D780 HydrophobicContact CB-CB 4.48Å; R765-D780 PolarHBondContact N-O 3.24Å; R765-D780 PolarHBondContact O-N 3.39Å; D780-M798 HydrophobicContact CB-CE 4.37Å
781V88.8Confident83.8Confident0 Ų059.5 Ų59.50%034%0.342CS..EExtended strand (participates in β ladder)trans-119.6125.2-173.7-176.20000110.1F758 A761 V764 L779 F783 Q796 H797 F807F758-V781 HydrophobicContact CB-CG1 3.98Å; F758-V781 HydrophobicContact CD1-CG1 4.21Å; F758-V781 HydrophobicContact CD1-CG2 4.12Å; F758-V781 HydrophobicContact CD2-CG1 4.42Å; F758-V781 HydrophobicContact CD2-CG2 3.85Å; F758-V781 HydrophobicContact CE1-CG2 4.11Å; F758-V781 HydrophobicContact CE2-CG2 3.83Å; F758-V781 HydrophobicContact CG-CG1 3.93Å; F758-V781 HydrophobicContact CG-CG2 4Å; F758-V781 HydrophobicContact CZ-CG2 3.95Å; A761-V781 HydrophobicContact CB-CG1 3.64Å; V764-V781 HydrophobicContact CG1-CG2 4.24Å; V764-V781 HydrophobicContact CG2-CG1 4.13Å; V764-V781 HydrophobicContact CG2-CG2 4.28Å; L779-V781 HydrophobicContact CB-CG2 4.16Å; V781-F783 HydrophobicContact CB-CE2 4.08Å; V781-F783 HydrophobicContact CB-CZ 4.29Å; V781-F783 HydrophobicContact CG1-CD1 4.3Å; V781-F783 HydrophobicContact CG1-CD2 4.01Å; V781-F783 HydrophobicContact CG1-CE1 3.85Å; V781-F783 HydrophobicContact CG1-CE2 3.53Å; V781-F783 HydrophobicContact CG1-CG 4.38Å; V781-F783 HydrophobicContact CG1-CZ 3.43Å; V781-F783 VanDerWaalsContact CG1-CZ 3.43Å; V781-Q796 WeakPolarHBondContact O-CA 2.96Å; V781-H797 PolarHBondContact N-O 2.92Å; V781-H797 PolarHBondContact O-N 3.18Å; V781-F807 HydrophobicContact CB-CE1 4.19Å; V781-F807 HydrophobicContact CB-CZ 3.85Å; V781-F807 HydrophobicContact CG2-CE1 4.03Å; V781-F807 HydrophobicContact CG2-CE2 4.05Å; V781-F807 HydrophobicContact CG2-CZ 3.43Å; V781-F807 VanDerWaalsContact CG2-CZ 3.43Å
782D88.8Confident83.1Confident12 Ų1262.5 Ų62.56%0.06438%0.375CS..EExtended strand (participates in β ladder)trans-111108.6175.8-154.7-19.7000110A761 H762 R763 T795 Q796A761-D782 WeakPolarHBondContact CA-O 3.21Å; H762-D782 IonicContact CE1-OD1 2.81Å; H762-D782 PolarHBondContact CE1-OD1 3.38Å; H762-D782 VanDerWaalsContact CE1-OD1 3.23Å; H762-D782 IonicContact CE1-OD2 3.06Å; H762-D782 PolarHBondContact N-O 3.32Å; H762-D782 PolarHBondContact ND1-O 2.86Å; H762-D782 IonicContact ND1-OD1 3.61Å; H762-D782 IonicContact NE2-OD2 3.96Å; R763-D782 HydrophobicContact CB-CB 4.08Å; R763-D782 PolarHBondContact N-O 2.88Å; R763-D782 IonicContact NH2-OD2 2.81Å; R763-D782 PolarHBondContact O-N 2.9Å; D782-T795 CarbonylContact C-O 3.51Å; D782-T795 WeakPolarHBondContact CA-O 3.26Å; D782-T795 PolarHBondContact OD1-OG1 2.97Å; D782-Q796 HydrophobicContact CB-CG 4.2Å; D782-Q796 PolarHBondContact OD2-NE2 3.14Å
783F86Confident82.4Confident1 Ų163.7 Ų63.70%0.00437%0.371CS..EExtended strand (participates in β ladder)trans-82154.4-179.2-65.6-80.1000112.1F758 A761 H762 V781 K785 P789 L790 T795 F807 L810F758-F783 HydrophobicContact CB-CE1 4.03Å; F758-F783 HydrophobicContact CB-CZ 4.37Å; F758-F783 HydrophobicContact CD1-CE1 4.46Å; F758-F783 HydrophobicContact CD1-CZ 4.03Å; A761-F783 HydrophobicContact CB-CD1 3.99Å; A761-F783 HydrophobicContact CB-CE1 4.13Å; H762-F783 PolarHBondContact ND1-O 3.03Å; V781-F783 HydrophobicContact CB-CE2 4.08Å; V781-F783 HydrophobicContact CB-CZ 4.29Å; V781-F783 HydrophobicContact CG1-CD1 4.3Å; V781-F783 HydrophobicContact CG1-CD2 4.01Å; V781-F783 HydrophobicContact CG1-CE1 3.85Å; V781-F783 HydrophobicContact CG1-CE2 3.53Å; V781-F783 HydrophobicContact CG1-CG 4.38Å; V781-F783 HydrophobicContact CG1-CZ 3.43Å; V781-F783 VanDerWaalsContact CG1-CZ 3.43Å; F783-K785 PolarHBondContact O-N 3.35Å; F783-P789 HydrophobicContact CD1-CG 3.84Å; F783-P789 HydrophobicContact CD2-CG 4.24Å; F783-P789 HydrophobicContact CE1-CG 3.68Å; F783-P789 HydrophobicContact CE2-CG 4.09Å; F783-P789 HydrophobicContact CG-CG 4.11Å; F783-P789 HydrophobicContact CZ-CG 3.81Å; F783-L790 HydrophobicContact CD2-CD1 3.95Å; F783-L790 HydrophobicContact CD2-CG 4.1Å; F783-L790 HydrophobicContact CE2-CD1 4.36Å; F783-L790 HydrophobicContact CE2-CD2 4.3Å; F783-L790 HydrophobicContact CE2-CG 4.31Å; F783-T795 PolarHBondContact N-O 3.13Å; F783-F807 HydrophobicContact CE2-CE1 4.32Å; F783-F807 HydrophobicContact CZ-CE1 4.36Å; F783-L810 HydrophobicContact CE1-CD1 4.19Å; F783-L810 HydrophobicContact CZ-CD1 3.76Å
784N82.5Confident82.3Confident82 Ų8264.1 Ų64.144%0.43937%0.366SS..  trans-67.5127.9172.5-171.6-44000110N760 A786 K787 S788N760-N784 WeakPolarHBondContact O-CB 3.35Å; N760-N784 PolarHBondContact O-N 2.89Å; N784-A786 PolarHBondContact O-N 3.08Å; N784-A786 PolarHBondContact OD1-N 3.41Å; N784-K787 CarbonylContact O-C 3.5Å; N784-K787 PolarHBondContact O-N 3.28Å; N784-S788 PolarHBondContact O-N 3.1Å; N784-S788 VanDerWaalsContact O-N 3.09Å
785K78.6Confident82.4Confident168 Ų16863.4 Ų63.473%0.7336%0.36SS*.G310 helixtrans-49.8-32.5179.7-166.3174.8-176.4177.10114.3F783 T795F783-K785 PolarHBondContact O-N 3.35Å; K785-T795 HydrophobicContact CB-CG2 3.98Å; K785-T795 HydrophobicContact CG-CG2 4.1Å
786A77.1Confident82.6Confident88 Ų8860.5 Ų60.573%0.72735%0.346SS*.G310 helixtrans-80.8-12.4-179.400000114.6N784N784-A786 PolarHBondContact O-N 3.08Å; N784-A786 PolarHBondContact OD1-N 3.41Å
787K76.3Confident82.7Confident137 Ų13762.4 Ų62.460%0.59636%0.355SS*.G310 helixtrans-144.434.1-172.9-62.2-173.2-179.9-176.10112N760 N784N760-K787 HydrophobicContact CB-CB 4.13Å; N784-K787 CarbonylContact O-C 3.5Å; N784-K787 PolarHBondContact O-N 3.28Å
788S81.1Confident82.7Confident31 Ų3166 Ų6622%0.21737%0.37CS..  trans-69.9129.9180-171.10000110.1N784 L790 E794N784-S788 PolarHBondContact O-N 3.1Å; N784-S788 VanDerWaalsContact O-N 3.09Å; S788-L790 PolarHBondContact O-N 3.46Å; S788-L790 PolarHBondContact OG-N 2.86Å; S788-E794 WeakPolarHBondContact CB-O 3.34Å; S788-E794 PolarHBondContact OG-O 3.25Å
789P77.1Confident82.6Confident59 Ų5964.7 Ų64.738%0.38336%0.364SS..  trans-79.3-0.717233.1-33.3000112.7F783 L810F783-P789 HydrophobicContact CD1-CG 3.84Å; F783-P789 HydrophobicContact CD2-CG 4.24Å; F783-P789 HydrophobicContact CE1-CG 3.68Å; F783-P789 HydrophobicContact CE2-CG 4.09Å; F783-P789 HydrophobicContact CG-CG 4.11Å; F783-P789 HydrophobicContact CZ-CG 3.81Å; P789-L810 HydrophobicContact CB-CD1 4.07Å; P789-L810 HydrophobicContact CB-CD2 4.06Å; P789-L810 HydrophobicContact CG-CD1 3.59Å; P789-L810 HydrophobicContact CG-CD2 4.22Å
790L82.6Confident82.5Confident14 Ų1465 Ų657%0.07337%0.366CS..SBendtrans-85.5145.9-176-55.3175.6000112.2F783 S788 E794 H797 V806F783-L790 HydrophobicContact CD2-CD1 3.95Å; F783-L790 HydrophobicContact CD2-CG 4.1Å; F783-L790 HydrophobicContact CE2-CD1 4.36Å; F783-L790 HydrophobicContact CE2-CD2 4.3Å; F783-L790 HydrophobicContact CE2-CG 4.31Å; S788-L790 PolarHBondContact O-N 3.46Å; S788-L790 PolarHBondContact OG-N 2.86Å; L790-E794 HydrophobicContact CB-CB 4.37Å; L790-E794 HydrophobicContact CD1-CB 4.37Å; L790-H797 HydrophobicContact CD1-CB 3.76Å; L790-H797 HydrophobicContact CD2-CB 3.69Å; L790-H797 HydrophobicContact CG-CB 4.38Å; L790-V806 HydrophobicContact CD2-CG1 3.65Å
791P73.8Confident82.2Confident104 Ų10463.9 Ų63.968%0.67536%0.361SS*.G310 helixtrans-68.6139174.827.9-32.5000111.4
792G72Confident81.9Confident75 Ų7566.9 Ų66.977%0.77337%0.374SS*.G310 helixtrans85.530.5167.200000117.7E794G792-E794 PolarHBondContact O-N 3.38Å; G792-E794 VanDerWaalsContact O-N 3.14Å
793D70.9Confident81.5Confident150 Ų15068.5 Ų68.580%0.80239%0.386SS*.G310 helixtrans61.611-177.6-76.7-19.4000115.1
794E80.5Confident81.5Confident121 Ų12169.6 Ų69.657%0.56539%0.392SS*.  trans-69144.4172.5-65.3-172.7170.400111S788 L790 G792S788-E794 WeakPolarHBondContact CB-O 3.34Å; S788-E794 PolarHBondContact OG-O 3.25Å; L790-E794 HydrophobicContact CB-CB 4.37Å; L790-E794 HydrophobicContact CD1-CB 4.37Å; G792-E794 PolarHBondContact O-N 3.38Å; G792-E794 VanDerWaalsContact O-N 3.14Å
795T83.9Confident81.4Confident38 Ų3870.2 Ų70.223%0.23340%0.4CS..  trans-115.4-13.9179.267.30000113.5D782 F783 K785D782-T795 CarbonylContact C-O 3.51Å; D782-T795 WeakPolarHBondContact CA-O 3.26Å; D782-T795 PolarHBondContact OD1-OG1 2.97Å; F783-T795 PolarHBondContact N-O 3.13Å; K785-T795 HydrophobicContact CB-CG2 3.98Å; K785-T795 HydrophobicContact CG-CG2 4.1Å
796Q87.9Confident81.5Confident106 Ų10664.4 Ų64.450%0.49538%0.378SS..EExtended strand (participates in β ladder)trans-113.6131.2-176.7-71.3179.1-7.600110.4V781 D782V781-Q796 WeakPolarHBondContact O-CA 2.96Å; D782-Q796 HydrophobicContact CB-CG 4.2Å; D782-Q796 PolarHBondContact OD2-NE2 3.14Å
797H89.1Confident81.9Confident44 Ų4460.2 Ų60.220%0.20434%0.344CS..EExtended strand (participates in β ladder)trans-137137172.2-168.568000109.8V781 L790 D804 F807V781-H797 PolarHBondContact N-O 2.92Å; V781-H797 PolarHBondContact O-N 3.18Å; L790-H797 HydrophobicContact CD1-CB 3.76Å; L790-H797 HydrophobicContact CD2-CB 3.69Å; L790-H797 HydrophobicContact CG-CB 4.38Å; H797-D804 IonicContact CD2-OD1 3.07Å; H797-D804 IonicContact CD2-OD2 3.36Å; H797-D804 IonicContact CE1-OD2 3.75Å; H797-D804 VanDerWaalsContact NE2-CG 3.33Å; H797-D804 IonicContact NE2-OD1 2.73Å; H797-D804 PolarHBondContact NE2-OD1 3.11Å; H797-D804 IonicContact NE2-OD2 3.45Å; H797-D804 PolarHBondContact NE2-OD2 2.97Å; H797-F807 HydrophobicContact CB-CE1 4.09Å; H797-F807 HydrophobicContact CB-CZ 4.24Å; H797-F807 AromaticContact CD2-CD1 3.86Å; H797-F807 AromaticContact CD2-CE1 3.4Å; H797-F807 WeakPolarHBondContact CD2-CE1 3.16Å; H797-F807 AromaticContact CD2-CZ 3.57Å
798M90.1Very high82Confident88 Ų8858.8 Ų58.843%0.43334%0.339SS..EExtended strand (participates in β ladder)trans-114.8121.2173-173.6-175.3-63.300108.9L778 L779 D780L778-M798 HydrophobicContact CB-CG 4.11Å; L778-M798 HydrophobicContact CD1-CG 4.35Å; L778-M798 HydrophobicContact CD1-SD 4.26Å; L779-M798 WeakPolarHBondContact O-CA 3Å; D780-M798 HydrophobicContact CB-CE 4.37Å
799G88.2Confident81.7Confident4 Ų465.8 Ų65.84%0.04137%0.369CS..EExtended strand (participates in β ladder)trans-160.1165.4-172.900000113.7L779 F807L779-G799 PolarHBondContact N-O 2.76Å; L779-G799 PolarHBondContact O-N 2.63Å; L779-G799 VanDerWaalsContact O-N 3.1Å; G799-F807 WeakPolarHBondContact O-CD2 3.48Å; G799-F807 VanDerWaalsContact O-CE2 3.27Å; G799-F807 WeakPolarHBondContact O-CE2 3.32Å
800C86.3Confident81.8Confident5 Ų565.2 Ų65.23%0.03436%0.362CS..  trans-84.9129.6174.7-179.70000110.4C771 C774 L778 F802 C803 D804C771-C800 HydrophobicContact CB-CB 3.74Å; C774-C800 PolarHBondContact SG-SG 3.46Å; L778-C800 HydrophobicContact CD2-CB 3.77Å; C800-F802 PolarHBondContact O-N 2.79Å; C800-F802 PolarHBondContact SG-N 2.98Å; C800-F802 VanDerWaalsContact SG-N 3.44Å; C800-C803 HydrophobicContact CB-CB 4.13Å; C800-C803 PolarHBondContact O-N 3.29Å; C800-D804 WeakPolarHBondContact O-CB 3.32Å; C800-D804 PolarHBondContact O-N 2.65Å
801V84.3Confident81.6Confident14 Ų1466.2 Ų66.29%0.08537%0.369CS..THydrogen-bonded Turntrans-54.4-28.8177.11790000113.2I723 F758 L779 V811I723-V801 HydrophobicContact CG2-CG2 4.3Å; F758-V801 HydrophobicContact CZ-CG2 4.33Å; L779-V801 HydrophobicContact CD1-CG2 3.2Å; L779-V801 HydrophobicContact CG-CG2 3.7Å; V801-V811 HydrophobicContact CG1-CG1 4.21Å; V801-V811 HydrophobicContact CG1-CG2 3.91Å
802F82.2Confident81.6Confident63 Ų6366.5 Ų66.528%0.27636%0.361SS..THydrogen-bonded Turntrans-99.6-29.2-175.2-51.9-67.9000114.4I723 L734 A776 C800 Q808I723-F802 HydrophobicContact CG2-CE2 4.33Å; L734-F802 HydrophobicContact CD1-CE1 3.91Å; L734-F802 HydrophobicContact CD1-CZ 3.55Å; A776-F802 HydrophobicContact CB-CD2 3.71Å; A776-F802 HydrophobicContact CB-CE2 3.72Å; C800-F802 PolarHBondContact O-N 2.79Å; C800-F802 PolarHBondContact SG-N 2.98Å; C800-F802 VanDerWaalsContact SG-N 3.44Å; F802-Q808 PolarHBondContact O-NE2 2.76Å
803C81.8Confident81.3Confident46 Ų4667 Ų6731%0.31135%0.346SS..THydrogen-bonded Turntrans-117.9-14.7-168.1-61.10000113.6C800C800-C803 HydrophobicContact CB-CB 4.13Å; C800-C803 PolarHBondContact O-N 3.29Å
804D84.7Confident80.7Confident25 Ų2563.9 Ų63.913%0.13433%0.325CS..  trans-81.2122.3178.7-174.3-71.2000110.4H797 C800 V806 F807 Q808H797-D804 IonicContact CD2-OD1 3.07Å; H797-D804 IonicContact CD2-OD2 3.36Å; H797-D804 IonicContact CE1-OD2 3.75Å; H797-D804 VanDerWaalsContact NE2-CG 3.33Å; H797-D804 IonicContact NE2-OD1 2.73Å; H797-D804 PolarHBondContact NE2-OD1 3.11Å; H797-D804 IonicContact NE2-OD2 3.45Å; H797-D804 PolarHBondContact NE2-OD2 2.97Å; C800-D804 WeakPolarHBondContact O-CB 3.32Å; C800-D804 PolarHBondContact O-N 2.65Å; D804-V806 PolarHBondContact O-N 2.83Å; D804-V806 WeakPolarHBondContact OD1-CA 3.41Å; D804-V806 WeakPolarHBondContact OD1-CB 3.37Å; D804-V806 PolarHBondContact OD1-N 2.93Å; D804-F807 HydrophobicContact CB-CB 4.15Å; D804-F807 HydrophobicContact CB-CD2 4.34Å; D804-F807 HydrophobicContact CB-CG 4.35Å; D804-F807 PolarHBondContact O-N 3.16Å; D804-F807 PolarHBondContact OD1-N 2.85Å; D804-F807 VanDerWaalsContact OD1-N 3.13Å; D804-Q808 WeakPolarHBondContact O-CG 3.28Å; D804-Q808 PolarHBondContact O-N 2.83Å
805P80.4Confident79.5Confident94 Ų9464 Ų6461%0.6133%0.325SS*.Hα-helixtrans-60-32.3-177.2-23.933.7000113.7
806V82.2Confident77.6Confident46 Ų4663.2 Ų63.228%0.27932%0.323SS..Hα-helixtrans-72.9-41.2179.9-177.10000110.1L790 D804 L810L790-V806 HydrophobicContact CD2-CG1 3.65Å; D804-V806 PolarHBondContact O-N 2.83Å; D804-V806 WeakPolarHBondContact OD1-CA 3.41Å; D804-V806 WeakPolarHBondContact OD1-CB 3.37Å; D804-V806 PolarHBondContact OD1-N 2.93Å; V806-L810 HydrophobicContact CG1-CD1 4.34Å; V806-L810 WeakPolarHBondContact O-CD1 3.4Å; V806-L810 WeakPolarHBondContact O-CG 3.34Å
807F84.6Confident75.1Confident0 Ų062.4 Ų62.40%033%0.334CS..Hα-helixtrans-75.5-30.6179.5-70.9-8.7000113.6F758 L779 V781 F783 H797 G799 D804 E809 L810 V811F758-F807 HydrophobicContact CD1-CD1 4.13Å; F758-F807 HydrophobicContact CD1-CE1 4.19Å; F758-F807 HydrophobicContact CE1-CB 3.94Å; F758-F807 AromaticContact CE1-CD1 3.41Å; F758-F807 HydrophobicContact CE1-CD1 3.41Å; F758-F807 VanDerWaalsContact CE1-CD1 3.41Å; F758-F807 AromaticContact CE1-CD2 3.89Å; F758-F807 HydrophobicContact CE1-CD2 3.89Å; F758-F807 AromaticContact CE1-CE1 3.69Å; F758-F807 HydrophobicContact CE1-CE1 3.69Å; F758-F807 HydrophobicContact CE1-CE2 4.16Å; F758-F807 AromaticContact CE1-CG 3.5Å; F758-F807 HydrophobicContact CE1-CG 3.5Å; F758-F807 VanDerWaalsContact CE1-CG 3.5Å; F758-F807 HydrophobicContact CE1-CZ 4.07Å; F758-F807 HydrophobicContact CZ-CB 4.43Å; F758-F807 HydrophobicContact CZ-CD1 4.26Å; F758-F807 AromaticContact CZ-CD2 3.91Å; F758-F807 HydrophobicContact CZ-CD2 3.91Å; F758-F807 HydrophobicContact CZ-CE1 4.41Å; F758-F807 HydrophobicContact CZ-CE2 4.1Å; F758-F807 AromaticContact CZ-CG 3.98Å; F758-F807 HydrophobicContact CZ-CG 3.98Å; F758-F807 HydrophobicContact CZ-CZ 4.35Å; L779-F807 HydrophobicContact CB-CE2 4.19Å; V781-F807 HydrophobicContact CB-CE1 4.19Å; V781-F807 HydrophobicContact CB-CZ 3.85Å; V781-F807 HydrophobicContact CG2-CE1 4.03Å; V781-F807 HydrophobicContact CG2-CE2 4.05Å; V781-F807 HydrophobicContact CG2-CZ 3.43Å; V781-F807 VanDerWaalsContact CG2-CZ 3.43Å; F783-F807 HydrophobicContact CE2-CE1 4.32Å; F783-F807 HydrophobicContact CZ-CE1 4.36Å; H797-F807 HydrophobicContact CB-CE1 4.09Å; H797-F807 HydrophobicContact CB-CZ 4.24Å; H797-F807 AromaticContact CD2-CD1 3.86Å; H797-F807 AromaticContact CD2-CE1 3.4Å; H797-F807 WeakPolarHBondContact CD2-CE1 3.16Å; H797-F807 AromaticContact CD2-CZ 3.57Å; G799-F807 WeakPolarHBondContact O-CD2 3.48Å; G799-F807 VanDerWaalsContact O-CE2 3.27Å; G799-F807 WeakPolarHBondContact O-CE2 3.32Å; D804-F807 HydrophobicContact CB-CB 4.15Å; D804-F807 HydrophobicContact CB-CD2 4.34Å; D804-F807 HydrophobicContact CB-CG 4.35Å; D804-F807 PolarHBondContact O-N 3.16Å; D804-F807 PolarHBondContact OD1-N 2.85Å; D804-F807 VanDerWaalsContact OD1-N 3.13Å; F807-E809 VanDerWaalsContact C-N 3.27Å; F807-E809 PolarHBondContact O-N 2.91Å; F807-L810 CarbonylContact O-C 3.39Å; F807-L810 PolarHBondContact O-N 2.79Å; F807-V811 WeakPolarHBondContact O-CG2 3.12Å; F807-V811 PolarHBondContact O-N 3.15Å
808Q77.7Confident72.3Confident108 Ų10864.5 Ų64.551%0.50535%0.354SS..Hα-helixtrans-58.4-37.5177.4-79.2179.2-9.800112.9F802 D804 L810F802-Q808 PolarHBondContact O-NE2 2.76Å; D804-Q808 WeakPolarHBondContact O-CG 3.28Å; D804-Q808 PolarHBondContact O-N 2.83Å; Q808-L810 VanDerWaalsContact C-N 3.26Å; Q808-L810 PolarHBondContact O-N 2.84Å
809E75.3Confident69.4Low177 Ų17766.7 Ų66.783%0.82738%0.376SS*.THydrogen-bonded Turntrans-75.3-15.4177.5-63.8-170.9170.700113.1F807F807-E809 VanDerWaalsContact C-N 3.27Å; F807-E809 PolarHBondContact O-N 2.91Å
810L79.4Confident66.5Low47 Ų4773.9 Ų73.925%0.24641%0.409CS..THydrogen-bonded Turntrans-106.74.9-174.7-60.8175000113.7C757 F758 F783 P789 V806 F807 Q808C757-L810 WeakPolarHBondContact CA-O 3.33Å; F758-L810 HydrophobicContact CD1-CB 4.26Å; F758-L810 PolarHBondContact N-O 2.93Å; F758-L810 VanDerWaalsContact N-O 3.07Å; F783-L810 HydrophobicContact CE1-CD1 4.19Å; F783-L810 HydrophobicContact CZ-CD1 3.76Å; P789-L810 HydrophobicContact CB-CD1 4.07Å; P789-L810 HydrophobicContact CB-CD2 4.06Å; P789-L810 HydrophobicContact CG-CD1 3.59Å; P789-L810 HydrophobicContact CG-CD2 4.22Å; V806-L810 HydrophobicContact CG1-CD1 4.34Å; V806-L810 WeakPolarHBondContact O-CD1 3.4Å; V806-L810 WeakPolarHBondContact O-CG 3.34Å; F807-L810 CarbonylContact O-C 3.39Å; F807-L810 PolarHBondContact O-N 2.79Å; Q808-L810 VanDerWaalsContact C-N 3.26Å; Q808-L810 PolarHBondContact O-N 2.84Å
811V79.2Confident63.8Low36 Ų3679.4 Ų79.422%0.21844%0.444CS..EExtended strand (participates in β ladder)trans-117.6114.9-178.7177.20000109.5A755 H756 C757 F758 V801 F807A755-V811 HydrophobicContact CB-CG1 4.19Å; H756-V811 WeakPolarHBondContact O-CA 3.36Å; C757-V811 HydrophobicContact CB-CG2 3.86Å; F758-V811 HydrophobicContact CE1-CG2 4.35Å; F758-V811 HydrophobicContact CZ-CG2 4.37Å; V801-V811 HydrophobicContact CG1-CG1 4.21Å; V801-V811 HydrophobicContact CG1-CG2 3.91Å; F807-V811 WeakPolarHBondContact O-CG2 3.12Å; F807-V811 PolarHBondContact O-N 3.15Å
812E73.3Confident61Low110 Ų11086.7 Ų86.751%0.51448%0.479SS..EExtended strand (participates in β ladder)trans-107.6110.5177.8-164.5-169.217100109.7H756 K814H756-E812 PolarHBondContact N-O 3.34Å; H756-E812 PolarHBondContact O-N 2.94Å; E812-K814 PolarHBondContact O-N 3.49Å; E812-K814 WeakPolarHBondContact OE1-CE 3.45Å; E812-K814 IonicContact OE1-NZ 3.65Å; E812-K814 PolarHBondContact OE1-NZ 3.04Å; E812-K814 WeakPolarHBondContact OE2-CE 3.48Å; E812-K814 IonicContact OE2-NZ 3.56Å; E812-K814 PolarHBondContact OE2-NZ 3.31Å
813L64.9Low58.5Low85 Ų8593 Ų9345%0.44551%0.509SS..EExtended strand (participates in β ladder)trans-78.7115.6-179.3-155.7145.9000110.1V727 V753V727-L813 HydrophobicContact CG2-CD1 4.03Å; V753-L813 HydrophobicContact CG1-CD2 4.42Å
814K59.8Low56.1Low84 Ų84101.9 Ų101.937%0.36554%0.536SS..EExtended strand (participates in β ladder)trans-115.8146.2177.1-72-176.4171.31420111.1V754 E812V754-K814 CarbonylContact C-O 3.45Å; V754-K814 PolarHBondContact N-O 3.15Å; V754-K814 VanDerWaalsContact N-O 3.16Å; V754-K814 CarbonylContact O-C 3.57Å; V754-K814 WeakPolarHBondContact O-CA 3.33Å; V754-K814 PolarHBondContact O-N 2.63Å; V754-K814 VanDerWaalsContact O-N 3.12Å; E812-K814 PolarHBondContact O-N 3.49Å; E812-K814 WeakPolarHBondContact OE1-CE 3.45Å; E812-K814 IonicContact OE1-NZ 3.65Å; E812-K814 PolarHBondContact OE1-NZ 3.04Å; E812-K814 WeakPolarHBondContact OE2-CE 3.48Å; E812-K814 IonicContact OE2-NZ 3.56Å; E812-K814 PolarHBondContact OE2-NZ 3.31Å
815H54.9Low53.4Low123 Ų123104.2 Ų104.257%0.56957%0.567SS**EExtended strand (participates in β ladder)trans-86.8128.8167.6-71.869000108.3A817H815-A817 PolarHBondContact O-N 2.95Å
816A43.3Very low51Low22 Ų22103.2 Ų103.218%0.18257%0.573CS.*  trans-61124.3174.800000109.2S752 V754 S818S752-A816 VanDerWaalsContact O-CB 3.24Å; S752-A816 WeakPolarHBondContact O-CB 3.36Å; S752-A816 PolarHBondContact O-N 3.12Å; V754-A816 HydrophobicContact CG2-CB 4.1Å; A816-S818 PolarHBondContact O-N 3.41Å
817A35.1Very low49Very low90 Ų90107.6 Ų107.674%0.74460%0.603SS**  trans-60.8112.2179.400000110.1H815 C819H815-A817 PolarHBondContact O-N 2.95Å; A817-C819 PolarHBondContact O-N 2.77Å
818S31.2Very low46.4Very low87 Ų87111.1 Ų111.161%0.60864%0.639SS**  trans-75115.8167.258.90000108.8A816 H820A816-S818 PolarHBondContact O-N 3.41Å; S818-H820 VanDerWaalsContact C-N 3.31Å; S818-H820 PolarHBondContact O-N 3.36Å
819C27.8Very low44.1Very low134 Ų134117.1 Ų117.191%0.90566%0.657SS**  trans-67.192.9162.6-72.60000108.7A817A817-C819 PolarHBondContact O-N 2.77Å
820H28.2Very low41.9Very low156 Ų156118.2 Ų118.272%0.72265%0.654SS**  trans-95.9140.2165-87.5-49.3000110.3S818 M822S818-H820 VanDerWaalsContact C-N 3.31Å; S818-H820 PolarHBondContact O-N 3.36Å; H820-M822 PolarHBondContact O-N 3.15Å
821P29.2Very low39.5Very low120 Ų120124 Ų12478%0.77968%0.68SS**  trans-65.5125.3171.2-8.923.2000109.9H823P821-H823 PolarHBondContact O-N 3.17Å
822M26.1Very low37.1Very low168 Ų168125.6 Ų125.683%0.82870%0.703SS**  trans-67.1109.6169.1-72.7179.48700109.8H820H820-M822 PolarHBondContact O-N 3.15Å
823H30.2Very low35.1Very low196 Ų196132.8 Ų132.891%0.90773%0.725SS**  trans-89105.8148.5-103.2-44.5000108.4P821 G825P821-H823 PolarHBondContact O-N 3.17Å; H823-G825 PolarHBondContact O-N 3.31Å
824R30.1Very low33.4Very low231 Ų231131.9 Ų131.987%0.87274%0.737SS**  trans-64.1116.5166.1-84.8179.4169.5176.3-2.9109.2
825G29.5Very low32Very low75 Ų75140.4 Ų140.477%0.77377%0.767SS**  trans-138.2102.3161.400000108.7H823H823-G825 PolarHBondContact O-N 3.31Å
826G29Very low30.8Very low73 Ų73137.8 Ų137.875%0.75377%0.773SS**  trans-71.2164.9176.500000112.9
827P41.3Very low30.3Very low138 Ų138148.8 Ų148.890%0.89681%0.81SS**  trans-96.2149-160.336.2-32.1000113.8
828G29Very low30Very low74 Ų74148.4 Ų148.476%0.76381%0.806SS**  trans-156.196172.500000114.2
829R29.2Very low29.9Very low233 Ų233156 Ų15688%0.87982%0.822SS**  trans47.4110.5143.3-77.4-179.5174.5-168.8-0.7118.9
830R29.5Very low30.1Very low200 Ų200161 Ų16176%0.75582%0.822SS**  88.512185.4-98.7-168.5177-178.1-0.3114.2
831Q29.3Very low30.8Very low170 Ų170159.5 Ų159.579%0.79483%0.826SS**  trans64134.8139.7-66.8173.8-5.200118.2
832G29Very low31.5Very low69 Ų69159.9 Ų159.971%0.71183%0.828SS**  cis176.7-179.5500000113.2
833R30.9Very low31.6Very low260 Ų260155.6 Ų155.698%0.98183%0.827SS**  trans29.1131.8149.6-62.7173.7170.6-176-3.3117.8
834G29.4Very low31.7Very low67 Ų67156.3 Ų156.369%0.69183%0.828SS**  cis155.3-173.310.300000111.3
835R30.7Very low31.8Very low262 Ų262151 Ų15199%0.98982%0.823SS**  trans72.6132.7170.8-57.4180172.2-175.1-2.3115.5
836G29.6Very low32.2Very low68 Ų68155.2 Ų155.270%0.70183%0.828SS**  cis146.5137.71.100000110.4
837R31.2Very low32.3Very low254 Ų254157.3 Ų157.396%0.95883%0.828SS**  trans69.1148.3161.9-68.5178.8173.3-175.5-2.9116.9
838A28.7Very low31.6Very low81 Ų81162 Ų16267%0.66983%0.828SS**  cis-174.2173.2-7.600000108.3
839R30.4Very low31.7Very low246 Ų246169.8 Ų169.893%0.92883%0.834SS**  trans91.7106.4155.7-63.4-178171.4176.6-3.2120.1
840R32.5Very low31.7Very low241 Ų241164.8 Ų164.891%0.90983%0.832SS**  trans-77.5153.8138.1-93.5179.4170.4177-2.1108.7
841P41.2Very low31.9Very low123 Ų123164.8 Ų164.880%0.79984%0.838SS**  -151.8-153.57343.9-20.3000113.7
842P44.3Very low32.3Very low128 Ų128161.7 Ų161.783%0.83183%0.826SS**  -122.9165.6-105.934.9-14.2000115.6
843G29.3Very low32.5Very low79 Ų79167.5 Ų167.581%0.81483%0.832SS**  trans159.6113.916500000115.2
844K32.5Very low32.6Very low211 Ų211162 Ų16292%0.91782%0.819SS**  trans-65.9165.2170.8-81.8178.7178.5177.60111.3
845P31.8Very low32.8Very low120 Ų120162.6 Ų162.678%0.77981%0.813SS**  cis-136167.726.734.9-13.2000116.9
846N38Very low32.8Very low162 Ų162153.7 Ų153.787%0.86680%0.796SS**  trans-35.5136.5174.4-103.9-10.3000116.3
847P29.7Very low33Very low117 Ų117156.4 Ų156.476%0.7679%0.793SS**  trans-115.6115.1141.730.5-16.3000110.5
848R27.8Very low32.9Very low237 Ų237148 Ų14889%0.89478%0.779SS**  trans30.2113.3141.9-65.4176175.7173.8-1.8117.1
849R30Very low33.1Very low237 Ų237148.2 Ų148.289%0.89478%0.78SS**  trans-43137.2157.4-70.2178.5176.2-178.4-2.2110.5K851R849-K851 PolarHBondContact O-N 2.96Å
850P30.6Very low33Very low128 Ų128146.7 Ų146.783%0.83178%0.776SS**PPolyproline II helixtrans-59.2129167.1-14.827.2000109D852P850-D852 PolarHBondContact O-N 3.29Å
851K32.3Very low33.1Very low200 Ų200143.8 Ų143.887%0.8777%0.77SS**PPolyproline II helixtrans-58.3126.2174.9-73.8177.2174-177.90109.3R849 K853R849-K851 PolarHBondContact O-N 2.96Å; K851-K853 PolarHBondContact O-N 3.43Å
852D37.9Very low32.9Very low105 Ų105147.9 Ų147.956%0.56179%0.792SS**PPolyproline II helixtrans-52.6118.5168.1-172.1-0.1000110.1P850 M854 S855P850-D852 PolarHBondContact O-N 3.29Å; D852-M854 PolarHBondContact O-N 2.91Å; D852-M854 VanDerWaalsContact OD1-CB 3.31Å; D852-M854 WeakPolarHBondContact OD1-CB 3.45Å; D852-M854 PolarHBondContact OD1-N 2.64Å; D852-S855 PolarHBondContact O-OG 2.98Å; D852-S855 VanDerWaalsContact O-OG 3.12Å
853K34.1Very low32.3Very low192 Ų192148.9 Ų148.984%0.83579%0.79SS**THydrogen-bonded Turntrans-78.7-3.9176.5-78.2-175.2176-178.40112.2K851K851-K853 PolarHBondContact O-N 3.43Å
854M33.1Very low32.5Very low143 Ų143152.6 Ų152.670%0.70479%0.789SS**THydrogen-bonded Turntrans-83.5-20.1176.3-70.4-77.6-86.700113.4D852 A856D852-M854 PolarHBondContact O-N 2.91Å; D852-M854 VanDerWaalsContact OD1-CB 3.31Å; D852-M854 WeakPolarHBondContact OD1-CB 3.45Å; D852-M854 PolarHBondContact OD1-N 2.64Å; M854-A856 VanDerWaalsContact C-N 3.32Å; M854-A856 PolarHBondContact O-N 2.97Å
855S33.7Very low32.5Very low81 Ų81149.3 Ų149.357%0.56678%0.782SS**THydrogen-bonded Turntrans-81.5-5.2177.356.30000114.6D852D852-S855 PolarHBondContact O-OG 2.98Å; D852-S855 VanDerWaalsContact O-OG 3.12Å
856A30.4Very low32.5Very low75 Ų75151.1 Ų151.162%0.6278%0.782SS**THydrogen-bonded Turntrans-85.9-6.7175.800000113.5M854M854-A856 VanDerWaalsContact C-N 3.32Å; M854-A856 PolarHBondContact O-N 2.97Å
857L33.5Very low32.2Very low124 Ų124150.4 Ų150.465%0.64978%0.777SS**SBendtrans-84.2-12.1177.4-84.1156.9000113.8
858A29.6Very low32.4Very low79 Ų79152.6 Ų152.665%0.65378%0.778SS**SBendtrans-95.1-6.5179.900000114.1
859A31.2Very low32.7Very low84 Ų84146.6 Ų146.669%0.69477%0.77SS**THydrogen-bonded Turntrans-99.57.6-175.100000114.4
860Y29.2Very low32.9Very low215 Ų215139.6 Ų139.684%0.84376%0.76SS**THydrogen-bonded Turntrans-104.68.7175.3-131-89.2000113.2
861F35.4Very low33.1Very low180 Ų180140.6 Ų140.679%0.78975%0.754SS**  trans-125.849.9-177.1-68.7-74.4000112.2
862V36.4Very low33.2Very low209 Ų209135.2 Ų135.2100%1.26774%0.744SS**  trans-123.60154.6-177.60000108

Retrieved 862 of 862 residues in 1047.5 ms (Link to these results)