A0A087Y0Z2_POEFO Loading...

CDC45 cell division cycle 45 homolog (S. cerevisiae)

AlphaFold DB , UniProt , Accession A0A087Y0Z2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 571 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
1M86.7Confident92Very high61 Ų6152.5 Ų52.530%0.328%0.277SS..  0149.2073.2-179.5-65.200112N108 V109 N111 D112 I115 K116 L117M1-N108 PolarHBondContact N-O 3.3Å; M1-V109 WeakPolarHBondContact CA-O 3.44Å; M1-V109 PolarHBondContact N-O 3.41Å; M1-N111 WeakPolarHBondContact CB-O 3.26Å; M1-N111 PolarHBondContact N-O 2.93Å; M1-D112 WeakPolarHBondContact CB-OD1 3.42Å; M1-D112 HydrophobicContact SD-CB 4.01Å; M1-D112 VanDerWaalsContact SD-O 3.36Å; M1-I115 PolarHBondContact N-O 3.26Å; M1-K116 HydrophobicContact CG-CD 3.88Å; M1-K116 HydrophobicContact SD-CD 4.08Å; M1-K116 PolarHBondContact SD-NZ 3.29Å; M1-L117 PolarHBondContact O-N 3.01Å
2F89.8Confident92.2Very high51 Ų5156.5 Ų56.522%0.22429%0.293CS..BIsolated β-bridgetrans-73.8144.1173.3-61.5-79000111.9V109 L117 I119 L125F2-V109 HydrophobicContact CD2-CG1 4.5Å; F2-V109 HydrophobicContact CE2-CG1 3.66Å; F2-V109 HydrophobicContact CE2-CG2 4.31Å; F2-V109 HydrophobicContact CZ-CG1 4.27Å; F2-V109 HydrophobicContact CZ-CG2 4.07Å; F2-L117 HydrophobicContact CD1-CB 3.93Å; F2-L117 HydrophobicContact CD1-CD1 4.06Å; F2-L117 HydrophobicContact CE1-CB 4.25Å; F2-L117 HydrophobicContact CE1-CD1 3.73Å; F2-L117 HydrophobicContact CZ-CD1 3.95Å; F2-I119 HydrophobicContact CD1-CB 4.1Å; F2-I119 HydrophobicContact CD1-CG2 4.47Å; F2-I119 HydrophobicContact CE1-CB 4.05Å; F2-I119 HydrophobicContact CE1-CD1 4.35Å; F2-I119 HydrophobicContact CE1-CG2 4.12Å; F2-L125 HydrophobicContact CE1-CD1 3.45Å; F2-L125 VanDerWaalsContact CE1-CD1 3.45Å; F2-L125 HydrophobicContact CE2-CD1 4.19Å; F2-L125 HydrophobicContact CZ-CD1 3.2Å
3I90.6Very high92.4Very high17 Ų1756.2 Ų56.29%0.08730%0.295CS..  trans-85.8125173.2-71.7162.2000109.5D9 F10 F96 K116 L117 L118I3-D9 HydrophobicContact CG1-CB 4.39Å; I3-D9 HydrophobicContact CG2-CB 3.68Å; I3-F10 HydrophobicContact CD1-CB 4.11Å; I3-F96 HydrophobicContact CD1-CD1 3.96Å; I3-F96 HydrophobicContact CD1-CE1 4.29Å; I3-K116 HydrophobicContact CD1-CB 3.76Å; I3-K116 HydrophobicContact CG1-CB 3.97Å; I3-L117 PolarHBondContact N-O 3.05Å; I3-L118 HydrophobicContact CD1-CD2 3.3Å; I3-L118 HydrophobicContact CD1-CG 3.68Å
4A87.1Confident92.6Very high85 Ų8552.1 Ų52.170%0.70227%0.273SS*.SBendtrans-82.1-41176.500000112.3
5D91.2Very high92.5Very high55 Ų5550.5 Ų50.529%0.29427%0.27SS..  trans-121.498.6178.3-173-21.8000110.8K7 K8 D9D5-K7 PolarHBondContact O-N 3.04Å; D5-K7 WeakPolarHBondContact OD1-CB 3.47Å; D5-K7 PolarHBondContact OD1-N 3.15Å; D5-K8 HydrophobicContact CB-CB 4.21Å; D5-K8 PolarHBondContact O-N 2.95Å; D5-K8 PolarHBondContact OD1-N 3.02Å; D5-K8 WeakPolarHBondContact OD2-CD 3.3Å; D5-K8 WeakPolarHBondContact OD2-CG 3.43Å; D5-D9 PolarHBondContact N-OD2 2.95Å; D5-D9 WeakPolarHBondContact O-CB 3.48Å; D5-D9 PolarHBondContact O-N 3.13Å
6I92.6Very high92.3Very high29 Ų2956.6 Ų56.615%0.14930%0.303CS..Iπ-helixtrans-58-23.7-178.7-163.9161.9000113.6F10 Y11 L118 L209I6-F10 HydrophobicContact CG1-CD1 4.15Å; I6-F10 WeakPolarHBondContact O-CB 3.39Å; I6-Y11 PolarHBondContact O-N 3.38Å; I6-L118 HydrophobicContact CD1-CD2 3.77Å; I6-L118 HydrophobicContact CG1-CD2 3.64Å; I6-L209 HydrophobicContact CD1-CB 4Å; I6-L209 HydrophobicContact CG1-CB 4.23Å; I6-L209 HydrophobicContact CG1-CD1 4.16Å; I6-L209 HydrophobicContact CG1-CD2 4.45Å; I6-L209 HydrophobicContact CG2-CB 4.3Å; I6-L209 HydrophobicContact CG2-CD1 3.99Å
7K94.1Very high92.4Very high73 Ų7358 Ų5832%0.31731%0.307SS..Iπ-helixtrans-78.4-53.4176.4175.7179.2175.3-177.10110.7D5 Y11 E12 V212 L213D5-K7 PolarHBondContact O-N 3.04Å; D5-K7 WeakPolarHBondContact OD1-CB 3.47Å; D5-K7 PolarHBondContact OD1-N 3.15Å; K7-Y11 PolarHBondContact O-N 3.14Å; K7-E12 WeakPolarHBondContact CE-OE1 3.4Å; K7-E12 HydrophobicContact CG-CG 4.35Å; K7-E12 WeakPolarHBondContact O-CG 3.28Å; K7-E12 PolarHBondContact O-N 3.3Å; K7-V212 HydrophobicContact CB-CG1 3.91Å; K7-V212 HydrophobicContact CD-CG1 4.08Å; K7-L213 HydrophobicContact CD-CD2 3.99Å; K7-L213 HydrophobicContact CG-CD2 3.85Å
8K94.3Very high92.6Very high125 Ų12562.8 Ų62.854%0.54332%0.321SS..Iπ-helixtrans-76.6-45-174.1-70.4-177.5-174.8166.80113D5 V13D5-K8 HydrophobicContact CB-CB 4.21Å; D5-K8 PolarHBondContact O-N 2.95Å; D5-K8 PolarHBondContact OD1-N 3.02Å; D5-K8 WeakPolarHBondContact OD2-CD 3.3Å; D5-K8 WeakPolarHBondContact OD2-CG 3.43Å; K8-V13 WeakPolarHBondContact O-CG2 3.37Å
9D93.7Very high92.8Very high75 Ų7559.5 Ų59.540%0.40130%0.304SS..Iπ-helixtrans-84.8-17.9-170.1-56.5-30.2000112I3 D5 V13 F96I3-D9 HydrophobicContact CG1-CB 4.39Å; I3-D9 HydrophobicContact CG2-CB 3.68Å; D5-D9 PolarHBondContact N-OD2 2.95Å; D5-D9 WeakPolarHBondContact O-CB 3.48Å; D5-D9 PolarHBondContact O-N 3.13Å; D9-V13 WeakPolarHBondContact O-CG2 3.39Å; D9-F96 WeakPolarHBondContact O-CE1 3.45Å
10F95.8Very high93.1Very high0 Ų056.6 Ų56.60%029%0.289CS..Iπ-helixtrans-119-69.2176.6164.9-114.6000112.8I3 I6 E12 V13 V14 L36 V73 F96 L118 F206 L209I3-F10 HydrophobicContact CD1-CB 4.11Å; I6-F10 HydrophobicContact CG1-CD1 4.15Å; I6-F10 WeakPolarHBondContact O-CB 3.39Å; F10-E12 PolarHBondContact O-N 2.96Å; F10-V13 WeakPolarHBondContact O-CB 3.22Å; F10-V13 PolarHBondContact O-N 3.48Å; F10-V13 VanDerWaalsContact O-N 3.14Å; F10-V14 HydrophobicContact CD2-CG1 4.17Å; F10-V14 HydrophobicContact CD2-CG2 4.5Å; F10-V14 HydrophobicContact CE2-CG1 4.04Å; F10-V14 HydrophobicContact CE2-CG2 4.17Å; F10-V14 HydrophobicContact CZ-CG2 4.41Å; F10-V14 PolarHBondContact O-N 3.25Å; F10-V14 VanDerWaalsContact O-N 3.08Å; F10-L36 HydrophobicContact CE1-CD1 4.26Å; F10-L36 HydrophobicContact CZ-CD1 4.2Å; F10-L36 HydrophobicContact CZ-CD2 4.49Å; F10-V73 HydrophobicContact CE2-CG1 4.46Å; F10-V73 HydrophobicContact CE2-CG2 3.81Å; F10-V73 HydrophobicContact CZ-CG1 4.45Å; F10-V73 HydrophobicContact CZ-CG2 4.31Å; F10-F96 HydrophobicContact CB-CD1 4.11Å; F10-F96 HydrophobicContact CB-CE1 4Å; F10-F96 HydrophobicContact CD2-CB 3.89Å; F10-F96 AromaticContact CD2-CD1 3.43Å; F10-F96 HydrophobicContact CD2-CD1 3.43Å; F10-F96 VanDerWaalsContact CD2-CD1 3.43Å; F10-F96 AromaticContact CD2-CD2 3.8Å; F10-F96 HydrophobicContact CD2-CD2 3.8Å; F10-F96 AromaticContact CD2-CE1 3.79Å; F10-F96 HydrophobicContact CD2-CE1 3.79Å; F10-F96 HydrophobicContact CD2-CE2 4.11Å; F10-F96 AromaticContact CD2-CG 3.43Å; F10-F96 HydrophobicContact CD2-CG 3.43Å; F10-F96 VanDerWaalsContact CD2-CG 3.43Å; F10-F96 HydrophobicContact CD2-CZ 4.11Å; F10-F96 HydrophobicContact CE2-CB 3.89Å; F10-F96 HydrophobicContact CE2-CD1 4.26Å; F10-F96 HydrophobicContact CE2-CD2 4.01Å; F10-F96 AromaticContact CE2-CG 3.81Å; F10-F96 HydrophobicContact CE2-CG 3.81Å; F10-F96 HydrophobicContact CG-CD1 4.2Å; F10-F96 HydrophobicContact CG-CE1 4.41Å; F10-L118 HydrophobicContact CB-CD2 3.86Å; F10-L118 HydrophobicContact CD1-CD1 4.26Å; F10-L118 HydrophobicContact CD1-CD2 4.01Å; F10-L118 HydrophobicContact CD2-CD1 4.15Å; F10-L118 HydrophobicContact CE1-CD1 4.28Å; F10-L118 HydrophobicContact CE2-CD1 4.14Å; F10-L118 HydrophobicContact CG-CD1 4.18Å; F10-L118 HydrophobicContact CG-CD2 3.87Å; F10-L118 HydrophobicContact CZ-CD1 4.2Å; F10-F206 HydrophobicContact CE1-CD1 4.45Å; F10-F206 AromaticContact CE1-CE1 3.79Å; F10-F206 HydrophobicContact CE1-CE1 3.79Å; F10-F206 HydrophobicContact CZ-CE1 4Å; F10-L209 HydrophobicContact CD1-CD2 3.91Å; F10-L209 HydrophobicContact CE1-CD2 3.66Å
11Y95.8Very high93.3Very high7 Ų753.9 Ų53.93%0.02728%0.275CS..Iπ-helixtrans-65.3-45-165.1-166.4-98.4000113.4I6 K7 V13 V14 A15 L39 F40 D43 I45 L209 L213I6-Y11 PolarHBondContact O-N 3.38Å; K7-Y11 PolarHBondContact O-N 3.14Å; Y11-V13 VanDerWaalsContact C-N 3.26Å; Y11-V13 PolarHBondContact O-N 2.88Å; Y11-V14 WeakPolarHBondContact O-CG2 3.29Å; Y11-V14 PolarHBondContact O-N 3.08Å; Y11-A15 WeakPolarHBondContact O-CB 3.36Å; Y11-A15 PolarHBondContact O-N 3.31Å; Y11-L39 HydrophobicContact CE2-CB 3.92Å; Y11-L39 HydrophobicContact CE2-CD1 4.29Å; Y11-L39 PolarHBondContact OH-O 3.14Å; Y11-F40 HydrophobicContact CD2-CE1 4.44Å; Y11-F40 HydrophobicContact CE2-CD1 4.07Å; Y11-F40 HydrophobicContact CE2-CE1 4.03Å; Y11-D43 WeakPolarHBondContact CE1-OD2 3.5Å; Y11-D43 VanDerWaalsContact CZ-OD2 3.3Å; Y11-D43 PolarHBondContact OH-OD2 2.84Å; Y11-I45 HydrophobicContact CE1-CD1 4.48Å; Y11-I45 HydrophobicContact CE2-CD1 4.24Å; Y11-L209 HydrophobicContact CD2-CD1 4.45Å; Y11-L209 HydrophobicContact CD2-CD2 3.82Å; Y11-L209 HydrophobicContact CD2-CG 4.47Å; Y11-L209 HydrophobicContact CG-CD1 4.26Å; Y11-L209 HydrophobicContact CG-CD2 4.4Å; Y11-L213 HydrophobicContact CD1-CD1 3.57Å; Y11-L213 HydrophobicContact CD1-CD2 3.81Å; Y11-L213 HydrophobicContact CD1-CG 4.33Å; Y11-L213 HydrophobicContact CD2-CD1 3.97Å; Y11-L213 HydrophobicContact CE1-CD1 3.52Å; Y11-L213 HydrophobicContact CE1-CD2 4.18Å; Y11-L213 HydrophobicContact CE2-CD1 3.91Å; Y11-L213 HydrophobicContact CG-CD1 3.79Å; Y11-L213 HydrophobicContact CG-CD2 4.45Å
12E95.1Very high93.8Very high100 Ų10051.1 Ų51.147%0.46726%0.261SS..Hα-helixtrans-66.4-29.1177.1-71.5179.3179.700112.3K7 F10K7-E12 WeakPolarHBondContact CE-OE1 3.4Å; K7-E12 HydrophobicContact CG-CG 4.35Å; K7-E12 WeakPolarHBondContact O-CG 3.28Å; K7-E12 PolarHBondContact O-N 3.3Å; F10-E12 PolarHBondContact O-N 2.96Å
13V94.9Very high94.2Very high52 Ų5248.7 Ų48.732%0.31525%0.251SS..Hα-helixtrans-67.7-45.8175.5-179.60000110.8K8 D9 F10 Y11 Q17 Y71 F96K8-V13 WeakPolarHBondContact O-CG2 3.37Å; D9-V13 WeakPolarHBondContact O-CG2 3.39Å; F10-V13 WeakPolarHBondContact O-CB 3.22Å; F10-V13 PolarHBondContact O-N 3.48Å; F10-V13 VanDerWaalsContact O-N 3.14Å; Y11-V13 VanDerWaalsContact C-N 3.26Å; Y11-V13 PolarHBondContact O-N 2.88Å; V13-Q17 VanDerWaalsContact O-CG 3.28Å; V13-Q17 WeakPolarHBondContact O-CG 3.29Å; V13-Y71 HydrophobicContact CG1-CD1 4.4Å; V13-Y71 HydrophobicContact CG1-CE1 3.6Å; V13-F96 HydrophobicContact CB-CZ 4.25Å; V13-F96 HydrophobicContact CG1-CZ 4.1Å
14V94.7Very high94.5Very high0 Ų047.9 Ų47.90%025%0.247CC..Hα-helixtrans-81.3-18.4-177.3-59.80000113.6F10 Y11 N16 Q17 V19 F40 F96F10-V14 HydrophobicContact CD2-CG1 4.17Å; F10-V14 HydrophobicContact CD2-CG2 4.5Å; F10-V14 HydrophobicContact CE2-CG1 4.04Å; F10-V14 HydrophobicContact CE2-CG2 4.17Å; F10-V14 HydrophobicContact CZ-CG2 4.41Å; F10-V14 PolarHBondContact O-N 3.25Å; F10-V14 VanDerWaalsContact O-N 3.08Å; Y11-V14 WeakPolarHBondContact O-CG2 3.29Å; Y11-V14 PolarHBondContact O-N 3.08Å; V14-N16 PolarHBondContact O-N 3.15Å; V14-N16 VanDerWaalsContact O-N 3.1Å; V14-Q17 PolarHBondContact O-N 3.14Å; V14-V19 HydrophobicContact CB-CG2 3.85Å; V14-V19 HydrophobicContact CG1-CG2 4.32Å; V14-F40 HydrophobicContact CG2-CE1 4.07Å; V14-F40 HydrophobicContact CG2-CZ 4.2Å; V14-F96 HydrophobicContact CG1-CD2 3.87Å; V14-F96 HydrophobicContact CG1-CE2 3.44Å; V14-F96 VanDerWaalsContact CG1-CE2 3.44Å; V14-F96 HydrophobicContact CG1-CZ 4.22Å
15A91.9Very high94.9Very high27 Ų2745.2 Ų45.222%0.22323%0.225CC..THydrogen-bonded Turntrans-56.6-31.9-172.100000115.2Y11 I45Y11-A15 WeakPolarHBondContact O-CB 3.36Å; Y11-A15 PolarHBondContact O-N 3.31Å; A15-I45 HydrophobicContact CB-CD1 4.16Å
16N89.4Confident95Very high149 Ų14943.1 Ų43.180%0.79721%0.213SC*.THydrogen-bonded Turntrans-109.317.8-179.5-65.6-52000113.1V14V14-N16 PolarHBondContact O-N 3.15Å; V14-N16 VanDerWaalsContact O-N 3.1Å
17Q93.7Very high95.3Very high80 Ų8041.7 Ų41.737%0.37421%0.206SC..SBendtrans-119.1164.9-172.6-57.6-62.9-22.900111.3V13 V14 Y71V13-Q17 VanDerWaalsContact O-CG 3.28Å; V13-Q17 WeakPolarHBondContact O-CG 3.29Å; V14-Q17 PolarHBondContact O-N 3.14Å; Q17-Y71 HydrophobicContact CB-CD2 3.58Å; Q17-Y71 HydrophobicContact CB-CE2 3.81Å; Q17-Y71 HydrophobicContact CB-CG 4.31Å; Q17-Y71 HydrophobicContact CG-CD2 3.73Å; Q17-Y71 HydrophobicContact CG-CE2 3.38Å
18R95.1Very high95.4Very high145 Ų14538.3 Ų38.355%0.54719%0.191SC..EExtended strand (participates in β ladder)trans-86.9128.5165.5-72.2-175.2176.7172.32.7109.1Q46 F69R18-Q46 WeakPolarHBondContact CA-O 3.35Å; R18-Q46 HydrophobicContact CG-CB 4.33Å; R18-Q46 HydrophobicContact CG-CG 4.27Å; R18-F69 HydrophobicContact CB-CD1 3.94Å; R18-F69 HydrophobicContact CB-CE1 3.92Å
19V97.4Very high95.6Very high0 Ų032.3 Ų32.30%017%0.166CC..EExtended strand (participates in β ladder)trans-119.2129.4-172.9-174.60000111V14 F40 I45 Q46 Y47 T48 Y71 V73V14-V19 HydrophobicContact CB-CG2 3.85Å; V14-V19 HydrophobicContact CG1-CG2 4.32Å; V19-F40 HydrophobicContact CB-CE2 4.46Å; V19-F40 HydrophobicContact CG1-CE2 4.3Å; V19-I45 HydrophobicContact CG2-CG2 4.3Å; V19-Q46 PolarHBondContact N-O 2.91Å; V19-Y47 CarbonylContact O-C 3.51Å; V19-Y47 WeakPolarHBondContact O-CA 3.45Å; V19-Y47 WeakPolarHBondContact O-CB 3.41Å; V19-T48 PolarHBondContact O-N 2.88Å; V19-Y71 WeakPolarHBondContact CA-O 3.4Å; V19-V73 HydrophobicContact CG1-CB 4.24Å; V19-V73 HydrophobicContact CG1-CG2 3.49Å; V19-V73 VanDerWaalsContact CG1-CG2 3.49Å
20A97.9Very high95.8Very high1 Ų128.8 Ų28.81%0.00815%0.146CC..EExtended strand (participates in β ladder)trans-91119.7165.600000109.1F69 Y71 F72 V73A20-F69 HydrophobicContact CB-CB 4.02Å; A20-F69 HydrophobicContact CB-CD1 4.01Å; A20-F69 HydrophobicContact CB-CD2 4.1Å; A20-F69 HydrophobicContact CB-CG 3.78Å; A20-Y71 PolarHBondContact N-O 3.11Å; A20-F72 HydrophobicContact CB-CD1 3.61Å; A20-F72 HydrophobicContact CB-CE1 3.72Å; A20-F72 WeakPolarHBondContact O-CA 3.4Å; A20-V73 PolarHBondContact O-N 3.26Å
21L97.9Very high95.9Very high0 Ų028.8 Ų28.80%015%0.146CC..EExtended strand (participates in β ladder)trans-104.898.4-178-177.963000109.6V23 L36 Q37 Y47 T48 L49 V50 V73 I75L21-V23 HydrophobicContact CD1-CG2 4.19Å; L21-V23 HydrophobicContact CD2-CG2 4.25Å; L21-V23 HydrophobicContact CG-CG2 3.72Å; L21-L36 HydrophobicContact CD1-CD2 3.78Å; L21-L36 HydrophobicContact CD2-CD2 4.45Å; L21-Q37 HydrophobicContact CD2-CG 4.49Å; L21-Y47 HydrophobicContact CB-CD2 4.49Å; L21-Y47 HydrophobicContact CD2-CD2 4.37Å; L21-T48 PolarHBondContact N-O 2.95Å; L21-L49 HydrophobicContact CD2-CD1 4.11Å; L21-L49 HydrophobicContact CG-CD1 4.25Å; L21-V50 PolarHBondContact O-N 2.68Å; L21-V73 CarbonylContact C-O 3.56Å; L21-V73 WeakPolarHBondContact CA-O 3.37Å; L21-V73 HydrophobicContact CD1-CB 3.73Å; L21-V73 HydrophobicContact CD1-CG1 3.65Å; L21-I75 HydrophobicContact CD1-CD1 3.75Å; L21-I75 HydrophobicContact CD1-CG1 4.05Å
22L98.1Very high96Very high2 Ų228.4 Ų28.41%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-90.6119178.3-67.5158.2000108.8V50 V52 A61 F72 V73 L74 I75L22-V50 WeakPolarHBondContact CA-O 3.44Å; L22-V50 HydrophobicContact CD2-CB 3.93Å; L22-V50 HydrophobicContact CD2-CG1 4.01Å; L22-V52 HydrophobicContact CD2-CG1 3.88Å; L22-A61 HydrophobicContact CD2-CB 3.79Å; L22-F72 HydrophobicContact CD1-CD1 4.1Å; L22-V73 PolarHBondContact N-O 2.78Å; L22-L74 HydrophobicContact CB-CG 4.22Å; L22-L74 HydrophobicContact CD1-CD1 4Å; L22-L74 HydrophobicContact CD1-CG 4.17Å; L22-L74 CarbonylContact O-C 3.51Å; L22-L74 WeakPolarHBondContact O-CA 3.29Å; L22-I75 PolarHBondContact O-N 2.85Å
23V98.3Very high96.2Very high0 Ų023.7 Ų23.70%012%0.123CC..EExtended strand (participates in β ladder)trans-127122.9-172-173.70000111L21 G29 C33 L49 V50 V52 I75 F402L21-V23 HydrophobicContact CD1-CG2 4.19Å; L21-V23 HydrophobicContact CD2-CG2 4.25Å; L21-V23 HydrophobicContact CG-CG2 3.72Å; V23-G29 WeakPolarHBondContact CG1-O 3.17Å; V23-C33 HydrophobicContact CG1-CB 4.02Å; V23-C33 HydrophobicContact CG2-CB 4.08Å; V23-L49 HydrophobicContact CB-CD1 4.29Å; V23-L49 HydrophobicContact CG2-CD1 3.6Å; V23-V50 PolarHBondContact N-O 2.91Å; V23-V52 WeakPolarHBondContact O-CG2 3.38Å; V23-V52 PolarHBondContact O-N 2.98Å; V23-I75 HydrophobicContact CG1-CB 4.19Å; V23-I75 HydrophobicContact CG1-CG2 4.39Å; V23-I75 HydrophobicContact CG2-CB 4.31Å; V23-I75 HydrophobicContact CG2-CD1 4.2Å; V23-I75 HydrophobicContact CG2-CG1 4.43Å; V23-F402 HydrophobicContact CB-CE2 4.42Å; V23-F402 HydrophobicContact CB-CZ 3.92Å; V23-F402 HydrophobicContact CG1-CE2 4.08Å; V23-F402 HydrophobicContact CG1-CZ 3.72Å
24A96.8Very high96.3Very high1 Ų122.5 Ų22.51%0.00811%0.114CC..EExtended strand (participates in β ladder)trans-61.8143.7173.400000111.8D26 V52 I75 N76 C77 F547A24-D26 PolarHBondContact O-N 3.39Å; A24-V52 WeakPolarHBondContact CA-O 3.22Å; A24-I75 WeakPolarHBondContact CB-O 3.34Å; A24-I75 PolarHBondContact N-O 3.2Å; A24-N76 HydrophobicContact CB-CB 3.86Å; A24-N76 VanDerWaalsContact CB-O 3.31Å; A24-N76 WeakPolarHBondContact CB-O 3.16Å; A24-C77 HydrophobicContact CB-CB 4.34Å; A24-F547 HydrophobicContact CB-CD2 3.79Å; A24-F547 HydrophobicContact CB-CE2 3.7Å
25A93.8Very high96.4Very high29 Ų2922.5 Ų22.524%0.2411%0.114CC..SBendtrans-77.865.7178.600000112.7V52 T53 L388 F402A25-V52 PolarHBondContact N-O 3.14Å; A25-V52 VanDerWaalsContact N-O 3.1Å; A25-T53 HydrophobicContact CB-CG2 4.13Å; A25-L388 HydrophobicContact CB-CD1 4.32Å; A25-L388 VanDerWaalsContact O-CD2 3.29Å; A25-L388 WeakPolarHBondContact O-CD2 3.46Å; A25-F402 HydrophobicContact CB-CD2 4.24Å
26D95Very high96.7Very high10 Ų1021.2 Ų21.25%0.05310%0.103CC..SBendtrans-134.3167.7169.772.267.4000111.9A24 D28 G29 L30 N76A24-D26 PolarHBondContact O-N 3.39Å; D26-D28 PolarHBondContact OD1-N 3.23Å; D26-D28 VanDerWaalsContact OD1-N 3.07Å; D26-G29 PolarHBondContact O-N 2.88Å; D26-G29 PolarHBondContact OD1-N 3.22Å; D26-L30 VanDerWaalsContact O-CG 3.27Å; D26-L30 WeakPolarHBondContact O-CG 3.43Å; D26-L30 PolarHBondContact O-N 2.94Å; D26-N76 PolarHBondContact OD1-ND2 3.37Å; D26-N76 VanDerWaalsContact OD2-CB 3.23Å; D26-N76 WeakPolarHBondContact OD2-CB 3.4Å; D26-N76 PolarHBondContact OD2-ND2 3.27Å; D26-N76 VanDerWaalsContact OD2-ND2 3.13Å
27I97.1Very high97.1Very high0 Ų015.5 Ų15.50%07%0.072CC..Hα-helixtrans-74.8-34.8-169.8-62.681000111.3L30 C31 I226 D230 V381 A384 A385 L469I27-L30 PolarHBondContact O-N 3.1Å; I27-C31 PolarHBondContact O-N 3.29Å; I27-C31 PolarHBondContact O-SG 2.99Å; I27-I226 HydrophobicContact CG2-CG2 3.8Å; I27-D230 HydrophobicContact CB-CB 3.95Å; I27-D230 HydrophobicContact CG2-CB 4.07Å; I27-V381 HydrophobicContact CG2-CG2 4.38Å; I27-A384 HydrophobicContact CG1-CB 4.16Å; I27-A384 HydrophobicContact CG2-CB 4.37Å; I27-A385 HydrophobicContact CD1-CB 3.73Å; I27-A385 HydrophobicContact CG1-CB 4.26Å; I27-L469 HydrophobicContact CD1-CD1 4.19Å
28D97.9Very high97.2Very high1 Ų113 Ų131%0.0057%0.065CC..Hα-helixtrans-65.7-42.1174-176.640000110.9D26 C31 A32 N76 T100 S201 A202 A203 G227D26-D28 PolarHBondContact OD1-N 3.23Å; D26-D28 VanDerWaalsContact OD1-N 3.07Å; D28-C31 PolarHBondContact O-N 3.01Å; D28-A32 VanDerWaalsContact O-CB 3.28Å; D28-A32 WeakPolarHBondContact O-CB 3.39Å; D28-A32 PolarHBondContact O-N 3.38Å; D28-N76 PolarHBondContact OD2-ND2 2.95Å; D28-T100 WeakPolarHBondContact OD2-CG2 3.36Å; D28-S201 PolarHBondContact OD1-OG 3.45Å; D28-S201 WeakPolarHBondContact OD2-CA 3.44Å; D28-A202 PolarHBondContact OD2-N 2.92Å; D28-A203 VanDerWaalsContact OD1-CB 3.28Å; D28-A203 WeakPolarHBondContact OD1-CB 3.4Å; D28-A203 PolarHBondContact OD1-N 2.9Å; D28-A203 VanDerWaalsContact OD1-N 3.12Å; D28-G227 WeakPolarHBondContact OD1-CA 3.33Å
29G97.3Very high97.3Very high0 Ų06.1 Ų6.10%04%0.039CC..Hα-helixtrans-62.1-42.2174.100000112.7V23 D26 C31 C33 N76V23-G29 WeakPolarHBondContact CG1-O 3.17Å; D26-G29 PolarHBondContact O-N 2.88Å; D26-G29 PolarHBondContact OD1-N 3.22Å; G29-C31 PolarHBondContact O-N 2.9Å; G29-C33 WeakPolarHBondContact O-CB 3.39Å; G29-C33 PolarHBondContact O-N 3.35Å; G29-N76 PolarHBondContact N-ND2 3.01Å
30L97.6Very high97.3Very high0 Ų06.2 Ų6.20%04%0.039CC..Hα-helixtrans-58.8-46.1171.4-72.6172.4000111.5D26 I27 C33 K34 L388 F402 A405 L406 L409D26-L30 VanDerWaalsContact O-CG 3.27Å; D26-L30 WeakPolarHBondContact O-CG 3.43Å; D26-L30 PolarHBondContact O-N 2.94Å; I27-L30 PolarHBondContact O-N 3.1Å; L30-C33 PolarHBondContact O-N 2.7Å; L30-K34 WeakPolarHBondContact O-CG 3.37Å; L30-K34 PolarHBondContact O-N 2.98Å; L30-L388 HydrophobicContact CD1-CD1 4.49Å; L30-L388 HydrophobicContact CD1-CD2 4.33Å; L30-F402 HydrophobicContact CD2-CD1 4.08Å; L30-F402 HydrophobicContact CD2-CD2 3.78Å; L30-F402 HydrophobicContact CD2-CE1 3.76Å; L30-F402 HydrophobicContact CD2-CE2 3.44Å; L30-F402 VanDerWaalsContact CD2-CE2 3.44Å; L30-F402 HydrophobicContact CD2-CG 4.09Å; L30-F402 HydrophobicContact CD2-CZ 3.44Å; L30-F402 VanDerWaalsContact CD2-CZ 3.44Å; L30-F402 HydrophobicContact CG-CE2 4.2Å; L30-F402 HydrophobicContact CG-CZ 4.47Å; L30-A405 HydrophobicContact CD1-CB 3.67Å; L30-L406 HydrophobicContact CB-CD1 4.37Å; L30-L406 HydrophobicContact CD2-CB 3.9Å; L30-L406 HydrophobicContact CD2-CD1 3.78Å; L30-L406 HydrophobicContact CD2-CG 4.44Å; L30-L409 HydrophobicContact CB-CD1 4.01Å
31C98.3Very high97.1Very high0 Ų013.3 Ų13.30%07%0.072CC..Hα-helixtrans-66.8-45.7-179.4-68.70000112.2I27 D28 G29 C33 K34 I35 A203 W223 I226I27-C31 PolarHBondContact O-N 3.29Å; I27-C31 PolarHBondContact O-SG 2.99Å; D28-C31 PolarHBondContact O-N 3.01Å; G29-C31 PolarHBondContact O-N 2.9Å; C31-C33 VanDerWaalsContact C-N 3.33Å; C31-C33 PolarHBondContact O-N 3.42Å; C31-K34 PolarHBondContact O-N 2.86Å; C31-I35 WeakPolarHBondContact O-CG1 3.44Å; C31-I35 PolarHBondContact O-N 2.95Å; C31-I35 VanDerWaalsContact O-N 3.11Å; C31-A203 HydrophobicContact CB-CB 3.72Å; C31-W223 HydrophobicContact CB-CB 4.09Å; C31-W223 VanDerWaalsContact CB-O 3.23Å; C31-W223 WeakPolarHBondContact CB-O 3.42Å; C31-W223 PolarHBondContact SG-O 2.8Å; C31-W223 VanDerWaalsContact SG-O 3.42Å; C31-I226 VanDerWaalsContact SG-CG2 3.52Å
32A98.3Very high97Very high0 Ų017.1 Ų17.10%010%0.097CC..Hα-helixtrans-55.9-47.417300000111.6D28 K34 I35 L36 I75 A202 A203 F206D28-A32 VanDerWaalsContact O-CB 3.28Å; D28-A32 WeakPolarHBondContact O-CB 3.39Å; D28-A32 PolarHBondContact O-N 3.38Å; A32-K34 PolarHBondContact O-N 3.01Å; A32-I35 PolarHBondContact O-N 3.38Å; A32-L36 PolarHBondContact O-N 3.02Å; A32-I75 HydrophobicContact CB-CD1 4.28Å; A32-I75 HydrophobicContact CB-CG2 3.64Å; A32-A202 HydrophobicContact CB-CB 3.94Å; A32-A203 HydrophobicContact CB-CB 4.27Å; A32-F206 HydrophobicContact CB-CD2 3.73Å; A32-F206 HydrophobicContact CB-CE2 4.14Å
33C98.1Very high96.8Very high0 Ų019.9 Ų19.90%011%0.112CC..Hα-helixtrans-58.7-47.8175.7179.20000111.6V23 G29 L30 C31 I35 L36 Q37 I75 L406V23-C33 HydrophobicContact CG1-CB 4.02Å; V23-C33 HydrophobicContact CG2-CB 4.08Å; G29-C33 WeakPolarHBondContact O-CB 3.39Å; G29-C33 PolarHBondContact O-N 3.35Å; L30-C33 PolarHBondContact O-N 2.7Å; C31-C33 VanDerWaalsContact C-N 3.33Å; C31-C33 PolarHBondContact O-N 3.42Å; C33-I35 VanDerWaalsContact C-N 3.31Å; C33-I35 PolarHBondContact O-N 3.17Å; C33-L36 PolarHBondContact O-N 2.78Å; C33-Q37 WeakPolarHBondContact O-CB 3.32Å; C33-Q37 VanDerWaalsContact O-CG 3.22Å; C33-Q37 WeakPolarHBondContact O-CG 3.46Å; C33-Q37 PolarHBondContact O-N 3.5Å; C33-I75 HydrophobicContact CB-CD1 4.34Å; C33-L406 HydrophobicContact CB-CD1 4.46Å
34K97.1Very high96.7Very high27 Ų2728.5 Ų28.512%0.11715%0.152CC..Hα-helixtrans-57.3-42.7177.4-71.5-64.1-66.6-173.80112.9L30 C31 A32 A38 W223 L406 L409 S410L30-K34 WeakPolarHBondContact O-CG 3.37Å; L30-K34 PolarHBondContact O-N 2.98Å; C31-K34 PolarHBondContact O-N 2.86Å; A32-K34 PolarHBondContact O-N 3.01Å; K34-A38 WeakPolarHBondContact O-CB 3.16Å; K34-A38 PolarHBondContact O-N 3.24Å; K34-A38 VanDerWaalsContact O-N 3.08Å; K34-W223 HydrophobicContact CB-CD2 3.7Å; K34-W223 HydrophobicContact CB-CE3 3.55Å; K34-W223 HydrophobicContact CB-CG 4.28Å; K34-W223 HydrophobicContact CB-CH2 4.23Å; K34-W223 HydrophobicContact CB-CZ2 4.34Å; K34-W223 HydrophobicContact CB-CZ3 3.84Å; K34-W223 HydrophobicContact CG-CD2 4.45Å; K34-W223 WeakPolarHBondContact O-CZ3 3.36Å; K34-L406 HydrophobicContact CD-CD1 3.43Å; K34-L406 VanDerWaalsContact CD-CD1 3.43Å; K34-L406 HydrophobicContact CD-CG 3.69Å; K34-L406 HydrophobicContact CG-CD1 3.57Å; K34-L406 HydrophobicContact CG-CG 4.37Å; K34-L409 HydrophobicContact CG-CB 4.37Å; K34-L409 HydrophobicContact CG-CD1 3.94Å; K34-S410 PolarHBondContact NZ-OG 3.11Å
35I98.1Very high96.7Very high0 Ų028.9 Ų28.90%016%0.155CC..Hα-helixtrans-62.7-50.5178.7-63.4164.9000109.5C31 A32 C33 A38 L39 A203 F206 F207 A210 M220 W223C31-I35 WeakPolarHBondContact O-CG1 3.44Å; C31-I35 PolarHBondContact O-N 2.95Å; C31-I35 VanDerWaalsContact O-N 3.11Å; A32-I35 PolarHBondContact O-N 3.38Å; C33-I35 VanDerWaalsContact C-N 3.31Å; C33-I35 PolarHBondContact O-N 3.17Å; I35-A38 PolarHBondContact O-N 2.99Å; I35-L39 PolarHBondContact O-N 3.48Å; I35-L39 VanDerWaalsContact O-N 3.1Å; I35-A203 HydrophobicContact CD1-CB 4.12Å; I35-A203 WeakPolarHBondContact CD1-O 3.37Å; I35-F206 HydrophobicContact CB-CB 4.21Å; I35-F206 HydrophobicContact CG2-CB 3.88Å; I35-F207 HydrophobicContact CD1-CB 4.25Å; I35-A210 HydrophobicContact CG2-CB 4.45Å; I35-M220 HydrophobicContact CB-CG 4.48Å; I35-M220 HydrophobicContact CG1-CB 4.13Å; I35-M220 HydrophobicContact CG1-CG 4.28Å; I35-M220 HydrophobicContact CG2-CB 4.32Å; I35-M220 HydrophobicContact CG2-CG 4.09Å; I35-M220 HydrophobicContact CG2-SD 4.49Å; I35-W223 HydrophobicContact CD1-CB 4.19Å; I35-W223 HydrophobicContact CG1-CB 4.02Å; I35-W223 HydrophobicContact CG1-CE3 3.81Å
36L97.7Very high96.8Very high0 Ų032.8 Ų32.80%017%0.168CC..Hα-helixtrans-65.4-41.3-178.5-171.362.5000112.5F10 L21 A32 C33 A38 L39 F40 V73 I75 F206F10-L36 HydrophobicContact CE1-CD1 4.26Å; F10-L36 HydrophobicContact CZ-CD1 4.2Å; F10-L36 HydrophobicContact CZ-CD2 4.49Å; L21-L36 HydrophobicContact CD1-CD2 3.78Å; L21-L36 HydrophobicContact CD2-CD2 4.45Å; A32-L36 PolarHBondContact O-N 3.02Å; C33-L36 PolarHBondContact O-N 2.78Å; L36-A38 VanDerWaalsContact C-N 3.29Å; L36-A38 PolarHBondContact O-N 3.06Å; L36-L39 WeakPolarHBondContact O-CB 3.05Å; L36-L39 PolarHBondContact O-N 3.4Å; L36-F40 HydrophobicContact CD1-CD1 3.99Å; L36-F40 HydrophobicContact CD1-CE1 3.5Å; L36-F40 HydrophobicContact CD1-CE2 4.43Å; L36-F40 HydrophobicContact CD1-CZ 3.76Å; L36-F40 HydrophobicContact CD2-CE1 4.5Å; L36-F40 HydrophobicContact CD2-CE2 4.07Å; L36-F40 HydrophobicContact CD2-CZ 3.91Å; L36-F40 HydrophobicContact CG-CD1 4.25Å; L36-F40 HydrophobicContact CG-CD2 4.31Å; L36-F40 HydrophobicContact CG-CE1 3.92Å; L36-F40 HydrophobicContact CG-CE2 3.96Å; L36-F40 HydrophobicContact CG-CG 4.48Å; L36-F40 HydrophobicContact CG-CZ 3.77Å; L36-F40 WeakPolarHBondContact O-CB 3.41Å; L36-F40 WeakPolarHBondContact O-CG 3.49Å; L36-F40 PolarHBondContact O-N 3.33Å; L36-V73 HydrophobicContact CD2-CG1 4.03Å; L36-I75 HydrophobicContact CD2-CD1 4.31Å; L36-F206 HydrophobicContact CB-CD1 4.44Å; L36-F206 HydrophobicContact CD1-CD1 4Å; L36-F206 HydrophobicContact CD1-CE1 3.96Å; L36-F206 HydrophobicContact CD2-CE1 3.96Å; L36-F206 HydrophobicContact CD2-CZ 3.99Å; L36-F206 HydrophobicContact CG-CE1 4.41Å
37Q97.3Very high96.9Very high30 Ų3035.6 Ų35.614%0.1418%0.178CC..Hα-helixtrans-58.6-40.4174.3-74.2-174.9-55.100112L21 C33 F40 H41 Y47L21-Q37 HydrophobicContact CD2-CG 4.49Å; C33-Q37 WeakPolarHBondContact O-CB 3.32Å; C33-Q37 VanDerWaalsContact O-CG 3.22Å; C33-Q37 WeakPolarHBondContact O-CG 3.46Å; C33-Q37 PolarHBondContact O-N 3.5Å; Q37-F40 PolarHBondContact O-N 3.29Å; Q37-H41 VanDerWaalsContact O-CB 3.28Å; Q37-H41 WeakPolarHBondContact O-CB 3.5Å; Q37-H41 PolarHBondContact O-N 3.45Å; Q37-Y47 HydrophobicContact CG-CE2 3.92Å; Q37-Y47 WeakPolarHBondContact CG-OH 3.35Å; Q37-Y47 PolarHBondContact NE2-OH 2.97Å; Q37-Y47 VanDerWaalsContact NE2-OH 3.11Å
38A96.4Very high96.9Very high28 Ų2838.1 Ų38.123%0.23119%0.194CC..Hα-helixtrans-66.8-40.1177.500000111.6K34 I35 L36 H41 C42 M220 W223K34-A38 WeakPolarHBondContact O-CB 3.16Å; K34-A38 PolarHBondContact O-N 3.24Å; K34-A38 VanDerWaalsContact O-N 3.08Å; I35-A38 PolarHBondContact O-N 2.99Å; L36-A38 VanDerWaalsContact C-N 3.29Å; L36-A38 PolarHBondContact O-N 3.06Å; A38-H41 PolarHBondContact O-N 2.86Å; A38-C42 PolarHBondContact O-N 2.87Å; A38-C42 PolarHBondContact O-SG 3.37Å; A38-M220 HydrophobicContact CB-CE 3.46Å; A38-M220 VanDerWaalsContact CB-CE 3.46Å; A38-W223 HydrophobicContact CB-CZ3 4.22Å
39L96.8Very high96.9Very high0 Ų039.9 Ų39.90%020%0.203CC..Hα-helixtrans-63.2-48.7173.2-67.6175.7000111.8Y11 I35 L36 H41 C42 D43 L209 A210 L213 K215 M220Y11-L39 HydrophobicContact CE2-CB 3.92Å; Y11-L39 HydrophobicContact CE2-CD1 4.29Å; Y11-L39 PolarHBondContact OH-O 3.14Å; I35-L39 PolarHBondContact O-N 3.48Å; I35-L39 VanDerWaalsContact O-N 3.1Å; L36-L39 WeakPolarHBondContact O-CB 3.05Å; L36-L39 PolarHBondContact O-N 3.4Å; L39-H41 VanDerWaalsContact C-N 3.27Å; L39-H41 PolarHBondContact O-N 2.69Å; L39-C42 WeakPolarHBondContact O-CB 3.39Å; L39-C42 PolarHBondContact O-N 2.99Å; L39-C42 VanDerWaalsContact O-N 3.1Å; L39-D43 PolarHBondContact O-N 3.49Å; L39-D43 VanDerWaalsContact O-N 3.11Å; L39-L209 HydrophobicContact CD1-CD2 4.16Å; L39-L209 HydrophobicContact CD1-CG 4.24Å; L39-A210 HydrophobicContact CD1-CB 4.1Å; L39-A210 HydrophobicContact CD2-CB 3.95Å; L39-A210 HydrophobicContact CG-CB 4.41Å; L39-L213 HydrophobicContact CD1-CD1 4.31Å; L39-L213 HydrophobicContact CD2-CD1 4.28Å; L39-K215 HydrophobicContact CD2-CB 3.84Å; L39-K215 HydrophobicContact CD2-CD 4.37Å; L39-M220 HydrophobicContact CD2-CE 3.88Å; L39-M220 HydrophobicContact CG-CE 4.06Å
40F97.1Very high96.9Very high1 Ų140.9 Ų40.90%0.00421%0.209CC..Hα-helixtrans-59.7-38.5177.2-75.22.4000112.1Y11 V14 V19 L36 Q37 D43 Q44 I45 Y47Y11-F40 HydrophobicContact CD2-CE1 4.44Å; Y11-F40 HydrophobicContact CE2-CD1 4.07Å; Y11-F40 HydrophobicContact CE2-CE1 4.03Å; V14-F40 HydrophobicContact CG2-CE1 4.07Å; V14-F40 HydrophobicContact CG2-CZ 4.2Å; V19-F40 HydrophobicContact CB-CE2 4.46Å; V19-F40 HydrophobicContact CG1-CE2 4.3Å; L36-F40 HydrophobicContact CD1-CD1 3.99Å; L36-F40 HydrophobicContact CD1-CE1 3.5Å; L36-F40 HydrophobicContact CD1-CE2 4.43Å; L36-F40 HydrophobicContact CD1-CZ 3.76Å; L36-F40 HydrophobicContact CD2-CE1 4.5Å; L36-F40 HydrophobicContact CD2-CE2 4.07Å; L36-F40 HydrophobicContact CD2-CZ 3.91Å; L36-F40 HydrophobicContact CG-CD1 4.25Å; L36-F40 HydrophobicContact CG-CD2 4.31Å; L36-F40 HydrophobicContact CG-CE1 3.92Å; L36-F40 HydrophobicContact CG-CE2 3.96Å; L36-F40 HydrophobicContact CG-CG 4.48Å; L36-F40 HydrophobicContact CG-CZ 3.77Å; L36-F40 WeakPolarHBondContact O-CB 3.41Å; L36-F40 WeakPolarHBondContact O-CG 3.49Å; L36-F40 PolarHBondContact O-N 3.33Å; Q37-F40 PolarHBondContact O-N 3.29Å; F40-D43 CarbonylContact O-C 3.6Å; F40-D43 PolarHBondContact O-N 2.87Å; F40-Q44 WeakPolarHBondContact O-CA 3.35Å; F40-Q44 PolarHBondContact O-N 2.95Å; F40-I45 HydrophobicContact CB-CB 3.98Å; F40-I45 HydrophobicContact CD1-CB 4.1Å; F40-I45 HydrophobicContact CD1-CD1 3.47Å; F40-I45 VanDerWaalsContact CD1-CD1 3.47Å; F40-I45 HydrophobicContact CD1-CG1 4.3Å; F40-I45 HydrophobicContact CD1-CG2 4.24Å; F40-I45 HydrophobicContact CD2-CG2 4.38Å; F40-I45 HydrophobicContact CE1-CD1 3.87Å; F40-I45 HydrophobicContact CE1-CG2 4.42Å; F40-I45 HydrophobicContact CG-CB 3.99Å; F40-I45 HydrophobicContact CG-CD1 4.24Å; F40-I45 HydrophobicContact CG-CG2 4.19Å; F40-I45 PolarHBondContact O-N 3.48Å; F40-Y47 HydrophobicContact CB-CD1 3.9Å; F40-Y47 HydrophobicContact CB-CE1 4.01Å; F40-Y47 AromaticContact CD2-CD1 3.64Å; F40-Y47 HydrophobicContact CD2-CD1 3.64Å; F40-Y47 HydrophobicContact CD2-CD2 4.45Å; F40-Y47 HydrophobicContact CD2-CE1 4.29Å; F40-Y47 AromaticContact CD2-CG 3.73Å; F40-Y47 HydrophobicContact CD2-CG 3.73Å; F40-Y47 HydrophobicContact CE2-CG 4.36Å; F40-Y47 HydrophobicContact CG-CD1 4.26Å
41H95.4Very high96.8Very high150 Ų15042 Ų4269%0.69422%0.216SC*.Hα-helixtrans-65.3-42.1174.8-174.367.4000112.4Q37 A38 L39 D43 Q44Q37-H41 VanDerWaalsContact O-CB 3.28Å; Q37-H41 WeakPolarHBondContact O-CB 3.5Å; Q37-H41 PolarHBondContact O-N 3.45Å; A38-H41 PolarHBondContact O-N 2.86Å; L39-H41 VanDerWaalsContact C-N 3.27Å; L39-H41 PolarHBondContact O-N 2.69Å; H41-D43 VanDerWaalsContact C-N 3.27Å; H41-D43 PolarHBondContact O-N 3.1Å; H41-Q44 PolarHBondContact O-N 2.87Å
42C94.4Very high96.7Very high80 Ų8042 Ų4254%0.54122%0.216SC..Hα-helixtrans-59.9-37.4176.6-71.90000112.6A38 L39A38-C42 PolarHBondContact O-N 2.87Å; A38-C42 PolarHBondContact O-SG 3.37Å; L39-C42 WeakPolarHBondContact O-CB 3.39Å; L39-C42 PolarHBondContact O-N 2.99Å; L39-C42 VanDerWaalsContact O-N 3.1Å
43D95.3Very high96.4Very high61 Ų6144.7 Ų44.733%0.32623%0.233SC..THydrogen-bonded Turntrans-100.78.2-178-67.6-30.6000114.1Y11 L39 F40 H41 I45 K215Y11-D43 WeakPolarHBondContact CE1-OD2 3.5Å; Y11-D43 VanDerWaalsContact CZ-OD2 3.3Å; Y11-D43 PolarHBondContact OH-OD2 2.84Å; L39-D43 PolarHBondContact O-N 3.49Å; L39-D43 VanDerWaalsContact O-N 3.11Å; F40-D43 CarbonylContact O-C 3.6Å; F40-D43 PolarHBondContact O-N 2.87Å; H41-D43 VanDerWaalsContact C-N 3.27Å; H41-D43 PolarHBondContact O-N 3.1Å; D43-I45 HydrophobicContact CB-CD1 4.02Å; D43-I45 HydrophobicContact CB-CG1 3.93Å; D43-I45 PolarHBondContact O-N 3.03Å; D43-K215 IonicContact OD1-NZ 2.68Å; D43-K215 PolarHBondContact OD1-NZ 3.4Å; D43-K215 IonicContact OD2-NZ 2.91Å; D43-K215 PolarHBondContact OD2-NZ 2.85Å
44Q95.1Very high96.2Very high180 Ų18044.7 Ų44.784%0.84123%0.233SC*.THydrogen-bonded Turntrans55.332.7179.1-55.5-178.5-22.800113.9F40 H41 Q46F40-Q44 WeakPolarHBondContact O-CA 3.35Å; F40-Q44 PolarHBondContact O-N 2.95Å; H41-Q44 PolarHBondContact O-N 2.87Å; Q44-Q46 PolarHBondContact O-N 2.98Å
45I96Very high96.1Very high10 Ų1044.3 Ų44.35%0.05123%0.231CC..  trans-70.5128.7178.3-57.4174.7000108.4Y11 A15 V19 F40 D43 Y47Y11-I45 HydrophobicContact CE1-CD1 4.48Å; Y11-I45 HydrophobicContact CE2-CD1 4.24Å; A15-I45 HydrophobicContact CB-CD1 4.16Å; V19-I45 HydrophobicContact CG2-CG2 4.3Å; F40-I45 HydrophobicContact CB-CB 3.98Å; F40-I45 HydrophobicContact CD1-CB 4.1Å; F40-I45 HydrophobicContact CD1-CD1 3.47Å; F40-I45 VanDerWaalsContact CD1-CD1 3.47Å; F40-I45 HydrophobicContact CD1-CG1 4.3Å; F40-I45 HydrophobicContact CD1-CG2 4.24Å; F40-I45 HydrophobicContact CD2-CG2 4.38Å; F40-I45 HydrophobicContact CE1-CD1 3.87Å; F40-I45 HydrophobicContact CE1-CG2 4.42Å; F40-I45 HydrophobicContact CG-CB 3.99Å; F40-I45 HydrophobicContact CG-CD1 4.24Å; F40-I45 HydrophobicContact CG-CG2 4.19Å; F40-I45 PolarHBondContact O-N 3.48Å; D43-I45 HydrophobicContact CB-CD1 4.02Å; D43-I45 HydrophobicContact CB-CG1 3.93Å; D43-I45 PolarHBondContact O-N 3.03Å; I45-Y47 PolarHBondContact O-N 3.04Å
46Q96Very high95.9Very high110 Ų11049.2 Ų49.251%0.51425%0.254SS..EExtended strand (participates in β ladder)trans-81.1118.1178.5-173.51785.900109.9R18 V19 Q44R18-Q46 WeakPolarHBondContact CA-O 3.35Å; R18-Q46 HydrophobicContact CG-CB 4.33Å; R18-Q46 HydrophobicContact CG-CG 4.27Å; V19-Q46 PolarHBondContact N-O 2.91Å; Q44-Q46 PolarHBondContact O-N 2.98Å
47Y97.5Very high95.8Very high69 Ų6952.3 Ų52.327%0.27127%0.27SS..EExtended strand (participates in β ladder)trans-137.3158178.373.8-82.7000112.5V19 L21 Q37 F40 I45 L49V19-Y47 CarbonylContact O-C 3.51Å; V19-Y47 WeakPolarHBondContact O-CA 3.45Å; V19-Y47 WeakPolarHBondContact O-CB 3.41Å; L21-Y47 HydrophobicContact CB-CD2 4.49Å; L21-Y47 HydrophobicContact CD2-CD2 4.37Å; Q37-Y47 HydrophobicContact CG-CE2 3.92Å; Q37-Y47 WeakPolarHBondContact CG-OH 3.35Å; Q37-Y47 PolarHBondContact NE2-OH 2.97Å; Q37-Y47 VanDerWaalsContact NE2-OH 3.11Å; F40-Y47 HydrophobicContact CB-CD1 3.9Å; F40-Y47 HydrophobicContact CB-CE1 4.01Å; F40-Y47 AromaticContact CD2-CD1 3.64Å; F40-Y47 HydrophobicContact CD2-CD1 3.64Å; F40-Y47 HydrophobicContact CD2-CD2 4.45Å; F40-Y47 HydrophobicContact CD2-CE1 4.29Å; F40-Y47 AromaticContact CD2-CG 3.73Å; F40-Y47 HydrophobicContact CD2-CG 3.73Å; F40-Y47 HydrophobicContact CE2-CG 4.36Å; F40-Y47 HydrophobicContact CG-CD1 4.26Å; I45-Y47 PolarHBondContact O-N 3.04Å; Y47-L49 HydrophobicContact CE2-CB 4.21Å
48T97.6Very high95.8Very high54 Ų5450.9 Ų50.933%0.33126%0.263SS..EExtended strand (participates in β ladder)trans-117.7122.9169-62.70000108.6V19 L21 V50 F69V19-T48 PolarHBondContact O-N 2.88Å; L21-T48 PolarHBondContact N-O 2.95Å; T48-V50 HydrophobicContact CG2-CG2 3.98Å; T48-F69 WeakPolarHBondContact OG1-CZ 3.26Å
49L97.5Very high95.8Very high37 Ų3751 Ų5119%0.19426%0.263CS..EExtended strand (participates in β ladder)trans-86.1126.3174.8171.362.9000109.9L21 V23 Y47 F402 I403 L406L21-L49 HydrophobicContact CD2-CD1 4.11Å; L21-L49 HydrophobicContact CG-CD1 4.25Å; V23-L49 HydrophobicContact CB-CD1 4.29Å; V23-L49 HydrophobicContact CG2-CD1 3.6Å; Y47-L49 HydrophobicContact CE2-CB 4.21Å; L49-F402 HydrophobicContact CD1-CE1 4.46Å; L49-F402 HydrophobicContact CD2-CE1 4.26Å; L49-I403 HydrophobicContact CD2-CD1 4.18Å; L49-L406 HydrophobicContact CD2-CD2 3.78Å
50V96.8Very high95.7Very high21 Ų2154.6 Ų54.613%0.12728%0.284CS..EExtended strand (participates in β ladder)trans-128.5102178.8-172.40000109.3L21 L22 V23 T48 A61L21-V50 PolarHBondContact O-N 2.68Å; L22-V50 WeakPolarHBondContact CA-O 3.44Å; L22-V50 HydrophobicContact CD2-CB 3.93Å; L22-V50 HydrophobicContact CD2-CG1 4.01Å; V23-V50 PolarHBondContact N-O 2.91Å; T48-V50 HydrophobicContact CG2-CG2 3.98Å; V50-A61 HydrophobicContact CG1-CB 3.71Å
51P96.2Very high95.7Very high24 Ų2454.9 Ų54.916%0.15629%0.287CS..EExtended strand (participates in β ladder)trans-66.7136.7172.9-20.635.3000111T399 F402P51-T399 HydrophobicContact CG-CG2 3.99Å; P51-F402 HydrophobicContact CB-CB 4.03Å; P51-F402 HydrophobicContact CB-CD1 3.7Å; P51-F402 HydrophobicContact CB-CD2 3.81Å; P51-F402 HydrophobicContact CB-CE1 4.04Å; P51-F402 HydrophobicContact CB-CE2 4.12Å; P51-F402 HydrophobicContact CB-CG 3.57Å; P51-F402 HydrophobicContact CB-CZ 4.23Å; P51-F402 HydrophobicContact CG-CB 4.24Å; P51-F402 HydrophobicContact CG-CD1 3.36Å; P51-F402 HydrophobicContact CG-CD2 4.41Å; P51-F402 HydrophobicContact CG-CE1 3.69Å; P51-F402 HydrophobicContact CG-CG 3.77Å; P51-F402 HydrophobicContact CG-CZ 4.33Å
52V95.7Very high95.7Very high1 Ų147.8 Ų47.81%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-128.7132.1177.8-670000110.1L22 V23 A24 A25 D57 L58 A61 F547L22-V52 HydrophobicContact CD2-CG1 3.88Å; V23-V52 WeakPolarHBondContact O-CG2 3.38Å; V23-V52 PolarHBondContact O-N 2.98Å; A24-V52 WeakPolarHBondContact CA-O 3.22Å; A25-V52 PolarHBondContact N-O 3.14Å; A25-V52 VanDerWaalsContact N-O 3.1Å; V52-D57 HydrophobicContact CB-CB 4.33Å; V52-D57 HydrophobicContact CG1-CB 4.48Å; V52-L58 HydrophobicContact CB-CB 4.35Å; V52-L58 HydrophobicContact CG1-CB 4.21Å; V52-A61 HydrophobicContact CG1-CB 4.35Å; V52-F547 HydrophobicContact CB-CZ 4.24Å; V52-F547 HydrophobicContact CG2-CE2 4.08Å; V52-F547 HydrophobicContact CG2-CZ 3.73Å
53T92.1Very high95.8Very high56 Ų5649 Ų4934%0.34426%0.255SS..SBendtrans-98.3-18.7-179.9730000113.6A25 D57 P398A25-T53 HydrophobicContact CB-CG2 4.13Å; T53-D57 WeakPolarHBondContact CB-OD2 3.33Å; T53-D57 PolarHBondContact N-OD2 3.08Å; T53-D57 PolarHBondContact OG1-OD2 3.43Å; T53-P398 HydrophobicContact CG2-CB 3.85Å
54G94.4Very high95.9Very high0 Ų052 Ų520%027%0.267CS..SBendtrans-163.5-174.7179.300000112.8D57 L58 D545G54-D57 PolarHBondContact O-N 3.2Å; G54-L58 WeakPolarHBondContact O-CB 3.42Å; G54-L58 PolarHBondContact O-N 3.23Å; G54-D545 CarbonylContact C-O 3.57Å; G54-D545 WeakPolarHBondContact CA-O 3.42Å
55W95.4Very high95.8Very high19 Ų1945.1 Ų45.17%0.07224%0.235CC..Hα-helixtrans-66.4-37-177.3-69.9118.3000113.4L58 S59 N80 V81 M86 D545 H546 F547W55-L58 HydrophobicContact CE3-CD1 4.31Å; W55-L58 HydrophobicContact CZ3-CD1 4.26Å; W55-L58 PolarHBondContact O-N 3.18Å; W55-S59 WeakPolarHBondContact O-CB 3.12Å; W55-S59 PolarHBondContact O-N 2.84Å; W55-S59 PolarHBondContact O-OG 3.29Å; W55-N80 WeakPolarHBondContact CH2-OD1 3.42Å; W55-N80 VanDerWaalsContact CZ2-OD1 3.29Å; W55-N80 WeakPolarHBondContact CZ2-OD1 3.45Å; W55-V81 HydrophobicContact CE3-CG2 4.35Å; W55-V81 HydrophobicContact CH2-CB 4.18Å; W55-V81 HydrophobicContact CH2-CG1 3.77Å; W55-V81 HydrophobicContact CH2-CG2 3.3Å; W55-V81 HydrophobicContact CZ2-CB 4.44Å; W55-V81 HydrophobicContact CZ2-CG1 3.55Å; W55-V81 HydrophobicContact CZ2-CG2 4Å; W55-V81 HydrophobicContact CZ3-CG2 3.51Å; W55-M86 HydrophobicContact CB-CE 3.59Å; W55-M86 HydrophobicContact CD2-CE 3.99Å; W55-M86 HydrophobicContact CD2-SD 4.42Å; W55-M86 HydrophobicContact CE3-CE 3.56Å; W55-M86 HydrophobicContact CE3-SD 3.58Å; W55-M86 VanDerWaalsContact CE3-SD 3.58Å; W55-M86 HydrophobicContact CG-CE 4.05Å; W55-M86 HydrophobicContact CZ3-SD 3.98Å; W55-D545 PolarHBondContact N-O 3.31Å; W55-D545 PolarHBondContact N-OD1 3.41Å; W55-H546 PolarHBondContact NE1-O 3.04Å; W55-H546 VanDerWaalsContact NE1-O 3.15Å; W55-F547 AromaticContact CD2-CD1 3.81Å; W55-F547 HydrophobicContact CD2-CD1 3.81Å; W55-F547 AromaticContact CD2-CE1 3.91Å; W55-F547 HydrophobicContact CD2-CE1 3.91Å; W55-F547 AromaticContact CE2-CD1 3.63Å; W55-F547 HydrophobicContact CE3-CD1 4.04Å; W55-F547 AromaticContact CE3-CE1 3.84Å; W55-F547 HydrophobicContact CE3-CE1 3.84Å; W55-F547 HydrophobicContact CG-CD1 4.43Å; W55-F547 HydrophobicContact CG-CE1 4.44Å; W55-F547 AromaticContact CH2-CD1 3.99Å; W55-F547 HydrophobicContact CH2-CD1 3.99Å; W55-F547 HydrophobicContact CH2-CE1 4.43Å; W55-F547 AromaticContact CZ2-CD1 3.74Å; W55-F547 HydrophobicContact CZ2-CD1 3.74Å; W55-F547 HydrophobicContact CZ2-CE1 4.48Å; W55-F547 HydrophobicContact CZ3-CD1 4.13Å; W55-F547 HydrophobicContact CZ3-CE1 4.12Å
56Q94.3Very high95.8Very high103 Ų10347.4 Ų47.448%0.48124%0.244SC..Hα-helixtrans-65-45.2175.3-72.8-179.8-0.500111.5L58 S59 T60 L543 D545Q56-L58 VanDerWaalsContact C-N 3.34Å; Q56-S59 PolarHBondContact O-N 3.05Å; Q56-T60 WeakPolarHBondContact O-CB 3.46Å; Q56-T60 PolarHBondContact O-N 2.81Å; Q56-T60 PolarHBondContact O-OG1 3.15Å; Q56-L543 VanDerWaalsContact NE2-CD1 3.28Å; Q56-D545 VanDerWaalsContact CB-OD1 3.27Å; Q56-D545 WeakPolarHBondContact CB-OD1 3.23Å; Q56-D545 VanDerWaalsContact CG-OD1 3.24Å; Q56-D545 WeakPolarHBondContact CG-OD1 3.42Å; Q56-D545 PolarHBondContact N-OD1 3.21Å
57D94.4Very high95.7Very high65 Ų6549.2 Ų49.235%0.34825%0.253SS..Hα-helixtrans-61.4-44.6175.9-70.6-9.4000110.6V52 T53 G54 T60 A61V52-D57 HydrophobicContact CB-CB 4.33Å; V52-D57 HydrophobicContact CG1-CB 4.48Å; T53-D57 WeakPolarHBondContact CB-OD2 3.33Å; T53-D57 PolarHBondContact N-OD2 3.08Å; T53-D57 PolarHBondContact OG1-OD2 3.43Å; G54-D57 PolarHBondContact O-N 3.2Å; D57-T60 PolarHBondContact O-N 3.04Å; D57-A61 VanDerWaalsContact O-CB 3.23Å; D57-A61 WeakPolarHBondContact O-CB 3.33Å; D57-A61 PolarHBondContact O-N 3.24Å
58L96.5Very high95.5Very high0 Ų051.3 Ų51.30%027%0.265CS..Hα-helixtrans-61.7-46.4178.4-171159.7000111.6V52 G54 W55 Q56 T60 A61 F62 L74 C77 L87 F547V52-L58 HydrophobicContact CB-CB 4.35Å; V52-L58 HydrophobicContact CG1-CB 4.21Å; G54-L58 WeakPolarHBondContact O-CB 3.42Å; G54-L58 PolarHBondContact O-N 3.23Å; W55-L58 HydrophobicContact CE3-CD1 4.31Å; W55-L58 HydrophobicContact CZ3-CD1 4.26Å; W55-L58 PolarHBondContact O-N 3.18Å; Q56-L58 VanDerWaalsContact C-N 3.34Å; L58-T60 VanDerWaalsContact C-N 3.34Å; L58-T60 PolarHBondContact O-N 3.06Å; L58-A61 PolarHBondContact O-N 3.09Å; L58-F62 WeakPolarHBondContact O-CB 3.47Å; L58-F62 PolarHBondContact O-N 3.07Å; L58-L74 HydrophobicContact CD1-CD2 4.18Å; L58-C77 HydrophobicContact CD1-CB 4.05Å; L58-L87 HydrophobicContact CD2-CD1 4.06Å; L58-L87 HydrophobicContact CD2-CD2 3.74Å; L58-L87 HydrophobicContact CD2-CG 4.41Å; L58-F547 HydrophobicContact CD1-CE1 3.84Å; L58-F547 HydrophobicContact CD1-CZ 4.14Å
59S96.4Very high95.4Very high31 Ų3149.6 Ų49.622%0.21725%0.253CS..Hα-helixtrans-62.6-43178.5-56.30000111.6W55 Q56 F62 L63 M86W55-S59 WeakPolarHBondContact O-CB 3.12Å; W55-S59 PolarHBondContact O-N 2.84Å; W55-S59 PolarHBondContact O-OG 3.29Å; Q56-S59 PolarHBondContact O-N 3.05Å; S59-F62 PolarHBondContact O-N 3.03Å; S59-L63 WeakPolarHBondContact O-CG 3.22Å; S59-L63 PolarHBondContact O-N 2.88Å; S59-M86 VanDerWaalsContact OG-CE 3.25Å; S59-M86 WeakPolarHBondContact OG-CE 3.47Å
60T96.3Very high95.4Very high74 Ų7453.3 Ų53.345%0.45427%0.265SS..Hα-helixtrans-64.5-49.2178.2-54.60000110.6Q56 D57 L58 F62 L63 E64Q56-T60 WeakPolarHBondContact O-CB 3.46Å; Q56-T60 PolarHBondContact O-N 2.81Å; Q56-T60 PolarHBondContact O-OG1 3.15Å; D57-T60 PolarHBondContact O-N 3.04Å; L58-T60 VanDerWaalsContact C-N 3.34Å; L58-T60 PolarHBondContact O-N 3.06Å; T60-F62 VanDerWaalsContact C-N 3.31Å; T60-F62 PolarHBondContact O-N 3.36Å; T60-L63 PolarHBondContact O-N 3.44Å; T60-E64 WeakPolarHBondContact O-CG 3.35Å; T60-E64 PolarHBondContact O-N 2.99Å
61A95.6Very high95.4Very high8 Ų853.2 Ų53.27%0.06626%0.262CS..Hα-helixtrans-58.6-41.4176.500000112.3L22 V50 V52 D57 L58 E64 H65L22-A61 HydrophobicContact CD2-CB 3.79Å; V50-A61 HydrophobicContact CG1-CB 3.71Å; V52-A61 HydrophobicContact CG1-CB 4.35Å; D57-A61 VanDerWaalsContact O-CB 3.23Å; D57-A61 WeakPolarHBondContact O-CB 3.33Å; D57-A61 PolarHBondContact O-N 3.24Å; L58-A61 PolarHBondContact O-N 3.09Å; A61-E64 PolarHBondContact O-N 3.35Å; A61-H65 WeakPolarHBondContact O-CB 3.37Å; A61-H65 PolarHBondContact O-CD2 2.81Å; A61-H65 PolarHBondContact O-N 3.18Å
62F96.7Very high95.5Very high1 Ų152.1 Ų52.10%0.00426%0.255CS..Hα-helixtrans-62.1-48.2176176.6-104.3000111.4L58 S59 T60 E64 H65 K66 F72 L87 P89 F95L58-F62 WeakPolarHBondContact O-CB 3.47Å; L58-F62 PolarHBondContact O-N 3.07Å; S59-F62 PolarHBondContact O-N 3.03Å; T60-F62 VanDerWaalsContact C-N 3.31Å; T60-F62 PolarHBondContact O-N 3.36Å; F62-E64 VanDerWaalsContact C-N 3.27Å; F62-E64 PolarHBondContact O-N 3.2Å; F62-H65 CarbonylContact O-C 3.52Å; F62-H65 PolarHBondContact O-N 3.08Å; F62-H65 VanDerWaalsContact O-N 3.08Å; F62-K66 HydrophobicContact CD1-CB 4.49Å; F62-K66 HydrophobicContact CD2-CB 4.47Å; F62-K66 HydrophobicContact CE1-CB 4.02Å; F62-K66 HydrophobicContact CE1-CD 4.08Å; F62-K66 HydrophobicContact CE2-CB 3.99Å; F62-K66 HydrophobicContact CZ-CB 3.73Å; F62-K66 HydrophobicContact CZ-CD 4.47Å; F62-K66 WeakPolarHBondContact O-CB 3.32Å; F62-K66 PolarHBondContact O-N 2.91Å; F62-F72 HydrophobicContact CD2-CD1 4.15Å; F62-F72 AromaticContact CD2-CE1 3.79Å; F62-F72 HydrophobicContact CD2-CE1 3.79Å; F62-F72 HydrophobicContact CD2-CE2 4.38Å; F62-F72 AromaticContact CD2-CZ 3.94Å; F62-F72 HydrophobicContact CD2-CZ 3.94Å; F62-F72 HydrophobicContact CE2-CD1 4.44Å; F62-F72 HydrophobicContact CE2-CD2 4.22Å; F62-F72 HydrophobicContact CE2-CE1 4.01Å; F62-F72 AromaticContact CE2-CE2 3.76Å; F62-F72 HydrophobicContact CE2-CE2 3.76Å; F62-F72 AromaticContact CE2-CZ 3.67Å; F62-F72 HydrophobicContact CE2-CZ 3.67Å; F62-L87 HydrophobicContact CB-CD1 4.44Å; F62-L87 HydrophobicContact CB-CD2 4.07Å; F62-L87 HydrophobicContact CD1-CB 3.89Å; F62-L87 HydrophobicContact CD1-CD1 4.34Å; F62-L87 HydrophobicContact CD1-CD2 4.05Å; F62-L87 HydrophobicContact CD1-CG 4.32Å; F62-L87 HydrophobicContact CD2-CD1 4.15Å; F62-L87 HydrophobicContact CE1-CB 3.9Å; F62-L87 WeakPolarHBondContact CE1-O 3.39Å; F62-L87 HydrophobicContact CG-CB 4.42Å; F62-L87 HydrophobicContact CG-CD1 4.03Å; F62-L87 HydrophobicContact CG-CD2 4.13Å; F62-L87 HydrophobicContact CG-CG 4.44Å; F62-L87 HydrophobicContact CZ-CB 4.44Å; F62-P89 HydrophobicContact CE1-CB 4.39Å; F62-P89 HydrophobicContact CZ-CB 3.7Å; F62-F95 HydrophobicContact CD2-CE1 4.19Å; F62-F95 HydrophobicContact CD2-CZ 4.42Å; F62-F95 AromaticContact CE2-CE1 3.83Å; F62-F95 HydrophobicContact CE2-CE1 3.83Å; F62-F95 AromaticContact CE2-CZ 3.65Å; F62-F95 HydrophobicContact CE2-CZ 3.65Å; F62-F95 HydrophobicContact CZ-CZ 4.08Å
63L96.3Very high95.6Very high105 Ų10552.1 Ų52.155%0.5525%0.254SS..Hα-helixtrans-60.7-35.1178.7-71.9172.8000113.1S59 T60 H65 K66S59-L63 WeakPolarHBondContact O-CG 3.22Å; S59-L63 PolarHBondContact O-N 2.88Å; T60-L63 PolarHBondContact O-N 3.44Å; L63-H65 VanDerWaalsContact C-N 3.3Å; L63-K66 HydrophobicContact CD2-CD 4.28Å
64E96.1Very high95.9Very high125 Ų12549.4 Ų49.458%0.58424%0.238SC*.Hα-helixtrans-69.9-27.5176.8-71.7-179.1174.400113.1T60 A61 F62 Q68T60-E64 WeakPolarHBondContact O-CG 3.35Å; T60-E64 PolarHBondContact O-N 2.99Å; A61-E64 PolarHBondContact O-N 3.35Å; F62-E64 VanDerWaalsContact C-N 3.27Å; F62-E64 PolarHBondContact O-N 3.2Å; E64-Q68 PolarHBondContact O-NE2 2.88Å
65H94.9Very high96.1Very high35 Ų3549.4 Ų49.416%0.16224%0.238CC..Hα-helixtrans-112.4-14.4-170.6-70.1-50.9000115.2A61 F62 L63 E67 Q68 F69A61-H65 WeakPolarHBondContact O-CB 3.37Å; A61-H65 PolarHBondContact O-CD2 2.81Å; A61-H65 PolarHBondContact O-N 3.18Å; F62-H65 CarbonylContact O-C 3.52Å; F62-H65 PolarHBondContact O-N 3.08Å; F62-H65 VanDerWaalsContact O-N 3.08Å; L63-H65 VanDerWaalsContact C-N 3.3Å; H65-E67 VanDerWaalsContact C-N 3.27Å; H65-E67 PolarHBondContact O-N 2.98Å; H65-Q68 PolarHBondContact ND1-OE1 3.39Å; H65-Q68 PolarHBondContact O-N 2.7Å; H65-F69 HydrophobicContact CB-CD2 3.88Å; H65-F69 HydrophobicContact CB-CE2 4.34Å; H65-F69 AromaticContact ND1-CE2 3.9Å; H65-F69 WeakPolarHBondContact O-CD2 3.4Å; H65-F69 PolarHBondContact O-N 3.02Å; H65-F69 VanDerWaalsContact O-N 3.11Å
66K94.5Very high96.2Very high58 Ų5848.5 Ų48.525%0.25224%0.235SC..THydrogen-bonded Turntrans-56.1-35.7-174.967.7173.7-169.9165.30114.7F62 L63 Q68 F69F62-K66 HydrophobicContact CD1-CB 4.49Å; F62-K66 HydrophobicContact CD2-CB 4.47Å; F62-K66 HydrophobicContact CE1-CB 4.02Å; F62-K66 HydrophobicContact CE1-CD 4.08Å; F62-K66 HydrophobicContact CE2-CB 3.99Å; F62-K66 HydrophobicContact CZ-CB 3.73Å; F62-K66 HydrophobicContact CZ-CD 4.47Å; F62-K66 WeakPolarHBondContact O-CB 3.32Å; F62-K66 PolarHBondContact O-N 2.91Å; L63-K66 HydrophobicContact CD2-CD 4.28Å; K66-Q68 VanDerWaalsContact C-N 3.27Å; K66-Q68 PolarHBondContact O-N 3Å; K66-F69 VanDerWaalsContact O-O 3.14Å
67E93.8Very high96.3Very high148 Ų14843.6 Ų43.669%0.69221%0.212SC*.THydrogen-bonded Turntrans-74.3-18.6179.6-58.5-64149.400113H65H65-E67 VanDerWaalsContact C-N 3.27Å; H65-E67 PolarHBondContact O-N 2.98Å
68Q94.1Very high96.3Very high112 Ų11240.5 Ų40.552%0.52320%0.195SC..THydrogen-bonded Turntrans-103.8-23.3-172.3-60.7141.419.800112.3E64 H65 K66E64-Q68 PolarHBondContact O-NE2 2.88Å; H65-Q68 PolarHBondContact ND1-OE1 3.39Å; H65-Q68 PolarHBondContact O-N 2.7Å; K66-Q68 VanDerWaalsContact C-N 3.27Å; K66-Q68 PolarHBondContact O-N 3Å
69F96Very high96.3Very high18 Ų1840.5 Ų40.58%0.07920%0.195CC..  trans-129.7131.2-172.3-64.7-87.3000110.4R18 A20 T48 H65 K66 F72R18-F69 HydrophobicContact CB-CD1 3.94Å; R18-F69 HydrophobicContact CB-CE1 3.92Å; A20-F69 HydrophobicContact CB-CB 4.02Å; A20-F69 HydrophobicContact CB-CD1 4.01Å; A20-F69 HydrophobicContact CB-CD2 4.1Å; A20-F69 HydrophobicContact CB-CG 3.78Å; T48-F69 WeakPolarHBondContact OG1-CZ 3.26Å; H65-F69 HydrophobicContact CB-CD2 3.88Å; H65-F69 HydrophobicContact CB-CE2 4.34Å; H65-F69 AromaticContact ND1-CE2 3.9Å; H65-F69 WeakPolarHBondContact O-CD2 3.4Å; H65-F69 PolarHBondContact O-N 3.02Å; H65-F69 VanDerWaalsContact O-N 3.11Å; K66-F69 VanDerWaalsContact O-O 3.14Å; F69-F72 HydrophobicContact CB-CE1 4.11Å; F69-F72 HydrophobicContact CB-CE2 4.36Å; F69-F72 HydrophobicContact CB-CZ 3.78Å; F69-F72 WeakPolarHBondContact O-CE2 3.49Å; F69-F72 VanDerWaalsContact O-CZ 3.22Å; F69-F72 WeakPolarHBondContact O-CZ 3.05Å
70R95.9Very high96.2Very high116 Ų11640.5 Ų40.544%0.43819%0.193SC..SBendtrans-92.9-26.7170-177.1178.3170.9-174.20.4112.3D92 S93 I94R70-D92 WeakPolarHBondContact CG-O 3.31Å; R70-D92 PolarHBondContact NE-O 3.33Å; R70-D92 IonicContact NE-OD2 3.85Å; R70-S93 WeakPolarHBondContact O-CA 3.15Å; R70-I94 PolarHBondContact O-N 3.45Å
71Y97.6Very high96.1Very high19 Ų1938.7 Ų38.78%0.07518%0.181CC..EExtended strand (participates in β ladder)trans-112.6118.7-173.6-65.6-85000110.4V13 Q17 V19 A20 I94 F96V13-Y71 HydrophobicContact CG1-CD1 4.4Å; V13-Y71 HydrophobicContact CG1-CE1 3.6Å; Q17-Y71 HydrophobicContact CB-CD2 3.58Å; Q17-Y71 HydrophobicContact CB-CE2 3.81Å; Q17-Y71 HydrophobicContact CB-CG 4.31Å; Q17-Y71 HydrophobicContact CG-CD2 3.73Å; Q17-Y71 HydrophobicContact CG-CE2 3.38Å; V19-Y71 WeakPolarHBondContact CA-O 3.4Å; A20-Y71 PolarHBondContact N-O 3.11Å; Y71-I94 HydrophobicContact CD1-CB 3.97Å; Y71-I94 HydrophobicContact CD1-CD1 4.34Å; Y71-I94 HydrophobicContact CD1-CG2 4.36Å; Y71-I94 HydrophobicContact CE1-CB 4.16Å; Y71-I94 HydrophobicContact CE1-CD1 3.64Å; Y71-I94 HydrophobicContact CE1-CG1 4.35Å; Y71-F96 AromaticContact CD1-CE2 3.92Å; Y71-F96 HydrophobicContact CD1-CE2 3.92Å
72F98.1Very high96.1Very high1 Ų139.9 Ų39.90%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-113.4132.3178.8-63.5-88.8000109.3A20 L22 F62 F69 L74 I94 F95 F96A20-F72 HydrophobicContact CB-CD1 3.61Å; A20-F72 HydrophobicContact CB-CE1 3.72Å; A20-F72 WeakPolarHBondContact O-CA 3.4Å; L22-F72 HydrophobicContact CD1-CD1 4.1Å; F62-F72 HydrophobicContact CD2-CD1 4.15Å; F62-F72 AromaticContact CD2-CE1 3.79Å; F62-F72 HydrophobicContact CD2-CE1 3.79Å; F62-F72 HydrophobicContact CD2-CE2 4.38Å; F62-F72 AromaticContact CD2-CZ 3.94Å; F62-F72 HydrophobicContact CD2-CZ 3.94Å; F62-F72 HydrophobicContact CE2-CD1 4.44Å; F62-F72 HydrophobicContact CE2-CD2 4.22Å; F62-F72 HydrophobicContact CE2-CE1 4.01Å; F62-F72 AromaticContact CE2-CE2 3.76Å; F62-F72 HydrophobicContact CE2-CE2 3.76Å; F62-F72 AromaticContact CE2-CZ 3.67Å; F62-F72 HydrophobicContact CE2-CZ 3.67Å; F69-F72 HydrophobicContact CB-CE1 4.11Å; F69-F72 HydrophobicContact CB-CE2 4.36Å; F69-F72 HydrophobicContact CB-CZ 3.78Å; F69-F72 WeakPolarHBondContact O-CE2 3.49Å; F69-F72 VanDerWaalsContact O-CZ 3.22Å; F69-F72 WeakPolarHBondContact O-CZ 3.05Å; F72-L74 HydrophobicContact CB-CD1 3.92Å; F72-I94 PolarHBondContact N-O 3.36Å; F72-F95 HydrophobicContact CB-CD1 3.6Å; F72-F95 HydrophobicContact CB-CE1 3.86Å; F72-F95 HydrophobicContact CB-CG 4.46Å; F72-F95 HydrophobicContact CD2-CD1 4.22Å; F72-F95 AromaticContact CD2-CE1 3.76Å; F72-F95 HydrophobicContact CD2-CE1 3.76Å; F72-F95 HydrophobicContact CD2-CZ 4.11Å; F72-F95 HydrophobicContact CG-CD1 4.08Å; F72-F95 AromaticContact CG-CE1 3.8Å; F72-F95 HydrophobicContact CG-CE1 3.8Å; F72-F95 WeakPolarHBondContact O-CA 3.42Å; F72-F96 PolarHBondContact O-N 2.89Å
73V98.3Very high96.1Very high0 Ų039.9 Ų39.90%019%0.187CC..EExtended strand (participates in β ladder)trans-115.3117.4171.5-178.80000107.3F10 V19 A20 L21 L22 L36 I75 F96 F206F10-V73 HydrophobicContact CE2-CG1 4.46Å; F10-V73 HydrophobicContact CE2-CG2 3.81Å; F10-V73 HydrophobicContact CZ-CG1 4.45Å; F10-V73 HydrophobicContact CZ-CG2 4.31Å; V19-V73 HydrophobicContact CG1-CB 4.24Å; V19-V73 HydrophobicContact CG1-CG2 3.49Å; V19-V73 VanDerWaalsContact CG1-CG2 3.49Å; A20-V73 PolarHBondContact O-N 3.26Å; L21-V73 CarbonylContact C-O 3.56Å; L21-V73 WeakPolarHBondContact CA-O 3.37Å; L21-V73 HydrophobicContact CD1-CB 3.73Å; L21-V73 HydrophobicContact CD1-CG1 3.65Å; L22-V73 PolarHBondContact N-O 2.78Å; L36-V73 HydrophobicContact CD2-CG1 4.03Å; V73-I75 HydrophobicContact CG1-CG1 4.36Å; V73-F96 CarbonylContact C-O 3.57Å; V73-F96 WeakPolarHBondContact CA-O 3.4Å; V73-F96 HydrophobicContact CG2-CB 4.15Å; V73-F96 HydrophobicContact CG2-CD2 4.3Å; V73-F206 HydrophobicContact CG1-CZ 4.46Å
74L98.5Very high96Very high0 Ų036.3 Ų36.30%017%0.168CC..EExtended strand (participates in β ladder)trans-103.8127178.2-75.471.6000108.5L22 L58 F72 C77 L83 F95 F96 C98L22-L74 HydrophobicContact CB-CG 4.22Å; L22-L74 HydrophobicContact CD1-CD1 4Å; L22-L74 HydrophobicContact CD1-CG 4.17Å; L22-L74 CarbonylContact O-C 3.51Å; L22-L74 WeakPolarHBondContact O-CA 3.29Å; L58-L74 HydrophobicContact CD1-CD2 4.18Å; F72-L74 HydrophobicContact CB-CD1 3.92Å; L74-C77 WeakPolarHBondContact CB-O 3.43Å; L74-L83 HydrophobicContact CD2-CD1 4.13Å; L74-L83 HydrophobicContact CD2-CD2 3.88Å; L74-F95 HydrophobicContact CD1-CD1 3.92Å; L74-F96 PolarHBondContact N-O 3.11Å; L74-C98 PolarHBondContact O-N 3.47Å
75I98.4Very high96Very high0 Ų037.3 Ų37.30%017%0.173CC..EExtended strand (participates in β ladder)trans-115.4122.9177.1-58.2-174.9000109.6L21 L22 V23 A24 A32 C33 L36 V73 C77 C98 A202 F206L21-I75 HydrophobicContact CD1-CD1 3.75Å; L21-I75 HydrophobicContact CD1-CG1 4.05Å; L22-I75 PolarHBondContact O-N 2.85Å; V23-I75 HydrophobicContact CG1-CB 4.19Å; V23-I75 HydrophobicContact CG1-CG2 4.39Å; V23-I75 HydrophobicContact CG2-CB 4.31Å; V23-I75 HydrophobicContact CG2-CD1 4.2Å; V23-I75 HydrophobicContact CG2-CG1 4.43Å; A24-I75 WeakPolarHBondContact CB-O 3.34Å; A24-I75 PolarHBondContact N-O 3.2Å; A32-I75 HydrophobicContact CB-CD1 4.28Å; A32-I75 HydrophobicContact CB-CG2 3.64Å; C33-I75 HydrophobicContact CB-CD1 4.34Å; L36-I75 HydrophobicContact CD2-CD1 4.31Å; V73-I75 HydrophobicContact CG1-CG1 4.36Å; I75-C77 PolarHBondContact O-N 3.34Å; I75-C98 WeakPolarHBondContact CA-O 3.25Å; I75-A202 HydrophobicContact CG2-CB 4.3Å; I75-F206 HydrophobicContact CD1-CD2 4.46Å; I75-F206 HydrophobicContact CD1-CE2 3.65Å; I75-F206 HydrophobicContact CD1-CZ 4.15Å; I75-F206 HydrophobicContact CG1-CE2 3.89Å; I75-F206 HydrophobicContact CG1-CZ 4.24Å
76N97.6Very high96Very high0 Ų038.7 Ų38.70%018%0.18CC..SBendtrans56.528.7-178.2-79.7-5.7000114.8A24 D26 D28 G29 C98 D99 T100 H101 A202A24-N76 HydrophobicContact CB-CB 3.86Å; A24-N76 VanDerWaalsContact CB-O 3.31Å; A24-N76 WeakPolarHBondContact CB-O 3.16Å; D26-N76 PolarHBondContact OD1-ND2 3.37Å; D26-N76 VanDerWaalsContact OD2-CB 3.23Å; D26-N76 WeakPolarHBondContact OD2-CB 3.4Å; D26-N76 PolarHBondContact OD2-ND2 3.27Å; D26-N76 VanDerWaalsContact OD2-ND2 3.13Å; D28-N76 PolarHBondContact OD2-ND2 2.95Å; G29-N76 PolarHBondContact N-ND2 3.01Å; N76-C98 PolarHBondContact N-O 2.82Å; N76-D99 VanDerWaalsContact C-CG 3.49Å; N76-D99 VanDerWaalsContact CA-OD1 3.27Å; N76-D99 WeakPolarHBondContact CA-OD1 3.33Å; N76-T100 WeakPolarHBondContact OD1-CG2 3.41Å; N76-T100 PolarHBondContact OD1-N 3.4Å; N76-H101 PolarHBondContact O-CE1 2.85Å; N76-H101 PolarHBondContact O-ND1 2.85Å; N76-A202 WeakPolarHBondContact OD1-CB 3.39Å
77C96.8Very high96.1Very high0 Ų036.5 Ų36.50%017%0.171CC..SBendtrans-152157.2171.255.40000111.4A24 L58 L74 I75 D99 F547A24-C77 HydrophobicContact CB-CB 4.34Å; L58-C77 HydrophobicContact CD1-CB 4.05Å; L74-C77 WeakPolarHBondContact CB-O 3.43Å; I75-C77 PolarHBondContact O-N 3.34Å; C77-D99 VanDerWaalsContact CA-OD2 3.3Å; C77-D99 WeakPolarHBondContact CA-OD2 3.4Å; C77-D99 VanDerWaalsContact N-CG 3.32Å; C77-D99 PolarHBondContact N-OD2 3.37Å; C77-F547 HydrophobicContact CB-CD1 3.6Å; C77-F547 HydrophobicContact CB-CD2 4.14Å; C77-F547 HydrophobicContact CB-CE1 3.43Å; C77-F547 VanDerWaalsContact CB-CE1 3.43Å; C77-F547 HydrophobicContact CB-CE2 3.98Å; C77-F547 HydrophobicContact CB-CG 3.98Å; C77-F547 HydrophobicContact CB-CZ 3.63Å
78G94.8Very high96.1Very high0 Ų036.9 Ų36.90%017%0.173CC..SBendtrans92.9-10.2169.500000116.3D99 N108G78-D99 PolarHBondContact N-OD2 2.91Å; G78-N108 PolarHBondContact O-ND2 3.21Å; G78-N108 VanDerWaalsContact O-ND2 3.07Å
79A95.4Very high96.2Very high0 Ų032.6 Ų32.60%016%0.155CC..SBendtrans-77.4-32.3-179.200000113.8I97 D99 V104 D105 N108A79-I97 HydrophobicContact CB-CG2 3.98Å; A79-D99 HydrophobicContact CB-CB 3.61Å; A79-D99 WeakPolarHBondContact CB-OD2 3.2Å; A79-D99 PolarHBondContact N-OD2 3.37Å; A79-V104 HydrophobicContact CB-CG1 4.29Å; A79-V104 HydrophobicContact CB-CG2 4.48Å; A79-V104 CarbonylContact O-C 3.58Å; A79-V104 WeakPolarHBondContact O-CA 3.39Å; A79-V104 WeakPolarHBondContact O-CG1 3.47Å; A79-D105 PolarHBondContact O-N 3.4Å; A79-N108 PolarHBondContact O-ND2 2.93Å; A79-N108 VanDerWaalsContact O-ND2 3.14Å
80N94.4Very high96.1Very high31 Ų3135.4 Ų35.417%0.16617%0.171CC..SBendtrans-93.210.1-169.163.1-24.1000115.2W55 H101 P103 F547W55-N80 WeakPolarHBondContact CH2-OD1 3.42Å; W55-N80 VanDerWaalsContact CZ2-OD1 3.29Å; W55-N80 WeakPolarHBondContact CZ2-OD1 3.45Å; N80-H101 HydrophobicContact CB-CB 4.17Å; N80-P103 WeakPolarHBondContact CB-O 3.5Å; N80-F547 PolarHBondContact ND2-O 3.11Å
81V94.5Very high95.9Very high35 Ų3535.2 Ų35.221%0.21219%0.187CC..SBendtrans-136.5155.2175.7-58.50000109.5W55 L83 M86 D105 N108W55-V81 HydrophobicContact CE3-CG2 4.35Å; W55-V81 HydrophobicContact CH2-CB 4.18Å; W55-V81 HydrophobicContact CH2-CG1 3.77Å; W55-V81 HydrophobicContact CH2-CG2 3.3Å; W55-V81 HydrophobicContact CZ2-CB 4.44Å; W55-V81 HydrophobicContact CZ2-CG1 3.55Å; W55-V81 HydrophobicContact CZ2-CG2 4Å; W55-V81 HydrophobicContact CZ3-CG2 3.51Å; V81-L83 PolarHBondContact O-N 2.88Å; V81-M86 HydrophobicContact CG2-SD 4.31Å; V81-D105 VanDerWaalsContact C-CB 3.41Å; V81-D105 WeakPolarHBondContact O-CB 3.38Å; V81-N108 PolarHBondContact O-ND2 3.46Å
82D95.9Very high95.7Very high34 Ų3438 Ų3818%0.18220%0.203CC..  trans-63.699.5167.2-174.1-22.1000109.3L84 E85 M86 D105 V107D82-L84 VanDerWaalsContact C-N 3.29Å; D82-L84 PolarHBondContact O-N 2.81Å; D82-L84 PolarHBondContact OD1-N 3.41Å; D82-E85 HydrophobicContact CB-CB 4.01Å; D82-E85 PolarHBondContact OD1-N 3.44Å; D82-M86 VanDerWaalsContact O-CB 3.31Å; D82-M86 WeakPolarHBondContact O-CB 3.41Å; D82-M86 PolarHBondContact O-N 2.56Å; D82-M86 VanDerWaalsContact O-N 3.11Å; D82-D105 PolarHBondContact N-OD2 3.41Å; D82-V107 HydrophobicContact CB-CB 4.48Å; D82-V107 WeakPolarHBondContact OD2-CG2 3.49Å
83L95.6Very high95.6Very high0 Ų038 Ų380%020%0.203CC..Hα-helixtrans-71.4-29.6-173.9-169.766.8000111.5L74 V81 L87 F95 I97 N108 I115L74-L83 HydrophobicContact CD2-CD1 4.13Å; L74-L83 HydrophobicContact CD2-CD2 3.88Å; V81-L83 PolarHBondContact O-N 2.88Å; L83-L87 HydrophobicContact CD1-CD1 3.64Å; L83-L87 HydrophobicContact CD1-CG 4Å; L83-L87 HydrophobicContact CD2-CD1 4.5Å; L83-L87 HydrophobicContact CG-CD1 3.9Å; L83-L87 HydrophobicContact CG-CG 4.38Å; L83-L87 WeakPolarHBondContact O-CB 3.45Å; L83-L87 PolarHBondContact O-N 2.8Å; L83-F95 HydrophobicContact CD2-CB 4.15Å; L83-F95 HydrophobicContact CD2-CD1 3.94Å; L83-F95 HydrophobicContact CD2-CG 4.03Å; L83-I97 HydrophobicContact CD2-CD1 3.61Å; L83-I97 HydrophobicContact CD2-CG1 4.26Å; L83-N108 PolarHBondContact N-OD1 2.98Å; L83-I115 HydrophobicContact CB-CD1 4.36Å; L83-I115 HydrophobicContact CD2-CD1 4.06Å
84L95.8Very high95.6Very high30 Ų3039.3 Ų39.316%0.15721%0.21CC..Hα-helixtrans-76.5-41.8-178.2-62.5-178.9000110.8D82 M86 Q88 P89 F95 N111 Q114 I115D82-L84 VanDerWaalsContact C-N 3.29Å; D82-L84 PolarHBondContact O-N 2.81Å; D82-L84 PolarHBondContact OD1-N 3.41Å; L84-M86 VanDerWaalsContact C-N 3.32Å; L84-Q88 WeakPolarHBondContact O-CA 3.35Å; L84-Q88 PolarHBondContact O-N 3.17Å; L84-P89 HydrophobicContact CD2-CG 3.68Å; L84-P89 WeakPolarHBondContact O-CD 3.39Å; L84-F95 HydrophobicContact CD2-CD2 4.48Å; L84-F95 HydrophobicContact CD2-CE2 4.42Å; L84-N111 HydrophobicContact CD1-CB 4.44Å; L84-N111 VanDerWaalsContact CD1-ND2 3.32Å; L84-N111 WeakPolarHBondContact CD1-ND2 3.35Å; L84-Q114 HydrophobicContact CD2-CB 4.14Å; L84-I115 HydrophobicContact CD1-CG1 4.14Å; L84-I115 HydrophobicContact CD2-CD1 3.7Å; L84-I115 HydrophobicContact CD2-CG1 4.11Å; L84-I115 HydrophobicContact CG-CD1 4.01Å; L84-I115 HydrophobicContact CG-CG1 4.02Å
85E95.7Very high95.6Very high146 Ų14639.3 Ų39.368%0.68221%0.21SC*.Hα-helixtrans-61.6-43.2172.3-175.3177.1-17000110.9D82 Q88D82-E85 HydrophobicContact CB-CB 4.01Å; D82-E85 PolarHBondContact OD1-N 3.44Å; E85-Q88 WeakPolarHBondContact O-CG 3.45Å
86M94.9Very high95.6Very high65 Ų6539.4 Ų39.432%0.3221%0.21SC..Hα-helixtrans-66.4-48.9-177.6-171.8-163.1-172.100113.1W55 S59 V81 D82 L84W55-M86 HydrophobicContact CB-CE 3.59Å; W55-M86 HydrophobicContact CD2-CE 3.99Å; W55-M86 HydrophobicContact CD2-SD 4.42Å; W55-M86 HydrophobicContact CE3-CE 3.56Å; W55-M86 HydrophobicContact CE3-SD 3.58Å; W55-M86 VanDerWaalsContact CE3-SD 3.58Å; W55-M86 HydrophobicContact CG-CE 4.05Å; W55-M86 HydrophobicContact CZ3-SD 3.98Å; S59-M86 VanDerWaalsContact OG-CE 3.25Å; S59-M86 WeakPolarHBondContact OG-CE 3.47Å; V81-M86 HydrophobicContact CG2-SD 4.31Å; D82-M86 VanDerWaalsContact O-CB 3.31Å; D82-M86 WeakPolarHBondContact O-CB 3.41Å; D82-M86 PolarHBondContact O-N 2.56Å; D82-M86 VanDerWaalsContact O-N 3.11Å; L84-M86 VanDerWaalsContact C-N 3.32Å
87L95Very high95.6Very high11 Ų1139.4 Ų39.46%0.05821%0.21CC..Hα-helixtrans-92.5-19.9-171.5-63.8-175.4000113.9L58 F62 L83 F95L58-L87 HydrophobicContact CD2-CD1 4.06Å; L58-L87 HydrophobicContact CD2-CD2 3.74Å; L58-L87 HydrophobicContact CD2-CG 4.41Å; F62-L87 HydrophobicContact CB-CD1 4.44Å; F62-L87 HydrophobicContact CB-CD2 4.07Å; F62-L87 HydrophobicContact CD1-CB 3.89Å; F62-L87 HydrophobicContact CD1-CD1 4.34Å; F62-L87 HydrophobicContact CD1-CD2 4.05Å; F62-L87 HydrophobicContact CD1-CG 4.32Å; F62-L87 HydrophobicContact CD2-CD1 4.15Å; F62-L87 HydrophobicContact CE1-CB 3.9Å; F62-L87 WeakPolarHBondContact CE1-O 3.39Å; F62-L87 HydrophobicContact CG-CB 4.42Å; F62-L87 HydrophobicContact CG-CD1 4.03Å; F62-L87 HydrophobicContact CG-CD2 4.13Å; F62-L87 HydrophobicContact CG-CG 4.44Å; F62-L87 HydrophobicContact CZ-CB 4.44Å; L83-L87 HydrophobicContact CD1-CD1 3.64Å; L83-L87 HydrophobicContact CD1-CG 4Å; L83-L87 HydrophobicContact CD2-CD1 4.5Å; L83-L87 HydrophobicContact CG-CD1 3.9Å; L83-L87 HydrophobicContact CG-CG 4.38Å; L83-L87 WeakPolarHBondContact O-CB 3.45Å; L83-L87 PolarHBondContact O-N 2.8Å; L87-F95 HydrophobicContact CD1-CE1 3.89Å; L87-F95 HydrophobicContact CD1-CZ 4.31Å
88Q95.4Very high95.6Very high157 Ų15739.5 Ų39.573%0.73421%0.211SC*.  trans44.758.2-174.2-58.9-172.6-23.400112.6L84 E85L84-Q88 WeakPolarHBondContact O-CA 3.35Å; L84-Q88 PolarHBondContact O-N 3.17Å; E85-Q88 WeakPolarHBondContact O-CG 3.45Å
89P95.5Very high95.7Very high22 Ų2239.7 Ų39.714%0.14321%0.212CC..  trans-75.9162.5-175.134.8-37.6000112.5F62 L84 F95F62-P89 HydrophobicContact CE1-CB 4.39Å; F62-P89 HydrophobicContact CZ-CB 3.7Å; L84-P89 HydrophobicContact CD2-CG 3.68Å; L84-P89 WeakPolarHBondContact O-CD 3.39Å; P89-F95 HydrophobicContact CB-CE2 3.65Å; P89-F95 HydrophobicContact CB-CZ 3.63Å; P89-F95 HydrophobicContact CG-CE2 3.64Å; P89-F95 HydrophobicContact CG-CZ 3.99Å
90D93.9Very high95.8Very high77 Ų7739.8 Ų39.841%0.41221%0.212SC..  trans-66.7149.1169.4-64.1-47.8000110.9D92 S93 Q114D90-D92 WeakPolarHBondContact CB-OD1 3.46Å; D90-D92 PolarHBondContact O-N 2.8Å; D90-S93 VanDerWaalsContact O-CB 3.29Å; D90-S93 WeakPolarHBondContact O-CB 3.23Å; D90-S93 PolarHBondContact O-N 3.46Å; D90-S93 PolarHBondContact O-OG 2.84Å; D90-Q114 PolarHBondContact O-NE2 3.12Å
91S92.1Very high95.8Very high111 Ų11138.7 Ų38.778%0.77621%0.206SC*.THydrogen-bonded Turntrans-59.4-19.1-173.8610000115.5
92D93.8Very high95.8Very high77 Ų7737.3 Ų37.341%0.41220%0.197SC..THydrogen-bonded Turntrans-93.7-9.5179.569.8-39.6000113.5R70 D90R70-D92 WeakPolarHBondContact CG-O 3.31Å; R70-D92 PolarHBondContact NE-O 3.33Å; R70-D92 IonicContact NE-OD2 3.85Å; D90-D92 WeakPolarHBondContact CB-OD1 3.46Å; D90-D92 PolarHBondContact O-N 2.8Å
93S96.1Very high95.7Very high2 Ų236.4 Ų36.41%0.01419%0.193CC..  trans-68.1134.1176.5-65.40000111.1R70 D90 Q114R70-S93 WeakPolarHBondContact O-CA 3.15Å; D90-S93 VanDerWaalsContact O-CB 3.29Å; D90-S93 WeakPolarHBondContact O-CB 3.23Å; D90-S93 PolarHBondContact O-N 3.46Å; D90-S93 PolarHBondContact O-OG 2.84Å; S93-Q114 WeakPolarHBondContact O-CB 3.35Å; S93-Q114 WeakPolarHBondContact O-CG 3.28Å; S93-Q114 PolarHBondContact O-NE2 2.9Å
94I97.4Very high95.7Very high28 Ų2836.5 Ų36.514%0.14419%0.194CC..EExtended strand (participates in β ladder)trans-120.1128.8-179.1-60.4176.2000109.2R70 Y71 F72 F96 K116R70-I94 PolarHBondContact O-N 3.45Å; Y71-I94 HydrophobicContact CD1-CB 3.97Å; Y71-I94 HydrophobicContact CD1-CD1 4.34Å; Y71-I94 HydrophobicContact CD1-CG2 4.36Å; Y71-I94 HydrophobicContact CE1-CB 4.16Å; Y71-I94 HydrophobicContact CE1-CD1 3.64Å; Y71-I94 HydrophobicContact CE1-CG1 4.35Å; F72-I94 PolarHBondContact N-O 3.36Å; I94-F96 HydrophobicContact CG2-CD2 4.36Å; I94-F96 HydrophobicContact CG2-CE1 4.49Å; I94-F96 HydrophobicContact CG2-CE2 3.88Å; I94-F96 HydrophobicContact CG2-CZ 3.95Å; I94-K116 HydrophobicContact CG2-CG 4.17Å
95F98.2Very high95.7Very high0 Ų036.2 Ų36.20%019%0.192CC..EExtended strand (participates in β ladder)trans-112.4118.4-179.1-60.9-88.8000110.4F62 F72 L74 L83 L84 L87 P89 I97 Q114 I115 K116F62-F95 HydrophobicContact CD2-CE1 4.19Å; F62-F95 HydrophobicContact CD2-CZ 4.42Å; F62-F95 AromaticContact CE2-CE1 3.83Å; F62-F95 HydrophobicContact CE2-CE1 3.83Å; F62-F95 AromaticContact CE2-CZ 3.65Å; F62-F95 HydrophobicContact CE2-CZ 3.65Å; F62-F95 HydrophobicContact CZ-CZ 4.08Å; F72-F95 HydrophobicContact CB-CD1 3.6Å; F72-F95 HydrophobicContact CB-CE1 3.86Å; F72-F95 HydrophobicContact CB-CG 4.46Å; F72-F95 HydrophobicContact CD2-CD1 4.22Å; F72-F95 AromaticContact CD2-CE1 3.76Å; F72-F95 HydrophobicContact CD2-CE1 3.76Å; F72-F95 HydrophobicContact CD2-CZ 4.11Å; F72-F95 HydrophobicContact CG-CD1 4.08Å; F72-F95 AromaticContact CG-CE1 3.8Å; F72-F95 HydrophobicContact CG-CE1 3.8Å; F72-F95 WeakPolarHBondContact O-CA 3.42Å; L74-F95 HydrophobicContact CD1-CD1 3.92Å; L83-F95 HydrophobicContact CD2-CB 4.15Å; L83-F95 HydrophobicContact CD2-CD1 3.94Å; L83-F95 HydrophobicContact CD2-CG 4.03Å; L84-F95 HydrophobicContact CD2-CD2 4.48Å; L84-F95 HydrophobicContact CD2-CE2 4.42Å; L87-F95 HydrophobicContact CD1-CE1 3.89Å; L87-F95 HydrophobicContact CD1-CZ 4.31Å; P89-F95 HydrophobicContact CB-CE2 3.65Å; P89-F95 HydrophobicContact CB-CZ 3.63Å; P89-F95 HydrophobicContact CG-CE2 3.64Å; P89-F95 HydrophobicContact CG-CZ 3.99Å; F95-I97 HydrophobicContact CB-CG1 4.42Å; F95-Q114 PolarHBondContact N-O 3.04Å; F95-I115 HydrophobicContact CB-CD1 3.81Å; F95-I115 HydrophobicContact CD2-CD1 3.88Å; F95-I115 HydrophobicContact CG-CD1 4.09Å; F95-K116 PolarHBondContact O-N 3.01Å
96F98.2Very high95.6Very high2 Ų229.5 Ų29.51%0.00916%0.161CC..EExtended strand (participates in β ladder)trans-99112.4170-65.6-74.5000109.3I3 D9 F10 V13 V14 Y71 F72 V73 L74 I94 K116 L118I3-F96 HydrophobicContact CD1-CD1 3.96Å; I3-F96 HydrophobicContact CD1-CE1 4.29Å; D9-F96 WeakPolarHBondContact O-CE1 3.45Å; F10-F96 HydrophobicContact CB-CD1 4.11Å; F10-F96 HydrophobicContact CB-CE1 4Å; F10-F96 HydrophobicContact CD2-CB 3.89Å; F10-F96 AromaticContact CD2-CD1 3.43Å; F10-F96 HydrophobicContact CD2-CD1 3.43Å; F10-F96 VanDerWaalsContact CD2-CD1 3.43Å; F10-F96 AromaticContact CD2-CD2 3.8Å; F10-F96 HydrophobicContact CD2-CD2 3.8Å; F10-F96 AromaticContact CD2-CE1 3.79Å; F10-F96 HydrophobicContact CD2-CE1 3.79Å; F10-F96 HydrophobicContact CD2-CE2 4.11Å; F10-F96 AromaticContact CD2-CG 3.43Å; F10-F96 HydrophobicContact CD2-CG 3.43Å; F10-F96 VanDerWaalsContact CD2-CG 3.43Å; F10-F96 HydrophobicContact CD2-CZ 4.11Å; F10-F96 HydrophobicContact CE2-CB 3.89Å; F10-F96 HydrophobicContact CE2-CD1 4.26Å; F10-F96 HydrophobicContact CE2-CD2 4.01Å; F10-F96 AromaticContact CE2-CG 3.81Å; F10-F96 HydrophobicContact CE2-CG 3.81Å; F10-F96 HydrophobicContact CG-CD1 4.2Å; F10-F96 HydrophobicContact CG-CE1 4.41Å; V13-F96 HydrophobicContact CB-CZ 4.25Å; V13-F96 HydrophobicContact CG1-CZ 4.1Å; V14-F96 HydrophobicContact CG1-CD2 3.87Å; V14-F96 HydrophobicContact CG1-CE2 3.44Å; V14-F96 VanDerWaalsContact CG1-CE2 3.44Å; V14-F96 HydrophobicContact CG1-CZ 4.22Å; Y71-F96 AromaticContact CD1-CE2 3.92Å; Y71-F96 HydrophobicContact CD1-CE2 3.92Å; F72-F96 PolarHBondContact O-N 2.89Å; V73-F96 CarbonylContact C-O 3.57Å; V73-F96 WeakPolarHBondContact CA-O 3.4Å; V73-F96 HydrophobicContact CG2-CB 4.15Å; V73-F96 HydrophobicContact CG2-CD2 4.3Å; L74-F96 PolarHBondContact N-O 3.11Å; I94-F96 HydrophobicContact CG2-CD2 4.36Å; I94-F96 HydrophobicContact CG2-CE1 4.49Å; I94-F96 HydrophobicContact CG2-CE2 3.88Å; I94-F96 HydrophobicContact CG2-CZ 3.95Å; F96-K116 CarbonylContact C-O 3.59Å; F96-K116 WeakPolarHBondContact CA-O 3.35Å; F96-K116 HydrophobicContact CD1-CB 3.55Å; F96-K116 HydrophobicContact CD1-CG 4.12Å; F96-K116 HydrophobicContact CE1-CB 3.77Å; F96-K116 HydrophobicContact CE1-CG 3.88Å; F96-K116 HydrophobicContact CG-CB 4.49Å; F96-L118 HydrophobicContact CB-CD1 4.09Å
97I98.1Very high95.6Very high0 Ų028.1 Ų28.10%016%0.157CC..EExtended strand (participates in β ladder)trans-109.5108.4-172.7-53.7176.1000109.1A79 L83 F95 D99 I115 K116 L117 L118A79-I97 HydrophobicContact CB-CG2 3.98Å; L83-I97 HydrophobicContact CD2-CD1 3.61Å; L83-I97 HydrophobicContact CD2-CG1 4.26Å; F95-I97 HydrophobicContact CB-CG1 4.42Å; I97-D99 HydrophobicContact CG2-CB 3.74Å; I97-I115 HydrophobicContact CD1-CD1 4.46Å; I97-I115 HydrophobicContact CD1-CG2 3.71Å; I97-K116 PolarHBondContact N-O 3.48Å; I97-L117 HydrophobicContact CB-CD2 4Å; I97-L117 HydrophobicContact CD1-CD2 4.09Å; I97-L117 HydrophobicContact CG2-CD2 4.39Å; I97-L118 WeakPolarHBondContact O-CB 3.49Å; I97-L118 PolarHBondContact O-N 3.14Å
98C97.8Very high95.6Very high2 Ų227.6 Ų27.61%0.01415%0.154CC..EExtended strand (participates in β ladder)trans-105.987.6169.7-168.20000108.8L74 I75 N76 L118 F206L74-C98 PolarHBondContact O-N 3.47Å; I75-C98 WeakPolarHBondContact CA-O 3.25Å; N76-C98 PolarHBondContact N-O 2.82Å; C98-L118 HydrophobicContact CB-CB 3.75Å; C98-L118 HydrophobicContact CB-CD1 3.9Å; C98-L118 HydrophobicContact CB-CG 4.48Å; C98-F206 HydrophobicContact CB-CE2 3.69Å; C98-F206 HydrophobicContact CB-CZ 3.66Å
99D97.1Very high95.6Very high4 Ų420.7 Ų20.72%0.02112%0.123CC..  trans-129.1139.1-172.1-171.94.7000111.4N76 C77 G78 A79 I97 H101 R102N76-D99 VanDerWaalsContact C-CG 3.49Å; N76-D99 VanDerWaalsContact CA-OD1 3.27Å; N76-D99 WeakPolarHBondContact CA-OD1 3.33Å; C77-D99 VanDerWaalsContact CA-OD2 3.3Å; C77-D99 WeakPolarHBondContact CA-OD2 3.4Å; C77-D99 VanDerWaalsContact N-CG 3.32Å; C77-D99 PolarHBondContact N-OD2 3.37Å; G78-D99 PolarHBondContact N-OD2 2.91Å; A79-D99 HydrophobicContact CB-CB 3.61Å; A79-D99 WeakPolarHBondContact CB-OD2 3.2Å; A79-D99 PolarHBondContact N-OD2 3.37Å; I97-D99 HydrophobicContact CG2-CB 3.74Å; D99-H101 IonicContact OD1-CE1 3.13Å; D99-H101 IonicContact OD1-CG 2.59Å; D99-H101 PolarHBondContact OD1-N 2.94Å; D99-H101 IonicContact OD1-ND1 2.7Å; D99-H101 PolarHBondContact OD1-ND1 3.42Å; D99-H101 IonicContact OD2-ND1 3.99Å; D99-H101 PolarHBondContact OD2-ND1 3.37Å; D99-R102 PolarHBondContact O-NH1 2.96Å
100T95.7Very high95.5Very high1 Ų123.2 Ų23.21%0.00613%0.13CC..  trans-86-21.1178.565.60000112.5D28 N76 R102 H198 G199 T200 A202D28-T100 WeakPolarHBondContact OD2-CG2 3.36Å; N76-T100 WeakPolarHBondContact OD1-CG2 3.41Å; N76-T100 PolarHBondContact OD1-N 3.4Å; T100-R102 PolarHBondContact O-NH1 2.92Å; T100-H198 CarbonylContact O-C 3.43Å; T100-H198 VanDerWaalsContact O-CA 3.26Å; T100-H198 WeakPolarHBondContact O-CA 3.35Å; T100-H198 PolarHBondContact OG1-ND1 2.96Å; T100-G199 PolarHBondContact O-N 3.15Å; T100-T200 WeakPolarHBondContact CG2-O 3.39Å; T100-A202 HydrophobicContact CG2-CB 4.3Å
101H95.6Very high95.5Very high8 Ų820.9 Ų20.94%0.03712%0.117CC..EExtended strand (participates in β ladder)trans-62.7138-176.5-62.189.8000111.7N76 N80 D99 H198 D548N76-H101 PolarHBondContact O-CE1 2.85Å; N76-H101 PolarHBondContact O-ND1 2.85Å; N80-H101 HydrophobicContact CB-CB 4.17Å; D99-H101 IonicContact OD1-CE1 3.13Å; D99-H101 IonicContact OD1-CG 2.59Å; D99-H101 PolarHBondContact OD1-N 2.94Å; D99-H101 IonicContact OD1-ND1 2.7Å; D99-H101 PolarHBondContact OD1-ND1 3.42Å; D99-H101 IonicContact OD2-ND1 3.99Å; D99-H101 PolarHBondContact OD2-ND1 3.37Å; H101-H198 AromaticContact CD2-CE1 3.47Å; H101-H198 PolarHBondContact CD2-CE1 2.91Å; H101-H198 VanDerWaalsContact CD2-CE1 3.47Å; H101-H198 AromaticContact NE2-CE1 3.59Å; H101-D548 IonicContact CD2-OD1 3.71Å; H101-D548 PolarHBondContact CD2-OD1 2.87Å; H101-D548 IonicContact NE2-OD1 3.02Å; H101-D548 PolarHBondContact NE2-OD1 3.48Å; H101-D548 VanDerWaalsContact NE2-OD1 3.12Å
102R94.1Very high95.4Very high7 Ų720.6 Ų20.63%0.02611%0.107CC..EExtended strand (participates in β ladder)trans-135.5151177.4-61.3-66.1-179.6-83.9-9.7110.2D99 T100 D123 L125 E196 Y197D99-R102 PolarHBondContact O-NH1 2.96Å; T100-R102 PolarHBondContact O-NH1 2.92Å; R102-D123 IonicContact NH2-OD2 3.97Å; R102-L125 VanDerWaalsContact NE-CD2 3.25Å; R102-E196 CarbonylContact O-C 3.55Å; R102-E196 VanDerWaalsContact O-CA 3.27Å; R102-E196 WeakPolarHBondContact O-CA 3.32Å; R102-Y197 WeakPolarHBondContact CA-O 3.42Å; R102-Y197 HydrophobicContact CB-CD1 3.72Å; R102-Y197 HydrophobicContact CB-CD2 3.73Å; R102-Y197 HydrophobicContact CB-CE1 3.46Å; R102-Y197 VanDerWaalsContact CB-CE1 3.46Å; R102-Y197 HydrophobicContact CB-CE2 3.46Å; R102-Y197 VanDerWaalsContact CB-CE2 3.46Å; R102-Y197 HydrophobicContact CB-CG 3.85Å; R102-Y197 WeakPolarHBondContact CB-O 3.46Å; R102-Y197 HydrophobicContact CG-CD2 4Å; R102-Y197 HydrophobicContact CG-CE1 4.41Å; R102-Y197 HydrophobicContact CG-CE2 3.55Å; R102-Y197 PolarHBondContact N-O 3.49Å; R102-Y197 PolarHBondContact O-N 2.85Å
103P94.4Very high95.4Very high15 Ų1521.5 Ų21.510%0.09712%0.115CC..SBendcis-69.7160.9-1.328.3-32.7000112.9N80 Y192 Y195N80-P103 WeakPolarHBondContact CB-O 3.5Å; P103-Y192 HydrophobicContact CB-CD1 4.22Å; P103-Y192 HydrophobicContact CB-CD2 4.44Å; P103-Y192 HydrophobicContact CB-CE1 3.65Å; P103-Y192 HydrophobicContact CB-CE2 3.9Å; P103-Y192 VanDerWaalsContact CB-CZ 3.46Å; P103-Y192 HydrophobicContact CG-CE1 4.36Å; P103-Y195 WeakPolarHBondContact CD-O 3.43Å
104V95Very high95.3Very high1 Ų122.7 Ų22.71%0.00612%0.121CC..PPolyproline II helixtrans-83.4135.1173.7-176.20000107.1A79 V106 N108 V109 L117 I119 Y192A79-V104 HydrophobicContact CB-CG1 4.29Å; A79-V104 HydrophobicContact CB-CG2 4.48Å; A79-V104 CarbonylContact O-C 3.58Å; A79-V104 WeakPolarHBondContact O-CA 3.39Å; A79-V104 WeakPolarHBondContact O-CG1 3.47Å; V104-V106 PolarHBondContact O-N 2.78Å; V104-N108 HydrophobicContact CG1-CB 4.22Å; V104-V109 HydrophobicContact CB-CG2 3.97Å; V104-V109 HydrophobicContact CG1-CG2 3.68Å; V104-L117 HydrophobicContact CG1-CD1 3.83Å; V104-L117 HydrophobicContact CG1-CD2 4.26Å; V104-I119 HydrophobicContact CG2-CD1 3.75Å; V104-Y192 PolarHBondContact N-OH 3.42Å; V104-Y192 WeakPolarHBondContact O-CE1 3.31Å; V104-Y192 PolarHBondContact O-OH 3.01Å
105D95.4Very high95.3Very high24 Ų2421.3 Ų21.313%0.12811%0.114CC..PPolyproline II helixtrans-57.1136.6175.8-178.3-86.8000111.1A79 V81 D82 V107 N108 V109A79-D105 PolarHBondContact O-N 3.4Å; V81-D105 VanDerWaalsContact C-CB 3.41Å; V81-D105 WeakPolarHBondContact O-CB 3.38Å; D82-D105 PolarHBondContact N-OD2 3.41Å; D105-V107 VanDerWaalsContact C-N 3.28Å; D105-V107 PolarHBondContact O-N 2.78Å; D105-V107 WeakPolarHBondContact OD1-CA 3.41Å; D105-V107 WeakPolarHBondContact OD1-CB 3.49Å; D105-V107 PolarHBondContact OD1-N 3.3Å; D105-N108 HydrophobicContact CB-CB 4.41Å; D105-N108 WeakPolarHBondContact O-CB 3.38Å; D105-N108 PolarHBondContact O-N 3.32Å; D105-N108 PolarHBondContact OD1-N 3.43Å; D105-V109 PolarHBondContact O-N 2.75Å; D105-V109 VanDerWaalsContact O-N 3.11Å
106V94.7Very high95.3Very high5 Ų523.4 Ų23.43%0.0312%0.123CC..Hα-helixtrans-64.7-32.3-174-66.30000112.4V104 V109 Y110 P128 I133 F134 L189 Y192V104-V106 PolarHBondContact O-N 2.78Å; V106-V109 PolarHBondContact O-N 2.68Å; V106-Y110 VanDerWaalsContact O-CD2 3.26Å; V106-Y110 WeakPolarHBondContact O-CD2 3.45Å; V106-Y110 PolarHBondContact O-N 2.66Å; V106-P128 HydrophobicContact CG1-CG 4.5Å; V106-I133 HydrophobicContact CB-CD1 3.67Å; V106-I133 HydrophobicContact CG1-CD1 3.92Å; V106-I133 HydrophobicContact CG2-CD1 4.03Å; V106-F134 HydrophobicContact CG2-CZ 4.31Å; V106-L189 HydrophobicContact CG1-CD2 4.13Å; V106-L189 HydrophobicContact CG2-CD2 4.12Å; V106-Y192 HydrophobicContact CG1-CD1 4.03Å; V106-Y192 HydrophobicContact CG1-CE1 3.79Å
107V94.6Very high95.2Very high37 Ų3723.3 Ų23.322%0.22412%0.122CC..Hα-helixtrans-66.5-42.3176.9-177.50000109.7D82 D105 V109 Y110 N111 F134D82-V107 HydrophobicContact CB-CB 4.48Å; D82-V107 WeakPolarHBondContact OD2-CG2 3.49Å; D105-V107 VanDerWaalsContact C-N 3.28Å; D105-V107 PolarHBondContact O-N 2.78Å; D105-V107 WeakPolarHBondContact OD1-CA 3.41Å; D105-V107 WeakPolarHBondContact OD1-CB 3.49Å; D105-V107 PolarHBondContact OD1-N 3.3Å; V107-V109 VanDerWaalsContact C-N 3.29Å; V107-V109 PolarHBondContact O-N 2.59Å; V107-Y110 PolarHBondContact O-N 2.79Å; V107-N111 WeakPolarHBondContact O-CB 3.21Å; V107-N111 PolarHBondContact O-N 3.03Å; V107-F134 HydrophobicContact CG2-CE1 4.37Å; V107-F134 HydrophobicContact CG2-CZ 4.1Å
108N95.4Very high95Very high0 Ų023.6 Ų23.60%012%0.124CC..Hα-helixtrans-61.5-37.1174.5-69.2-20.4000112.7M1 G78 A79 V81 L83 V104 D105 I115 L117M1-N108 PolarHBondContact N-O 3.3Å; G78-N108 PolarHBondContact O-ND2 3.21Å; G78-N108 VanDerWaalsContact O-ND2 3.07Å; A79-N108 PolarHBondContact O-ND2 2.93Å; A79-N108 VanDerWaalsContact O-ND2 3.14Å; V81-N108 PolarHBondContact O-ND2 3.46Å; L83-N108 PolarHBondContact N-OD1 2.98Å; V104-N108 HydrophobicContact CG1-CB 4.22Å; D105-N108 HydrophobicContact CB-CB 4.41Å; D105-N108 WeakPolarHBondContact O-CB 3.38Å; D105-N108 PolarHBondContact O-N 3.32Å; D105-N108 PolarHBondContact OD1-N 3.43Å; N108-I115 HydrophobicContact CB-CG2 3.99Å; N108-L117 HydrophobicContact CB-CD2 4.42Å
109V93.9Very high94.7Very high12 Ų1223.9 Ų23.97%0.07313%0.125CC..Hα-helixtrans-65.6-52177.5174.30000110.8M1 F2 V104 D105 V106 V107 L117 V127M1-V109 WeakPolarHBondContact CA-O 3.44Å; M1-V109 PolarHBondContact N-O 3.41Å; F2-V109 HydrophobicContact CD2-CG1 4.5Å; F2-V109 HydrophobicContact CE2-CG1 3.66Å; F2-V109 HydrophobicContact CE2-CG2 4.31Å; F2-V109 HydrophobicContact CZ-CG1 4.27Å; F2-V109 HydrophobicContact CZ-CG2 4.07Å; V104-V109 HydrophobicContact CB-CG2 3.97Å; V104-V109 HydrophobicContact CG1-CG2 3.68Å; D105-V109 PolarHBondContact O-N 2.75Å; D105-V109 VanDerWaalsContact O-N 3.11Å; V106-V109 PolarHBondContact O-N 2.68Å; V107-V109 VanDerWaalsContact C-N 3.29Å; V107-V109 PolarHBondContact O-N 2.59Å; V109-L117 HydrophobicContact CG2-CD1 4.18Å; V109-V127 HydrophobicContact CB-CG1 4.47Å; V109-V127 HydrophobicContact CG1-CG1 4.06Å; V109-V127 HydrophobicContact CG2-CG1 4.42Å; V109-V127 HydrophobicContact CG2-CG2 4.37Å
110Y93.5Very high93.9Very high75 Ų7526.6 Ų26.629%0.29414%0.137SC..Hα-helixtrans-85.4-8.8-172.3-73.2-71.5000114.7V106 V107 D112 V127 P128 Y130 I133 F134V106-Y110 VanDerWaalsContact O-CD2 3.26Å; V106-Y110 WeakPolarHBondContact O-CD2 3.45Å; V106-Y110 PolarHBondContact O-N 2.66Å; V107-Y110 PolarHBondContact O-N 2.79Å; Y110-D112 PolarHBondContact O-N 3.19Å; Y110-V127 HydrophobicContact CE2-CG1 3.96Å; Y110-P128 PolarHBondContact OH-O 3.49Å; Y110-Y130 AromaticContact CD1-CD2 3.63Å; Y110-Y130 HydrophobicContact CD1-CD2 3.63Å; Y110-Y130 HydrophobicContact CD1-CG 4.41Å; Y110-Y130 HydrophobicContact CD2-CD2 4.49Å; Y110-Y130 HydrophobicContact CE1-CD2 4.03Å; Y110-Y130 HydrophobicContact CE1-CG 4.39Å; Y110-Y130 AromaticContact CG-CD2 3.88Å; Y110-Y130 HydrophobicContact CG-CD2 3.88Å; Y110-Y130 PolarHBondContact OH-N 3.19Å; Y110-I133 HydrophobicContact CD2-CD1 3.87Å; Y110-I133 HydrophobicContact CE2-CD1 3.6Å; Y110-F134 HydrophobicContact CD2-CD2 4.31Å; Y110-F134 AromaticContact CD2-CE2 3.65Å; Y110-F134 HydrophobicContact CD2-CE2 3.65Å; Y110-F134 HydrophobicContact CE2-CE2 4.47Å; Y110-F134 HydrophobicContact CG-CE2 4.02Å
111N93.9Very high92.7Very high28 Ų2832.9 Ų32.915%0.1517%0.166CC..  trans-74.2113173.8-175.8-86.9000111.4M1 L84 V107 T113 Q114 I115M1-N111 WeakPolarHBondContact CB-O 3.26Å; M1-N111 PolarHBondContact N-O 2.93Å; L84-N111 HydrophobicContact CD1-CB 4.44Å; L84-N111 VanDerWaalsContact CD1-ND2 3.32Å; L84-N111 WeakPolarHBondContact CD1-ND2 3.35Å; V107-N111 WeakPolarHBondContact O-CB 3.21Å; V107-N111 PolarHBondContact O-N 3.03Å; N111-T113 PolarHBondContact ND2-OG1 3.11Å; N111-T113 PolarHBondContact OD1-N 2.9Å; N111-T113 PolarHBondContact OD1-OG1 3.33Å; N111-Q114 PolarHBondContact OD1-N 2.79Å; N111-I115 HydrophobicContact CB-CB 4.15Å; N111-I115 HydrophobicContact CB-CG1 4.14Å; N111-I115 PolarHBondContact OD1-N 3.02Å
112D91.1Very high91.4Very high105 Ų10539.1 Ų39.156%0.56120%0.199SC*.  trans-92.1-10.8-179.8-70.5-19.8000113.9M1 Y110 K116M1-D112 WeakPolarHBondContact CB-OD1 3.42Å; M1-D112 HydrophobicContact SD-CB 4.01Å; M1-D112 VanDerWaalsContact SD-O 3.36Å; Y110-D112 PolarHBondContact O-N 3.19Å; D112-K116 PolarHBondContact O-NZ 3.25Å
113T92.7Very high90.2Very high96 Ų9640.1 Ų40.159%0.58921%0.205SC*.SBendtrans-92.3-60.8-170.351.90000112.6N111N111-T113 PolarHBondContact ND2-OG1 3.11Å; N111-T113 PolarHBondContact OD1-N 2.9Å; N111-T113 PolarHBondContact OD1-OG1 3.33Å
114Q95.8Very high89.1Confident26 Ų2646.7 Ų46.712%0.12124%0.24CC..SBendtrans-104.5-33.5-168.3-61.8-172.8-99.800112.8L84 D90 S93 F95 N111L84-Q114 HydrophobicContact CD2-CB 4.14Å; D90-Q114 PolarHBondContact O-NE2 3.12Å; S93-Q114 WeakPolarHBondContact O-CB 3.35Å; S93-Q114 WeakPolarHBondContact O-CG 3.28Å; S93-Q114 PolarHBondContact O-NE2 2.9Å; F95-Q114 PolarHBondContact N-O 3.04Å; N111-Q114 PolarHBondContact OD1-N 2.79Å
115I97.1Very high88.5Confident0 Ų047.5 Ų47.50%024%0.244CC..EExtended strand (participates in β ladder)trans-96.8120.1-174.2-54.4-57.2000111.5M1 L83 L84 F95 I97 N108 N111 L117M1-I115 PolarHBondContact N-O 3.26Å; L83-I115 HydrophobicContact CB-CD1 4.36Å; L83-I115 HydrophobicContact CD2-CD1 4.06Å; L84-I115 HydrophobicContact CD1-CG1 4.14Å; L84-I115 HydrophobicContact CD2-CD1 3.7Å; L84-I115 HydrophobicContact CD2-CG1 4.11Å; L84-I115 HydrophobicContact CG-CD1 4.01Å; L84-I115 HydrophobicContact CG-CG1 4.02Å; F95-I115 HydrophobicContact CB-CD1 3.81Å; F95-I115 HydrophobicContact CD2-CD1 3.88Å; F95-I115 HydrophobicContact CG-CD1 4.09Å; I97-I115 HydrophobicContact CD1-CD1 4.46Å; I97-I115 HydrophobicContact CD1-CG2 3.71Å; N108-I115 HydrophobicContact CB-CG2 3.99Å; N111-I115 HydrophobicContact CB-CB 4.15Å; N111-I115 HydrophobicContact CB-CG1 4.14Å; N111-I115 PolarHBondContact OD1-N 3.02Å; I115-L117 HydrophobicContact CG2-CD2 3.99Å; I115-L117 HydrophobicContact CG2-CG 4.28Å
116K96.8Very high87.9Confident44 Ų4448.8 Ų48.819%0.19126%0.263CS..EExtended strand (participates in β ladder)trans-121.4107.5178.9-52.3-61.3-177.6-173.10109.8M1 I3 I94 F95 F96 I97 D112M1-K116 HydrophobicContact CG-CD 3.88Å; M1-K116 HydrophobicContact SD-CD 4.08Å; M1-K116 PolarHBondContact SD-NZ 3.29Å; I3-K116 HydrophobicContact CD1-CB 3.76Å; I3-K116 HydrophobicContact CG1-CB 3.97Å; I94-K116 HydrophobicContact CG2-CG 4.17Å; F95-K116 PolarHBondContact O-N 3.01Å; F96-K116 CarbonylContact C-O 3.59Å; F96-K116 WeakPolarHBondContact CA-O 3.35Å; F96-K116 HydrophobicContact CD1-CB 3.55Å; F96-K116 HydrophobicContact CD1-CG 4.12Å; F96-K116 HydrophobicContact CE1-CB 3.77Å; F96-K116 HydrophobicContact CE1-CG 3.88Å; F96-K116 HydrophobicContact CG-CB 4.49Å; I97-K116 PolarHBondContact N-O 3.48Å; D112-K116 PolarHBondContact O-NZ 3.25Å
117L96.2Very high87.7Confident0 Ų050.6 Ų50.60%027%0.274CS..EExtended strand (participates in β ladder)trans-86.7117.4-175.9-59.4173.1000110.5M1 F2 I3 I97 V104 N108 V109 I115 I119M1-L117 PolarHBondContact O-N 3.01Å; F2-L117 HydrophobicContact CD1-CB 3.93Å; F2-L117 HydrophobicContact CD1-CD1 4.06Å; F2-L117 HydrophobicContact CE1-CB 4.25Å; F2-L117 HydrophobicContact CE1-CD1 3.73Å; F2-L117 HydrophobicContact CZ-CD1 3.95Å; I3-L117 PolarHBondContact N-O 3.05Å; I97-L117 HydrophobicContact CB-CD2 4Å; I97-L117 HydrophobicContact CD1-CD2 4.09Å; I97-L117 HydrophobicContact CG2-CD2 4.39Å; V104-L117 HydrophobicContact CG1-CD1 3.83Å; V104-L117 HydrophobicContact CG1-CD2 4.26Å; N108-L117 HydrophobicContact CB-CD2 4.42Å; V109-L117 HydrophobicContact CG2-CD1 4.18Å; I115-L117 HydrophobicContact CG2-CD2 3.99Å; I115-L117 HydrophobicContact CG2-CG 4.28Å; L117-I119 VanDerWaalsContact C-N 3.25Å; L117-I119 HydrophobicContact CB-CD1 4.23Å; L117-I119 HydrophobicContact CB-CG1 4.44Å; L117-I119 HydrophobicContact CD2-CD1 4.41Å; L117-I119 PolarHBondContact O-N 3.1Å
118L95.1Very high87.6Confident5 Ų549.5 Ų49.53%0.02627%0.268CS..  trans-87.662.2172.5-67.8167.3000109.7I3 I6 F10 F96 I97 C98 F206I3-L118 HydrophobicContact CD1-CD2 3.3Å; I3-L118 HydrophobicContact CD1-CG 3.68Å; I6-L118 HydrophobicContact CD1-CD2 3.77Å; I6-L118 HydrophobicContact CG1-CD2 3.64Å; F10-L118 HydrophobicContact CB-CD2 3.86Å; F10-L118 HydrophobicContact CD1-CD1 4.26Å; F10-L118 HydrophobicContact CD1-CD2 4.01Å; F10-L118 HydrophobicContact CD2-CD1 4.15Å; F10-L118 HydrophobicContact CE1-CD1 4.28Å; F10-L118 HydrophobicContact CE2-CD1 4.14Å; F10-L118 HydrophobicContact CG-CD1 4.18Å; F10-L118 HydrophobicContact CG-CD2 3.87Å; F10-L118 HydrophobicContact CZ-CD1 4.2Å; F96-L118 HydrophobicContact CB-CD1 4.09Å; I97-L118 WeakPolarHBondContact O-CB 3.49Å; I97-L118 PolarHBondContact O-N 3.14Å; C98-L118 HydrophobicContact CB-CB 3.75Å; C98-L118 HydrophobicContact CB-CD1 3.9Å; C98-L118 HydrophobicContact CB-CG 4.48Å; L118-F206 HydrophobicContact CD1-CE1 4.22Å; L118-F206 HydrophobicContact CD1-CZ 4.21Å
119I90.4Very high87.4Confident8 Ų853.1 Ų53.14%0.04129%0.29CS..  trans-123.1140.2-177.4-66.5170.4000108.6F2 V104 L117 E121 L125F2-I119 HydrophobicContact CD1-CB 4.1Å; F2-I119 HydrophobicContact CD1-CG2 4.47Å; F2-I119 HydrophobicContact CE1-CB 4.05Å; F2-I119 HydrophobicContact CE1-CD1 4.35Å; F2-I119 HydrophobicContact CE1-CG2 4.12Å; V104-I119 HydrophobicContact CG2-CD1 3.75Å; L117-I119 VanDerWaalsContact C-N 3.25Å; L117-I119 HydrophobicContact CB-CD1 4.23Å; L117-I119 HydrophobicContact CB-CG1 4.44Å; L117-I119 HydrophobicContact CD2-CD1 4.41Å; L117-I119 PolarHBondContact O-N 3.1Å; I119-E121 PolarHBondContact O-N 3.33Å; I119-L125 HydrophobicContact CG2-CD1 4.45Å
120K81.7Confident87.2Confident61 Ų6156.9 Ų56.927%0.26530%0.304SS..  trans-70.7126.7178-160.4165.3-172.4159.40110.7D122 D123 M205 E208K120-D122 HydrophobicContact CG-CB 4.44Å; K120-D122 PolarHBondContact O-N 3.19Å; K120-D123 PolarHBondContact O-N 2.79Å; K120-M205 HydrophobicContact CB-CE 4.3Å; K120-M205 HydrophobicContact CB-SD 3.94Å; K120-E208 IonicContact NZ-OE1 3.65Å; K120-E208 PolarHBondContact NZ-OE1 2.97Å; K120-E208 IonicContact NZ-OE2 2.66Å
121E69.5Low86.9Confident134 Ų13459.5 Ų59.563%0.62632%0.322SS*.THydrogen-bonded Turntrans-62.8-22.1-177.6-64-177.8170.200113.7I119 D123I119-E121 PolarHBondContact O-N 3.33Å; E121-D123 VanDerWaalsContact C-N 3.26Å; E121-D123 PolarHBondContact O-N 3.1Å
122D67.9Low86.7Confident138 Ų13861.3 Ų61.374%0.73833%0.332SS*.THydrogen-bonded Turntrans-73.2-11.8179.6-63.5-35.5000114K120 D124K120-D122 HydrophobicContact CG-CB 4.44Å; K120-D122 PolarHBondContact O-N 3.19Å; D122-D124 PolarHBondContact O-N 2.86Å
123D69.9Low86.6Confident28 Ų2856.4 Ų56.415%0.1531%0.306CS..SBendtrans-67.9122.5171.9-80-18.2000107.5R102 K120 E121 L125 T200 K241R102-D123 IonicContact NH2-OD2 3.97Å; K120-D123 PolarHBondContact O-N 2.79Å; E121-D123 VanDerWaalsContact C-N 3.26Å; E121-D123 PolarHBondContact O-N 3.1Å; D123-L125 VanDerWaalsContact C-N 3.3Å; D123-L125 HydrophobicContact CB-CD2 3.75Å; D123-L125 HydrophobicContact CB-CG 4.3Å; D123-L125 WeakPolarHBondContact O-CG 3.46Å; D123-L125 PolarHBondContact O-N 3.41Å; D123-T200 PolarHBondContact OD1-OG1 3.25Å; D123-T200 PolarHBondContact OD2-N 3.23Å; D123-T200 PolarHBondContact OD2-OG1 3.18Å; D123-K241 IonicContact OD1-NZ 3.32Å; D123-K241 PolarHBondContact OD1-NZ 3.36Å
124D71.4Confident86.3Confident153 Ų15354.3 Ų54.382%0.81829%0.289SS*.  trans-69.788.8173.7-178.713.7000109.3D122 G126D122-D124 PolarHBondContact O-N 2.86Å; D124-G126 VanDerWaalsContact C-N 3.34Å
125L81.3Confident85.7Confident18 Ų1857 Ų579%0.09430%0.298CS..  trans-78.9-16.6-171.8-63-177.7000113.3F2 R102 I119 D123 V127 Y192F2-L125 HydrophobicContact CE1-CD1 3.45Å; F2-L125 VanDerWaalsContact CE1-CD1 3.45Å; F2-L125 HydrophobicContact CE2-CD1 4.19Å; F2-L125 HydrophobicContact CZ-CD1 3.2Å; R102-L125 VanDerWaalsContact NE-CD2 3.25Å; I119-L125 HydrophobicContact CG2-CD1 4.45Å; D123-L125 VanDerWaalsContact C-N 3.3Å; D123-L125 HydrophobicContact CB-CD2 3.75Å; D123-L125 HydrophobicContact CB-CG 4.3Å; D123-L125 WeakPolarHBondContact O-CG 3.46Å; D123-L125 PolarHBondContact O-N 3.41Å; L125-V127 HydrophobicContact CB-CG2 3.73Å; L125-V127 HydrophobicContact CD1-CG2 4.49Å; L125-V127 PolarHBondContact O-N 2.93Å; L125-Y192 WeakPolarHBondContact O-CE2 3.44Å
126G84.1Confident84.5Confident52 Ų5261.8 Ų61.854%0.53632%0.324SS..  trans57.231-179.500000114.6D124 Y192D124-G126 VanDerWaalsContact C-N 3.34Å; G126-Y192 VanDerWaalsContact O-CD2 3.3Å; G126-Y192 WeakPolarHBondContact O-CD2 3.49Å; G126-Y192 WeakPolarHBondContact O-CE2 3.31Å
127V89.4Confident82.6Confident42 Ų4267.1 Ų67.126%0.25535%0.349SS..PPolyproline II helixtrans-64.5129.6-176.4-172.80000110.3V109 Y110 L125V109-V127 HydrophobicContact CB-CG1 4.47Å; V109-V127 HydrophobicContact CG1-CG1 4.06Å; V109-V127 HydrophobicContact CG2-CG1 4.42Å; V109-V127 HydrophobicContact CG2-CG2 4.37Å; Y110-V127 HydrophobicContact CE2-CG1 3.96Å; L125-V127 HydrophobicContact CB-CG2 3.73Å; L125-V127 HydrophobicContact CD1-CG2 4.49Å; L125-V127 PolarHBondContact O-N 2.93Å
128P92.3Very high80.3Confident14 Ų1474 Ų749%0.09139%0.386CS..PPolyproline II helixtrans-59.1154.1173.3-25.335.7000112.7V106 Y110 I133 I188 Y192V106-P128 HydrophobicContact CG1-CG 4.5Å; Y110-P128 PolarHBondContact OH-O 3.49Å; P128-I133 HydrophobicContact CB-CG2 3.89Å; P128-I188 HydrophobicContact CB-CG2 3.58Å; P128-I188 HydrophobicContact CG-CG2 3.71Å; P128-Y192 HydrophobicContact CG-CD1 4.33Å; P128-Y192 HydrophobicContact CG-CD2 4.12Å; P128-Y192 HydrophobicContact CG-CG 3.89Å
129T91.3Very high78.1Confident76 Ų7679.7 Ų79.747%0.46641%0.412SS..PPolyproline II helixtrans-73.5147.6178.778.50000111.8D131 D132 I133T129-D131 VanDerWaalsContact C-N 3.33Å; T129-D131 PolarHBondContact O-N 2.84Å; T129-D132 WeakPolarHBondContact O-CB 3.38Å; T129-D132 PolarHBondContact O-N 2.8Å; T129-D132 VanDerWaalsContact O-N 3.09Å; T129-D132 VanDerWaalsContact OG1-CG 3.25Å; T129-D132 PolarHBondContact OG1-OD2 3.25Å; T129-I133 WeakPolarHBondContact O-CG1 3.37Å
130Y89.6Confident76.1Confident92 Ų9283.8 Ų83.836%0.36143%0.431SS..Hα-helixtrans-52.6-47.8-176.9-176.8-92.7000112.6Y110 D132 I133 F134Y110-Y130 AromaticContact CD1-CD2 3.63Å; Y110-Y130 HydrophobicContact CD1-CD2 3.63Å; Y110-Y130 HydrophobicContact CD1-CG 4.41Å; Y110-Y130 HydrophobicContact CD2-CD2 4.49Å; Y110-Y130 HydrophobicContact CE1-CD2 4.03Å; Y110-Y130 HydrophobicContact CE1-CG 4.39Å; Y110-Y130 AromaticContact CG-CD2 3.88Å; Y110-Y130 HydrophobicContact CG-CD2 3.88Å; Y110-Y130 PolarHBondContact OH-N 3.19Å; Y130-D132 PolarHBondContact O-N 3.44Å; Y130-D132 VanDerWaalsContact O-N 3.15Å; Y130-I133 WeakPolarHBondContact O-CG1 3.37Å; Y130-I133 PolarHBondContact O-N 2.87Å; Y130-F134 HydrophobicContact CD1-CB 4.22Å; Y130-F134 HydrophobicContact CD2-CB 4.07Å; Y130-F134 AromaticContact CD2-CD2 3.4Å; Y130-F134 HydrophobicContact CD2-CD2 3.4Å; Y130-F134 HydrophobicContact CD2-CE2 4.21Å; Y130-F134 HydrophobicContact CD2-CG 4.08Å; Y130-F134 HydrophobicContact CE1-CB 3.82Å; Y130-F134 HydrophobicContact CE2-CB 3.65Å; Y130-F134 AromaticContact CE2-CD2 3.42Å; Y130-F134 HydrophobicContact CE2-CD2 3.42Å; Y130-F134 VanDerWaalsContact CE2-CD2 3.42Å; Y130-F134 HydrophobicContact CE2-CE2 4.27Å; Y130-F134 AromaticContact CE2-CG 3.7Å; Y130-F134 HydrophobicContact CE2-CG 3.7Å; Y130-F134 HydrophobicContact CG-CB 4.34Å; Y130-F134 HydrophobicContact CG-CD2 4.17Å; Y130-F134 PolarHBondContact O-N 3.49Å
131D87.9Confident74.3Confident129 Ų12989.1 Ų89.169%0.6946%0.457SS*.Hα-helixtrans-63.3-22.5-176.8-58.9-15.5000113.6T129 W181T129-D131 VanDerWaalsContact C-N 3.33Å; T129-D131 PolarHBondContact O-N 2.84Å; D131-W181 PolarHBondContact O-NE1 3.37Å; D131-W181 VanDerWaalsContact O-NE1 3.07Å
132D88.5Confident73.2Confident66 Ų6690.5 Ų90.535%0.35346%0.464SS..Hα-helixtrans-81.6-22.2178.4-69.1-40.9000112.7T129 Y130 I188T129-D132 WeakPolarHBondContact O-CB 3.38Å; T129-D132 PolarHBondContact O-N 2.8Å; T129-D132 VanDerWaalsContact O-N 3.09Å; T129-D132 VanDerWaalsContact OG1-CG 3.25Å; T129-D132 PolarHBondContact OG1-OD2 3.25Å; Y130-D132 PolarHBondContact O-N 3.44Å; Y130-D132 VanDerWaalsContact O-N 3.15Å; D132-I188 HydrophobicContact CB-CD1 3.76Å
133I89.1Confident72.2Confident2 Ų286 Ų861%0.0145%0.45CS..Hα-helixtrans-121.1-25.6-170.956.3166.5000114.3V106 Y110 P128 T129 Y130 R185 I188 L189V106-I133 HydrophobicContact CB-CD1 3.67Å; V106-I133 HydrophobicContact CG1-CD1 3.92Å; V106-I133 HydrophobicContact CG2-CD1 4.03Å; Y110-I133 HydrophobicContact CD2-CD1 3.87Å; Y110-I133 HydrophobicContact CE2-CD1 3.6Å; P128-I133 HydrophobicContact CB-CG2 3.89Å; T129-I133 WeakPolarHBondContact O-CG1 3.37Å; Y130-I133 WeakPolarHBondContact O-CG1 3.37Å; Y130-I133 PolarHBondContact O-N 2.87Å; I133-R185 WeakPolarHBondContact O-CD 3.44Å; I133-R185 PolarHBondContact O-NE 2.83Å; I133-I188 HydrophobicContact CG2-CG2 4.39Å; I133-L189 HydrophobicContact CG2-CD2 3.92Å; I133-L189 HydrophobicContact CG2-CG 4.24Å
134F88.1Confident71.1Confident53 Ų5393.5 Ų93.523%0.23248%0.484CS..  trans-119.6150.2176.5-63.4-71.6000110.1V106 V107 Y110 Y130V106-F134 HydrophobicContact CG2-CZ 4.31Å; V107-F134 HydrophobicContact CG2-CE1 4.37Å; V107-F134 HydrophobicContact CG2-CZ 4.1Å; Y110-F134 HydrophobicContact CD2-CD2 4.31Å; Y110-F134 AromaticContact CD2-CE2 3.65Å; Y110-F134 HydrophobicContact CD2-CE2 3.65Å; Y110-F134 HydrophobicContact CE2-CE2 4.47Å; Y110-F134 HydrophobicContact CG-CE2 4.02Å; Y130-F134 HydrophobicContact CD1-CB 4.22Å; Y130-F134 HydrophobicContact CD2-CB 4.07Å; Y130-F134 AromaticContact CD2-CD2 3.4Å; Y130-F134 HydrophobicContact CD2-CD2 3.4Å; Y130-F134 HydrophobicContact CD2-CE2 4.21Å; Y130-F134 HydrophobicContact CD2-CG 4.08Å; Y130-F134 HydrophobicContact CE1-CB 3.82Å; Y130-F134 HydrophobicContact CE2-CB 3.65Å; Y130-F134 AromaticContact CE2-CD2 3.42Å; Y130-F134 HydrophobicContact CE2-CD2 3.42Å; Y130-F134 VanDerWaalsContact CE2-CD2 3.42Å; Y130-F134 HydrophobicContact CE2-CE2 4.27Å; Y130-F134 AromaticContact CE2-CG 3.7Å; Y130-F134 HydrophobicContact CE2-CG 3.7Å; Y130-F134 HydrophobicContact CG-CB 4.34Å; Y130-F134 HydrophobicContact CG-CD2 4.17Å; Y130-F134 PolarHBondContact O-N 3.49Å
135R81.4Confident69.7Low81 Ų8189.6 Ų89.631%0.30648%0.48SS..  trans-135.7136.9176.1-170.4177.9-175.3-173.8-1.1107.9E137 E139 W181R135-E137 PolarHBondContact O-N 2.82Å; R135-E139 IonicContact CZ-OE2 3.33Å; R135-E139 IonicContact NE-OE2 3.53Å; R135-E139 PolarHBondContact NE-OE2 2.73Å; R135-E139 IonicContact NH2-OE2 2.92Å; R135-E139 PolarHBondContact NH2-OE2 3.14Å; R135-W181 HydrophobicContact CB-CH2 4.08Å; R135-W181 HydrophobicContact CB-CZ2 4.04Å
136D73.7Confident68.1Low102 Ų10294.9 Ų94.955%0.54552%0.519SS..  trans-64.9123.1179.2-62-30.3000109.9D138 E139D136-D138 PolarHBondContact O-N 3Å; D136-D138 VanDerWaalsContact O-N 3.1Å; D136-E139 PolarHBondContact O-N 3.07Å; D136-E139 VanDerWaalsContact O-N 3.15Å
137E55.1Low66.3Low155 Ų15596 Ų9672%0.72453%0.529SS*.G310 helixtrans-60.2-18.9-178.4-66.6-178.1167.200112.7R135 E139 E140R135-E137 PolarHBondContact O-N 2.82Å; E137-E139 PolarHBondContact O-N 3.33Å; E137-E139 VanDerWaalsContact O-N 3.14Å; E137-E140 WeakPolarHBondContact O-CB 3.45Å; E137-E140 PolarHBondContact O-N 2.9Å
138D47.9Very low64.2Low145 Ų145101.1 Ų101.178%0.77556%0.556SS**G310 helixtrans-61.4-19.5175.3-68.9-26.9000113.3D136D136-D138 PolarHBondContact O-N 3Å; D136-D138 VanDerWaalsContact O-N 3.1Å
139E49.6Very low61.7Low125 Ų125109.7 Ų109.758%0.58459%0.594SS**G310 helixtrans-85.6-9.9171.8-67.4-164.6156.400113.9R135 D136 E137R135-E139 IonicContact CZ-OE2 3.33Å; R135-E139 IonicContact NE-OE2 3.53Å; R135-E139 PolarHBondContact NE-OE2 2.73Å; R135-E139 IonicContact NH2-OE2 2.92Å; R135-E139 PolarHBondContact NH2-OE2 3.14Å; D136-E139 PolarHBondContact O-N 3.07Å; D136-E139 VanDerWaalsContact O-N 3.15Å; E137-E139 PolarHBondContact O-N 3.33Å; E137-E139 VanDerWaalsContact O-N 3.14Å
140E48.8Very low59.3Low93 Ų93111.1 Ų111.144%0.43561%0.607SS.*THydrogen-bonded Turntrans-91.6-36.7-174.9-57.8-147.913100113E137 K178E137-E140 WeakPolarHBondContact O-CB 3.45Å; E137-E140 PolarHBondContact O-N 2.9Å; E140-K178 IonicContact OE1-NZ 3.84Å; E140-K178 PolarHBondContact OE1-NZ 3.11Å
141E44.7Very low56.8Low173 Ų173114.2 Ų114.281%0.80863%0.63SS**G310 helixtrans-77.5-22.7-176.4-69.6-161.4157.800114.5G143E141-G143 PolarHBondContact O-N 3.06Å; E141-G143 VanDerWaalsContact O-N 3.13Å
142E45.2Very low54.8Low164 Ų164117.4 Ų117.477%0.76664%0.641SS**G310 helixtrans-72.3-3.9177.4-69.9-160.7162.700113.7
143G47.4Very low52.6Low44 Ų44117.4 Ų117.445%0.45466%0.657SS.*G310 helixtrans-96.9-18.4-174.100000116.7E141E141-G143 PolarHBondContact O-N 3.06Å; E141-G143 VanDerWaalsContact O-N 3.13Å
144E46.3Very low50.2Low185 Ų185123 Ų12386%0.86470%0.697SS**THydrogen-bonded Turntrans-113.1-7-174.1-63.8-151.2154.500114.5
145G43.2Very low47.8Very low71 Ų71129.4 Ų129.473%0.73273%0.727SS**SBendtrans-106.455-173.100000116.7
146S47.2Very low46.1Very low129 Ų129131.8 Ų131.890%0.90275%0.753SS**SBendtrans-162.994.6155.1-159.70000112.4
147G45.7Very low44.6Very low74 Ų74132 Ų13276%0.76376%0.762SS**SBendtrans175.91.8171.400000118.5
148N45.7Very low44.3Very low151 Ų151128.6 Ų128.681%0.80777%0.769SS**  trans-150.872.7178-133.729.9000113.4
149E39.1Very low44Very low193 Ų193130.6 Ų130.690%0.90277%0.771SS**  trans-104.696.8144-71.3-155.6171.100107.5D151E149-D151 PolarHBondContact O-N 2.82Å
150S41.5Very low43.9Very low106 Ų106136.8 Ų136.874%0.74179%0.789SS**  trans-69.1101.4157.947.60000107.7
151D37.7Very low44Very low157 Ų157143.3 Ų143.384%0.8481%0.809SS**  trans-104.9124.9158.6-157.38.9000108.7E149 G153E149-D151 PolarHBondContact O-N 2.82Å; D151-G153 PolarHBondContact O-N 2.9Å
152E44.9Very low44.4Very low196 Ų196146.7 Ų146.792%0.91682%0.815SS**  trans-70.6120.4-175.2-72.7-174.7145.400110.3
153G41.7Very low44.8Very low67 Ų67147 Ų14769%0.69181%0.814SS**  trans130.8122.7151.800000116.2D151D151-G153 PolarHBondContact O-N 2.9Å
154S38.5Very low45.6Very low120 Ų120149.5 Ų149.584%0.83982%0.817SS**  trans109.896.6150.5-37.60000117.9
155E37.8Very low46.3Very low186 Ų186148.5 Ų148.587%0.86981%0.812SS**  trans75.7136.2145.6-61.1-157.1159.400122.9S157E155-S157 PolarHBondContact O-N 3.45Å
156P47.3Very low47.7Very low131 Ų131146.4 Ų146.485%0.85179%0.791SS**  trans-90.293.2-177.436.1-29.9000110.8
157S40.8Very low48.9Very low106 Ų106142.3 Ų142.374%0.74177%0.765SS**  trans-94.4111.6165.383.40000110.6E155 K159E155-S157 PolarHBondContact O-N 3.45Å; S157-K159 PolarHBondContact O-N 3.01Å
158G48.7Very low50.1Low84 Ų84142.7 Ų142.787%0.86675%0.748SS**  trans-64.799.7177.800000112.1
159K42.7Very low51.4Low188 Ų188142.1 Ų142.182%0.81774%0.741SS**  trans-129.2114.8155.9-78.4-177.6179.1173.90108S157 R161S157-K159 PolarHBondContact O-N 3.01Å; K159-R161 PolarHBondContact O-N 2.79Å
160R46.3Very low53.3Low254 Ų254139.6 Ų139.696%0.95872%0.723SS**  trans-50.7106.8170.4-80174.9170.7162.1-4.1108.3R162R160-R162 PolarHBondContact O-N 2.79Å
161R52.2Low55.1Low230 Ų230141.9 Ų141.987%0.86872%0.715SS**  trans-57.9109164-78.7180172.5175.4-2.9106.1K159 F163K159-R161 PolarHBondContact O-N 2.79Å; R161-F163 PolarHBondContact O-N 3.21Å
162R52.4Low57.1Low244 Ų244139.2 Ų139.292%0.92170%0.7SS**  trans-58.7108.7163.4-108.3179.7170.5176.5-4.2105.1R160 D164R160-R162 PolarHBondContact O-N 2.79Å; R162-D164 PolarHBondContact O-N 2.85Å; R162-D164 VanDerWaalsContact O-N 3.15Å
163F54.3Low58.9Low172 Ų172136.3 Ų136.375%0.75469%0.687SS**  trans-56.3117165.5-93.9-103000106.4R161 E165 I168R161-F163 PolarHBondContact O-N 3.21Å; F163-E165 VanDerWaalsContact C-N 3.27Å; F163-E165 PolarHBondContact O-N 3.44Å; F163-I168 HydrophobicContact CD1-CD1 3.94Å
164D62.7Low60.9Low95 Ų95140.7 Ų140.751%0.50868%0.682SS.*  trans-73.887.2175.5-174.412.8000107.8R162 G166 A167 I168 R170R162-D164 PolarHBondContact O-N 2.85Å; R162-D164 VanDerWaalsContact O-N 3.15Å; D164-G166 PolarHBondContact O-N 2.58Å; D164-G166 VanDerWaalsContact O-N 3.14Å; D164-G166 PolarHBondContact OD1-N 2.94Å; D164-A167 HydrophobicContact CB-CB 3.98Å; D164-A167 PolarHBondContact O-N 3.17Å; D164-A167 WeakPolarHBondContact OD2-CB 3.21Å; D164-I168 PolarHBondContact O-N 3.48Å; D164-R170 IonicContact OD2-NH2 3.01Å
165E62.7Low63.1Low164 Ų164139.3 Ų139.377%0.76666%0.663SS**Hα-helixtrans-50.1-34.2175.9-80.3177.8157.100111.2F163 A167 I168 E169F163-E165 VanDerWaalsContact C-N 3.27Å; F163-E165 PolarHBondContact O-N 3.44Å; E165-A167 PolarHBondContact O-N 2.89Å; E165-I168 PolarHBondContact O-N 3.33Å; E165-E169 WeakPolarHBondContact O-CB 3.47Å; E165-E169 PolarHBondContact O-N 3.26Å
166G71.8Confident65.4Low28 Ų28138.5 Ų138.529%0.28965%0.651SS.*Hα-helixtrans-72-24177.700000114.7D164 R170D164-G166 PolarHBondContact O-N 2.58Å; D164-G166 VanDerWaalsContact O-N 3.14Å; D164-G166 PolarHBondContact OD1-N 2.94Å; G166-R170 WeakPolarHBondContact O-CB 3.43Å; G166-R170 VanDerWaalsContact O-CG 3.26Å; G166-R170 WeakPolarHBondContact O-CG 3.24Å; G166-R170 PolarHBondContact O-N 3.2Å; G166-R170 PolarHBondContact O-NE 3.5Å
167A71.6Confident67.3Low42 Ų42134.4 Ų134.435%0.34763%0.629SS.*Hα-helixtrans-76.2-36.817100000111.5D164 E165 R171D164-A167 HydrophobicContact CB-CB 3.98Å; D164-A167 PolarHBondContact O-N 3.17Å; D164-A167 WeakPolarHBondContact OD2-CB 3.21Å; E165-A167 PolarHBondContact O-N 2.89Å; A167-R171 WeakPolarHBondContact O-CB 3.27Å; A167-R171 PolarHBondContact O-N 3.36Å; A167-R171 VanDerWaalsContact O-N 3.08Å
168I71.2Confident69.5Low83 Ų83132.8 Ų132.843%0.42661%0.609SS.*Hα-helixtrans-68.8-43.4176.5-64.6171.8000110.3F163 D164 E165 R171 I172F163-I168 HydrophobicContact CD1-CD1 3.94Å; D164-I168 PolarHBondContact O-N 3.48Å; E165-I168 PolarHBondContact O-N 3.33Å; I168-R171 PolarHBondContact O-N 3.19Å; I168-I172 HydrophobicContact CG2-CD1 3.79Å; I168-I172 HydrophobicContact CG2-CG1 4.46Å; I168-I172 VanDerWaalsContact O-CG1 3.29Å; I168-I172 WeakPolarHBondContact O-CG1 3.36Å; I168-I172 PolarHBondContact O-N 2.89Å
169E74.4Confident71.4Confident138 Ų138137.1 Ų137.165%0.64560%0.599SS**Hα-helixtrans-62.5-45.2177.7-167.7168.4-156.900111.9E165 R171 I172 E173E165-E169 WeakPolarHBondContact O-CB 3.47Å; E165-E169 PolarHBondContact O-N 3.26Å; E169-R171 VanDerWaalsContact C-N 3.32Å; E169-R171 PolarHBondContact O-N 2.95Å; E169-I172 PolarHBondContact O-N 2.93Å; E169-E173 WeakPolarHBondContact O-CB 3.48Å; E169-E173 PolarHBondContact O-N 3.26Å
170R78.8Confident73.7Confident141 Ų141132.7 Ų132.753%0.53258%0.581SS.*Hα-helixtrans-60.6-38.1173.3-76.7-179-71.6171.2-1.6112.8D164 G166 R174D164-R170 IonicContact OD2-NH2 3.01Å; G166-R170 WeakPolarHBondContact O-CB 3.43Å; G166-R170 VanDerWaalsContact O-CG 3.26Å; G166-R170 WeakPolarHBondContact O-CG 3.24Å; G166-R170 PolarHBondContact O-N 3.2Å; G166-R170 PolarHBondContact O-NE 3.5Å; R170-R174 WeakPolarHBondContact O-CB 3.3Å; R170-R174 VanDerWaalsContact O-CG 3.3Å; R170-R174 WeakPolarHBondContact O-CG 3.34Å; R170-R174 PolarHBondContact O-N 3.2Å
171R78.4Confident75.8Confident154 Ų154123 Ų12358%0.58154%0.544SS*.Hα-helixtrans-66.5-42.2176-169.6177.6-173.7178.13.9111.7A167 I168 E169 R174 Q175A167-R171 WeakPolarHBondContact O-CB 3.27Å; A167-R171 PolarHBondContact O-N 3.36Å; A167-R171 VanDerWaalsContact O-N 3.08Å; I168-R171 PolarHBondContact O-N 3.19Å; E169-R171 VanDerWaalsContact C-N 3.32Å; E169-R171 PolarHBondContact O-N 2.95Å; R171-R174 PolarHBondContact O-N 3.46Å; R171-Q175 WeakPolarHBondContact O-CB 3.36Å; R171-Q175 WeakPolarHBondContact O-CG 3.5Å; R171-Q175 PolarHBondContact O-N 3.46Å
172I80.9Confident77.6Confident101 Ų101115.7 Ų115.752%0.51852%0.52SS..Hα-helixtrans-65.6-41.7177-68.3166.5000110.7I168 E169 Q175 R176I168-I172 HydrophobicContact CG2-CD1 3.79Å; I168-I172 HydrophobicContact CG2-CG1 4.46Å; I168-I172 VanDerWaalsContact O-CG1 3.29Å; I168-I172 WeakPolarHBondContact O-CG1 3.36Å; I168-I172 PolarHBondContact O-N 2.89Å; E169-I172 PolarHBondContact O-N 2.93Å; I172-Q175 PolarHBondContact O-N 3.4Å; I172-R176 WeakPolarHBondContact O-CB 3.44Å; I172-R176 PolarHBondContact O-N 2.94Å
173E82.5Confident79.5Confident135 Ų135106.1 Ų106.163%0.63149%0.493SS*.Hα-helixtrans-63.7-44.7177.4-171.5166.7-137.100111.8E169 Q175 R176 A177E169-E173 WeakPolarHBondContact O-CB 3.48Å; E169-E173 PolarHBondContact O-N 3.26Å; E173-Q175 PolarHBondContact O-N 3.46Å; E173-R176 PolarHBondContact O-N 3.05Å; E173-A177 WeakPolarHBondContact O-CB 3.38Å; E173-A177 PolarHBondContact O-N 3.29Å
174R83.4Confident81.2Confident159 Ų159104.6 Ų104.660%0.648%0.483SS*.Hα-helixtrans-60.3-44.2173.4-74.1175.7-178.2-174.4-3.2112.5R170 R171 R176 A177 K178R170-R174 WeakPolarHBondContact O-CB 3.3Å; R170-R174 VanDerWaalsContact O-CG 3.3Å; R170-R174 WeakPolarHBondContact O-CG 3.34Å; R170-R174 PolarHBondContact O-N 3.2Å; R171-R174 PolarHBondContact O-N 3.46Å; R174-R176 VanDerWaalsContact C-N 3.34Å; R174-R176 PolarHBondContact O-N 2.86Å; R174-A177 PolarHBondContact O-N 3.38Å; R174-K178 WeakPolarHBondContact O-CB 3.41Å; R174-K178 PolarHBondContact O-N 3.5Å
175Q84.1Confident82.6Confident91 Ų91103.9 Ų103.943%0.42547%0.473SS..Hα-helixtrans-64.7-38.1176.4-76.4-179-10.600112.2R171 I172 E173 K178 R179R171-Q175 WeakPolarHBondContact O-CB 3.36Å; R171-Q175 WeakPolarHBondContact O-CG 3.5Å; R171-Q175 PolarHBondContact O-N 3.46Å; I172-Q175 PolarHBondContact O-N 3.4Å; E173-Q175 PolarHBondContact O-N 3.46Å; Q175-K178 PolarHBondContact O-N 3.43Å; Q175-R179 WeakPolarHBondContact O-CG 3.4Å; Q175-R179 PolarHBondContact O-N 3.23Å
176R86.3Confident84Confident168 Ų168104.2 Ų104.263%0.63447%0.467SS*.Hα-helixtrans-65.7-44.2175.4-173.2179.8-176.9176.92.2111.1I172 E173 R174 R179 Q180I172-R176 WeakPolarHBondContact O-CB 3.44Å; I172-R176 PolarHBondContact O-N 2.94Å; E173-R176 PolarHBondContact O-N 3.05Å; R174-R176 VanDerWaalsContact C-N 3.34Å; R174-R176 PolarHBondContact O-N 2.86Å; R176-R179 PolarHBondContact O-N 3.24Å; R176-Q180 WeakPolarHBondContact O-CB 3.14Å; R176-Q180 VanDerWaalsContact O-CG 3.29Å; R176-Q180 WeakPolarHBondContact O-CG 3.43Å; R176-Q180 PolarHBondContact O-N 3.11Å
177A87.1Confident85Confident46 Ų46108.9 Ų108.938%0.3848%0.481SS..Hα-helixtrans-60.8-44.1174.800000111.4E173 R174 Q180 W181E173-A177 WeakPolarHBondContact O-CB 3.38Å; E173-A177 PolarHBondContact O-N 3.29Å; R174-A177 PolarHBondContact O-N 3.38Å; A177-Q180 PolarHBondContact O-N 3.21Å; A177-W181 WeakPolarHBondContact O-CB 3.47Å; A177-W181 PolarHBondContact O-N 2.79Å
178K86.9Confident86Confident72 Ų72109.2 Ų109.231%0.31348%0.477SS..Hα-helixtrans-58.1-50.3175.1-175.6167.7-177.5158.40111.6E140 R174 Q175 Q180 W181 E182E140-K178 IonicContact OE1-NZ 3.84Å; E140-K178 PolarHBondContact OE1-NZ 3.11Å; R174-K178 WeakPolarHBondContact O-CB 3.41Å; R174-K178 PolarHBondContact O-N 3.5Å; Q175-K178 PolarHBondContact O-N 3.43Å; K178-Q180 VanDerWaalsContact C-N 3.33Å; K178-Q180 PolarHBondContact O-N 3.43Å; K178-W181 PolarHBondContact O-N 3.36Å; K178-E182 WeakPolarHBondContact CE-OE1 3.22Å; K178-E182 HydrophobicContact CG-CG 4.46Å; K178-E182 WeakPolarHBondContact CG-OE1 3.28Å; K178-E182 WeakPolarHBondContact O-CG 3.46Å; K178-E182 PolarHBondContact O-N 3.36Å
179R88.6Confident87Confident174 Ų174106.2 Ų106.266%0.65746%0.461SS*.Hα-helixtrans-61.9-38.2177.6-71.9176.7-175.7171.83.6113.1Q175 R176 A183Q175-R179 WeakPolarHBondContact O-CG 3.4Å; Q175-R179 PolarHBondContact O-N 3.23Å; R176-R179 PolarHBondContact O-N 3.24Å; R179-A183 WeakPolarHBondContact O-CB 3.31Å; R179-A183 PolarHBondContact O-N 3.04Å
180Q89.9Confident87.7Confident95 Ų95103.4 Ų103.444%0.44445%0.447SS..Hα-helixtrans-68.2-40.1176.6-76175.9-12.500111.5R176 A177 K178 A183 R184R176-Q180 WeakPolarHBondContact O-CB 3.14Å; R176-Q180 VanDerWaalsContact O-CG 3.29Å; R176-Q180 WeakPolarHBondContact O-CG 3.43Å; R176-Q180 PolarHBondContact O-N 3.11Å; A177-Q180 PolarHBondContact O-N 3.21Å; K178-Q180 VanDerWaalsContact C-N 3.33Å; K178-Q180 PolarHBondContact O-N 3.43Å; Q180-A183 PolarHBondContact O-N 3.41Å; Q180-R184 WeakPolarHBondContact O-CG 3.37Å; Q180-R184 PolarHBondContact O-N 2.94Å
181W90.6Very high88.3Confident50 Ų50101.1 Ų101.119%0.18945%0.445CS..Hα-helixtrans-64.8-48.5174.3-178.191.3000111.4D131 R135 A177 K178 A183 R184 R185D131-W181 PolarHBondContact O-NE1 3.37Å; D131-W181 VanDerWaalsContact O-NE1 3.07Å; R135-W181 HydrophobicContact CB-CH2 4.08Å; R135-W181 HydrophobicContact CB-CZ2 4.04Å; A177-W181 WeakPolarHBondContact O-CB 3.47Å; A177-W181 PolarHBondContact O-N 2.79Å; K178-W181 PolarHBondContact O-N 3.36Å; W181-A183 VanDerWaalsContact C-N 3.26Å; W181-A183 PolarHBondContact O-N 2.92Å; W181-R184 PolarHBondContact O-N 3.24Å; W181-R184 VanDerWaalsContact O-N 3.12Å; W181-R185 VanDerWaalsContact CH2-CD 3.42Å; W181-R185 WeakPolarHBondContact O-CB 3.22Å; W181-R185 PolarHBondContact O-N 3.02Å
182E90.6Very high89Confident77 Ų7795 Ų9536%0.3642%0.423SS..Hα-helixtrans-59.8-34.5176.1-72.6169.3-176.300113K178 R186K178-E182 WeakPolarHBondContact CE-OE1 3.22Å; K178-E182 HydrophobicContact CG-CG 4.46Å; K178-E182 WeakPolarHBondContact CG-OE1 3.28Å; K178-E182 WeakPolarHBondContact O-CG 3.46Å; K178-E182 PolarHBondContact O-N 3.36Å; E182-R186 WeakPolarHBondContact O-CG 3.23Å; E182-R186 PolarHBondContact O-N 3.11Å; E182-R186 PolarHBondContact O-NE 3.26Å
183A91.4Very high89.5Confident44 Ų4491.9 Ų91.936%0.36441%0.406SS..Hα-helixtrans-68.2-47.6174.100000111.6R179 Q180 W181 R186 E187R179-A183 WeakPolarHBondContact O-CB 3.31Å; R179-A183 PolarHBondContact O-N 3.04Å; Q180-A183 PolarHBondContact O-N 3.41Å; W181-A183 VanDerWaalsContact C-N 3.26Å; W181-A183 PolarHBondContact O-N 2.92Å; A183-R186 PolarHBondContact O-N 3.49Å; A183-E187 PolarHBondContact O-N 3.48Å
184R91.8Very high89.9Confident139 Ų13988.3 Ų88.353%0.52539%0.389SS..Hα-helixtrans-63.3-44.7176.9-73.8-176.3-62.9-161.93.9112.1Q180 W181 R186 E187 I188Q180-R184 WeakPolarHBondContact O-CG 3.37Å; Q180-R184 PolarHBondContact O-N 2.94Å; W181-R184 PolarHBondContact O-N 3.24Å; W181-R184 VanDerWaalsContact O-N 3.12Å; R184-R186 VanDerWaalsContact C-N 3.29Å; R184-R186 PolarHBondContact O-N 3.02Å; R184-E187 WeakPolarHBondContact O-CB 3.28Å; R184-E187 PolarHBondContact O-N 3.08Å; R184-E187 VanDerWaalsContact O-N 3.11Å; R184-I188 VanDerWaalsContact O-CG1 3.31Å; R184-I188 WeakPolarHBondContact O-CG1 3.42Å; R184-I188 PolarHBondContact O-N 3.22Å
185R92.4Very high90.3Very high81 Ų8185 Ų8531%0.30638%0.377SS..Hα-helixtrans-54.6-45.4175.8177.5177.4-178.2-76-1.3111.6I133 W181 E187 I188 L189I133-R185 WeakPolarHBondContact O-CD 3.44Å; I133-R185 PolarHBondContact O-NE 2.83Å; W181-R185 VanDerWaalsContact CH2-CD 3.42Å; W181-R185 WeakPolarHBondContact O-CB 3.22Å; W181-R185 PolarHBondContact O-N 3.02Å; R185-E187 VanDerWaalsContact C-N 3.34Å; R185-E187 PolarHBondContact O-N 3.32Å; R185-I188 PolarHBondContact O-N 2.97Å; R185-L189 HydrophobicContact CG-CD1 3.92Å; R185-L189 HydrophobicContact CG-CG 4.39Å; R185-L189 VanDerWaalsContact CZ-CD1 3.48Å; R185-L189 WeakPolarHBondContact O-CB 3.3Å; R185-L189 WeakPolarHBondContact O-CG 3.46Å; R185-L189 PolarHBondContact O-N 3.28Å
186R90.8Very high90.7Very high171 Ų17181.9 Ų81.965%0.64536%0.363SS*.Hα-helixtrans-64.4-37.4178-78.3-175.9-66.5162.5-1.4113E182 A183 R184 F190E182-R186 WeakPolarHBondContact O-CG 3.23Å; E182-R186 PolarHBondContact O-N 3.11Å; E182-R186 PolarHBondContact O-NE 3.26Å; A183-R186 PolarHBondContact O-N 3.49Å; R184-R186 VanDerWaalsContact C-N 3.29Å; R184-R186 PolarHBondContact O-N 3.02Å; R186-F190 WeakPolarHBondContact O-CB 3.14Å; R186-F190 PolarHBondContact O-N 3.43Å
187E92.5Very high91.1Very high126 Ų12676.3 Ų76.359%0.58934%0.342SS*.Hα-helixtrans-67.1-47.7176-174.1173.3-16300111A183 R184 R185 F190 D191A183-E187 PolarHBondContact O-N 3.48Å; R184-E187 WeakPolarHBondContact O-CB 3.28Å; R184-E187 PolarHBondContact O-N 3.08Å; R184-E187 VanDerWaalsContact O-N 3.11Å; R185-E187 VanDerWaalsContact C-N 3.34Å; R185-E187 PolarHBondContact O-N 3.32Å; E187-F190 PolarHBondContact O-N 3.49Å; E187-D191 PolarHBondContact O-N 2.69Å
188I92.9Very high91.4Very high48 Ų4875.1 Ų75.125%0.24633%0.328CS..Hα-helixtrans-61.3-48.3179.2-68.2169.1000111.6P128 D132 I133 R184 R185 F190 D191 Y192P128-I188 HydrophobicContact CB-CG2 3.58Å; P128-I188 HydrophobicContact CG-CG2 3.71Å; D132-I188 HydrophobicContact CB-CD1 3.76Å; I133-I188 HydrophobicContact CG2-CG2 4.39Å; R184-I188 VanDerWaalsContact O-CG1 3.31Å; R184-I188 WeakPolarHBondContact O-CG1 3.42Å; R184-I188 PolarHBondContact O-N 3.22Å; R185-I188 PolarHBondContact O-N 2.97Å; I188-F190 VanDerWaalsContact C-N 3.32Å; I188-F190 PolarHBondContact O-N 3.48Å; I188-D191 PolarHBondContact O-N 3.43Å; I188-Y192 WeakPolarHBondContact O-CB 3.27Å; I188-Y192 PolarHBondContact O-N 2.86Å
189L91.9Very high91.7Very high20 Ų2071.8 Ų71.811%0.10532%0.315CS..Hα-helixtrans-65.1-38.7177.3-71175.9000111.6V106 I133 R185 D191 Y192 E193V106-L189 HydrophobicContact CG1-CD2 4.13Å; V106-L189 HydrophobicContact CG2-CD2 4.12Å; I133-L189 HydrophobicContact CG2-CD2 3.92Å; I133-L189 HydrophobicContact CG2-CG 4.24Å; R185-L189 HydrophobicContact CG-CD1 3.92Å; R185-L189 HydrophobicContact CG-CG 4.39Å; R185-L189 VanDerWaalsContact CZ-CD1 3.48Å; R185-L189 WeakPolarHBondContact O-CB 3.3Å; R185-L189 WeakPolarHBondContact O-CG 3.46Å; R185-L189 PolarHBondContact O-N 3.28Å; L189-D191 PolarHBondContact O-N 2.87Å; L189-Y192 PolarHBondContact O-N 3.42Å; L189-E193 VanDerWaalsContact O-CB 3.31Å; L189-E193 WeakPolarHBondContact O-CB 3.29Å; L189-E193 VanDerWaalsContact O-CG 3.28Å; L189-E193 WeakPolarHBondContact O-CG 3.41Å; L189-E193 PolarHBondContact O-N 3.3Å
190F90.5Very high92Very high79 Ų7964 Ų6435%0.34629%0.287SS..Hα-helixtrans-61.2-45.3176.2176.4-105.3000111.9R186 E187 I188 Q194 K533R186-F190 WeakPolarHBondContact O-CB 3.14Å; R186-F190 PolarHBondContact O-N 3.43Å; E187-F190 PolarHBondContact O-N 3.49Å; I188-F190 VanDerWaalsContact C-N 3.32Å; I188-F190 PolarHBondContact O-N 3.48Å; F190-Q194 WeakPolarHBondContact O-CA 3.15Å; F190-Q194 VanDerWaalsContact O-CB 3.31Å; F190-Q194 WeakPolarHBondContact O-CB 3.39Å; F190-Q194 PolarHBondContact O-N 3.01Å; F190-K533 VanDerWaalsContact CD2-NZ 3.29Å
191D91.1Very high92.3Very high93 Ų9359.5 Ų59.550%0.49727%0.266SS..Hα-helixtrans-67.6-37.9178.5-72.8-9.6000111.9E187 I188 L189E187-D191 PolarHBondContact O-N 2.69Å; I188-D191 PolarHBondContact O-N 3.43Å; L189-D191 PolarHBondContact O-N 2.87Å
192Y93Very high92.6Very high26 Ų2657.2 Ų57.210%0.10226%0.257CS..Hα-helixtrans-63.4-45.8176.7-178.3-118.8000112.1P103 V104 V106 L125 G126 P128 I188 L189P103-Y192 HydrophobicContact CB-CD1 4.22Å; P103-Y192 HydrophobicContact CB-CD2 4.44Å; P103-Y192 HydrophobicContact CB-CE1 3.65Å; P103-Y192 HydrophobicContact CB-CE2 3.9Å; P103-Y192 VanDerWaalsContact CB-CZ 3.46Å; P103-Y192 HydrophobicContact CG-CE1 4.36Å; V104-Y192 PolarHBondContact N-OH 3.42Å; V104-Y192 WeakPolarHBondContact O-CE1 3.31Å; V104-Y192 PolarHBondContact O-OH 3.01Å; V106-Y192 HydrophobicContact CG1-CD1 4.03Å; V106-Y192 HydrophobicContact CG1-CE1 3.79Å; L125-Y192 WeakPolarHBondContact O-CE2 3.44Å; G126-Y192 VanDerWaalsContact O-CD2 3.3Å; G126-Y192 WeakPolarHBondContact O-CD2 3.49Å; G126-Y192 WeakPolarHBondContact O-CE2 3.31Å; P128-Y192 HydrophobicContact CG-CD1 4.33Å; P128-Y192 HydrophobicContact CG-CD2 4.12Å; P128-Y192 HydrophobicContact CG-CG 3.89Å; I188-Y192 WeakPolarHBondContact O-CB 3.27Å; I188-Y192 PolarHBondContact O-N 2.86Å; L189-Y192 PolarHBondContact O-N 3.42Å
193E91.8Very high92.9Very high36 Ų3653.5 Ų53.517%0.16824%0.24CC..Hα-helixtrans-91.3-0.2-173.9-60.3167.5171.600113.4L189 Y195 R529L189-E193 VanDerWaalsContact O-CB 3.31Å; L189-E193 WeakPolarHBondContact O-CB 3.29Å; L189-E193 VanDerWaalsContact O-CG 3.28Å; L189-E193 WeakPolarHBondContact O-CG 3.41Å; L189-E193 PolarHBondContact O-N 3.3Å; E193-Y195 PolarHBondContact O-N 2.64Å; E193-R529 WeakPolarHBondContact O-CG 3.13Å; E193-R529 IonicContact OE1-NH2 2.74Å; E193-R529 IonicContact OE2-CZ 2.66Å; E193-R529 VanDerWaalsContact OE2-CZ 3.24Å; E193-R529 IonicContact OE2-NE 3.49Å; E193-R529 PolarHBondContact OE2-NE 3Å; E193-R529 IonicContact OE2-NH2 3.89Å; E193-R529 PolarHBondContact OE2-NH2 3.41Å
194Q90.3Very high93.1Very high60 Ų6051.9 Ų51.928%0.2823%0.225SC..SBendtrans-59.8-33.6-174.7-170.6176.518.300112.9F190 F526F190-Q194 WeakPolarHBondContact O-CA 3.15Å; F190-Q194 VanDerWaalsContact O-CB 3.31Å; F190-Q194 WeakPolarHBondContact O-CB 3.39Å; F190-Q194 PolarHBondContact O-N 3.01Å; Q194-F526 WeakPolarHBondContact O-CA 3.4Å
195Y92.4Very high93.3Very high89 Ų8946 Ų4635%0.34920%0.204SC..  trans-130.8121.8-169.8-67.1-75.7000112.7P103 E193 K524 N525 F526P103-Y195 WeakPolarHBondContact CD-O 3.43Å; E193-Y195 PolarHBondContact O-N 2.64Å; Y195-K524 HydrophobicContact CD1-CB 3.98Å; Y195-K524 HydrophobicContact CG-CB 4.2Å; Y195-K524 HydrophobicContact CG-CD 4.3Å; Y195-N525 CarbonylContact C-O 3.59Å; Y195-N525 WeakPolarHBondContact CA-O 3.36Å; Y195-F526 HydrophobicContact CD1-CB 3.87Å; Y195-F526 HydrophobicContact CE1-CB 3.81Å; Y195-F526 HydrophobicContact CE1-CD1 4.24Å; Y195-F526 HydrophobicContact CE1-CG 4.48Å
196E92.5Very high93.6Very high25 Ų2542.2 Ų42.212%0.11719%0.189CC..BIsolated β-bridgetrans-81.6142.4169.7-68151.7-143.100111.7R102 K524 N525 G528 T549 S550R102-E196 CarbonylContact O-C 3.55Å; R102-E196 VanDerWaalsContact O-CA 3.27Å; R102-E196 WeakPolarHBondContact O-CA 3.32Å; E196-K524 CarbonylContact O-C 3.55Å; E196-K524 WeakPolarHBondContact O-CA 3.43Å; E196-N525 HydrophobicContact CB-CB 4.36Å; E196-N525 PolarHBondContact N-O 3.47Å; E196-N525 PolarHBondContact O-N 3.22Å; E196-G528 WeakPolarHBondContact OE1-CA 3.46Å; E196-G528 PolarHBondContact OE1-N 3.25Å; E196-T549 WeakPolarHBondContact OE1-CB 3.37Å; E196-T549 PolarHBondContact OE1-OG1 2.91Å; E196-T549 PolarHBondContact OE2-OG1 3.47Å; E196-S550 WeakPolarHBondContact OE2-CB 3.05Å; E196-S550 PolarHBondContact OE2-N 3.47Å; E196-S550 VanDerWaalsContact OE2-N 3.07Å
197Y93.4Very high93.9Very high52 Ų5234.3 Ų34.320%0.20416%0.159CC..EExtended strand (participates in β ladder)trans-156.7-179.9170.963.2-79.1000110.3R102 K524R102-Y197 WeakPolarHBondContact CA-O 3.42Å; R102-Y197 HydrophobicContact CB-CD1 3.72Å; R102-Y197 HydrophobicContact CB-CD2 3.73Å; R102-Y197 HydrophobicContact CB-CE1 3.46Å; R102-Y197 VanDerWaalsContact CB-CE1 3.46Å; R102-Y197 HydrophobicContact CB-CE2 3.46Å; R102-Y197 VanDerWaalsContact CB-CE2 3.46Å; R102-Y197 HydrophobicContact CB-CG 3.85Å; R102-Y197 WeakPolarHBondContact CB-O 3.46Å; R102-Y197 HydrophobicContact CG-CD2 4Å; R102-Y197 HydrophobicContact CG-CE1 4.41Å; R102-Y197 HydrophobicContact CG-CE2 3.55Å; R102-Y197 PolarHBondContact N-O 3.49Å; R102-Y197 PolarHBondContact O-N 2.85Å; Y197-K524 HydrophobicContact CD1-CG 4.47Å
198H93.9Very high94Very high20 Ų2030.2 Ų30.29%0.09314%0.14CC..EExtended strand (participates in β ladder)trans-117.2140.8174-66.2-95.7000112.4T100 H101 K236 I237 D548T100-H198 CarbonylContact O-C 3.43Å; T100-H198 VanDerWaalsContact O-CA 3.26Å; T100-H198 WeakPolarHBondContact O-CA 3.35Å; T100-H198 PolarHBondContact OG1-ND1 2.96Å; H101-H198 AromaticContact CD2-CE1 3.47Å; H101-H198 PolarHBondContact CD2-CE1 2.91Å; H101-H198 VanDerWaalsContact CD2-CE1 3.47Å; H101-H198 AromaticContact NE2-CE1 3.59Å; H198-K236 HydrophobicContact CB-CB 4.19Å; H198-I237 HydrophobicContact CB-CG2 4.37Å; H198-D548 IonicContact CE1-OD1 2.62Å; H198-D548 PolarHBondContact CE1-OD1 3.17Å; H198-D548 IonicContact NE2-OD1 3.56Å; H198-D548 PolarHBondContact NE2-OD1 3.46Å
199G93.1Very high94.1Very high2 Ų227.9 Ų27.92%0.02113%0.129CC..  trans-85.9-157.5171.600000113.2T100 Q231 K241T100-G199 PolarHBondContact O-N 3.15Å; G199-Q231 PolarHBondContact O-NE2 2.69Å; G199-K241 VanDerWaalsContact C-CE 3.48Å
200T94.1Very high94.3Very high12 Ų1227 Ų277%0.07412%0.124CC..SBendtrans-63.5139179.3-55.80000112.2T100 D123 M204 K241T100-T200 WeakPolarHBondContact CG2-O 3.39Å; D123-T200 PolarHBondContact OD1-OG1 3.25Å; D123-T200 PolarHBondContact OD2-N 3.23Å; D123-T200 PolarHBondContact OD2-OG1 3.18Å; T200-M204 HydrophobicContact CG2-CB 4.45Å; T200-K241 PolarHBondContact OG1-NZ 3.1Å
201S96.6Very high94.6Very high0 Ų028.8 Ų28.80%013%0.128CC..  trans-50.7133.9178.9154.60000112.8D28 A203 M204 M205D28-S201 PolarHBondContact OD1-OG 3.45Å; D28-S201 WeakPolarHBondContact OD2-CA 3.44Å; S201-A203 VanDerWaalsContact C-N 3.27Å; S201-A203 PolarHBondContact O-N 3.08Å; S201-A203 PolarHBondContact OG-N 3.32Å; S201-M204 WeakPolarHBondContact O-CB 3.25Å; S201-M204 PolarHBondContact O-N 2.62Å; S201-M204 VanDerWaalsContact O-N 3.17Å; S201-M204 PolarHBondContact OG-N 3.38Å; S201-M205 PolarHBondContact O-N 3.35Å
202A97.1Very high94.7Very high1 Ų127.7 Ų27.71%0.00813%0.125CC..Hα-helixtrans-64.5-34.7177.100000111.4D28 A32 I75 N76 T100 M204 M205 F206D28-A202 PolarHBondContact OD2-N 2.92Å; A32-A202 HydrophobicContact CB-CB 3.94Å; I75-A202 HydrophobicContact CG2-CB 4.3Å; N76-A202 WeakPolarHBondContact OD1-CB 3.39Å; T100-A202 HydrophobicContact CG2-CB 4.3Å; A202-M204 VanDerWaalsContact C-N 3.29Å; A202-M204 PolarHBondContact O-N 3.06Å; A202-M205 WeakPolarHBondContact O-CB 3.44Å; A202-M205 PolarHBondContact O-N 2.86Å; A202-F206 WeakPolarHBondContact O-CD2 3.22Å; A202-F206 PolarHBondContact O-N 3.5Å; A202-F206 VanDerWaalsContact O-N 3.11Å
203A97.8Very high94.8Very high0 Ų027.4 Ų27.40%013%0.125CC..Hα-helixtrans-65.2-33.8176.100000112.2D28 C31 A32 I35 S201 F207D28-A203 VanDerWaalsContact OD1-CB 3.28Å; D28-A203 WeakPolarHBondContact OD1-CB 3.4Å; D28-A203 PolarHBondContact OD1-N 2.9Å; D28-A203 VanDerWaalsContact OD1-N 3.12Å; C31-A203 HydrophobicContact CB-CB 3.72Å; A32-A203 HydrophobicContact CB-CB 4.27Å; I35-A203 HydrophobicContact CD1-CB 4.12Å; I35-A203 WeakPolarHBondContact CD1-O 3.37Å; S201-A203 VanDerWaalsContact C-N 3.27Å; S201-A203 PolarHBondContact O-N 3.08Å; S201-A203 PolarHBondContact OG-N 3.32Å; A203-F207 WeakPolarHBondContact O-CB 3.26Å; A203-F207 PolarHBondContact O-N 3.15Å
204M96.3Very high94.9Very high10 Ų1031.7 Ų31.75%0.04915%0.154CC..Hα-helixtrans-66.3-41.9172.4-70.3-17661.800112T200 S201 A202 F206 F207 E208 L228 D245 V249T200-M204 HydrophobicContact CG2-CB 4.45Å; S201-M204 WeakPolarHBondContact O-CB 3.25Å; S201-M204 PolarHBondContact O-N 2.62Å; S201-M204 VanDerWaalsContact O-N 3.17Å; S201-M204 PolarHBondContact OG-N 3.38Å; A202-M204 VanDerWaalsContact C-N 3.29Å; A202-M204 PolarHBondContact O-N 3.06Å; M204-F206 PolarHBondContact O-N 2.97Å; M204-F207 PolarHBondContact O-N 3.48Å; M204-E208 PolarHBondContact O-N 3.25Å; M204-L228 HydrophobicContact SD-CB 4.06Å; M204-L228 HydrophobicContact SD-CD1 4.06Å; M204-L228 HydrophobicContact SD-CD2 4.02Å; M204-L228 HydrophobicContact SD-CG 4.26Å; M204-D245 HydrophobicContact CE-CB 4.1Å; M204-D245 HydrophobicContact SD-CB 4.08Å; M204-V249 HydrophobicContact CE-CG2 3.8Å; M204-V249 HydrophobicContact SD-CG2 4.17Å
205M95.6Very high95Very high16 Ų1632 Ų328%0.07915%0.154CC..Hα-helixtrans-59.6-47.4177.5-67.7-58-62.100112.2K120 S201 A202 F207 E208 L209K120-M205 HydrophobicContact CB-CE 4.3Å; K120-M205 HydrophobicContact CB-SD 3.94Å; S201-M205 PolarHBondContact O-N 3.35Å; A202-M205 WeakPolarHBondContact O-CB 3.44Å; A202-M205 PolarHBondContact O-N 2.86Å; M205-F207 VanDerWaalsContact C-N 3.32Å; M205-F207 PolarHBondContact O-N 3.41Å; M205-E208 PolarHBondContact O-N 2.89Å; M205-L209 PolarHBondContact O-N 3.16Å
206F97.4Very high95Very high0 Ų028.3 Ų28.30%014%0.141CC..Hα-helixtrans-71.2-26.6177.2-72.4-61000113.3F10 A32 I35 L36 V73 I75 C98 L118 A202 M204 L209 A210F10-F206 HydrophobicContact CE1-CD1 4.45Å; F10-F206 AromaticContact CE1-CE1 3.79Å; F10-F206 HydrophobicContact CE1-CE1 3.79Å; F10-F206 HydrophobicContact CZ-CE1 4Å; A32-F206 HydrophobicContact CB-CD2 3.73Å; A32-F206 HydrophobicContact CB-CE2 4.14Å; I35-F206 HydrophobicContact CB-CB 4.21Å; I35-F206 HydrophobicContact CG2-CB 3.88Å; L36-F206 HydrophobicContact CB-CD1 4.44Å; L36-F206 HydrophobicContact CD1-CD1 4Å; L36-F206 HydrophobicContact CD1-CE1 3.96Å; L36-F206 HydrophobicContact CD2-CE1 3.96Å; L36-F206 HydrophobicContact CD2-CZ 3.99Å; L36-F206 HydrophobicContact CG-CE1 4.41Å; V73-F206 HydrophobicContact CG1-CZ 4.46Å; I75-F206 HydrophobicContact CD1-CD2 4.46Å; I75-F206 HydrophobicContact CD1-CE2 3.65Å; I75-F206 HydrophobicContact CD1-CZ 4.15Å; I75-F206 HydrophobicContact CG1-CE2 3.89Å; I75-F206 HydrophobicContact CG1-CZ 4.24Å; C98-F206 HydrophobicContact CB-CE2 3.69Å; C98-F206 HydrophobicContact CB-CZ 3.66Å; L118-F206 HydrophobicContact CD1-CE1 4.22Å; L118-F206 HydrophobicContact CD1-CZ 4.21Å; A202-F206 WeakPolarHBondContact O-CD2 3.22Å; A202-F206 PolarHBondContact O-N 3.5Å; A202-F206 VanDerWaalsContact O-N 3.11Å; M204-F206 PolarHBondContact O-N 2.97Å; F206-L209 HydrophobicContact CD1-CD2 4.08Å; F206-L209 WeakPolarHBondContact O-CB 3.43Å; F206-L209 PolarHBondContact O-N 2.93Å; F206-A210 PolarHBondContact O-N 2.84Å
207F97.1Very high95Very high5 Ų529.8 Ų29.82%0.02215%0.151CC..Hα-helixtrans-68.7-40.6170.7179.4-99.7000112I35 A203 M204 M205 L209 A210 W211 D216 M220 L221 H252 H256I35-F207 HydrophobicContact CD1-CB 4.25Å; A203-F207 WeakPolarHBondContact O-CB 3.26Å; A203-F207 PolarHBondContact O-N 3.15Å; M204-F207 PolarHBondContact O-N 3.48Å; M205-F207 VanDerWaalsContact C-N 3.32Å; M205-F207 PolarHBondContact O-N 3.41Å; F207-L209 VanDerWaalsContact C-N 3.3Å; F207-L209 PolarHBondContact O-N 2.53Å; F207-A210 WeakPolarHBondContact O-CB 3.32Å; F207-A210 PolarHBondContact O-N 2.92Å; F207-W211 PolarHBondContact O-N 3.04Å; F207-D216 HydrophobicContact CE2-CB 4.06Å; F207-D216 HydrophobicContact CZ-CB 4.31Å; F207-M220 HydrophobicContact CD2-CB 3.98Å; F207-M220 HydrophobicContact CE2-CB 4.34Å; F207-L221 HydrophobicContact CD2-CB 4.32Å; F207-L221 HydrophobicContact CE1-CD1 3.86Å; F207-L221 VanDerWaalsContact CE2-CA 3.49Å; F207-L221 HydrophobicContact CE2-CB 3.58Å; F207-L221 HydrophobicContact CE2-CD1 4.11Å; F207-L221 HydrophobicContact CE2-CG 4.41Å; F207-L221 HydrophobicContact CZ-CB 3.89Å; F207-L221 HydrophobicContact CZ-CD1 3.64Å; F207-L221 HydrophobicContact CZ-CG 4.25Å; F207-H252 HydrophobicContact CE1-CB 3.9Å; F207-H252 AromaticContact CE1-CG 3.61Å; F207-H252 AromaticContact CE1-ND1 3.68Å; F207-H252 HydrophobicContact CZ-CB 4.22Å; F207-H256 AromaticContact CZ-NE2 3.97Å
208E94.9Very high94.9Very high40 Ų4029.2 Ų29.219%0.18715%0.15CC..Hα-helixtrans-59.1-42.8172.1-72.9-175.7177.400110.7K120 M204 M205 A210 W211 V212K120-E208 IonicContact NZ-OE1 3.65Å; K120-E208 PolarHBondContact NZ-OE1 2.97Å; K120-E208 IonicContact NZ-OE2 2.66Å; M204-E208 PolarHBondContact O-N 3.25Å; M205-E208 PolarHBondContact O-N 2.89Å; E208-A210 PolarHBondContact O-N 2.91Å; E208-W211 WeakPolarHBondContact O-CB 3.08Å; E208-W211 PolarHBondContact O-N 3.17Å; E208-V212 WeakPolarHBondContact O-CG2 3.29Å; E208-V212 PolarHBondContact O-N 3.31Å
209L95.7Very high94.9Very high0 Ų029.6 Ų29.60%015%0.153CC..Hα-helixtrans-57.9-48.9171.6171.462.6000112.2I6 F10 Y11 L39 M205 F206 F207 W211 V212 L213I6-L209 HydrophobicContact CD1-CB 4Å; I6-L209 HydrophobicContact CG1-CB 4.23Å; I6-L209 HydrophobicContact CG1-CD1 4.16Å; I6-L209 HydrophobicContact CG1-CD2 4.45Å; I6-L209 HydrophobicContact CG2-CB 4.3Å; I6-L209 HydrophobicContact CG2-CD1 3.99Å; F10-L209 HydrophobicContact CD1-CD2 3.91Å; F10-L209 HydrophobicContact CE1-CD2 3.66Å; Y11-L209 HydrophobicContact CD2-CD1 4.45Å; Y11-L209 HydrophobicContact CD2-CD2 3.82Å; Y11-L209 HydrophobicContact CD2-CG 4.47Å; Y11-L209 HydrophobicContact CG-CD1 4.26Å; Y11-L209 HydrophobicContact CG-CD2 4.4Å; L39-L209 HydrophobicContact CD1-CD2 4.16Å; L39-L209 HydrophobicContact CD1-CG 4.24Å; M205-L209 PolarHBondContact O-N 3.16Å; F206-L209 HydrophobicContact CD1-CD2 4.08Å; F206-L209 WeakPolarHBondContact O-CB 3.43Å; F206-L209 PolarHBondContact O-N 2.93Å; F207-L209 VanDerWaalsContact C-N 3.3Å; F207-L209 PolarHBondContact O-N 2.53Å; L209-W211 PolarHBondContact O-N 2.95Å; L209-V212 PolarHBondContact O-N 3.43Å; L209-V212 VanDerWaalsContact O-N 3.17Å; L209-L213 HydrophobicContact CD1-CD1 3.8Å; L209-L213 HydrophobicContact CD1-CG 3.95Å; L209-L213 HydrophobicContact CG-CD1 3.96Å; L209-L213 HydrophobicContact CG-CG 4.47Å; L209-L213 WeakPolarHBondContact O-CB 3.32Å; L209-L213 VanDerWaalsContact O-CG 3.32Å; L209-L213 WeakPolarHBondContact O-CG 3.37Å; L209-L213 PolarHBondContact O-N 3.41Å
210A96.8Very high95Very high0 Ų029.6 Ų29.60%015%0.152CC..Hα-helixtrans-57.4-38.117800000111.7I35 L39 F206 F207 E208 L213 T214 K215 D216 M220I35-A210 HydrophobicContact CG2-CB 4.45Å; L39-A210 HydrophobicContact CD1-CB 4.1Å; L39-A210 HydrophobicContact CD2-CB 3.95Å; L39-A210 HydrophobicContact CG-CB 4.41Å; F206-A210 PolarHBondContact O-N 2.84Å; F207-A210 WeakPolarHBondContact O-CB 3.32Å; F207-A210 PolarHBondContact O-N 2.92Å; E208-A210 PolarHBondContact O-N 2.91Å; A210-L213 PolarHBondContact O-N 2.62Å; A210-T214 PolarHBondContact O-N 3.17Å; A210-K215 PolarHBondContact O-N 3.3Å; A210-D216 PolarHBondContact O-N 3.25Å; A210-M220 HydrophobicContact CB-SD 3.89Å
211W94.9Very high95.1Very high117 Ų11729 Ų2944%0.44315%0.148SC..Hα-helixtrans-68.4-44.4176.2177.842.1000112.6F207 E208 L209 L213 T214 D216 H252F207-W211 PolarHBondContact O-N 3.04Å; E208-W211 WeakPolarHBondContact O-CB 3.08Å; E208-W211 PolarHBondContact O-N 3.17Å; L209-W211 PolarHBondContact O-N 2.95Å; W211-L213 PolarHBondContact O-N 3.09Å; W211-T214 PolarHBondContact O-N 2.89Å; W211-D216 HydrophobicContact CB-CB 4.35Å; W211-H252 AromaticContact CD2-CE1 3.78Å; W211-H252 AromaticContact CE3-CE1 3.61Å; W211-H252 AromaticContact CZ3-CE1 3.89Å
212V95.2Very high95.1Very high71 Ų7129.1 Ų29.143%0.4315%0.149SC..Hα-helixtrans-60.4-34.1174.4171.20000111.5K7 E208 L209 T214K7-V212 HydrophobicContact CB-CG1 3.91Å; K7-V212 HydrophobicContact CD-CG1 4.08Å; E208-V212 WeakPolarHBondContact O-CG2 3.29Å; E208-V212 PolarHBondContact O-N 3.31Å; L209-V212 PolarHBondContact O-N 3.43Å; L209-V212 VanDerWaalsContact O-N 3.17Å; V212-T214 VanDerWaalsContact C-N 3.27Å; V212-T214 PolarHBondContact O-N 3.23Å
213L94.4Very high95.1Very high19 Ų1930 Ų3010%0.09915%0.152CC..THydrogen-bonded Turntrans-79.1-4.5174.8-66.3174000113.9K7 Y11 L39 L209 A210 W211 K215K7-L213 HydrophobicContact CD-CD2 3.99Å; K7-L213 HydrophobicContact CG-CD2 3.85Å; Y11-L213 HydrophobicContact CD1-CD1 3.57Å; Y11-L213 HydrophobicContact CD1-CD2 3.81Å; Y11-L213 HydrophobicContact CD1-CG 4.33Å; Y11-L213 HydrophobicContact CD2-CD1 3.97Å; Y11-L213 HydrophobicContact CE1-CD1 3.52Å; Y11-L213 HydrophobicContact CE1-CD2 4.18Å; Y11-L213 HydrophobicContact CE2-CD1 3.91Å; Y11-L213 HydrophobicContact CG-CD1 3.79Å; Y11-L213 HydrophobicContact CG-CD2 4.45Å; L39-L213 HydrophobicContact CD1-CD1 4.31Å; L39-L213 HydrophobicContact CD2-CD1 4.28Å; L209-L213 HydrophobicContact CD1-CD1 3.8Å; L209-L213 HydrophobicContact CD1-CG 3.95Å; L209-L213 HydrophobicContact CG-CD1 3.96Å; L209-L213 HydrophobicContact CG-CG 4.47Å; L209-L213 WeakPolarHBondContact O-CB 3.32Å; L209-L213 VanDerWaalsContact O-CG 3.32Å; L209-L213 WeakPolarHBondContact O-CG 3.37Å; L209-L213 PolarHBondContact O-N 3.41Å; A210-L213 PolarHBondContact O-N 2.62Å; W211-L213 PolarHBondContact O-N 3.09Å; L213-K215 HydrophobicContact CB-CB 4.45Å; L213-K215 HydrophobicContact CB-CD 4.39Å; L213-K215 HydrophobicContact CB-CG 4.36Å; L213-K215 PolarHBondContact O-N 3.02Å
214T93.6Very high95.1Very high126 Ų12630 Ų3077%0.77315%0.152SC*.THydrogen-bonded Turntrans5729.8-17361.70000113.9A210 W211 V212A210-T214 PolarHBondContact O-N 3.17Å; W211-T214 PolarHBondContact O-N 2.89Å; V212-T214 VanDerWaalsContact C-N 3.27Å; V212-T214 PolarHBondContact O-N 3.23Å
215K93.1Very high95.2Very high68 Ų6829.6 Ų29.630%0.29615%0.15SC..  trans-114.114.5179.6-66.5177.7-169.7176.60112.4L39 D43 A210 L213 T217 M220L39-K215 HydrophobicContact CD2-CB 3.84Å; L39-K215 HydrophobicContact CD2-CD 4.37Å; D43-K215 IonicContact OD1-NZ 2.68Å; D43-K215 PolarHBondContact OD1-NZ 3.4Å; D43-K215 IonicContact OD2-NZ 2.91Å; D43-K215 PolarHBondContact OD2-NZ 2.85Å; A210-K215 PolarHBondContact O-N 3.3Å; L213-K215 HydrophobicContact CB-CB 4.45Å; L213-K215 HydrophobicContact CB-CD 4.39Å; L213-K215 HydrophobicContact CB-CG 4.36Å; L213-K215 PolarHBondContact O-N 3.02Å; K215-T217 PolarHBondContact O-N 3.04Å; K215-M220 VanDerWaalsContact O-SD 3.42Å
216D92.6Very high95.3Very high11 Ų1128.8 Ų28.86%0.05915%0.146CC..  trans-65121.7179.355.8-70.9000112F207 A210 W211 R255 H256 R259F207-D216 HydrophobicContact CE2-CB 4.06Å; F207-D216 HydrophobicContact CZ-CB 4.31Å; A210-D216 PolarHBondContact O-N 3.25Å; W211-D216 HydrophobicContact CB-CB 4.35Å; D216-R255 IonicContact OD2-CZ 3.47Å; D216-R255 IonicContact OD2-NH1 2.69Å; D216-R255 PolarHBondContact OD2-NH1 2.86Å; D216-R255 IonicContact OD2-NH2 3.8Å; D216-R255 PolarHBondContact OD2-NH2 2.65Å; D216-H256 PolarHBondContact O-CE1 3.46Å; D216-H256 IonicContact OD2-CE1 3.58Å; D216-H256 PolarHBondContact OD2-CE1 3.11Å; D216-H256 IonicContact OD2-NE2 3.83Å; D216-H256 PolarHBondContact OD2-NE2 3.24Å; D216-R259 IonicContact OD2-NH1 3.25Å
217T91.9Very high95.3Very high56 Ų5628.8 Ų28.834%0.34415%0.146SC..  trans-109.1162.1175.666.30000111.2K215 D219 M220 L221K215-T217 PolarHBondContact O-N 3.04Å; T217-D219 VanDerWaalsContact C-N 3.26Å; T217-D219 PolarHBondContact O-N 2.75Å; T217-M220 HydrophobicContact CG2-SD 4.24Å; T217-M220 PolarHBondContact O-N 3.49Å; T217-M220 WeakPolarHBondContact OG1-CG 3.4Å; T217-M220 PolarHBondContact OG1-N 2.64Å; T217-M220 PolarHBondContact OG1-SD 3.25Å; T217-L221 PolarHBondContact O-N 3.32Å
218K90.9Very high95.3Very high39 Ų3928.7 Ų28.717%0.1715%0.146CC..Hα-helixtrans-63-34.4174.9-67-179.5179.7173.20112.3L221 W222 N260 M272 I274K218-L221 PolarHBondContact O-N 3.19Å; K218-W222 WeakPolarHBondContact O-CB 3.4Å; K218-W222 PolarHBondContact O-N 3.44Å; K218-N260 WeakPolarHBondContact CE-ND2 3.32Å; K218-N260 WeakPolarHBondContact CE-OD1 3.26Å; K218-N260 PolarHBondContact NZ-ND2 3.36Å; K218-N260 PolarHBondContact NZ-OD1 3.02Å; K218-M272 HydrophobicContact CB-SD 3.92Å; K218-M272 VanDerWaalsContact CD-O 3.3Å; K218-M272 WeakPolarHBondContact CD-O 3.19Å; K218-M272 PolarHBondContact NZ-O 3.49Å; K218-I274 WeakPolarHBondContact O-CD1 3.45Å
219D92.9Very high95.5Very high28 Ų2826.9 Ų26.915%0.1514%0.138CC..Hα-helixtrans-62.5-46.2175.5-70.4-50.1000110.6T217 L221 W222 W223 M272 R411T217-D219 VanDerWaalsContact C-N 3.26Å; T217-D219 PolarHBondContact O-N 2.75Å; D219-L221 PolarHBondContact O-N 2.84Å; D219-W222 WeakPolarHBondContact O-CB 3.45Å; D219-W222 PolarHBondContact O-N 3.01Å; D219-W222 VanDerWaalsContact O-N 3.16Å; D219-W223 HydrophobicContact CB-CH2 4Å; D219-W223 HydrophobicContact CB-CZ2 3.94Å; D219-W223 HydrophobicContact CB-CZ3 4.39Å; D219-W223 VanDerWaalsContact O-CD2 3.26Å; D219-W223 VanDerWaalsContact O-CG 3.25Å; D219-W223 PolarHBondContact O-N 3.38Å; D219-M272 VanDerWaalsContact OD1-SD 3.34Å; D219-R411 VanDerWaalsContact CG-NE 3.34Å; D219-R411 VanDerWaalsContact OD1-CD 3.24Å; D219-R411 WeakPolarHBondContact OD1-CD 3.39Å; D219-R411 IonicContact OD1-CZ 3.86Å; D219-R411 IonicContact OD1-NE 3.56Å; D219-R411 PolarHBondContact OD1-NE 3.23Å; D219-R411 IonicContact OD1-NH2 2.62Å; D219-R411 IonicContact OD2-CZ 2.71Å; D219-R411 IonicContact OD2-NE 3.68Å; D219-R411 PolarHBondContact OD2-NE 2.91Å; D219-R411 VanDerWaalsContact OD2-NE 3.13Å; D219-R411 IonicContact OD2-NH2 2.53Å; D219-R411 PolarHBondContact OD2-NH2 3.36Å
220M96Very high95.5Very high2 Ų226.9 Ų26.91%0.0114%0.138CC..Hα-helixtrans-62-42176.4-67.2164.1175.700112.4I35 A38 L39 F207 A210 K215 T217 W222 W223 S224I35-M220 HydrophobicContact CB-CG 4.48Å; I35-M220 HydrophobicContact CG1-CB 4.13Å; I35-M220 HydrophobicContact CG1-CG 4.28Å; I35-M220 HydrophobicContact CG2-CB 4.32Å; I35-M220 HydrophobicContact CG2-CG 4.09Å; I35-M220 HydrophobicContact CG2-SD 4.49Å; A38-M220 HydrophobicContact CB-CE 3.46Å; A38-M220 VanDerWaalsContact CB-CE 3.46Å; L39-M220 HydrophobicContact CD2-CE 3.88Å; L39-M220 HydrophobicContact CG-CE 4.06Å; F207-M220 HydrophobicContact CD2-CB 3.98Å; F207-M220 HydrophobicContact CE2-CB 4.34Å; A210-M220 HydrophobicContact CB-SD 3.89Å; K215-M220 VanDerWaalsContact O-SD 3.42Å; T217-M220 HydrophobicContact CG2-SD 4.24Å; T217-M220 PolarHBondContact O-N 3.49Å; T217-M220 WeakPolarHBondContact OG1-CG 3.4Å; T217-M220 PolarHBondContact OG1-N 2.64Å; T217-M220 PolarHBondContact OG1-SD 3.25Å; M220-W222 VanDerWaalsContact C-N 3.29Å; M220-W222 PolarHBondContact O-N 2.71Å; M220-W223 HydrophobicContact CB-CE3 4.46Å; M220-W223 HydrophobicContact CG-CE3 4.16Å; M220-W223 HydrophobicContact CG-CZ3 4.06Å; M220-W223 PolarHBondContact O-N 2.76Å; M220-S224 PolarHBondContact O-N 2.79Å
221L96.1Very high95.5Very high0 Ų027 Ų270%014%0.138CC..Hα-helixtrans-61.7-38.9175.1177.759.2000111.8F207 T217 K218 D219 S224 I225 V249 H252 V253 H256 I274F207-L221 HydrophobicContact CD2-CB 4.32Å; F207-L221 HydrophobicContact CE1-CD1 3.86Å; F207-L221 VanDerWaalsContact CE2-CA 3.49Å; F207-L221 HydrophobicContact CE2-CB 3.58Å; F207-L221 HydrophobicContact CE2-CD1 4.11Å; F207-L221 HydrophobicContact CE2-CG 4.41Å; F207-L221 HydrophobicContact CZ-CB 3.89Å; F207-L221 HydrophobicContact CZ-CD1 3.64Å; F207-L221 HydrophobicContact CZ-CG 4.25Å; T217-L221 PolarHBondContact O-N 3.32Å; K218-L221 PolarHBondContact O-N 3.19Å; D219-L221 PolarHBondContact O-N 2.84Å; L221-S224 WeakPolarHBondContact CA-OG 3.34Å; L221-S224 PolarHBondContact O-N 3.49Å; L221-S224 PolarHBondContact O-OG 3.15Å; L221-I225 HydrophobicContact CG-CD1 4.24Å; L221-I225 VanDerWaalsContact O-CG1 3.32Å; L221-I225 WeakPolarHBondContact O-CG1 3.22Å; L221-I225 PolarHBondContact O-N 3.31Å; L221-V249 HydrophobicContact CD1-CG1 4.04Å; L221-H252 HydrophobicContact CD1-CB 3.83Å; L221-H252 HydrophobicContact CD2-CB 4.48Å; L221-V253 HydrophobicContact CD1-CG2 4.42Å; L221-V253 HydrophobicContact CD2-CB 4.43Å; L221-V253 HydrophobicContact CD2-CG2 3.78Å; L221-V253 HydrophobicContact CG-CG2 4.3Å; L221-H256 HydrophobicContact CD2-CB 4.32Å; L221-I274 HydrophobicContact CB-CD1 4.37Å; L221-I274 HydrophobicContact CD2-CD1 4.2Å; L221-I274 HydrophobicContact CG-CD1 4.2Å
222W96.4Very high95.4Very high2 Ų222.6 Ų22.61%0.00812%0.121CC..Hα-helixtrans-68.7-40.9176.7-176.1-121.7000112.4K218 D219 M220 S224 I225 I226 M272 I274 F365 V367 A377 M380K218-W222 WeakPolarHBondContact O-CB 3.4Å; K218-W222 PolarHBondContact O-N 3.44Å; D219-W222 WeakPolarHBondContact O-CB 3.45Å; D219-W222 PolarHBondContact O-N 3.01Å; D219-W222 VanDerWaalsContact O-N 3.16Å; M220-W222 VanDerWaalsContact C-N 3.29Å; M220-W222 PolarHBondContact O-N 2.71Å; W222-S224 VanDerWaalsContact C-N 3.32Å; W222-S224 PolarHBondContact O-N 3.2Å; W222-I225 HydrophobicContact CE3-CB 4.11Å; W222-I225 HydrophobicContact CE3-CD1 3.92Å; W222-I225 HydrophobicContact CE3-CG2 3.91Å; W222-I225 HydrophobicContact CH2-CG2 4.48Å; W222-I225 HydrophobicContact CZ3-CB 4.42Å; W222-I225 HydrophobicContact CZ3-CD1 4.35Å; W222-I225 HydrophobicContact CZ3-CG2 3.71Å; W222-I225 WeakPolarHBondContact O-CB 3.36Å; W222-I225 PolarHBondContact O-N 3.33Å; W222-I226 HydrophobicContact CD2-CD1 4.41Å; W222-I226 HydrophobicContact CD2-CG1 4.46Å; W222-I226 HydrophobicContact CG-CD1 4.33Å; W222-I226 HydrophobicContact CZ2-CD1 4.45Å; W222-I226 HydrophobicContact CZ2-CG1 4.36Å; W222-I226 WeakPolarHBondContact O-CG1 3.35Å; W222-I226 PolarHBondContact O-N 3.25Å; W222-M272 HydrophobicContact CB-CE 3.22Å; W222-M272 HydrophobicContact CD2-CE 4.27Å; W222-M272 HydrophobicContact CG-CE 3.42Å; W222-M272 VanDerWaalsContact CG-CE 3.42Å; W222-I274 HydrophobicContact CB-CD1 3.93Å; W222-I274 HydrophobicContact CE3-CD1 4.45Å; W222-I274 HydrophobicContact CE3-CG1 4.4Å; W222-I274 HydrophobicContact CE3-CG2 4.32Å; W222-F365 HydrophobicContact CZ3-CB 3.98Å; W222-V367 HydrophobicContact CD2-CB 3.94Å; W222-V367 HydrophobicContact CD2-CG1 4.2Å; W222-V367 HydrophobicContact CD2-CG2 4.35Å; W222-V367 VanDerWaalsContact CE2-CG1 3.47Å; W222-V367 HydrophobicContact CE3-CB 4.03Å; W222-V367 HydrophobicContact CH2-CB 3.77Å; W222-V367 HydrophobicContact CH2-CG1 3.78Å; W222-V367 HydrophobicContact CZ2-CB 3.68Å; W222-V367 HydrophobicContact CZ2-CG1 3.26Å; W222-V367 HydrophobicContact CZ3-CB 3.94Å; W222-V367 HydrophobicContact CZ3-CG1 4.43Å; W222-A377 HydrophobicContact CH2-CB 3.89Å; W222-A377 HydrophobicContact CZ3-CB 4.29Å; W222-M380 HydrophobicContact CZ2-CG 3.75Å
223W97.6Very high95.3Very high20 Ų2020 Ų208%0.07611%0.105CC..Hα-helixtrans-61.9-40.1173.1-58.8-33.1000111.4C31 K34 I35 A38 D219 M220 I225 I226 G227 L409C31-W223 HydrophobicContact CB-CB 4.09Å; C31-W223 VanDerWaalsContact CB-O 3.23Å; C31-W223 WeakPolarHBondContact CB-O 3.42Å; C31-W223 PolarHBondContact SG-O 2.8Å; C31-W223 VanDerWaalsContact SG-O 3.42Å; K34-W223 HydrophobicContact CB-CD2 3.7Å; K34-W223 HydrophobicContact CB-CE3 3.55Å; K34-W223 HydrophobicContact CB-CG 4.28Å; K34-W223 HydrophobicContact CB-CH2 4.23Å; K34-W223 HydrophobicContact CB-CZ2 4.34Å; K34-W223 HydrophobicContact CB-CZ3 3.84Å; K34-W223 HydrophobicContact CG-CD2 4.45Å; K34-W223 WeakPolarHBondContact O-CZ3 3.36Å; I35-W223 HydrophobicContact CD1-CB 4.19Å; I35-W223 HydrophobicContact CG1-CB 4.02Å; I35-W223 HydrophobicContact CG1-CE3 3.81Å; A38-W223 HydrophobicContact CB-CZ3 4.22Å; D219-W223 HydrophobicContact CB-CH2 4Å; D219-W223 HydrophobicContact CB-CZ2 3.94Å; D219-W223 HydrophobicContact CB-CZ3 4.39Å; D219-W223 VanDerWaalsContact O-CD2 3.26Å; D219-W223 VanDerWaalsContact O-CG 3.25Å; D219-W223 PolarHBondContact O-N 3.38Å; M220-W223 HydrophobicContact CB-CE3 4.46Å; M220-W223 HydrophobicContact CG-CE3 4.16Å; M220-W223 HydrophobicContact CG-CZ3 4.06Å; M220-W223 PolarHBondContact O-N 2.76Å; W223-I225 VanDerWaalsContact C-N 3.32Å; W223-I225 PolarHBondContact O-N 3.41Å; W223-I226 PolarHBondContact O-N 3.07Å; W223-G227 PolarHBondContact O-N 2.92Å; W223-L409 PolarHBondContact NE1-O 2.9Å
224S97.9Very high95.2Very high0 Ų019.5 Ų19.50%010%0.103CC..Hα-helixtrans-64-36.5174.165.30000113.2M220 L221 W222 G227 L228M220-S224 PolarHBondContact O-N 2.79Å; L221-S224 WeakPolarHBondContact CA-OG 3.34Å; L221-S224 PolarHBondContact O-N 3.49Å; L221-S224 PolarHBondContact O-OG 3.15Å; W222-S224 VanDerWaalsContact C-N 3.32Å; W222-S224 PolarHBondContact O-N 3.2Å; S224-G227 PolarHBondContact O-N 2.87Å; S224-L228 PolarHBondContact O-N 3.47Å
225I98.1Very high95.1Very high1 Ų114.5 Ų14.51%0.0057%0.071CC..Hα-helixtrans-62.1-44.5173.3-76162.3000110.8L221 W222 W223 L228 T229 V249 V253 I274 F365 A377L221-I225 HydrophobicContact CG-CD1 4.24Å; L221-I225 VanDerWaalsContact O-CG1 3.32Å; L221-I225 WeakPolarHBondContact O-CG1 3.22Å; L221-I225 PolarHBondContact O-N 3.31Å; W222-I225 HydrophobicContact CE3-CB 4.11Å; W222-I225 HydrophobicContact CE3-CD1 3.92Å; W222-I225 HydrophobicContact CE3-CG2 3.91Å; W222-I225 HydrophobicContact CH2-CG2 4.48Å; W222-I225 HydrophobicContact CZ3-CB 4.42Å; W222-I225 HydrophobicContact CZ3-CD1 4.35Å; W222-I225 HydrophobicContact CZ3-CG2 3.71Å; W222-I225 WeakPolarHBondContact O-CB 3.36Å; W222-I225 PolarHBondContact O-N 3.33Å; W223-I225 VanDerWaalsContact C-N 3.32Å; W223-I225 PolarHBondContact O-N 3.41Å; I225-L228 PolarHBondContact O-N 3.27Å; I225-T229 WeakPolarHBondContact O-CB 3.45Å; I225-T229 PolarHBondContact O-N 3.23Å; I225-T229 PolarHBondContact O-OG1 3.26Å; I225-V249 HydrophobicContact CD1-CG1 3.96Å; I225-V249 HydrophobicContact CG1-CG1 3.38Å; I225-V253 HydrophobicContact CD1-CG2 4.09Å; I225-I274 HydrophobicContact CD1-CG2 3.72Å; I225-F365 HydrophobicContact CD1-CB 4.06Å; I225-F365 HydrophobicContact CD1-CD1 4.11Å; I225-F365 HydrophobicContact CD1-CD2 4.12Å; I225-F365 HydrophobicContact CD1-CG 3.84Å; I225-F365 HydrophobicContact CG1-CD2 3.95Å; I225-F365 HydrophobicContact CG1-CE2 4.32Å; I225-F365 HydrophobicContact CG1-CG 4.19Å; I225-F365 HydrophobicContact CG2-CB 3.83Å; I225-F365 HydrophobicContact CG2-CD2 3.8Å; I225-F365 HydrophobicContact CG2-CG 4.11Å; I225-A377 HydrophobicContact CG2-CB 3.61Å
226I98Very high95.1Very high0 Ų012.2 Ų12.20%06%0.061CC..Hα-helixtrans-64-44.2179.1-65.7167.3000110.3I27 C31 W222 W223 T229 D230 M380 V381 L409I27-I226 HydrophobicContact CG2-CG2 3.8Å; C31-I226 VanDerWaalsContact SG-CG2 3.52Å; W222-I226 HydrophobicContact CD2-CD1 4.41Å; W222-I226 HydrophobicContact CD2-CG1 4.46Å; W222-I226 HydrophobicContact CG-CD1 4.33Å; W222-I226 HydrophobicContact CZ2-CD1 4.45Å; W222-I226 HydrophobicContact CZ2-CG1 4.36Å; W222-I226 WeakPolarHBondContact O-CG1 3.35Å; W222-I226 PolarHBondContact O-N 3.25Å; W223-I226 PolarHBondContact O-N 3.07Å; I226-T229 CarbonylContact O-C 3.53Å; I226-T229 PolarHBondContact O-N 3.41Å; I226-T229 VanDerWaalsContact O-N 3.16Å; I226-D230 PolarHBondContact O-N 3.45Å; I226-M380 HydrophobicContact CD1-CB 3.75Å; I226-M380 HydrophobicContact CD1-CE 4.1Å; I226-M380 HydrophobicContact CD1-CG 3.97Å; I226-M380 HydrophobicContact CG1-CB 3.98Å; I226-M380 HydrophobicContact CG1-CG 4.37Å; I226-M380 HydrophobicContact CG2-CB 4.42Å; I226-V381 HydrophobicContact CG2-CG2 3.78Å; I226-V381 WeakPolarHBondContact O-CG2 3.2Å; I226-L409 HydrophobicContact CD1-CD2 4Å; I226-L409 HydrophobicContact CG2-CD2 4.49Å
227G97.7Very high95.1Very high0 Ų011.9 Ų11.90%06%0.059CC..Hα-helixtrans-61-43.8177.100000113.4D28 W223 S224 T229 D230 Q231D28-G227 WeakPolarHBondContact OD1-CA 3.33Å; W223-G227 PolarHBondContact O-N 2.92Å; S224-G227 PolarHBondContact O-N 2.87Å; G227-T229 VanDerWaalsContact C-N 3.33Å; G227-T229 PolarHBondContact O-N 3.43Å; G227-D230 WeakPolarHBondContact O-CB 3.26Å; G227-D230 PolarHBondContact O-N 2.95Å; G227-Q231 PolarHBondContact O-N 3.31Å
228L97.4Very high95.1Very high2 Ų211 Ų111%0.016%0.055CC..Hα-helixtrans-62.7-40.8172.3175.661.1000112M204 S224 I225 D230 Q231 W232 I237 Y242 D245 I246 V249M204-L228 HydrophobicContact SD-CB 4.06Å; M204-L228 HydrophobicContact SD-CD1 4.06Å; M204-L228 HydrophobicContact SD-CD2 4.02Å; M204-L228 HydrophobicContact SD-CG 4.26Å; S224-L228 PolarHBondContact O-N 3.47Å; I225-L228 PolarHBondContact O-N 3.27Å; L228-D230 VanDerWaalsContact C-N 3.29Å; L228-D230 PolarHBondContact O-N 3.41Å; L228-Q231 PolarHBondContact O-N 2.8Å; L228-W232 PolarHBondContact O-N 3.13Å; L228-I237 HydrophobicContact CD1-CD1 3.95Å; L228-Y242 HydrophobicContact CD1-CD2 4.16Å; L228-Y242 HydrophobicContact CG-CD2 4.1Å; L228-Y242 HydrophobicContact CG-CE2 4.23Å; L228-D245 HydrophobicContact CD1-CB 3.65Å; L228-D245 HydrophobicContact CD2-CB 3.79Å; L228-D245 HydrophobicContact CG-CB 4.39Å; L228-I246 HydrophobicContact CD2-CG1 4.06Å; L228-V249 HydrophobicContact CD2-CG2 4.13Å
229T97.3Very high95Very high3 Ų314.2 Ų14.22%0.0187%0.07CC..Hα-helixtrans-67.3-32.4179.5-54.60000111.4I225 I226 G227 W232 V233 A377 V381I225-T229 WeakPolarHBondContact O-CB 3.45Å; I225-T229 PolarHBondContact O-N 3.23Å; I225-T229 PolarHBondContact O-OG1 3.26Å; I226-T229 CarbonylContact O-C 3.53Å; I226-T229 PolarHBondContact O-N 3.41Å; I226-T229 VanDerWaalsContact O-N 3.16Å; G227-T229 VanDerWaalsContact C-N 3.33Å; G227-T229 PolarHBondContact O-N 3.43Å; T229-W232 PolarHBondContact O-N 3.32Å; T229-V233 HydrophobicContact CG2-CG2 3.98Å; T229-V233 WeakPolarHBondContact O-CB 3.47Å; T229-V233 VanDerWaalsContact O-CG2 3.31Å; T229-V233 WeakPolarHBondContact O-CG2 3.36Å; T229-V233 PolarHBondContact O-N 3.17Å; T229-A377 HydrophobicContact CG2-CB 4Å; T229-A377 WeakPolarHBondContact OG1-CB 3.39Å; T229-V381 HydrophobicContact CG2-CG2 4.03Å
230D97.2Very high94.9Very high0 Ų019.4 Ų19.40%010%0.095CC..Hα-helixtrans-58-50.4173.6177.560.6000111.7I27 I226 G227 L228 W232 V233 H234 V381I27-D230 HydrophobicContact CB-CB 3.95Å; I27-D230 HydrophobicContact CG2-CB 4.07Å; I226-D230 PolarHBondContact O-N 3.45Å; G227-D230 WeakPolarHBondContact O-CB 3.26Å; G227-D230 PolarHBondContact O-N 2.95Å; L228-D230 VanDerWaalsContact C-N 3.29Å; L228-D230 PolarHBondContact O-N 3.41Å; D230-W232 PolarHBondContact O-N 2.95Å; D230-V233 PolarHBondContact O-N 3.16Å; D230-H234 WeakPolarHBondContact O-CB 3.42Å; D230-H234 PolarHBondContact O-N 3.12Å; D230-H234 PolarHBondContact O-ND1 2.58Å; D230-H234 IonicContact OD1-CE1 2.7Å; D230-H234 PolarHBondContact OD1-CE1 3.04Å; D230-H234 IonicContact OD1-CG 2.66Å; D230-H234 IonicContact OD1-ND1 3.79Å; D230-H234 PolarHBondContact OD1-ND1 2.9Å; D230-V381 HydrophobicContact CB-CG1 4.3Å; D230-V381 HydrophobicContact CB-CG2 4.33Å
231Q95.3Very high94.7Very high1 Ų121.2 Ų21.21%0.00510%0.103CC..Hα-helixtrans-58.2-35.2178-65.3-171.8-39.500112G199 G227 L228 D235 K236 I237G199-Q231 PolarHBondContact O-NE2 2.69Å; G227-Q231 PolarHBondContact O-N 3.31Å; L228-Q231 PolarHBondContact O-N 2.8Å; Q231-D235 PolarHBondContact O-N 3Å; Q231-K236 HydrophobicContact CB-CB 4.25Å; Q231-K236 WeakPolarHBondContact O-CB 3.49Å; Q231-K236 PolarHBondContact O-N 2.74Å; Q231-I237 HydrophobicContact CB-CD1 3.9Å; Q231-I237 HydrophobicContact CB-CG1 3.91Å; Q231-I237 HydrophobicContact CB-CG2 4.12Å
232W94Very high94.6Very high25 Ų2521.3 Ų21.310%0.09510%0.104CC..Hα-helixtrans-77-46.3177.2179.872.6000113.4L228 T229 D230 H234 D235 Y242 R281 I362L228-W232 PolarHBondContact O-N 3.13Å; T229-W232 PolarHBondContact O-N 3.32Å; D230-W232 PolarHBondContact O-N 2.95Å; W232-H234 VanDerWaalsContact C-N 3.26Å; W232-H234 PolarHBondContact O-N 2.91Å; W232-D235 PolarHBondContact O-N 3.42Å; W232-Y242 HydrophobicContact CB-CD2 3.47Å; W232-Y242 VanDerWaalsContact CB-CD2 3.47Å; W232-Y242 HydrophobicContact CB-CE2 3.55Å; W232-Y242 HydrophobicContact CB-CG 4.01Å; W232-Y242 AromaticContact CD1-CD1 3.71Å; W232-Y242 AromaticContact CD1-CG 3.64Å; W232-Y242 HydrophobicContact CD2-CE1 4.12Å; W232-Y242 HydrophobicContact CD2-CE2 4.25Å; W232-Y242 AromaticContact CD2-CZ 3.95Å; W232-Y242 HydrophobicContact CG-CD1 4.04Å; W232-Y242 AromaticContact CG-CD2 3.76Å; W232-Y242 HydrophobicContact CG-CD2 3.76Å; W232-Y242 HydrophobicContact CG-CE1 4.05Å; W232-Y242 AromaticContact CG-CE2 3.76Å; W232-Y242 HydrophobicContact CG-CE2 3.76Å; W232-Y242 AromaticContact CG-CG 3.86Å; W232-Y242 HydrophobicContact CG-CG 3.86Å; W232-Y242 AromaticContact CG-CZ 3.88Å; W232-Y242 AromaticContact NE1-CD1 3.99Å; W232-R281 HydrophobicContact CH2-CG 4.25Å; W232-I362 HydrophobicContact CH2-CB 4.31Å; W232-I362 HydrophobicContact CH2-CD1 3.42Å; W232-I362 VanDerWaalsContact CH2-CD1 3.42Å; W232-I362 HydrophobicContact CH2-CG1 4.44Å; W232-I362 HydrophobicContact CH2-CG2 3.88Å; W232-I362 HydrophobicContact CZ2-CD1 4.39Å; W232-I362 HydrophobicContact CZ2-CG2 3.88Å; W232-I362 HydrophobicContact CZ3-CD1 3.72Å
233V93.3Very high94.5Very high16 Ų1623 Ų2310%0.09711%0.114CC..Hα-helixtrans-60.1-40179.3167.30000110.9T229 D230 D235 V381T229-V233 HydrophobicContact CG2-CG2 3.98Å; T229-V233 WeakPolarHBondContact O-CB 3.47Å; T229-V233 VanDerWaalsContact O-CG2 3.31Å; T229-V233 WeakPolarHBondContact O-CG2 3.36Å; T229-V233 PolarHBondContact O-N 3.17Å; D230-V233 PolarHBondContact O-N 3.16Å; V233-D235 VanDerWaalsContact C-N 3.29Å; V233-D235 PolarHBondContact O-N 2.81Å; V233-V381 HydrophobicContact CB-CG1 4.16Å; V233-V381 HydrophobicContact CG1-CG1 4.17Å; V233-V381 HydrophobicContact CG2-CG1 4.33Å
234H91.9Very high94.3Very high9 Ų925.5 Ų25.54%0.04213%0.134CC..THydrogen-bonded Turntrans-87.712.8177.4-65.1104.5000113.2D230 W232 K236 K476D230-H234 WeakPolarHBondContact O-CB 3.42Å; D230-H234 PolarHBondContact O-N 3.12Å; D230-H234 PolarHBondContact O-ND1 2.58Å; D230-H234 IonicContact OD1-CE1 2.7Å; D230-H234 PolarHBondContact OD1-CE1 3.04Å; D230-H234 IonicContact OD1-CG 2.66Å; D230-H234 IonicContact OD1-ND1 3.79Å; D230-H234 PolarHBondContact OD1-ND1 2.9Å; W232-H234 VanDerWaalsContact C-N 3.26Å; W232-H234 PolarHBondContact O-N 2.91Å; H234-K236 HydrophobicContact CB-CG 4.28Å; H234-K236 PolarHBondContact O-N 3.37Å; H234-K476 PolarHBondContact O-NZ 3.02Å
235D91.1Very high94.2Very high21 Ų2126.2 Ų26.211%0.11214%0.138CC..THydrogen-bonded Turntrans46.643.9179.4-69.8-49.3000112.7Q231 W232 V233 K476 K480 K523Q231-D235 PolarHBondContact O-N 3Å; W232-D235 PolarHBondContact O-N 3.42Å; V233-D235 VanDerWaalsContact C-N 3.29Å; V233-D235 PolarHBondContact O-N 2.81Å; D235-K476 HydrophobicContact CB-CD 4.05Å; D235-K476 PolarHBondContact O-NZ 3.17Å; D235-K480 IonicContact OD1-NZ 3.4Å; D235-K480 IonicContact OD2-NZ 3.53Å; D235-K480 PolarHBondContact OD2-NZ 3.29Å; D235-K523 IonicContact OD1-NZ 2.97Å
236K92.3Very high94Very high21 Ų2126.2 Ų26.29%0.09114%0.138CC..  trans-83.9-30.5175.8-71.1-175.3170.3-177.80112.5H198 Q231 H234H198-K236 HydrophobicContact CB-CB 4.19Å; Q231-K236 HydrophobicContact CB-CB 4.25Å; Q231-K236 WeakPolarHBondContact O-CB 3.49Å; Q231-K236 PolarHBondContact O-N 2.74Å; H234-K236 HydrophobicContact CB-CG 4.28Å; H234-K236 PolarHBondContact O-N 3.37Å
237I93Very high93.9Very high3 Ų327.7 Ų27.72%0.01515%0.151CC..SBendtrans-119150.8-179.460.6173.8000111.7H198 L228 Q231 K241 Y242H198-I237 HydrophobicContact CB-CG2 4.37Å; L228-I237 HydrophobicContact CD1-CD1 3.95Å; Q231-I237 HydrophobicContact CB-CD1 3.9Å; Q231-I237 HydrophobicContact CB-CG1 3.91Å; Q231-I237 HydrophobicContact CB-CG2 4.12Å; I237-K241 HydrophobicContact CB-CD 4.19Å; I237-K241 HydrophobicContact CD1-CG 4.49Å; I237-K241 HydrophobicContact CG2-CD 4.03Å; I237-Y242 HydrophobicContact CD1-CD2 4.42Å
238P91.7Very high93.7Very high39 Ų3929.1 Ų29.125%0.25316%0.159SC..  trans-69.3154.717527.6-33000111.6M240 K241 Y242 K523P238-M240 VanDerWaalsContact C-N 3.28Å; P238-M240 PolarHBondContact O-N 3.13Å; P238-K241 HydrophobicContact CG-CB 3.93Å; P238-K241 PolarHBondContact O-N 2.91Å; P238-K241 VanDerWaalsContact O-N 3.09Å; P238-Y242 PolarHBondContact O-N 3.47Å; P238-Y242 VanDerWaalsContact O-N 3.17Å; P238-K523 HydrophobicContact CB-CG 4.41Å
239H90.3Very high93.6Very high105 Ų10529.2 Ų29.249%0.48616%0.16SC..Hα-helixtrans-58.7-37.9-175.8-177.550.5000113.2K241 Y242 V243H239-K241 PolarHBondContact O-N 3.28Å; H239-Y242 PolarHBondContact O-N 3.44Å; H239-V243 WeakPolarHBondContact O-CG2 3.41Å; H239-V243 PolarHBondContact O-N 3.03Å
240M90.9Very high93.5Very high137 Ų13732.2 Ų32.268%0.67517%0.174SC*.Hα-helixtrans-63.3-39.3177.8-67.6-64.799.200112.6P238 V243 S244P238-M240 VanDerWaalsContact C-N 3.28Å; P238-M240 PolarHBondContact O-N 3.13Å; M240-V243 PolarHBondContact O-N 3.2Å; M240-S244 PolarHBondContact O-N 2.97Å
241K92.1Very high93.4Very high40 Ų4039.7 Ų39.717%0.17420%0.202CC..Hα-helixtrans-63.9-47.5175-178.9171.2175.371.90110.5D123 G199 T200 I237 P238 H239 V243 S244 D245D123-K241 IonicContact OD1-NZ 3.32Å; D123-K241 PolarHBondContact OD1-NZ 3.36Å; G199-K241 VanDerWaalsContact C-CE 3.48Å; T200-K241 PolarHBondContact OG1-NZ 3.1Å; I237-K241 HydrophobicContact CB-CD 4.19Å; I237-K241 HydrophobicContact CD1-CG 4.49Å; I237-K241 HydrophobicContact CG2-CD 4.03Å; P238-K241 HydrophobicContact CG-CB 3.93Å; P238-K241 PolarHBondContact O-N 2.91Å; P238-K241 VanDerWaalsContact O-N 3.09Å; H239-K241 PolarHBondContact O-N 3.28Å; K241-V243 VanDerWaalsContact C-N 3.33Å; K241-V243 PolarHBondContact O-N 2.83Å; K241-S244 WeakPolarHBondContact O-CB 3.31Å; K241-S244 PolarHBondContact O-N 2.76Å; K241-S244 VanDerWaalsContact O-N 3.14Å; K241-D245 WeakPolarHBondContact CG-OD2 3.47Å; K241-D245 IonicContact NZ-OD2 3.78Å; K241-D245 WeakPolarHBondContact O-CB 3.46Å; K241-D245 VanDerWaalsContact O-CG 3.3Å; K241-D245 PolarHBondContact O-N 3.1Å
242Y94.1Very high93.3Very high3 Ų340.5 Ų40.51%0.01221%0.205CC..Hα-helixtrans-55.6-44.6176175.6-107.3000113L228 W232 I237 P238 H239 D245 I246 Q363L228-Y242 HydrophobicContact CD1-CD2 4.16Å; L228-Y242 HydrophobicContact CG-CD2 4.1Å; L228-Y242 HydrophobicContact CG-CE2 4.23Å; W232-Y242 HydrophobicContact CB-CD2 3.47Å; W232-Y242 VanDerWaalsContact CB-CD2 3.47Å; W232-Y242 HydrophobicContact CB-CE2 3.55Å; W232-Y242 HydrophobicContact CB-CG 4.01Å; W232-Y242 AromaticContact CD1-CD1 3.71Å; W232-Y242 AromaticContact CD1-CG 3.64Å; W232-Y242 HydrophobicContact CD2-CE1 4.12Å; W232-Y242 HydrophobicContact CD2-CE2 4.25Å; W232-Y242 AromaticContact CD2-CZ 3.95Å; W232-Y242 HydrophobicContact CG-CD1 4.04Å; W232-Y242 AromaticContact CG-CD2 3.76Å; W232-Y242 HydrophobicContact CG-CD2 3.76Å; W232-Y242 HydrophobicContact CG-CE1 4.05Å; W232-Y242 AromaticContact CG-CE2 3.76Å; W232-Y242 HydrophobicContact CG-CE2 3.76Å; W232-Y242 AromaticContact CG-CG 3.86Å; W232-Y242 HydrophobicContact CG-CG 3.86Å; W232-Y242 AromaticContact CG-CZ 3.88Å; W232-Y242 AromaticContact NE1-CD1 3.99Å; I237-Y242 HydrophobicContact CD1-CD2 4.42Å; P238-Y242 PolarHBondContact O-N 3.47Å; P238-Y242 VanDerWaalsContact O-N 3.17Å; H239-Y242 PolarHBondContact O-N 3.44Å; Y242-D245 PolarHBondContact O-N 3.41Å; Y242-I246 HydrophobicContact CD1-CD1 4.01Å; Y242-I246 HydrophobicContact CD2-CD1 4.43Å; Y242-I246 HydrophobicContact CD2-CG1 4.37Å; Y242-I246 HydrophobicContact CE1-CD1 3.31Å; Y242-I246 HydrophobicContact CE1-CG1 4.19Å; Y242-I246 HydrophobicContact CE2-CD1 3.82Å; Y242-I246 HydrophobicContact CE2-CG1 4.05Å; Y242-I246 WeakPolarHBondContact O-CB 3.23Å; Y242-I246 WeakPolarHBondContact O-CG1 3.28Å; Y242-I246 PolarHBondContact O-N 3.42Å; Y242-I246 WeakPolarHBondContact OH-CD1 3.37Å; Y242-Q363 WeakPolarHBondContact CE1-O 3.44Å; Y242-Q363 PolarHBondContact OH-O 3.4Å
243V93.8Very high93.2Very high38 Ų3839.5 Ų39.523%0.2320%0.202CC..Hα-helixtrans-65.7-40.5178.4173.40000111.7H239 M240 K241 A247H239-V243 WeakPolarHBondContact O-CG2 3.41Å; H239-V243 PolarHBondContact O-N 3.03Å; M240-V243 PolarHBondContact O-N 3.2Å; K241-V243 VanDerWaalsContact C-N 3.33Å; K241-V243 PolarHBondContact O-N 2.83Å; V243-A247 PolarHBondContact O-N 3.06Å
244S94Very high93.1Very high71 Ų7141.9 Ų41.950%0.49722%0.219SC..Hα-helixtrans-61.6-46.2175-1790000111.8M240 K241 A247 T248M240-S244 PolarHBondContact O-N 2.97Å; K241-S244 WeakPolarHBondContact O-CB 3.31Å; K241-S244 PolarHBondContact O-N 2.76Å; K241-S244 VanDerWaalsContact O-N 3.14Å; S244-A247 WeakPolarHBondContact O-CB 3.37Å; S244-A247 PolarHBondContact O-N 3.22Å; S244-T248 PolarHBondContact O-N 3.46Å; S244-T248 PolarHBondContact O-OG1 3.32Å
245D94.5Very high93.1Very high15 Ų1544.9 Ų44.98%0.0823%0.231CC..Hα-helixtrans-69.4-38.6-178.3-66.4-15.7000111M204 L228 K241 Y242 A247 T248 V249M204-D245 HydrophobicContact CE-CB 4.1Å; M204-D245 HydrophobicContact SD-CB 4.08Å; L228-D245 HydrophobicContact CD1-CB 3.65Å; L228-D245 HydrophobicContact CD2-CB 3.79Å; L228-D245 HydrophobicContact CG-CB 4.39Å; K241-D245 WeakPolarHBondContact CG-OD2 3.47Å; K241-D245 IonicContact NZ-OD2 3.78Å; K241-D245 WeakPolarHBondContact O-CB 3.46Å; K241-D245 VanDerWaalsContact O-CG 3.3Å; K241-D245 PolarHBondContact O-N 3.1Å; Y242-D245 PolarHBondContact O-N 3.41Å; D245-A247 VanDerWaalsContact C-N 3.32Å; D245-A247 PolarHBondContact O-N 3.02Å; D245-T248 WeakPolarHBondContact O-CB 3.27Å; D245-T248 PolarHBondContact O-N 2.94Å; D245-T248 VanDerWaalsContact O-N 3.12Å; D245-V249 WeakPolarHBondContact O-CG2 3.2Å; D245-V249 PolarHBondContact O-N 3.12Å
246I95.1Very high92.8Very high1 Ų144 Ų441%0.00523%0.226CC..Hα-helixtrans-55.9-46169.9-83.8-166.5000111.5L228 Y242 T248 V249 Q250 F276 Q363 F365L228-I246 HydrophobicContact CD2-CG1 4.06Å; Y242-I246 HydrophobicContact CD1-CD1 4.01Å; Y242-I246 HydrophobicContact CD2-CD1 4.43Å; Y242-I246 HydrophobicContact CD2-CG1 4.37Å; Y242-I246 HydrophobicContact CE1-CD1 3.31Å; Y242-I246 HydrophobicContact CE1-CG1 4.19Å; Y242-I246 HydrophobicContact CE2-CD1 3.82Å; Y242-I246 HydrophobicContact CE2-CG1 4.05Å; Y242-I246 WeakPolarHBondContact O-CB 3.23Å; Y242-I246 WeakPolarHBondContact O-CG1 3.28Å; Y242-I246 PolarHBondContact O-N 3.42Å; Y242-I246 WeakPolarHBondContact OH-CD1 3.37Å; I246-T248 PolarHBondContact O-N 3.45Å; I246-V249 PolarHBondContact O-N 3.47Å; I246-Q250 VanDerWaalsContact O-CB 3.3Å; I246-Q250 WeakPolarHBondContact O-CB 3.38Å; I246-Q250 PolarHBondContact O-N 3.09Å; I246-F276 HydrophobicContact CG2-CD2 4.49Å; I246-F276 HydrophobicContact CG2-CE2 3.74Å; I246-Q363 HydrophobicContact CD1-CB 3.84Å; I246-Q363 WeakPolarHBondContact CD1-O 3.39Å; I246-Q363 HydrophobicContact CG2-CB 4.29Å; I246-F365 HydrophobicContact CG1-CE2 4.19Å; I246-F365 HydrophobicContact CG2-CE2 4.36Å; I246-F365 HydrophobicContact CG2-CZ 4.4Å
247A95.1Very high92.3Very high32 Ų3245.2 Ų45.226%0.26423%0.233SC..Hα-helixtrans-61.4-35.4-179.500000111V243 S244 D245 R251V243-A247 PolarHBondContact O-N 3.06Å; S244-A247 WeakPolarHBondContact O-CB 3.37Å; S244-A247 PolarHBondContact O-N 3.22Å; D245-A247 VanDerWaalsContact C-N 3.32Å; D245-A247 PolarHBondContact O-N 3.02Å; A247-R251 WeakPolarHBondContact O-CG 3.35Å; A247-R251 PolarHBondContact O-N 3.27Å
248T94.2Very high91.5Very high29 Ų2950.5 Ų50.518%0.17826%0.258CS..Hα-helixtrans-66.6-49.3173.9-58.90000111.8S244 D245 I246 Q250 R251 H252S244-T248 PolarHBondContact O-N 3.46Å; S244-T248 PolarHBondContact O-OG1 3.32Å; D245-T248 WeakPolarHBondContact O-CB 3.27Å; D245-T248 PolarHBondContact O-N 2.94Å; D245-T248 VanDerWaalsContact O-N 3.12Å; I246-T248 PolarHBondContact O-N 3.45Å; T248-Q250 VanDerWaalsContact C-N 3.29Å; T248-Q250 PolarHBondContact O-N 2.73Å; T248-R251 WeakPolarHBondContact O-CB 3.43Å; T248-R251 PolarHBondContact O-N 3.07Å; T248-R251 PolarHBondContact OG1-NH1 2.53Å; T248-R251 VanDerWaalsContact OG1-NH1 3.11Å; T248-H252 PolarHBondContact O-CD2 3.11Å; T248-H252 VanDerWaalsContact O-CD2 3.27Å; T248-H252 PolarHBondContact O-N 3.18Å
249V94.9Very high90.3Very high4 Ų454.5 Ų54.52%0.02427%0.268CS..Hα-helixtrans-62.7-36177.5177.30000111.9M204 L221 I225 L228 D245 I246 R251 H252 V253 F365M204-V249 HydrophobicContact CE-CG2 3.8Å; M204-V249 HydrophobicContact SD-CG2 4.17Å; L221-V249 HydrophobicContact CD1-CG1 4.04Å; I225-V249 HydrophobicContact CD1-CG1 3.96Å; I225-V249 HydrophobicContact CG1-CG1 3.38Å; L228-V249 HydrophobicContact CD2-CG2 4.13Å; D245-V249 WeakPolarHBondContact O-CG2 3.2Å; D245-V249 PolarHBondContact O-N 3.12Å; I246-V249 PolarHBondContact O-N 3.47Å; V249-R251 VanDerWaalsContact C-N 3.29Å; V249-R251 PolarHBondContact O-N 3.22Å; V249-H252 WeakPolarHBondContact O-CA 3.37Å; V249-H252 WeakPolarHBondContact O-CB 3.27Å; V249-H252 PolarHBondContact O-N 3.46Å; V249-V253 HydrophobicContact CG1-CG2 4.41Å; V249-V253 PolarHBondContact O-N 2.97Å; V249-F365 HydrophobicContact CB-CE2 4.27Å; V249-F365 HydrophobicContact CB-CZ 4.12Å; V249-F365 HydrophobicContact CG1-CE1 4.47Å; V249-F365 HydrophobicContact CG1-CE2 3.92Å; V249-F365 HydrophobicContact CG1-CZ 3.81Å
250Q95.1Very high89Confident66 Ų6651.7 Ų51.731%0.30826%0.256SS..Hα-helixtrans-61.7-34.9177-173.5-178.84.200112.4I246 T248 H252 V253 S254 F276 F365I246-Q250 VanDerWaalsContact O-CB 3.3Å; I246-Q250 WeakPolarHBondContact O-CB 3.38Å; I246-Q250 PolarHBondContact O-N 3.09Å; T248-Q250 VanDerWaalsContact C-N 3.29Å; T248-Q250 PolarHBondContact O-N 2.73Å; Q250-H252 VanDerWaalsContact C-N 3.32Å; Q250-V253 PolarHBondContact O-N 3.07Å; Q250-S254 WeakPolarHBondContact O-CB 3.4Å; Q250-S254 PolarHBondContact O-N 3.18Å; Q250-S254 PolarHBondContact O-OG 3.13Å; Q250-F276 HydrophobicContact CG-CB 4.4Å; Q250-F276 HydrophobicContact CG-CD2 4.28Å; Q250-F276 HydrophobicContact CG-CG 4.27Å; Q250-F365 HydrophobicContact CB-CE1 4.42Å; Q250-F365 HydrophobicContact CB-CZ 4.19Å
251R94.1Very high87.6Confident158 Ų15852.3 Ų52.360%0.59626%0.258SS*.Hα-helixtrans-61.9-42.5172.8-64.1173.6-161.8118.36.1110.7A247 T248 V249 S254 R255A247-R251 WeakPolarHBondContact O-CG 3.35Å; A247-R251 PolarHBondContact O-N 3.27Å; T248-R251 WeakPolarHBondContact O-CB 3.43Å; T248-R251 PolarHBondContact O-N 3.07Å; T248-R251 PolarHBondContact OG1-NH1 2.53Å; T248-R251 VanDerWaalsContact OG1-NH1 3.11Å; V249-R251 VanDerWaalsContact C-N 3.29Å; V249-R251 PolarHBondContact O-N 3.22Å; R251-S254 PolarHBondContact O-N 2.8Å; R251-R255 WeakPolarHBondContact O-CB 3.06Å; R251-R255 PolarHBondContact O-N 3.16Å
252H93.6Very high85.9Confident17 Ų1756.4 Ų56.48%0.07928%0.281CS..Hα-helixtrans-67.2-41.6176.4-67.1-75.1000112.6F207 W211 L221 T248 V249 Q250 S254 R255 H256F207-H252 HydrophobicContact CE1-CB 3.9Å; F207-H252 AromaticContact CE1-CG 3.61Å; F207-H252 AromaticContact CE1-ND1 3.68Å; F207-H252 HydrophobicContact CZ-CB 4.22Å; W211-H252 AromaticContact CD2-CE1 3.78Å; W211-H252 AromaticContact CE3-CE1 3.61Å; W211-H252 AromaticContact CZ3-CE1 3.89Å; L221-H252 HydrophobicContact CD1-CB 3.83Å; L221-H252 HydrophobicContact CD2-CB 4.48Å; T248-H252 PolarHBondContact O-CD2 3.11Å; T248-H252 VanDerWaalsContact O-CD2 3.27Å; T248-H252 PolarHBondContact O-N 3.18Å; V249-H252 WeakPolarHBondContact O-CA 3.37Å; V249-H252 WeakPolarHBondContact O-CB 3.27Å; V249-H252 PolarHBondContact O-N 3.46Å; Q250-H252 VanDerWaalsContact C-N 3.32Å; H252-S254 VanDerWaalsContact C-N 3.32Å; H252-S254 PolarHBondContact O-N 3.35Å; H252-R255 WeakPolarHBondContact O-CB 3.28Å; H252-R255 PolarHBondContact O-N 3.34Å; H252-H256 PolarHBondContact O-CD2 3.27Å; H252-H256 VanDerWaalsContact O-CD2 3.3Å; H252-H256 PolarHBondContact O-N 3.44Å
253V92.6Very high84.1Confident4 Ų462 Ų622%0.02431%0.307CS..Hα-helixtrans-59-45.5174.1172.90000110.9L221 I225 V249 Q250 R255 H256 N257 I274 F365L221-V253 HydrophobicContact CD1-CG2 4.42Å; L221-V253 HydrophobicContact CD2-CB 4.43Å; L221-V253 HydrophobicContact CD2-CG2 3.78Å; L221-V253 HydrophobicContact CG-CG2 4.3Å; I225-V253 HydrophobicContact CD1-CG2 4.09Å; V249-V253 HydrophobicContact CG1-CG2 4.41Å; V249-V253 PolarHBondContact O-N 2.97Å; Q250-V253 PolarHBondContact O-N 3.07Å; V253-R255 PolarHBondContact O-N 3.41Å; V253-H256 PolarHBondContact O-N 3.23Å; V253-N257 WeakPolarHBondContact O-CB 3.42Å; V253-N257 VanDerWaalsContact O-CG 3.3Å; V253-N257 PolarHBondContact O-N 2.95Å; V253-N257 PolarHBondContact O-ND2 3.32Å; V253-I274 HydrophobicContact CG1-CB 4.47Å; V253-I274 HydrophobicContact CG1-CG2 4.19Å; V253-I274 HydrophobicContact CG2-CG2 3.92Å; V253-F365 HydrophobicContact CB-CE1 4.31Å; V253-F365 HydrophobicContact CG2-CD1 3.97Å; V253-F365 HydrophobicContact CG2-CE1 3.67Å; V253-F365 HydrophobicContact CG2-CZ 4.48Å
254S91.4Very high82.1Confident66 Ų6670 Ų7046%0.46234%0.342SS..Hα-helixtrans-61.9-43.6178-54.90000111.6Q250 R251 H252 N257 H258Q250-S254 WeakPolarHBondContact O-CB 3.4Å; Q250-S254 PolarHBondContact O-N 3.18Å; Q250-S254 PolarHBondContact O-OG 3.13Å; R251-S254 PolarHBondContact O-N 2.8Å; H252-S254 VanDerWaalsContact C-N 3.32Å; H252-S254 PolarHBondContact O-N 3.35Å; S254-N257 PolarHBondContact O-N 3.48Å; S254-H258 PolarHBondContact O-N 3.06Å
255R90.7Very high79.8Confident73 Ų7370.5 Ų70.528%0.27534%0.34SS..Hα-helixtrans-59.6-47.9175-178.7-178.562.972.1-1.9112.4D216 R251 H252 V253 N257 H258 R259D216-R255 IonicContact OD2-CZ 3.47Å; D216-R255 IonicContact OD2-NH1 2.69Å; D216-R255 PolarHBondContact OD2-NH1 2.86Å; D216-R255 IonicContact OD2-NH2 3.8Å; D216-R255 PolarHBondContact OD2-NH2 2.65Å; R251-R255 WeakPolarHBondContact O-CB 3.06Å; R251-R255 PolarHBondContact O-N 3.16Å; H252-R255 WeakPolarHBondContact O-CB 3.28Å; H252-R255 PolarHBondContact O-N 3.34Å; V253-R255 PolarHBondContact O-N 3.41Å; R255-N257 VanDerWaalsContact C-N 3.29Å; R255-N257 PolarHBondContact O-N 2.86Å; R255-H258 PolarHBondContact O-N 3.32Å; R255-R259 PolarHBondContact O-N 3.1Å
256H84.9Confident77.7Confident2 Ų274.7 Ų74.71%0.00937%0.37CS..Hα-helixtrans-67.5-28.9178.5-86.8-84.5000113.1F207 D216 L221 H252 V253 N260F207-H256 AromaticContact CZ-NE2 3.97Å; D216-H256 PolarHBondContact O-CE1 3.46Å; D216-H256 IonicContact OD2-CE1 3.58Å; D216-H256 PolarHBondContact OD2-CE1 3.11Å; D216-H256 IonicContact OD2-NE2 3.83Å; D216-H256 PolarHBondContact OD2-NE2 3.24Å; L221-H256 HydrophobicContact CD2-CB 4.32Å; H252-H256 PolarHBondContact O-CD2 3.27Å; H252-H256 VanDerWaalsContact O-CD2 3.3Å; H252-H256 PolarHBondContact O-N 3.44Å; V253-H256 PolarHBondContact O-N 3.23Å; H256-N260 VanDerWaalsContact O-CG 3.28Å; H256-N260 PolarHBondContact O-ND2 2.97Å
257N82.3Confident75.4Confident46 Ų4682.2 Ų82.225%0.24641%0.409CS..Hα-helixtrans-73.3-42.9175.6-76.2-19.8000111.5V253 S254 R255 R259 N260 I274V253-N257 WeakPolarHBondContact O-CB 3.42Å; V253-N257 VanDerWaalsContact O-CG 3.3Å; V253-N257 PolarHBondContact O-N 2.95Å; V253-N257 PolarHBondContact O-ND2 3.32Å; S254-N257 PolarHBondContact O-N 3.48Å; R255-N257 VanDerWaalsContact C-N 3.29Å; R255-N257 PolarHBondContact O-N 2.86Å; N257-R259 VanDerWaalsContact C-N 3.34Å; N257-R259 PolarHBondContact O-N 3.15Å; N257-N260 WeakPolarHBondContact O-CB 3.07Å; N257-N260 PolarHBondContact O-N 3.4Å; N257-I274 PolarHBondContact ND2-O 3.44Å
258H76.9Confident73.3Confident115 Ų11582.4 Ų82.453%0.53241%0.409SS..Hα-helixtrans-61.1-41.5176.1-169.954.4000112.3S254 R255 N260 E261S254-H258 PolarHBondContact O-N 3.06Å; R255-H258 PolarHBondContact O-N 3.32Å; H258-N260 PolarHBondContact O-N 2.83Å; H258-E261 IonicContact ND1-OE2 3.4Å; H258-E261 PolarHBondContact O-N 2.66Å
259R65.4Low71.1Confident122 Ų12286.5 Ų86.546%0.4643%0.428SS..Hα-helixtrans-57.3-21.7174.6-163.2174.182.2-168.23.9113.6D216 R255 N257D216-R259 IonicContact OD2-NH1 3.25Å; R255-R259 PolarHBondContact O-N 3.1Å; N257-R259 VanDerWaalsContact C-N 3.34Å; N257-R259 PolarHBondContact O-N 3.15Å
260N63.3Low69.1Low46 Ų4693 Ų9325%0.24646%0.463CS..Hα-helixtrans-88.3-19.2177.5-54.1-50.6000113.6K218 H256 N257 H258 D262K218-N260 WeakPolarHBondContact CE-ND2 3.32Å; K218-N260 WeakPolarHBondContact CE-OD1 3.26Å; K218-N260 PolarHBondContact NZ-ND2 3.36Å; K218-N260 PolarHBondContact NZ-OD1 3.02Å; H256-N260 VanDerWaalsContact O-CG 3.28Å; H256-N260 PolarHBondContact O-ND2 2.97Å; N257-N260 WeakPolarHBondContact O-CB 3.07Å; N257-N260 PolarHBondContact O-N 3.4Å; H258-N260 PolarHBondContact O-N 2.83Å; N260-D262 VanDerWaalsContact C-N 3.29Å
261E61.6Low67.9Low151 Ų15192 Ų9271%0.70646%0.463SS*.Hα-helixtrans-76.1-24178-67.8177.8164.400111.3H258 E263H258-E261 IonicContact ND1-OE2 3.4Å; H258-E261 PolarHBondContact O-N 2.66Å; E261-E263 VanDerWaalsContact C-N 3.28Å; E261-E263 PolarHBondContact O-N 2.7Å
262D56.6Low67.4Low126 Ų12685 Ų8567%0.67444%0.437SS*.SBendtrans-73.2-17.8174.8-65.9-30000113.1N260N260-D262 VanDerWaalsContact C-N 3.29Å
263E55.1Low67.1Low119 Ų11992 Ų9256%0.55646%0.462SS*.SBendtrans-101.1134169.5-64.7-177.3177.200108.7E261 N265E261-E263 VanDerWaalsContact C-N 3.28Å; E261-E263 PolarHBondContact O-N 2.7Å; E263-N265 HydrophobicContact CB-CB 4Å; E263-N265 PolarHBondContact O-N 3.06Å
264E52Low67.1Low206 Ų20692 Ų9296%0.96346%0.463SS*.SBendtrans-6531.2174-67.9-165.4152.600113.6
265N47Very low67.1Low83 Ų8390.2 Ų90.244%0.44445%0.45SS..  trans-107.716.2-163.1-140.89.1000113.3E263 L267 S268E263-N265 HydrophobicContact CB-CB 4Å; E263-N265 PolarHBondContact O-N 3.06Å; N265-L267 PolarHBondContact O-N 3.42Å; N265-S268 PolarHBondContact O-N 3.07Å; N265-S268 VanDerWaalsContact O-N 3.15Å; N265-S268 PolarHBondContact O-OG 2.83Å; N265-S268 VanDerWaalsContact OD1-CB 3.27Å; N265-S268 WeakPolarHBondContact OD1-CB 3.3Å; N265-S268 PolarHBondContact OD1-OG 2.86Å
266S50.4Low67.3Low102 Ų10290 Ų9071%0.71345%0.451SS*.THydrogen-bonded Turntrans-63.3-8.6-178.3600000114.7
267L46.5Very low67.7Low159 Ų15990.9 Ų90.983%0.83246%0.455SS*.THydrogen-bonded Turntrans-116.67.2179.7-84.5134.8000114.2N265 I269N265-L267 PolarHBondContact O-N 3.42Å; L267-I269 PolarHBondContact O-N 3.09Å
268S50.3Low68.2Low36 Ų3693.6 Ų93.625%0.25246%0.463SS..  trans-69.1130.8179.456.80000112.2N265 D270 C271N265-S268 PolarHBondContact O-N 3.07Å; N265-S268 VanDerWaalsContact O-N 3.15Å; N265-S268 PolarHBondContact O-OG 2.83Å; N265-S268 VanDerWaalsContact OD1-CB 3.27Å; N265-S268 WeakPolarHBondContact OD1-CB 3.3Å; N265-S268 PolarHBondContact OD1-OG 2.86Å; S268-D270 PolarHBondContact O-N 2.97Å; S268-D270 VanDerWaalsContact O-N 3.1Å; S268-C271 PolarHBondContact O-N 3.47Å; S268-C271 PolarHBondContact O-SG 3.45Å; S268-C271 WeakPolarHBondContact OG-CB 3.43Å
269I47.8Very low69.1Low115 Ų11588.1 Ų88.159%0.5944%0.438SS*.THydrogen-bonded Turntrans-63-19-175.8-67.3164.7000112.3L267 F371L267-I269 PolarHBondContact O-N 3.09Å; I269-F371 HydrophobicContact CG1-CE2 4.15Å; I269-F371 HydrophobicContact CG1-CZ 4.21Å; I269-F371 HydrophobicContact CG2-CE2 4.1Å
270D53.9Low70.4Confident140 Ų14082.5 Ų82.575%0.74942%0.417SS*.THydrogen-bonded Turntrans-101.10.6-176.3-63-34.3000114.2S268 M272S268-D270 PolarHBondContact O-N 2.97Å; S268-D270 VanDerWaalsContact O-N 3.1Å; D270-M272 PolarHBondContact O-N 2.94Å
271C68.5Low71.8Confident46 Ų4682.6 Ų82.631%0.31141%0.413SS..  trans-79110.6-175.671.80000112S268 R273S268-C271 PolarHBondContact O-N 3.47Å; S268-C271 PolarHBondContact O-SG 3.45Å; S268-C271 WeakPolarHBondContact OG-CB 3.43Å; C271-R273 PolarHBondContact O-N 3.32Å
272M84Confident73.4Confident10 Ų1075.7 Ų75.75%0.04938%0.381CS..  trans-61.3127.8162.3-179.4-171.8-171.400109.3K218 D219 W222 D270 I274 V367 F369K218-M272 HydrophobicContact CB-SD 3.92Å; K218-M272 VanDerWaalsContact CD-O 3.3Å; K218-M272 WeakPolarHBondContact CD-O 3.19Å; K218-M272 PolarHBondContact NZ-O 3.49Å; D219-M272 VanDerWaalsContact OD1-SD 3.34Å; W222-M272 HydrophobicContact CB-CE 3.22Å; W222-M272 HydrophobicContact CD2-CE 4.27Å; W222-M272 HydrophobicContact CG-CE 3.42Å; W222-M272 VanDerWaalsContact CG-CE 3.42Å; D270-M272 PolarHBondContact O-N 2.94Å; M272-I274 HydrophobicContact CE-CD1 4.1Å; M272-I274 HydrophobicContact CE-CG1 4.22Å; M272-V367 HydrophobicContact CE-CG2 3.6Å; M272-V367 HydrophobicContact CG-CG2 3.72Å; M272-F369 HydrophobicContact CB-CD1 4.43Å; M272-F369 HydrophobicContact CB-CE1 4.49Å; M272-F369 HydrophobicContact CE-CE1 3.9Å; M272-F369 HydrophobicContact CE-CZ 4.25Å; M272-F369 HydrophobicContact CG-CD1 4.13Å; M272-F369 HydrophobicContact CG-CE1 3.81Å; M272-F369 HydrophobicContact SD-CE1 4.06Å
273R87.6Confident75.1Confident164 Ų16470.3 Ų70.362%0.61935%0.354SS*.EExtended strand (participates in β ladder)trans-120.6128.3174.9-172177.2-177.9176.81.6110.1C271 V367 H368C271-R273 PolarHBondContact O-N 3.32Å; R273-V367 WeakPolarHBondContact O-CA 3.34Å; R273-H368 PolarHBondContact N-O 3.36Å; R273-H368 PolarHBondContact O-N 3.05Å
274I92.1Very high77Confident5 Ų564.6 Ų64.63%0.02633%0.328CS..EExtended strand (participates in β ladder)trans-107.3125.4175.8-57.1170.8000107.6K218 L221 W222 I225 V253 N257 M272 F365 G366 V367K218-I274 WeakPolarHBondContact O-CD1 3.45Å; L221-I274 HydrophobicContact CB-CD1 4.37Å; L221-I274 HydrophobicContact CD2-CD1 4.2Å; L221-I274 HydrophobicContact CG-CD1 4.2Å; W222-I274 HydrophobicContact CB-CD1 3.93Å; W222-I274 HydrophobicContact CE3-CD1 4.45Å; W222-I274 HydrophobicContact CE3-CG1 4.4Å; W222-I274 HydrophobicContact CE3-CG2 4.32Å; I225-I274 HydrophobicContact CD1-CG2 3.72Å; V253-I274 HydrophobicContact CG1-CB 4.47Å; V253-I274 HydrophobicContact CG1-CG2 4.19Å; V253-I274 HydrophobicContact CG2-CG2 3.92Å; N257-I274 PolarHBondContact ND2-O 3.44Å; M272-I274 HydrophobicContact CE-CD1 4.1Å; M272-I274 HydrophobicContact CE-CG1 4.22Å; I274-F365 HydrophobicContact CG2-CB 4.41Å; I274-F365 HydrophobicContact CG2-CD1 4.31Å; I274-G366 WeakPolarHBondContact CA-O 3.44Å; I274-V367 HydrophobicContact CG1-CG2 4.3Å
275S92.9Very high79Confident28 Ų2855 Ų5520%0.19628%0.283CS..EExtended strand (participates in β ladder)trans-115.4135.8177.231.90000109.8E277 F365 G366S275-E277 PolarHBondContact OG-OE1 3.34Å; S275-F365 CarbonylContact O-C 3.6Å; S275-F365 VanDerWaalsContact O-CA 3.26Å; S275-F365 WeakPolarHBondContact O-CA 3.29Å; S275-G366 PolarHBondContact N-O 3.07Å; S275-G366 PolarHBondContact O-N 3.3Å; S275-G366 PolarHBondContact OG-O 3.15Å
276F94.9Very high81.2Confident68 Ų6851.9 Ų51.930%0.29827%0.265SS..EExtended strand (participates in β ladder)trans-72.6130.1161.7175.6-101.2000108.5I246 Q250 Q363 F365I246-F276 HydrophobicContact CG2-CD2 4.49Å; I246-F276 HydrophobicContact CG2-CE2 3.74Å; Q250-F276 HydrophobicContact CG-CB 4.4Å; Q250-F276 HydrophobicContact CG-CD2 4.28Å; Q250-F276 HydrophobicContact CG-CG 4.27Å; F276-Q363 HydrophobicContact CE2-CB 4Å; F276-Q363 HydrophobicContact CZ-CB 3.98Å; F276-Q363 HydrophobicContact CZ-CG 4.02Å; F276-F365 HydrophobicContact CB-CD1 4.08Å; F276-F365 HydrophobicContact CB-CE1 3.89Å; F276-F365 HydrophobicContact CD2-CD1 4.2Å; F276-F365 AromaticContact CD2-CE1 3.69Å; F276-F365 HydrophobicContact CD2-CE1 3.69Å; F276-F365 AromaticContact CD2-CZ 3.87Å; F276-F365 HydrophobicContact CD2-CZ 3.87Å; F276-F365 HydrophobicContact CG-CE1 4.29Å
277E93.1Very high83.2Confident21 Ų2147.8 Ų47.810%0.09824%0.235CC..EExtended strand (participates in β ladder)trans-132.7130.7-175.2-60.9-167.5-152.100110.4S275 D279 R345 T364 H368S275-E277 PolarHBondContact OG-OE1 3.34Å; E277-D279 HydrophobicContact CB-CB 4.34Å; E277-D279 PolarHBondContact O-N 2.92Å; E277-R345 IonicContact OE2-CZ 3.72Å; E277-R345 IonicContact OE2-NH1 3.53Å; E277-R345 IonicContact OE2-NH2 3.24Å; E277-R345 PolarHBondContact OE2-NH2 2.96Å; E277-T364 PolarHBondContact N-O 3.19Å; E277-T364 CarbonylContact O-C 3.49Å; E277-T364 PolarHBondContact O-N 2.91Å; E277-H368 IonicContact OE1-CE1 2.67Å
278Y93.3Very high85.5Confident104 Ų10440.6 Ų40.641%0.40820%0.197SC..EExtended strand (participates in β ladder)trans-90.690.6166-169.6-123.8000107.5R361 I362 Q363Y278-R361 HydrophobicContact CD1-CB 3.98Å; Y278-R361 HydrophobicContact CD1-CG 4.28Å; Y278-R361 HydrophobicContact CD2-CB 4.36Å; Y278-R361 HydrophobicContact CE1-CB 3.35Å; Y278-R361 HydrophobicContact CE1-CG 3.76Å; Y278-R361 HydrophobicContact CE2-CB 3.79Å; Y278-R361 HydrophobicContact CG-CB 4.45Å; Y278-R361 VanDerWaalsContact O-CZ 3.29Å; Y278-R361 PolarHBondContact O-NE 3.44Å; Y278-R361 PolarHBondContact O-NH2 3.18Å; Y278-R361 WeakPolarHBondContact OH-CB 3.44Å; Y278-I362 CarbonylContact C-O 3.56Å; Y278-I362 WeakPolarHBondContact CA-O 3.38Å; Y278-Q363 HydrophobicContact CD2-CG 3.91Å; Y278-Q363 HydrophobicContact CE2-CG 4.17Å
279D94.1Very high87.7Confident0 Ų039.1 Ų39.10%019%0.186CC..EExtended strand (participates in β ladder)trans-116178-165.2-143.6-24.5000113.4E277 Y285 R345 R361 I362 T364E277-D279 HydrophobicContact CB-CB 4.34Å; E277-D279 PolarHBondContact O-N 2.92Å; D279-Y285 PolarHBondContact OD1-OH 3.44Å; D279-Y285 PolarHBondContact OD2-OH 3.18Å; D279-R345 IonicContact OD1-CZ 3.77Å; D279-R345 IonicContact OD1-NE 2.88Å; D279-R345 PolarHBondContact OD1-NE 2.98Å; D279-R345 IonicContact OD1-NH2 3.77Å; D279-R345 IonicContact OD2-CZ 2.91Å; D279-R345 IonicContact OD2-NE 3.92Å; D279-R345 PolarHBondContact OD2-NE 3.02Å; D279-R345 IonicContact OD2-NH2 3.38Å; D279-R345 PolarHBondContact OD2-NH2 3.34Å; D279-R361 CarbonylContact O-C 3.6Å; D279-R361 VanDerWaalsContact O-CA 3.24Å; D279-R361 WeakPolarHBondContact O-CA 3.44Å; D279-I362 PolarHBondContact N-O 3.29Å; D279-I362 WeakPolarHBondContact O-CG1 3.37Å; D279-I362 PolarHBondContact O-N 3.21Å; D279-T364 HydrophobicContact CB-CG2 3.78Å
280L93.3Very high89.9Confident4 Ų433.6 Ų33.62%0.02116%0.158CC..EExtended strand (participates in β ladder)trans-78.5139.3-176.4-61.8169.4000111.8L282 Y285 R345 I348 I360L280-L282 HydrophobicContact CB-CB 4.36Å; L280-L282 HydrophobicContact CB-CD1 4.27Å; L280-L282 HydrophobicContact CB-CG 4.15Å; L280-L282 HydrophobicContact CD1-CD1 4.2Å; L280-L282 PolarHBondContact O-N 3.13Å; L280-Y285 HydrophobicContact CB-CE1 4.14Å; L280-R345 HydrophobicContact CD1-CG 4.4Å; L280-R345 HydrophobicContact CG-CG 4.31Å; L280-I348 HydrophobicContact CD1-CD1 3.59Å; L280-I348 HydrophobicContact CD2-CB 3.93Å; L280-I348 HydrophobicContact CD2-CD1 4.44Å; L280-I348 HydrophobicContact CD2-CG2 3.69Å; L280-I360 CarbonylContact C-O 3.5Å; L280-I360 WeakPolarHBondContact CA-O 3.3Å; L280-I360 HydrophobicContact CD2-CG1 4.41Å
281R93.1Very high91.8Very high47 Ų4730.5 Ų30.518%0.17714%0.137CC..  trans-77.752172.1-161.3-178.7-169.4173.515111.8W232 Y298 D359 I360 I362W232-R281 HydrophobicContact CH2-CG 4.25Å; R281-Y298 PolarHBondContact NH2-OH 3.04Å; R281-D359 WeakPolarHBondContact CD-O 3.25Å; R281-I360 WeakPolarHBondContact CB-O 3.31Å; R281-I360 PolarHBondContact N-O 3.02Å; R281-I362 HydrophobicContact CB-CG2 3.91Å; R281-I362 HydrophobicContact CG-CG2 3.97Å
282L94.4Very high93Very high6 Ų632.3 Ų32.33%0.03114%0.14CC..  trans-119.5124-178.8-67.6-178.4000109.8L280 L284 Y285 L290 S293 I294 S297 T300 I348 I360L280-L282 HydrophobicContact CB-CB 4.36Å; L280-L282 HydrophobicContact CB-CD1 4.27Å; L280-L282 HydrophobicContact CB-CG 4.15Å; L280-L282 HydrophobicContact CD1-CD1 4.2Å; L280-L282 PolarHBondContact O-N 3.13Å; L282-L284 PolarHBondContact O-N 3.22Å; L282-Y285 HydrophobicContact CB-CD1 3.81Å; L282-Y285 HydrophobicContact CB-CG 4.18Å; L282-Y285 WeakPolarHBondContact O-CD1 3.49Å; L282-L290 HydrophobicContact CD1-CD1 4Å; L282-S293 WeakPolarHBondContact CB-OG 3.41Å; L282-I294 HydrophobicContact CD1-CG1 4.08Å; L282-I294 HydrophobicContact CD2-CG1 4.04Å; L282-S297 WeakPolarHBondContact CA-OG 3.47Å; L282-T300 HydrophobicContact CD2-CG2 3.7Å; L282-I348 HydrophobicContact CD1-CD1 4.27Å; L282-I360 HydrophobicContact CD2-CD1 4.49Å
283A93.6Very high93.6Very high13 Ų1331.8 Ų31.811%0.10714%0.138CC..THydrogen-bonded Turntrans-70.2125.9-178.700000110.9Y285 W288 S293 S297 L428A283-Y285 PolarHBondContact O-N 3.04Å; A283-W288 PolarHBondContact O-NE1 3.44Å; A283-W288 VanDerWaalsContact O-NE1 3.09Å; A283-S293 PolarHBondContact O-OG 3.02Å; A283-S297 PolarHBondContact N-OG 3.48Å; A283-L428 HydrophobicContact CB-CD1 3.81Å
284L94.8Very high93.9Very high0 Ų024.2 Ų24.20%011%0.11CC..THydrogen-bonded Turntrans5623.8171.9-54.5177.3000114.4L282 H286 H287 W288 D379 H382 A424 K425 L428L282-L284 PolarHBondContact O-N 3.22Å; L284-H286 PolarHBondContact O-N 3.34Å; L284-H286 VanDerWaalsContact O-N 3.08Å; L284-H287 HydrophobicContact CB-CB 4.45Å; L284-H287 PolarHBondContact O-N 2.91Å; L284-W288 HydrophobicContact CB-CZ2 4.43Å; L284-W288 PolarHBondContact O-NE1 3.27Å; L284-W288 VanDerWaalsContact O-NE1 3.15Å; L284-D379 WeakPolarHBondContact CA-OD1 3.45Å; L284-D379 HydrophobicContact CD2-CB 3.92Å; L284-D379 PolarHBondContact N-OD1 2.79Å; L284-H382 HydrophobicContact CD2-CB 4.16Å; L284-A424 HydrophobicContact CD1-CB 3.88Å; L284-K425 HydrophobicContact CD1-CG 3.88Å; L284-L428 HydrophobicContact CD1-CD1 3.89Å; L284-L428 HydrophobicContact CG-CD1 4.34Å
285Y94.1Very high94Very high3 Ų324.8 Ų24.81%0.01211%0.114CC..THydrogen-bonded Turntrans-62.3-24.1-171.779.4-93.5000112.7D279 L280 L282 A283 H287 S293 F333 L376D279-Y285 PolarHBondContact OD1-OH 3.44Å; D279-Y285 PolarHBondContact OD2-OH 3.18Å; L280-Y285 HydrophobicContact CB-CE1 4.14Å; L282-Y285 HydrophobicContact CB-CD1 3.81Å; L282-Y285 HydrophobicContact CB-CG 4.18Å; L282-Y285 WeakPolarHBondContact O-CD1 3.49Å; A283-Y285 PolarHBondContact O-N 3.04Å; Y285-H287 VanDerWaalsContact C-N 3.28Å; Y285-H287 PolarHBondContact O-N 3.43Å; Y285-S293 WeakPolarHBondContact CA-OG 3.31Å; Y285-S293 WeakPolarHBondContact CB-OG 3.29Å; Y285-F333 HydrophobicContact CD2-CD2 4.07Å; Y285-F333 HydrophobicContact CD2-CE2 4.05Å; Y285-F333 HydrophobicContact CD2-CZ 4.49Å; Y285-F333 HydrophobicContact CE2-CD2 4.39Å; Y285-F333 AromaticContact CE2-CE2 3.92Å; Y285-F333 HydrophobicContact CE2-CE2 3.92Å; Y285-F333 HydrophobicContact CE2-CZ 4.04Å; Y285-F333 WeakPolarHBondContact O-CB 3.39Å; Y285-F333 WeakPolarHBondContact O-CG 3.43Å; Y285-L376 HydrophobicContact CD1-CD1 4.42Å; Y285-L376 HydrophobicContact CE1-CD1 3.6Å
286H92.2Very high94.1Very high18 Ų1824.1 Ų24.18%0.08311%0.108CC..THydrogen-bonded Turntrans-69.3-17.6171.3-70.7162.6000114.9L284 F333L284-H286 PolarHBondContact O-N 3.34Å; L284-H286 VanDerWaalsContact O-N 3.08Å; H286-F333 HydrophobicContact CB-CD1 4.37Å; H286-F333 AromaticContact CD2-CD1 3.65Å; H286-F333 AromaticContact CD2-CE1 3.24Å; H286-F333 WeakPolarHBondContact CD2-CE1 3.32Å; H286-F333 AromaticContact CD2-CZ 3.65Å; H286-F333 AromaticContact NE2-CE1 3.84Å; H286-F333 AromaticContact NE2-CZ 3.95Å
287H93Very high94Very high16 Ų1621 Ų217%0.07410%0.095CC..THydrogen-bonded Turntrans-113.7-4.9-166.9-59.7-69.9000115.2L284 Y285 F375 D379 I421 K425L284-H287 HydrophobicContact CB-CB 4.45Å; L284-H287 PolarHBondContact O-N 2.91Å; Y285-H287 VanDerWaalsContact C-N 3.28Å; Y285-H287 PolarHBondContact O-N 3.43Å; H287-F375 AromaticContact CE1-CD1 3.39Å; H287-F375 WeakPolarHBondContact CE1-CD1 3.43Å; H287-F375 AromaticContact CE1-CE1 3.5Å; H287-F375 AromaticContact NE2-CD1 3.63Å; H287-D379 IonicContact CD2-OD2 3.34Å; H287-D379 IonicContact NE2-OD2 3.83Å; H287-D379 PolarHBondContact NE2-OD2 3.39Å; H287-I421 HydrophobicContact CB-CG2 3.72Å; H287-K425 VanDerWaalsContact O-CE 3.31Å; H287-K425 WeakPolarHBondContact O-CE 3.46Å; H287-K425 PolarHBondContact O-NZ 2.95Å
288W95.3Very high93.8Very high8 Ų822.8 Ų22.83%0.0310%0.101CC..SBendtrans-147.7-161.3175.158.8-1.3000111.3A283 L284 E292 S293 N296 F333 K425 L428 I429A283-W288 PolarHBondContact O-NE1 3.44Å; A283-W288 VanDerWaalsContact O-NE1 3.09Å; L284-W288 HydrophobicContact CB-CZ2 4.43Å; L284-W288 PolarHBondContact O-NE1 3.27Å; L284-W288 VanDerWaalsContact O-NE1 3.15Å; W288-E292 HydrophobicContact CD2-CB 3.75Å; W288-E292 HydrophobicContact CE3-CB 3.76Å; W288-E292 HydrophobicContact CG-CB 4.14Å; W288-E292 HydrophobicContact CZ3-CB 4.27Å; W288-S293 VanDerWaalsContact NE1-CA 3.33Å; W288-N296 HydrophobicContact CH2-CB 3.56Å; W288-N296 WeakPolarHBondContact CH2-ND2 3.4Å; W288-N296 HydrophobicContact CZ2-CB 3.93Å; W288-N296 WeakPolarHBondContact CZ3-ND2 3.17Å; W288-F333 PolarHBondContact O-N 3.01Å; W288-K425 HydrophobicContact CB-CD 4.41Å; W288-K425 HydrophobicContact CD2-CD 4.37Å; W288-K425 HydrophobicContact CD2-CG 4.13Å; W288-K425 HydrophobicContact CE3-CB 4Å; W288-K425 HydrophobicContact CE3-CD 3.9Å; W288-K425 HydrophobicContact CE3-CG 3.6Å; W288-K425 HydrophobicContact CH2-CB 4.48Å; W288-K425 HydrophobicContact CH2-CG 4.38Å; W288-K425 HydrophobicContact CZ3-CB 3.74Å; W288-K425 HydrophobicContact CZ3-CD 4.48Å; W288-K425 HydrophobicContact CZ3-CG 3.74Å; W288-L428 HydrophobicContact CH2-CB 4.35Å; W288-L428 HydrophobicContact CH2-CD1 4.31Å; W288-L428 HydrophobicContact CZ2-CD1 4.4Å; W288-I429 HydrophobicContact CZ3-CD1 4.11Å; W288-I429 HydrophobicContact CZ3-CG1 4.16Å
289S95.1Very high93.7Very high5 Ų519.2 Ų19.24%0.0359%0.087CC..BIsolated β-bridgetrans-75.3151.7177.267.60000111.7Y291 E292 S293 K330 Q331S289-Y291 PolarHBondContact O-N 3.44Å; S289-E292 WeakPolarHBondContact CB-OE2 3.49Å; S289-E292 PolarHBondContact N-OE2 3.36Å; S289-E292 PolarHBondContact O-N 3.3Å; S289-E292 VanDerWaalsContact OG-CB 3.32Å; S289-E292 WeakPolarHBondContact OG-CB 3.5Å; S289-E292 WeakPolarHBondContact OG-CG 3.49Å; S289-E292 PolarHBondContact OG-N 3.49Å; S289-E292 VanDerWaalsContact OG-N 3.14Å; S289-E292 PolarHBondContact OG-OE2 2.91Å; S289-S293 PolarHBondContact O-N 3.27Å; S289-K330 WeakPolarHBondContact CB-O 3.21Å; S289-Q331 WeakPolarHBondContact CA-O 3.27Å; S289-Q331 WeakPolarHBondContact CB-O 3.1Å
290L94Very high93.6Very high0 Ų019.4 Ų19.40%09%0.089CC..Hα-helixtrans-60.1-38.4174.8179.562.4000110.8L282 S293 I294 M322 L324 V329 M336 L344 I348L282-L290 HydrophobicContact CD1-CD1 4Å; L290-S293 PolarHBondContact O-N 3.17Å; L290-I294 HydrophobicContact CD1-CD1 4.01Å; L290-I294 HydrophobicContact CD1-CG1 4.26Å; L290-I294 HydrophobicContact CG-CD1 3.86Å; L290-I294 HydrophobicContact CG-CG1 4.5Å; L290-I294 WeakPolarHBondContact O-CG1 3.43Å; L290-I294 PolarHBondContact O-N 3.35Å; L290-M322 HydrophobicContact CD2-CE 4.19Å; L290-L324 HydrophobicContact CD2-CD1 4.08Å; L290-V329 PolarHBondContact N-O 3.04Å; L290-M336 HydrophobicContact CB-CE 4.32Å; L290-M336 HydrophobicContact CD2-CE 4.47Å; L290-L344 HydrophobicContact CD1-CD2 4.42Å; L290-L344 HydrophobicContact CD2-CD1 3.91Å; L290-L344 HydrophobicContact CD2-CD2 4.48Å; L290-I348 HydrophobicContact CD1-CD1 4.07Å
291Y94.1Very high93.6Very high75 Ų7519.2 Ų19.229%0.2949%0.088SC..Hα-helixtrans-57.4-52.4175.3-177.2-101.5000112.5S289 S293 I294 C295 L315 L319 V329S289-Y291 PolarHBondContact O-N 3.44Å; Y291-S293 VanDerWaalsContact C-N 3.29Å; Y291-S293 PolarHBondContact O-N 2.84Å; Y291-I294 PolarHBondContact O-N 2.94Å; Y291-C295 VanDerWaalsContact CZ-SG 3.55Å; Y291-C295 WeakPolarHBondContact O-CB 3.46Å; Y291-C295 PolarHBondContact O-N 3.43Å; Y291-C295 PolarHBondContact O-SG 3.11Å; Y291-L315 HydrophobicContact CE2-CD2 3.93Å; Y291-L319 HydrophobicContact CD2-CD1 3.99Å; Y291-L319 HydrophobicContact CE2-CD1 4.34Å; Y291-V329 PolarHBondContact N-O 3.32Å; Y291-V329 VanDerWaalsContact N-O 3.15Å
292E94.5Very high93.5Very high83 Ų8317.1 Ų17.139%0.3888%0.08SC..Hα-helixtrans-62.8-39.5-179.8-73162151.600111.1W288 S289 C295 N296W288-E292 HydrophobicContact CD2-CB 3.75Å; W288-E292 HydrophobicContact CE3-CB 3.76Å; W288-E292 HydrophobicContact CG-CB 4.14Å; W288-E292 HydrophobicContact CZ3-CB 4.27Å; S289-E292 WeakPolarHBondContact CB-OE2 3.49Å; S289-E292 PolarHBondContact N-OE2 3.36Å; S289-E292 PolarHBondContact O-N 3.3Å; S289-E292 VanDerWaalsContact OG-CB 3.32Å; S289-E292 WeakPolarHBondContact OG-CB 3.5Å; S289-E292 WeakPolarHBondContact OG-CG 3.49Å; S289-E292 PolarHBondContact OG-N 3.49Å; S289-E292 VanDerWaalsContact OG-N 3.14Å; S289-E292 PolarHBondContact OG-OE2 2.91Å; E292-C295 PolarHBondContact O-N 3.18Å; E292-N296 WeakPolarHBondContact O-CB 3.4Å; E292-N296 PolarHBondContact O-N 3.01Å; E292-N296 PolarHBondContact O-ND2 3.41Å
293S96.1Very high93.3Very high0 Ų018.7 Ų18.70%09%0.092CC..Hα-helixtrans-60.8-49.4175.9-168.50000112.2L282 A283 Y285 W288 S289 L290 Y291 C295 N296 S297L282-S293 WeakPolarHBondContact CB-OG 3.41Å; A283-S293 PolarHBondContact O-OG 3.02Å; Y285-S293 WeakPolarHBondContact CA-OG 3.31Å; Y285-S293 WeakPolarHBondContact CB-OG 3.29Å; W288-S293 VanDerWaalsContact NE1-CA 3.33Å; S289-S293 PolarHBondContact O-N 3.27Å; L290-S293 PolarHBondContact O-N 3.17Å; Y291-S293 VanDerWaalsContact C-N 3.29Å; Y291-S293 PolarHBondContact O-N 2.84Å; S293-C295 PolarHBondContact O-N 2.96Å; S293-N296 PolarHBondContact O-N 3.21Å; S293-S297 VanDerWaalsContact O-CB 3.26Å; S293-S297 WeakPolarHBondContact O-CB 3.2Å; S293-S297 PolarHBondContact O-N 3.2Å; S293-S297 PolarHBondContact O-OG 2.75Å
294I94.4Very high93.2Very high4 Ų418.5 Ų18.52%0.0219%0.088CC..Hα-helixtrans-62.1-35.2177.9-65.3166.1000111.2L282 L290 Y291 T300 L315 F318 L319L282-I294 HydrophobicContact CD1-CG1 4.08Å; L282-I294 HydrophobicContact CD2-CG1 4.04Å; L290-I294 HydrophobicContact CD1-CD1 4.01Å; L290-I294 HydrophobicContact CD1-CG1 4.26Å; L290-I294 HydrophobicContact CG-CD1 3.86Å; L290-I294 HydrophobicContact CG-CG1 4.5Å; L290-I294 WeakPolarHBondContact O-CG1 3.43Å; L290-I294 PolarHBondContact O-N 3.35Å; Y291-I294 PolarHBondContact O-N 2.94Å; I294-T300 HydrophobicContact CG2-CG2 4.43Å; I294-T300 PolarHBondContact O-OG1 2.96Å; I294-L315 HydrophobicContact CG2-CD1 3.54Å; I294-F318 HydrophobicContact CD1-CE1 4.36Å; I294-L319 HydrophobicContact CD1-CD2 4.2Å
295C93.9Very high93.1Very high18 Ų1822 Ų2212%0.12210%0.104CC..Hα-helixtrans-72-31.9-179.3-68.80000114.1Y291 E292 S293 L306 Q432Y291-C295 VanDerWaalsContact CZ-SG 3.55Å; Y291-C295 WeakPolarHBondContact O-CB 3.46Å; Y291-C295 PolarHBondContact O-N 3.43Å; Y291-C295 PolarHBondContact O-SG 3.11Å; E292-C295 PolarHBondContact O-N 3.18Å; S293-C295 PolarHBondContact O-N 2.96Å; C295-L306 HydrophobicContact CB-CD1 4.28Å; C295-Q432 PolarHBondContact O-NE2 3.16Å
296N94.6Very high93.1Very high13 Ų1322.5 Ų22.57%0.0711%0.106CC..Hα-helixtrans-106.6-7.9-173-63.3-53.5000113.4W288 E292 S293 L428W288-N296 HydrophobicContact CH2-CB 3.56Å; W288-N296 WeakPolarHBondContact CH2-ND2 3.4Å; W288-N296 HydrophobicContact CZ2-CB 3.93Å; W288-N296 WeakPolarHBondContact CZ3-ND2 3.17Å; E292-N296 WeakPolarHBondContact O-CB 3.4Å; E292-N296 PolarHBondContact O-N 3.01Å; E292-N296 PolarHBondContact O-ND2 3.41Å; S293-N296 PolarHBondContact O-N 3.21Å; N296-L428 HydrophobicContact CB-CB 4.26Å
297S93.7Very high93Very high4 Ų422.9 Ų22.93%0.02811%0.107CC..  trans-75.8126.9174-610000110.3L282 A283 S293 Y299 T300 A301L282-S297 WeakPolarHBondContact CA-OG 3.47Å; A283-S297 PolarHBondContact N-OG 3.48Å; S293-S297 VanDerWaalsContact O-CB 3.26Å; S293-S297 WeakPolarHBondContact O-CB 3.2Å; S293-S297 PolarHBondContact O-N 3.2Å; S293-S297 PolarHBondContact O-OG 2.75Å; S297-Y299 VanDerWaalsContact C-N 3.27Å; S297-Y299 PolarHBondContact O-N 2.74Å; S297-T300 WeakPolarHBondContact CB-OG1 3.38Å; S297-T300 PolarHBondContact O-N 3.19Å; S297-T300 PolarHBondContact O-OG1 2.95Å; S297-A301 WeakPolarHBondContact O-CB 3.49Å; S297-A301 PolarHBondContact O-N 3.5Å
298Y88Confident93Very high57 Ų5724.5 Ų24.522%0.22412%0.118CC..Hα-helixtrans-57.2-40.1-172.587.5-99.1000112.9R281 C302 K480R281-Y298 PolarHBondContact NH2-OH 3.04Å; Y298-C302 VanDerWaalsContact O-CB 3.31Å; Y298-C302 WeakPolarHBondContact O-CB 3.43Å; Y298-C302 PolarHBondContact O-N 3.41Å; Y298-C302 PolarHBondContact O-SG 3.46Å; Y298-K480 HydrophobicContact CD2-CD 3.71Å; Y298-K480 HydrophobicContact CE2-CD 3.55Å; Y298-K480 VanDerWaalsContact CE2-NZ 3.29Å; Y298-K480 PolarHBondContact OH-NZ 3.44Å
299Y91.1Very high92.8Very high30 Ų3030.6 Ų30.612%0.11815%0.151CC..Hα-helixtrans-67-52.9-174.6-179.7-105.2000112.2S297 S303 M357 K358 D359 I360S297-Y299 VanDerWaalsContact C-N 3.27Å; S297-Y299 PolarHBondContact O-N 2.74Å; Y299-S303 WeakPolarHBondContact O-CB 3.41Å; Y299-S303 PolarHBondContact O-N 3.16Å; Y299-S303 PolarHBondContact O-OG 3.34Å; Y299-M357 HydrophobicContact CE1-CB 4.08Å; Y299-M357 HydrophobicContact CE1-CG 4.38Å; Y299-K358 PolarHBondContact OH-N 3.17Å; Y299-D359 HydrophobicContact CE2-CB 4.3Å; Y299-D359 PolarHBondContact OH-N 3.09Å; Y299-I360 HydrophobicContact CD1-CD1 4.01Å; Y299-I360 HydrophobicContact CE1-CB 4.42Å; Y299-I360 HydrophobicContact CE1-CD1 4.19Å
300T92.7Very high92.7Very high4 Ų438.6 Ų38.63%0.02519%0.185CC..Hα-helixtrans-68.5-42.3179.847.90000111.4L282 I294 S297 C302 S303 F304 M357 I360L282-T300 HydrophobicContact CD2-CG2 3.7Å; I294-T300 HydrophobicContact CG2-CG2 4.43Å; I294-T300 PolarHBondContact O-OG1 2.96Å; S297-T300 WeakPolarHBondContact CB-OG1 3.38Å; S297-T300 PolarHBondContact O-N 3.19Å; S297-T300 PolarHBondContact O-OG1 2.95Å; T300-C302 VanDerWaalsContact C-N 3.31Å; T300-C302 PolarHBondContact O-N 3.38Å; T300-S303 PolarHBondContact O-N 3.37Å; T300-F304 VanDerWaalsContact O-CD2 3.22Å; T300-F304 WeakPolarHBondContact O-CD2 3.47Å; T300-F304 PolarHBondContact O-N 2.79Å; T300-M357 HydrophobicContact CG2-SD 4.4Å; T300-I360 HydrophobicContact CG2-CD1 3.81Å
301A92.8Very high92.6Very high0 Ų038.7 Ų38.70%019%0.186CC..Hα-helixtrans-62.5-39.4-178.900000113.1S297 K305 L306 W307 Y477S297-A301 WeakPolarHBondContact O-CB 3.49Å; S297-A301 PolarHBondContact O-N 3.5Å; A301-K305 WeakPolarHBondContact O-CA 3.27Å; A301-K305 PolarHBondContact O-N 3.3Å; A301-K305 VanDerWaalsContact O-N 3.08Å; A301-L306 HydrophobicContact CB-CD1 3.88Å; A301-L306 HydrophobicContact CB-CG 4.4Å; A301-L306 PolarHBondContact O-N 3.45Å; A301-W307 WeakPolarHBondContact O-CZ3 3.41Å; A301-Y477 HydrophobicContact CB-CE2 4.5Å; A301-Y477 WeakPolarHBondContact CB-OH 3.35Å
302C91.1Very high92.5Very high2 Ų239.8 Ų39.81%0.01419%0.194CC..Hα-helixtrans-63.8-55.1171.6-68.70000110.5Y298 T300 F304 K305 W307 Q484Y298-C302 VanDerWaalsContact O-CB 3.31Å; Y298-C302 WeakPolarHBondContact O-CB 3.43Å; Y298-C302 PolarHBondContact O-N 3.41Å; Y298-C302 PolarHBondContact O-SG 3.46Å; T300-C302 VanDerWaalsContact C-N 3.31Å; T300-C302 PolarHBondContact O-N 3.38Å; C302-F304 VanDerWaalsContact C-N 3.28Å; C302-F304 PolarHBondContact O-N 3.37Å; C302-K305 WeakPolarHBondContact O-CA 3.3Å; C302-K305 WeakPolarHBondContact O-CG 3.45Å; C302-K305 PolarHBondContact O-N 2.84Å; C302-W307 HydrophobicContact CB-CH2 4.38Å; C302-Q484 PolarHBondContact O-OE1 2.85Å
303S90.6Very high92.5Very high40 Ų4042.7 Ų42.728%0.2821%0.205SC..Hα-helixtrans-56.3-40.8-173.7-58.50000112.9Y299 T300Y299-S303 WeakPolarHBondContact O-CB 3.41Å; Y299-S303 PolarHBondContact O-N 3.16Å; Y299-S303 PolarHBondContact O-OG 3.34Å; T300-S303 PolarHBondContact O-N 3.37Å
304F92Very high92.4Very high8 Ų848 Ų484%0.03523%0.228CC..Hα-helixtrans-82-16.3175.3-71.1-66000114T300 C302 L306 G311 K314 L315 F318 Y355 M357T300-F304 VanDerWaalsContact O-CD2 3.22Å; T300-F304 WeakPolarHBondContact O-CD2 3.47Å; T300-F304 PolarHBondContact O-N 2.79Å; C302-F304 VanDerWaalsContact C-N 3.28Å; C302-F304 PolarHBondContact O-N 3.37Å; F304-L306 HydrophobicContact CB-CD2 3.52Å; F304-L306 HydrophobicContact CB-CG 3.98Å; F304-L306 HydrophobicContact CG-CD2 4.39Å; F304-G311 WeakPolarHBondContact O-CA 3.48Å; F304-K314 HydrophobicContact CD1-CB 4.17Å; F304-L315 HydrophobicContact CD2-CD1 4.42Å; F304-L315 HydrophobicContact CE2-CD1 4.41Å; F304-F318 HydrophobicContact CE1-CB 3.89Å; F304-F318 HydrophobicContact CE1-CD2 4.36Å; F304-F318 HydrophobicContact CE1-CG 4.12Å; F304-F318 HydrophobicContact CE2-CD1 4.32Å; F304-F318 HydrophobicContact CE2-CG 4.37Å; F304-F318 HydrophobicContact CZ-CB 3.79Å; F304-F318 AromaticContact CZ-CD1 3.89Å; F304-F318 HydrophobicContact CZ-CD1 3.89Å; F304-F318 AromaticContact CZ-CD2 3.7Å; F304-F318 HydrophobicContact CZ-CD2 3.7Å; F304-F318 HydrophobicContact CZ-CE1 4.39Å; F304-F318 HydrophobicContact CZ-CE2 4.21Å; F304-F318 AromaticContact CZ-CG 3.51Å; F304-F318 HydrophobicContact CZ-CG 3.51Å; F304-Y355 AromaticContact CE1-CD1 3.87Å; F304-Y355 HydrophobicContact CE1-CD1 3.87Å; F304-Y355 HydrophobicContact CE1-CE1 4.44Å; F304-Y355 HydrophobicContact CE1-CG 4.3Å; F304-M357 HydrophobicContact CD2-SD 4.33Å; F304-M357 HydrophobicContact CE1-CE 4.38Å; F304-M357 HydrophobicContact CE2-CE 3.6Å; F304-M357 HydrophobicContact CE2-SD 3.68Å; F304-M357 HydrophobicContact CZ-CE 3.38Å; F304-M357 HydrophobicContact CZ-SD 3.93Å
305K92.9Very high92.3Very high75 Ų7547.9 Ų47.933%0.32623%0.228SC..THydrogen-bonded Turntrans56.256.9-172.9-53.8-179.9177.5-176.60111.7A301 C302 W307 T308 Q484A301-K305 WeakPolarHBondContact O-CA 3.27Å; A301-K305 PolarHBondContact O-N 3.3Å; A301-K305 VanDerWaalsContact O-N 3.08Å; C302-K305 WeakPolarHBondContact O-CA 3.3Å; C302-K305 WeakPolarHBondContact O-CG 3.45Å; C302-K305 PolarHBondContact O-N 2.84Å; K305-W307 HydrophobicContact CB-CH2 4.36Å; K305-W307 HydrophobicContact CB-CZ2 3.77Å; K305-W307 HydrophobicContact CG-CH2 4.32Å; K305-W307 HydrophobicContact CG-CZ2 3.78Å; K305-W307 PolarHBondContact O-N 3.4Å; K305-W307 VanDerWaalsContact O-N 3.09Å; K305-T308 HydrophobicContact CB-CG2 4.46Å; K305-T308 PolarHBondContact O-N 3.03Å; K305-T308 PolarHBondContact O-OG1 3.11Å; K305-Q484 WeakPolarHBondContact CE-O 3.37Å; K305-Q484 PolarHBondContact NZ-O 2.91Å
306L92.5Very high92.2Very high13 Ų1351.2 Ų51.27%0.06824%0.241CC..THydrogen-bonded Turntrans-63.7-16-170.7-64-176.9000114.7C295 A301 F304 T308 Q312 L315C295-L306 HydrophobicContact CB-CD1 4.28Å; A301-L306 HydrophobicContact CB-CD1 3.88Å; A301-L306 HydrophobicContact CB-CG 4.4Å; A301-L306 PolarHBondContact O-N 3.45Å; F304-L306 HydrophobicContact CB-CD2 3.52Å; F304-L306 HydrophobicContact CB-CG 3.98Å; F304-L306 HydrophobicContact CG-CD2 4.39Å; L306-T308 PolarHBondContact O-N 2.66Å; L306-Q312 PolarHBondContact O-NE2 3.26Å; L306-L315 HydrophobicContact CD1-CD2 4.42Å; L306-L315 HydrophobicContact CD2-CB 3.86Å; L306-L315 HydrophobicContact CD2-CD2 3.76Å; L306-L315 HydrophobicContact CD2-CG 4.32Å
307W91.4Very high92.2Very high25 Ų2555.9 Ų55.910%0.09526%0.263CS..THydrogen-bonded Turntrans-68.7-6.7169.253.590.6000113.7A301 C302 K305 A436 I439 A481 S485A301-W307 WeakPolarHBondContact O-CZ3 3.41Å; C302-W307 HydrophobicContact CB-CH2 4.38Å; K305-W307 HydrophobicContact CB-CH2 4.36Å; K305-W307 HydrophobicContact CB-CZ2 3.77Å; K305-W307 HydrophobicContact CG-CH2 4.32Å; K305-W307 HydrophobicContact CG-CZ2 3.78Å; K305-W307 PolarHBondContact O-N 3.4Å; K305-W307 VanDerWaalsContact O-N 3.09Å; W307-A436 HydrophobicContact CB-CB 3.66Å; W307-I439 HydrophobicContact CD2-CD1 4.01Å; W307-I439 HydrophobicContact CE3-CD1 4.37Å; W307-I439 HydrophobicContact CG-CD1 4.45Å; W307-I439 HydrophobicContact CH2-CD1 4.43Å; W307-I439 HydrophobicContact CZ2-CD1 4.08Å; W307-A481 HydrophobicContact CE3-CB 4.43Å; W307-A481 HydrophobicContact CH2-CB 3.37Å; W307-A481 HydrophobicContact CZ2-CB 4.08Å; W307-A481 WeakPolarHBondContact CZ2-O 3.48Å; W307-A481 HydrophobicContact CZ3-CB 3.58Å; W307-S485 WeakPolarHBondContact CZ2-OG 3.32Å; W307-S485 PolarHBondContact NE1-OG 3.22Å
308T92.2Very high92.1Very high50 Ų5055.9 Ų55.931%0.30726%0.262SS..SBendtrans-112146177.571.20000112.1K305 L306 K310 G311 Q312K305-T308 HydrophobicContact CB-CG2 4.46Å; K305-T308 PolarHBondContact O-N 3.03Å; K305-T308 PolarHBondContact O-OG1 3.11Å; L306-T308 PolarHBondContact O-N 2.66Å; T308-K310 PolarHBondContact O-N 3.08Å; T308-G311 PolarHBondContact O-N 3.43Å; T308-G311 PolarHBondContact OG1-N 3.27Å; T308-Q312 PolarHBondContact O-N 3.36Å
309L91.4Very high92.3Very high137 Ų13753.5 Ų53.572%0.71725%0.253SS*.Hα-helixtrans-58-33.5173.3-69173.3000112.7K313L309-K313 WeakPolarHBondContact O-CG 3.24Å; L309-K313 PolarHBondContact O-N 3.28Å; L309-K313 VanDerWaalsContact O-N 3.1Å
310K93.1Very high92.3Very high172 Ų17255.6 Ų55.675%0.74828%0.277SS*.Hα-helixtrans-66.8-41.3175.2-68.1-175.2-179.7-178.60111.3T308 K313 K314T308-K310 PolarHBondContact O-N 3.08Å; K310-K313 PolarHBondContact O-N 2.85Å; K310-K314 WeakPolarHBondContact O-CG 3.49Å; K310-K314 PolarHBondContact O-N 3.27Å
311G92.4Very high92.3Very high3 Ų358.3 Ų58.33%0.03129%0.291CS..Hα-helixtrans-64.6-41.7176.100000112.9F304 T308 K313 K314 L315F304-G311 WeakPolarHBondContact O-CA 3.48Å; T308-G311 PolarHBondContact O-N 3.43Å; T308-G311 PolarHBondContact OG1-N 3.27Å; G311-K313 VanDerWaalsContact C-N 3.34Å; G311-K313 PolarHBondContact O-N 3.11Å; G311-K314 WeakPolarHBondContact O-CB 3.36Å; G311-K314 PolarHBondContact O-N 3.39Å; G311-L315 PolarHBondContact O-N 3.31Å
312Q91.9Very high92.2Very high98 Ų9858.9 Ų58.946%0.45829%0.294SS..Hα-helixtrans-61.6-40.6173.9-67.8-176.2-2.600112.4L306 T308 L315 Q316L306-Q312 PolarHBondContact O-NE2 3.26Å; T308-Q312 PolarHBondContact O-N 3.36Å; Q312-L315 PolarHBondContact O-N 2.89Å; Q312-Q316 WeakPolarHBondContact O-CG 3.46Å; Q312-Q316 PolarHBondContact O-N 3.21Å; Q312-Q316 VanDerWaalsContact O-N 3.11Å
313K94.2Very high92.1Very high144 Ų14461.8 Ų61.863%0.62632%0.324SS*.Hα-helixtrans-62.5-44.8173.1-73.7-177.5179.1-172.20112.2L309 K310 G311 L315 Q316 E317L309-K313 WeakPolarHBondContact O-CG 3.24Å; L309-K313 PolarHBondContact O-N 3.28Å; L309-K313 VanDerWaalsContact O-N 3.1Å; K310-K313 PolarHBondContact O-N 2.85Å; G311-K313 VanDerWaalsContact C-N 3.34Å; G311-K313 PolarHBondContact O-N 3.11Å; K313-L315 VanDerWaalsContact C-N 3.29Å; K313-L315 PolarHBondContact O-N 2.96Å; K313-Q316 WeakPolarHBondContact O-CB 3.33Å; K313-Q316 PolarHBondContact O-N 3.36Å; K313-E317 WeakPolarHBondContact O-CG 3.33Å; K313-E317 PolarHBondContact O-N 2.74Å
314K93.2Very high92Very high112 Ų11261.2 Ų61.249%0.48732%0.317SS..Hα-helixtrans-60-37.6174.8-74.6-175.8174.1-164.80112.9F304 K310 G311 Q316 E317 F318F304-K314 HydrophobicContact CD1-CB 4.17Å; K310-K314 WeakPolarHBondContact O-CG 3.49Å; K310-K314 PolarHBondContact O-N 3.27Å; G311-K314 WeakPolarHBondContact O-CB 3.36Å; G311-K314 PolarHBondContact O-N 3.39Å; K314-Q316 VanDerWaalsContact C-N 3.33Å; K314-E317 PolarHBondContact O-N 3.08Å; K314-F318 WeakPolarHBondContact O-CB 3.13Å; K314-F318 PolarHBondContact O-N 3.46Å
315L93Very high91.9Very high1 Ų164.2 Ų64.21%0.00534%0.338CS..Hα-helixtrans-63.3-40.4173.9175.862.8000111.2Y291 I294 F304 L306 G311 Q312 K313 F318 L319Y291-L315 HydrophobicContact CE2-CD2 3.93Å; I294-L315 HydrophobicContact CG2-CD1 3.54Å; F304-L315 HydrophobicContact CD2-CD1 4.42Å; F304-L315 HydrophobicContact CE2-CD1 4.41Å; L306-L315 HydrophobicContact CD1-CD2 4.42Å; L306-L315 HydrophobicContact CD2-CB 3.86Å; L306-L315 HydrophobicContact CD2-CD2 3.76Å; L306-L315 HydrophobicContact CD2-CG 4.32Å; G311-L315 PolarHBondContact O-N 3.31Å; Q312-L315 PolarHBondContact O-N 2.89Å; K313-L315 VanDerWaalsContact C-N 3.29Å; K313-L315 PolarHBondContact O-N 2.96Å; L315-F318 HydrophobicContact CD1-CD1 4.3Å; L315-F318 WeakPolarHBondContact O-CB 3.26Å; L315-F318 PolarHBondContact O-N 3.07Å; L315-L319 HydrophobicContact CD1-CG 4.38Å; L315-L319 HydrophobicContact CG-CD1 4.37Å; L315-L319 VanDerWaalsContact O-CG 3.3Å; L315-L319 WeakPolarHBondContact O-CG 3.42Å; L315-L319 PolarHBondContact O-N 3.25Å
316Q91.8Very high91.8Very high88 Ų8865.8 Ų65.841%0.41135%0.349SS..Hα-helixtrans-66.5-39.1175.4-62.4-58-42.700112Q312 K313 K314 F318 L319 A320Q312-Q316 WeakPolarHBondContact O-CG 3.46Å; Q312-Q316 PolarHBondContact O-N 3.21Å; Q312-Q316 VanDerWaalsContact O-N 3.11Å; K313-Q316 WeakPolarHBondContact O-CB 3.33Å; K313-Q316 PolarHBondContact O-N 3.36Å; K314-Q316 VanDerWaalsContact C-N 3.33Å; Q316-F318 VanDerWaalsContact C-N 3.33Å; Q316-L319 PolarHBondContact O-N 2.97Å; Q316-A320 WeakPolarHBondContact O-CB 3.38Å; Q316-A320 PolarHBondContact O-N 2.87Å
317E93.5Very high91.7Very high110 Ų11075.5 Ų75.551%0.51439%0.385SS..Hα-helixtrans-61.7-41.2172.5-68.5166.1-171.400111.4K313 K314 A320 D321 Y355K313-E317 WeakPolarHBondContact O-CG 3.33Å; K313-E317 PolarHBondContact O-N 2.74Å; K314-E317 PolarHBondContact O-N 3.08Å; E317-A320 PolarHBondContact O-N 2.71Å; E317-D321 PolarHBondContact O-N 3.46Å; E317-Y355 WeakPolarHBondContact CB-OH 3.43Å; E317-Y355 PolarHBondContact O-OH 2.89Å
318F93.6Very high91.7Very high4 Ų475.4 Ų75.42%0.01839%0.385CS..Hα-helixtrans-62.7-46.8175.4173.6-100.5000111.9I294 F304 K314 L315 Q316 A320 D321 M322 Y355 M357I294-F318 HydrophobicContact CD1-CE1 4.36Å; F304-F318 HydrophobicContact CE1-CB 3.89Å; F304-F318 HydrophobicContact CE1-CD2 4.36Å; F304-F318 HydrophobicContact CE1-CG 4.12Å; F304-F318 HydrophobicContact CE2-CD1 4.32Å; F304-F318 HydrophobicContact CE2-CG 4.37Å; F304-F318 HydrophobicContact CZ-CB 3.79Å; F304-F318 AromaticContact CZ-CD1 3.89Å; F304-F318 HydrophobicContact CZ-CD1 3.89Å; F304-F318 AromaticContact CZ-CD2 3.7Å; F304-F318 HydrophobicContact CZ-CD2 3.7Å; F304-F318 HydrophobicContact CZ-CE1 4.39Å; F304-F318 HydrophobicContact CZ-CE2 4.21Å; F304-F318 AromaticContact CZ-CG 3.51Å; F304-F318 HydrophobicContact CZ-CG 3.51Å; K314-F318 WeakPolarHBondContact O-CB 3.13Å; K314-F318 PolarHBondContact O-N 3.46Å; L315-F318 HydrophobicContact CD1-CD1 4.3Å; L315-F318 WeakPolarHBondContact O-CB 3.26Å; L315-F318 PolarHBondContact O-N 3.07Å; Q316-F318 VanDerWaalsContact C-N 3.33Å; F318-A320 VanDerWaalsContact C-N 3.25Å; F318-A320 PolarHBondContact O-N 3.45Å; F318-D321 PolarHBondContact O-N 3.48Å; F318-M322 HydrophobicContact CD1-SD 3.97Å; F318-M322 HydrophobicContact CE1-CG 4.21Å; F318-M322 HydrophobicContact CE1-SD 3.38Å; F318-M322 WeakPolarHBondContact CE1-SD 3.46Å; F318-M322 HydrophobicContact CZ-CG 4.24Å; F318-M322 HydrophobicContact CZ-SD 3.8Å; F318-M322 WeakPolarHBondContact O-CG 3.45Å; F318-M322 PolarHBondContact O-N 3.38Å; F318-Y355 HydrophobicContact CB-CE1 4.22Å; F318-Y355 HydrophobicContact CB-CE2 4.22Å; F318-Y355 AromaticContact CD2-CD2 3.72Å; F318-Y355 HydrophobicContact CD2-CD2 3.72Å; F318-Y355 AromaticContact CD2-CE2 3.88Å; F318-Y355 HydrophobicContact CD2-CE2 3.88Å; F318-Y355 HydrophobicContact CD2-CG 4.17Å; F318-Y355 HydrophobicContact CE2-CD2 4.48Å; F318-Y355 PolarHBondContact N-OH 2.85Å; F318-M357 HydrophobicContact CD2-CE 4.31Å; F318-M357 HydrophobicContact CE2-CE 3.81Å; F318-M357 HydrophobicContact CZ-CE 4.19Å
319L91.7Very high91.7Very high8 Ų873.1 Ų73.14%0.04237%0.372CS..Hα-helixtrans-63.4-32.3175.8-68.4173.7000112.4Y291 I294 L315 Q316 M322 V329Y291-L319 HydrophobicContact CD2-CD1 3.99Å; Y291-L319 HydrophobicContact CE2-CD1 4.34Å; I294-L319 HydrophobicContact CD1-CD2 4.2Å; L315-L319 HydrophobicContact CD1-CG 4.38Å; L315-L319 HydrophobicContact CG-CD1 4.37Å; L315-L319 VanDerWaalsContact O-CG 3.3Å; L315-L319 WeakPolarHBondContact O-CG 3.42Å; L315-L319 PolarHBondContact O-N 3.25Å; Q316-L319 PolarHBondContact O-N 2.97Å; L319-M322 HydrophobicContact CD2-SD 4.16Å; L319-V329 HydrophobicContact CD1-CG1 4.19Å; L319-V329 HydrophobicContact CD2-CG1 3.88Å; L319-V329 HydrophobicContact CD2-CG2 4.49Å
320A91.3Very high91.8Very high73 Ų7373.5 Ų73.560%0.60337%0.368SS*.Hα-helixtrans-70.9-39.5174.100000112.1Q316 E317 F318 M322 G323Q316-A320 WeakPolarHBondContact O-CB 3.38Å; Q316-A320 PolarHBondContact O-N 2.87Å; E317-A320 PolarHBondContact O-N 2.71Å; F318-A320 VanDerWaalsContact C-N 3.25Å; F318-A320 PolarHBondContact O-N 3.45Å; A320-M322 VanDerWaalsContact C-N 3.33Å; A320-G323 PolarHBondContact O-N 3.16Å; A320-G323 VanDerWaalsContact O-N 3.1Å
321D92.1Very high91.8Very high62 Ų6268.2 Ų68.233%0.33235%0.346SS..Hα-helixtrans-65.1-35.6175.5-176.276.8000112.2E317 F318 G323 S351 K354 Y355E317-D321 PolarHBondContact O-N 3.46Å; F318-D321 PolarHBondContact O-N 3.48Å; D321-G323 PolarHBondContact O-N 3.07Å; D321-G323 VanDerWaalsContact O-N 3.17Å; D321-S351 WeakPolarHBondContact OD2-CB 3.43Å; D321-S351 PolarHBondContact OD2-OG 2.91Å; D321-K354 IonicContact OD1-NZ 3.81Å; D321-K354 PolarHBondContact OD1-NZ 3.04Å; D321-K354 WeakPolarHBondContact OD2-CD 3.43Å; D321-K354 IonicContact OD2-NZ 2.79Å; D321-K354 PolarHBondContact OD2-NZ 3.32Å; D321-Y355 HydrophobicContact CB-CE2 4.38Å
322M90.1Very high91.9Very high12 Ų1274.6 Ų74.66%0.05937%0.372CS..THydrogen-bonded Turntrans-63-17.6172.8-70.317961.600113.4L290 F318 L319 A320 L324 L344 V347 I348L290-M322 HydrophobicContact CD2-CE 4.19Å; F318-M322 HydrophobicContact CD1-SD 3.97Å; F318-M322 HydrophobicContact CE1-CG 4.21Å; F318-M322 HydrophobicContact CE1-SD 3.38Å; F318-M322 WeakPolarHBondContact CE1-SD 3.46Å; F318-M322 HydrophobicContact CZ-CG 4.24Å; F318-M322 HydrophobicContact CZ-SD 3.8Å; F318-M322 WeakPolarHBondContact O-CG 3.45Å; F318-M322 PolarHBondContact O-N 3.38Å; L319-M322 HydrophobicContact CD2-SD 4.16Å; A320-M322 VanDerWaalsContact C-N 3.33Å; M322-L324 HydrophobicContact CB-CG 4.32Å; M322-L324 HydrophobicContact CE-CD1 3.51Å; M322-L324 HydrophobicContact CE-CG 4.17Å; M322-L324 PolarHBondContact O-N 2.91Å; M322-L324 VanDerWaalsContact O-N 3.14Å; M322-L344 HydrophobicContact CE-CD1 4.15Å; M322-V347 HydrophobicContact CB-CG1 4Å; M322-V347 HydrophobicContact CE-CG1 4.24Å; M322-V347 HydrophobicContact CG-CG1 4.26Å; M322-V347 WeakPolarHBondContact O-CG1 3.45Å; M322-I348 HydrophobicContact CE-CD1 3.96Å; M322-I348 HydrophobicContact CE-CG1 3.3Å; M322-I348 HydrophobicContact SD-CG1 4.09Å
323G89.1Confident91.9Very high62 Ų6271 Ų7164%0.63936%0.355SS*.THydrogen-bonded Turntrans6712.9178.100000115.1A320 D321A320-G323 PolarHBondContact O-N 3.16Å; A320-G323 VanDerWaalsContact O-N 3.1Å; D321-G323 PolarHBondContact O-N 3.07Å; D321-G323 VanDerWaalsContact O-N 3.17Å
324L88.1Confident91.7Very high28 Ų2869.2 Ų69.215%0.14735%0.347CS..  trans-82.5138.1-178.6-64.5-173.6000111.9L290 M322 L326 V329 I340 L344L290-L324 HydrophobicContact CD2-CD1 4.08Å; M322-L324 HydrophobicContact CB-CG 4.32Å; M322-L324 HydrophobicContact CE-CD1 3.51Å; M322-L324 HydrophobicContact CE-CG 4.17Å; M322-L324 PolarHBondContact O-N 2.91Å; M322-L324 VanDerWaalsContact O-N 3.14Å; L324-L326 PolarHBondContact O-N 2.88Å; L324-V329 HydrophobicContact CB-CG2 3.74Å; L324-V329 HydrophobicContact CD1-CG2 4.33Å; L324-I340 HydrophobicContact CD1-CG2 4.28Å; L324-I340 HydrophobicContact CD2-CG2 3.67Å; L324-L344 HydrophobicContact CD1-CD1 3.61Å
325P91.1Very high91.5Very high71 Ų7167.6 Ų67.646%0.46135%0.35SS..  trans-58133.7173.6-24.233.4000111.9R327 Q328 V329P325-R327 PolarHBondContact O-N 3.32Å; P325-Q328 HydrophobicContact CB-CB 4.37Å; P325-Q328 HydrophobicContact CB-CG 4.03Å; P325-Q328 HydrophobicContact CG-CG 4.15Å; P325-Q328 WeakPolarHBondContact O-CA 3.22Å; P325-Q328 WeakPolarHBondContact O-CB 3.17Å; P325-Q328 PolarHBondContact O-N 3.45Å; P325-V329 PolarHBondContact O-N 3.31Å; P325-V329 VanDerWaalsContact O-N 3.15Å
326L89.3Confident91.4Very high108 Ų10867.8 Ų67.857%0.56535%0.351SS*.Hα-helixtrans-55.3-30.5179.7-69.9174.8000113.6L324 K330L324-L326 PolarHBondContact O-N 2.88Å; L326-K330 WeakPolarHBondContact O-CB 3.25Å; L326-K330 WeakPolarHBondContact O-CG 3.41Å; L326-K330 PolarHBondContact O-N 2.71Å; L326-K330 VanDerWaalsContact O-N 3.17Å
327R92.1Very high91.4Very high218 Ų21867.4 Ų67.482%0.82335%0.352SS*.Hα-helixtrans-64.2-42.4174.5-67.8-175.7179.9178.80.1111.7P325 K330 Q331P325-R327 PolarHBondContact O-N 3.32Å; R327-K330 PolarHBondContact O-N 2.9Å; R327-Q331 WeakPolarHBondContact O-CB 3.41Å; R327-Q331 WeakPolarHBondContact O-CG 3.48Å; R327-Q331 PolarHBondContact O-N 3.24Å
328Q91.8Very high91.2Very high22 Ų2266.6 Ų66.610%0.10335%0.354CS..Hα-helixtrans-67.4-39178.9-66.8-73.1-18.700111.2P325 K330 Q331 M336 D337 I340P325-Q328 HydrophobicContact CB-CB 4.37Å; P325-Q328 HydrophobicContact CB-CG 4.03Å; P325-Q328 HydrophobicContact CG-CG 4.15Å; P325-Q328 WeakPolarHBondContact O-CA 3.22Å; P325-Q328 WeakPolarHBondContact O-CB 3.17Å; P325-Q328 PolarHBondContact O-N 3.45Å; Q328-K330 PolarHBondContact O-N 3.29Å; Q328-Q331 WeakPolarHBondContact O-CG 3.3Å; Q328-M336 VanDerWaalsContact O-CE 3.23Å; Q328-M336 WeakPolarHBondContact O-CE 3.41Å; Q328-M336 VanDerWaalsContact OE1-CG 3.24Å; Q328-D337 PolarHBondContact NE2-OD1 3.03Å; Q328-D337 PolarHBondContact NE2-OD2 3.42Å; Q328-I340 HydrophobicContact CB-CD1 4.19Å; Q328-I340 HydrophobicContact CG-CD1 3.64Å
329V92.1Very high91.1Very high3 Ų370.8 Ų70.82%0.01838%0.381CS..Hα-helixtrans-68.5-33.9179.4174.90000112.8L290 Y291 L319 L324 P325L290-V329 PolarHBondContact N-O 3.04Å; Y291-V329 PolarHBondContact N-O 3.32Å; Y291-V329 VanDerWaalsContact N-O 3.15Å; L319-V329 HydrophobicContact CD1-CG1 4.19Å; L319-V329 HydrophobicContact CD2-CG1 3.88Å; L319-V329 HydrophobicContact CD2-CG2 4.49Å; L324-V329 HydrophobicContact CB-CG2 3.74Å; L324-V329 HydrophobicContact CD1-CG2 4.33Å; P325-V329 PolarHBondContact O-N 3.31Å; P325-V329 VanDerWaalsContact O-N 3.15Å
330K92.3Very high91Very high145 Ų14571.7 Ų71.763%0.6339%0.385SS*.Hα-helixtrans-91.5-20.2-177.8-70.2-175.4178.2-174.90114.6S289 L326 R327 Q328S289-K330 WeakPolarHBondContact CB-O 3.21Å; L326-K330 WeakPolarHBondContact O-CB 3.25Å; L326-K330 WeakPolarHBondContact O-CG 3.41Å; L326-K330 PolarHBondContact O-N 2.71Å; L326-K330 VanDerWaalsContact O-N 3.17Å; R327-K330 PolarHBondContact O-N 2.9Å; Q328-K330 PolarHBondContact O-N 3.29Å
331Q93.8Very high90.9Very high61 Ų6170.9 Ų70.929%0.28537%0.368SS..SBendtrans-77.2163.4174.270.4-177.14.200111.3S289 R327 Q328 S335S289-Q331 WeakPolarHBondContact CA-O 3.27Å; S289-Q331 WeakPolarHBondContact CB-O 3.1Å; R327-Q331 WeakPolarHBondContact O-CB 3.41Å; R327-Q331 WeakPolarHBondContact O-CG 3.48Å; R327-Q331 PolarHBondContact O-N 3.24Å; Q328-Q331 WeakPolarHBondContact O-CG 3.3Å; Q331-S335 PolarHBondContact NE2-O 3.23Å
332K93.4Very high90.7Very high137 Ų13774.3 Ų74.360%0.59638%0.382SS*.BIsolated β-bridgetrans-61.5139.1176.4-67.1-174.2178-176.80110K334 S335 M336K332-K334 PolarHBondContact O-N 2.95Å; K332-S335 WeakPolarHBondContact O-CA 3.21Å; K332-S335 WeakPolarHBondContact O-CB 3.3Å; K332-S335 PolarHBondContact O-N 3Å; K332-M336 PolarHBondContact O-N 3.49Å
333F91.6Very high90.7Very high23 Ų2378.1 Ų78.110%0.10140%0.402CS..G310 helixtrans-53.1-41.5179.1178.2-92000112.5Y285 H286 W288 S335 M336 K341 L344Y285-F333 HydrophobicContact CD2-CD2 4.07Å; Y285-F333 HydrophobicContact CD2-CE2 4.05Å; Y285-F333 HydrophobicContact CD2-CZ 4.49Å; Y285-F333 HydrophobicContact CE2-CD2 4.39Å; Y285-F333 AromaticContact CE2-CE2 3.92Å; Y285-F333 HydrophobicContact CE2-CE2 3.92Å; Y285-F333 HydrophobicContact CE2-CZ 4.04Å; Y285-F333 WeakPolarHBondContact O-CB 3.39Å; Y285-F333 WeakPolarHBondContact O-CG 3.43Å; H286-F333 HydrophobicContact CB-CD1 4.37Å; H286-F333 AromaticContact CD2-CD1 3.65Å; H286-F333 AromaticContact CD2-CE1 3.24Å; H286-F333 WeakPolarHBondContact CD2-CE1 3.32Å; H286-F333 AromaticContact CD2-CZ 3.65Å; H286-F333 AromaticContact NE2-CE1 3.84Å; H286-F333 AromaticContact NE2-CZ 3.95Å; W288-F333 PolarHBondContact O-N 3.01Å; F333-S335 PolarHBondContact O-N 3.49Å; F333-M336 HydrophobicContact CD2-CE 4.48Å; F333-M336 HydrophobicContact CD2-SD 4.27Å; F333-M336 HydrophobicContact CE2-SD 4.44Å; F333-M336 WeakPolarHBondContact O-CB 3.47Å; F333-M336 PolarHBondContact O-N 2.85Å; F333-K341 HydrophobicContact CE1-CD 4.26Å; F333-K341 HydrophobicContact CE1-CG 4.39Å; F333-K341 HydrophobicContact CE2-CG 3.99Å; F333-K341 HydrophobicContact CZ-CB 4.31Å; F333-K341 HydrophobicContact CZ-CD 4.16Å; F333-K341 HydrophobicContact CZ-CG 3.82Å; F333-K341 WeakPolarHBondContact O-CE 3.22Å; F333-K341 PolarHBondContact O-NZ 3.08Å; F333-L344 HydrophobicContact CD2-CD2 4.2Å; F333-L344 HydrophobicContact CE2-CD2 3.65Å
334K89.9Confident90.8Very high105 Ų10575.3 Ų75.346%0.45737%0.373SS..G310 helixtrans-55.1-30.9176.5-65.9-167.1176.6-168.90113.4K332 K341K332-K334 PolarHBondContact O-N 2.95Å; K334-K341 PolarHBondContact O-NZ 2.85Å
335S90.4Very high91.1Very high78 Ų7877.6 Ų77.655%0.54538%0.379SS..G310 helixtrans-90.5-3179.5-55.90000114.2Q331 K332 F333Q331-S335 PolarHBondContact NE2-O 3.23Å; K332-S335 WeakPolarHBondContact O-CA 3.21Å; K332-S335 WeakPolarHBondContact O-CB 3.3Å; K332-S335 PolarHBondContact O-N 3Å; F333-S335 PolarHBondContact O-N 3.49Å
336M90.2Very high91.1Very high5 Ų578.6 Ų78.63%0.02538%0.381CS..SBendtrans-69.5147.1177.7-174.9-177.7-73.100111.8L290 Q328 K332 F333 I340 K341 L344L290-M336 HydrophobicContact CB-CE 4.32Å; L290-M336 HydrophobicContact CD2-CE 4.47Å; Q328-M336 VanDerWaalsContact O-CE 3.23Å; Q328-M336 WeakPolarHBondContact O-CE 3.41Å; Q328-M336 VanDerWaalsContact OE1-CG 3.24Å; K332-M336 PolarHBondContact O-N 3.49Å; F333-M336 HydrophobicContact CD2-CE 4.48Å; F333-M336 HydrophobicContact CD2-SD 4.27Å; F333-M336 HydrophobicContact CE2-SD 4.44Å; F333-M336 WeakPolarHBondContact O-CB 3.47Å; F333-M336 PolarHBondContact O-N 2.85Å; M336-I340 HydrophobicContact CG-CB 4.1Å; M336-I340 HydrophobicContact CG-CG2 3.99Å; M336-I340 HydrophobicContact SD-CB 4.28Å; M336-I340 HydrophobicContact SD-CG2 3.6Å; M336-K341 HydrophobicContact CB-CG 4.21Å; M336-K341 HydrophobicContact CG-CG 4.23Å; M336-K341 WeakPolarHBondContact O-CE 3.25Å; M336-K341 PolarHBondContact O-NZ 3.43Å; M336-K341 HydrophobicContact SD-CG 4.26Å; M336-L344 HydrophobicContact SD-CD2 4.36Å
337D91.3Very high91.3Very high80 Ų8075.4 Ų75.443%0.42837%0.366SS..  trans-59.6139.7-179.7-60.3-6.8000110.4Q328 T339 I340 K341Q328-D337 PolarHBondContact NE2-OD1 3.03Å; Q328-D337 PolarHBondContact NE2-OD2 3.42Å; D337-T339 VanDerWaalsContact C-N 3.33Å; D337-T339 PolarHBondContact O-N 3.26Å; D337-I340 HydrophobicContact CB-CD1 4.09Å; D337-I340 HydrophobicContact CB-CG1 4.19Å; D337-I340 PolarHBondContact O-N 2.73Å; D337-I340 VanDerWaalsContact O-N 3.11Å; D337-K341 PolarHBondContact O-N 3.43Å
338V89.6Confident91.3Very high93 Ų9365.2 Ų65.256%0.56433%0.328SS*.Hα-helixtrans-60.9-42.3-173.7179.50000111.8I340 K341 E342V338-I340 PolarHBondContact O-N 3.48Å; V338-K341 WeakPolarHBondContact O-CB 3.45Å; V338-K341 PolarHBondContact O-N 3.41Å; V338-K341 VanDerWaalsContact O-N 3.11Å; V338-E342 HydrophobicContact CG1-CG 4.41Å; V338-E342 WeakPolarHBondContact O-CG 3.22Å; V338-E342 PolarHBondContact O-N 3.42Å
339T91.5Very high91.3Very high93 Ų9366.9 Ų66.957%0.57134%0.336SS*.Hα-helixtrans-61.1-33177.852.60000112.9D337 N343D337-T339 VanDerWaalsContact C-N 3.33Å; D337-T339 PolarHBondContact O-N 3.26Å; T339-N343 PolarHBondContact O-ND2 3.47Å
340I89.4Confident91.4Very high26 Ų2672.7 Ų72.713%0.13336%0.363CS..Hα-helixtrans-74-43.7176.1-61.6176.4000109.5L324 Q328 M336 D337 V338 E342 N343 L344L324-I340 HydrophobicContact CD1-CG2 4.28Å; L324-I340 HydrophobicContact CD2-CG2 3.67Å; Q328-I340 HydrophobicContact CB-CD1 4.19Å; Q328-I340 HydrophobicContact CG-CD1 3.64Å; M336-I340 HydrophobicContact CG-CB 4.1Å; M336-I340 HydrophobicContact CG-CG2 3.99Å; M336-I340 HydrophobicContact SD-CB 4.28Å; M336-I340 HydrophobicContact SD-CG2 3.6Å; D337-I340 HydrophobicContact CB-CD1 4.09Å; D337-I340 HydrophobicContact CB-CG1 4.19Å; D337-I340 PolarHBondContact O-N 2.73Å; D337-I340 VanDerWaalsContact O-N 3.11Å; V338-I340 PolarHBondContact O-N 3.48Å; I340-E342 VanDerWaalsContact C-N 3.33Å; I340-E342 PolarHBondContact O-N 2.68Å; I340-N343 PolarHBondContact O-N 2.97Å; I340-L344 WeakPolarHBondContact O-CA 3.46Å; I340-L344 VanDerWaalsContact O-CB 3.29Å; I340-L344 WeakPolarHBondContact O-CB 3.35Å; I340-L344 PolarHBondContact O-N 2.82Å
341K88.9Confident91.4Very high56 Ų5666 Ų6624%0.24333%0.334CS..Hα-helixtrans-58.6-43.5178.5-70.7174.1174.1154.40112.6F333 K334 M336 D337 V338 N343 L344F333-K341 HydrophobicContact CE1-CD 4.26Å; F333-K341 HydrophobicContact CE1-CG 4.39Å; F333-K341 HydrophobicContact CE2-CG 3.99Å; F333-K341 HydrophobicContact CZ-CB 4.31Å; F333-K341 HydrophobicContact CZ-CD 4.16Å; F333-K341 HydrophobicContact CZ-CG 3.82Å; F333-K341 WeakPolarHBondContact O-CE 3.22Å; F333-K341 PolarHBondContact O-NZ 3.08Å; K334-K341 PolarHBondContact O-NZ 2.85Å; M336-K341 HydrophobicContact CB-CG 4.21Å; M336-K341 HydrophobicContact CG-CG 4.23Å; M336-K341 WeakPolarHBondContact O-CE 3.25Å; M336-K341 PolarHBondContact O-NZ 3.43Å; M336-K341 HydrophobicContact SD-CG 4.26Å; D337-K341 PolarHBondContact O-N 3.43Å; V338-K341 WeakPolarHBondContact O-CB 3.45Å; V338-K341 PolarHBondContact O-N 3.41Å; V338-K341 VanDerWaalsContact O-N 3.11Å; K341-N343 VanDerWaalsContact C-N 3.32Å; K341-N343 PolarHBondContact O-N 3Å; K341-L344 PolarHBondContact O-N 3.41Å
342E88.8Confident91.2Very high135 Ų13563.1 Ų63.163%0.63132%0.32SS*.Hα-helixtrans-62.2-39.4-179.4-73.1172.9174.300112.1V338 I340V338-E342 HydrophobicContact CG1-CG 4.41Å; V338-E342 WeakPolarHBondContact O-CG 3.22Å; V338-E342 PolarHBondContact O-N 3.42Å; I340-E342 VanDerWaalsContact C-N 3.33Å; I340-E342 PolarHBondContact O-N 2.68Å
343N91Very high91.1Very high91 Ų9160.8 Ų60.849%0.48732%0.315SS..Hα-helixtrans-92.6-7.3-178.8-63.1-57.7000113.7T339 I340 K341 R345 D346 V347T339-N343 PolarHBondContact O-ND2 3.47Å; I340-N343 PolarHBondContact O-N 2.97Å; K341-N343 VanDerWaalsContact C-N 3.32Å; K341-N343 PolarHBondContact O-N 3Å; N343-R345 VanDerWaalsContact C-N 3.28Å; N343-R345 PolarHBondContact O-N 3.29Å; N343-D346 PolarHBondContact O-N 3.36Å; N343-V347 HydrophobicContact CB-CG2 4.43Å; N343-V347 WeakPolarHBondContact O-CG2 3.46Å; N343-V347 PolarHBondContact O-N 2.99Å
344L91.4Very high91Very high3 Ų365.3 Ų65.32%0.01633%0.334CS..Hα-helixtrans-59.9-39.2-168.6-173.964.8000112.5L290 M322 L324 F333 M336 I340 K341 I348L290-L344 HydrophobicContact CD1-CD2 4.42Å; L290-L344 HydrophobicContact CD2-CD1 3.91Å; L290-L344 HydrophobicContact CD2-CD2 4.48Å; M322-L344 HydrophobicContact CE-CD1 4.15Å; L324-L344 HydrophobicContact CD1-CD1 3.61Å; F333-L344 HydrophobicContact CD2-CD2 4.2Å; F333-L344 HydrophobicContact CE2-CD2 3.65Å; M336-L344 HydrophobicContact SD-CD2 4.36Å; I340-L344 WeakPolarHBondContact O-CA 3.46Å; I340-L344 VanDerWaalsContact O-CB 3.29Å; I340-L344 WeakPolarHBondContact O-CB 3.35Å; I340-L344 PolarHBondContact O-N 2.82Å; K341-L344 PolarHBondContact O-N 3.41Å; L344-I348 HydrophobicContact CD1-CD1 3.82Å; L344-I348 HydrophobicContact CD1-CG1 4.22Å; L344-I348 HydrophobicContact CD2-CD1 4.34Å; L344-I348 HydrophobicContact CG-CD1 3.76Å; L344-I348 HydrophobicContact CG-CG1 4.43Å; L344-I348 WeakPolarHBondContact O-CB 3.42Å; L344-I348 WeakPolarHBondContact O-CG1 3.36Å; L344-I348 PolarHBondContact O-N 3.12Å
345R92.7Very high90.9Very high76 Ų7664.1 Ų64.129%0.28733%0.327SS..Hα-helixtrans-61.4-47.2-178.1-66.2177.6175.4154.6-1.1111.1E277 D279 L280 N343 E349E277-R345 IonicContact OE2-CZ 3.72Å; E277-R345 IonicContact OE2-NH1 3.53Å; E277-R345 IonicContact OE2-NH2 3.24Å; E277-R345 PolarHBondContact OE2-NH2 2.96Å; D279-R345 IonicContact OD1-CZ 3.77Å; D279-R345 IonicContact OD1-NE 2.88Å; D279-R345 PolarHBondContact OD1-NE 2.98Å; D279-R345 IonicContact OD1-NH2 3.77Å; D279-R345 IonicContact OD2-CZ 2.91Å; D279-R345 IonicContact OD2-NE 3.92Å; D279-R345 PolarHBondContact OD2-NE 3.02Å; D279-R345 IonicContact OD2-NH2 3.38Å; D279-R345 PolarHBondContact OD2-NH2 3.34Å; L280-R345 HydrophobicContact CD1-CG 4.4Å; L280-R345 HydrophobicContact CG-CG 4.31Å; N343-R345 VanDerWaalsContact C-N 3.28Å; N343-R345 PolarHBondContact O-N 3.29Å; R345-E349 WeakPolarHBondContact O-CB 3.34Å; R345-E349 PolarHBondContact O-N 2.94Å
346D91.8Very high90.7Very high93 Ų9363.2 Ų63.250%0.49733%0.33SS..Hα-helixtrans-73.7-39.7-176.9-58.1-24.3000111.4N343 I348 E349 E350 R361N343-D346 PolarHBondContact O-N 3.36Å; D346-I348 PolarHBondContact O-N 3.4Å; D346-E349 PolarHBondContact O-N 3.19Å; D346-E350 PolarHBondContact O-N 3.3Å; D346-R361 IonicContact OD1-NH1 2.71Å; D346-R361 PolarHBondContact OD1-NH1 3.1Å
347V92.9Very high90.6Very high41 Ų4163.1 Ų63.125%0.24833%0.33CS..Hα-helixtrans-60.2-44.8174.61720000111.2M322 N343 S351M322-V347 HydrophobicContact CB-CG1 4Å; M322-V347 HydrophobicContact CE-CG1 4.24Å; M322-V347 HydrophobicContact CG-CG1 4.26Å; M322-V347 WeakPolarHBondContact O-CG1 3.45Å; N343-V347 HydrophobicContact CB-CG2 4.43Å; N343-V347 WeakPolarHBondContact O-CG2 3.46Å; N343-V347 PolarHBondContact O-N 2.99Å; V347-S351 WeakPolarHBondContact O-CB 2.95Å; V347-S351 PolarHBondContact O-N 2.93Å; V347-S351 VanDerWaalsContact O-N 3.08Å; V347-S351 PolarHBondContact O-OG 2.78Å
348I92.7Very high90.2Very high3 Ų367.4 Ų67.42%0.01535%0.345CS..Hα-helixtrans-66.7-40.2178.1-71.7173.2000110.8L280 L282 L290 M322 L344 D346 S352 I360L280-I348 HydrophobicContact CD1-CD1 3.59Å; L280-I348 HydrophobicContact CD2-CB 3.93Å; L280-I348 HydrophobicContact CD2-CD1 4.44Å; L280-I348 HydrophobicContact CD2-CG2 3.69Å; L282-I348 HydrophobicContact CD1-CD1 4.27Å; L290-I348 HydrophobicContact CD1-CD1 4.07Å; M322-I348 HydrophobicContact CE-CD1 3.96Å; M322-I348 HydrophobicContact CE-CG1 3.3Å; M322-I348 HydrophobicContact SD-CG1 4.09Å; L344-I348 HydrophobicContact CD1-CD1 3.82Å; L344-I348 HydrophobicContact CD1-CG1 4.22Å; L344-I348 HydrophobicContact CD2-CD1 4.34Å; L344-I348 HydrophobicContact CG-CD1 3.76Å; L344-I348 HydrophobicContact CG-CG1 4.43Å; L344-I348 WeakPolarHBondContact O-CB 3.42Å; L344-I348 WeakPolarHBondContact O-CG1 3.36Å; L344-I348 PolarHBondContact O-N 3.12Å; D346-I348 PolarHBondContact O-N 3.4Å; I348-S352 WeakPolarHBondContact O-CB 3.48Å; I348-S352 PolarHBondContact O-N 3.22Å; I348-S352 PolarHBondContact O-OG 3.03Å; I348-I360 HydrophobicContact CG2-CG1 3.88Å
349E92.6Very high90Very high58 Ų5866.9 Ų66.927%0.27134%0.339SS..Hα-helixtrans-63.5-46.7178.1-175.9171.7-173.100112.2R345 D346 S352 N353 I360 R361R345-E349 WeakPolarHBondContact O-CB 3.34Å; R345-E349 PolarHBondContact O-N 2.94Å; D346-E349 PolarHBondContact O-N 3.19Å; E349-S352 PolarHBondContact O-N 3.15Å; E349-N353 PolarHBondContact O-N 3.03Å; E349-N353 PolarHBondContact O-ND2 2.95Å; E349-N353 VanDerWaalsContact O-ND2 3.12Å; E349-I360 HydrophobicContact CB-CG2 4.5Å; E349-R361 HydrophobicContact CB-CG 4.31Å; E349-R361 HydrophobicContact CG-CG 4.13Å; E349-R361 WeakPolarHBondContact OE2-CG 3.45Å; E349-R361 IonicContact OE2-CZ 3.19Å; E349-R361 IonicContact OE2-NE 3.62Å; E349-R361 IonicContact OE2-NH1 2.76Å; E349-R361 PolarHBondContact OE2-NH1 3.23Å
350E92.6Very high90Very high125 Ų12562.6 Ų62.658%0.58431%0.312SS*.Hα-helixtrans-60.6-49.8178-170.3-171.8157.600111.6D346 S352 N353D346-E350 PolarHBondContact O-N 3.3Å; E350-S352 VanDerWaalsContact C-N 3.33Å; E350-S352 PolarHBondContact O-N 3.21Å; E350-N353 PolarHBondContact O-N 3.44Å
351S92Very high90.1Very high4 Ų462.8 Ų62.83%0.02831%0.311CS..Hα-helixtrans-64.1-38.6176.4-72.10000111.5D321 V347 N353 K354 Y355D321-S351 WeakPolarHBondContact OD2-CB 3.43Å; D321-S351 PolarHBondContact OD2-OG 2.91Å; V347-S351 WeakPolarHBondContact O-CB 2.95Å; V347-S351 PolarHBondContact O-N 2.93Å; V347-S351 VanDerWaalsContact O-N 3.08Å; V347-S351 PolarHBondContact O-OG 2.78Å; S351-N353 VanDerWaalsContact C-N 3.33Å; S351-N353 PolarHBondContact O-N 3.07Å; S351-K354 WeakPolarHBondContact O-CB 3.42Å; S351-K354 PolarHBondContact O-N 2.89Å; S351-Y355 VanDerWaalsContact O-CD2 3.29Å; S351-Y355 WeakPolarHBondContact O-CD2 3.45Å; S351-Y355 PolarHBondContact O-N 3Å
352S91.2Very high90.3Very high0 Ų060.9 Ų60.90%030%0.304CS..Hα-helixtrans-63.2-39-178.9-67.60000112.5I348 E349 E350 K354 Y355 G356 M357I348-S352 WeakPolarHBondContact O-CB 3.48Å; I348-S352 PolarHBondContact O-N 3.22Å; I348-S352 PolarHBondContact O-OG 3.03Å; E349-S352 PolarHBondContact O-N 3.15Å; E350-S352 VanDerWaalsContact C-N 3.33Å; E350-S352 PolarHBondContact O-N 3.21Å; S352-K354 VanDerWaalsContact C-N 3.3Å; S352-K354 PolarHBondContact O-N 3.14Å; S352-Y355 CarbonylContact O-C 3.48Å; S352-Y355 PolarHBondContact O-N 3.43Å; S352-G356 PolarHBondContact O-N 3.4Å; S352-M357 CarbonylContact C-O 3.4Å; S352-M357 PolarHBondContact O-N 3.32Å
353N89.6Confident90.6Very high89 Ų8957.6 Ų57.648%0.47629%0.288SS..Hα-helixtrans-60-38.1176.5-75.3-36.7000112.3E349 E350 S351 Y355 G356E349-N353 PolarHBondContact O-N 3.03Å; E349-N353 PolarHBondContact O-ND2 2.95Å; E349-N353 VanDerWaalsContact O-ND2 3.12Å; E350-N353 PolarHBondContact O-N 3.44Å; S351-N353 VanDerWaalsContact C-N 3.33Å; S351-N353 PolarHBondContact O-N 3.07Å; N353-Y355 VanDerWaalsContact C-N 3.26Å; N353-Y355 PolarHBondContact O-N 2.87Å; N353-G356 PolarHBondContact O-N 3.4Å
354K89.4Confident90.8Very high117 Ų11753.3 Ų53.351%0.50927%0.266SS..Hα-helixtrans-64.4-30.1175.9-62.9174.8-170.7161.40112.9D321 S351 S352D321-K354 IonicContact OD1-NZ 3.81Å; D321-K354 PolarHBondContact OD1-NZ 3.04Å; D321-K354 WeakPolarHBondContact OD2-CD 3.43Å; D321-K354 IonicContact OD2-NZ 2.79Å; D321-K354 PolarHBondContact OD2-NZ 3.32Å; S351-K354 WeakPolarHBondContact O-CB 3.42Å; S351-K354 PolarHBondContact O-N 2.89Å; S352-K354 VanDerWaalsContact C-N 3.3Å; S352-K354 PolarHBondContact O-N 3.14Å
355Y88.9Confident91.1Very high80 Ų8053.4 Ų53.431%0.31427%0.266SS..THydrogen-bonded Turntrans-95.66.9-179.3-73.1-102000113.1F304 E317 F318 D321 S351 S352 N353F304-Y355 AromaticContact CE1-CD1 3.87Å; F304-Y355 HydrophobicContact CE1-CD1 3.87Å; F304-Y355 HydrophobicContact CE1-CE1 4.44Å; F304-Y355 HydrophobicContact CE1-CG 4.3Å; E317-Y355 WeakPolarHBondContact CB-OH 3.43Å; E317-Y355 PolarHBondContact O-OH 2.89Å; F318-Y355 HydrophobicContact CB-CE1 4.22Å; F318-Y355 HydrophobicContact CB-CE2 4.22Å; F318-Y355 AromaticContact CD2-CD2 3.72Å; F318-Y355 HydrophobicContact CD2-CD2 3.72Å; F318-Y355 AromaticContact CD2-CE2 3.88Å; F318-Y355 HydrophobicContact CD2-CE2 3.88Å; F318-Y355 HydrophobicContact CD2-CG 4.17Å; F318-Y355 HydrophobicContact CE2-CD2 4.48Å; F318-Y355 PolarHBondContact N-OH 2.85Å; D321-Y355 HydrophobicContact CB-CE2 4.38Å; S351-Y355 VanDerWaalsContact O-CD2 3.29Å; S351-Y355 WeakPolarHBondContact O-CD2 3.45Å; S351-Y355 PolarHBondContact O-N 3Å; S352-Y355 CarbonylContact O-C 3.48Å; S352-Y355 PolarHBondContact O-N 3.43Å; N353-Y355 VanDerWaalsContact C-N 3.26Å; N353-Y355 PolarHBondContact O-N 2.87Å
356G85.2Confident91.1Very high59 Ų5949.8 Ų49.861%0.60825%0.252SS*.THydrogen-bonded Turntrans78.616.2176.600000114.7S352 N353S352-G356 PolarHBondContact O-N 3.4Å; N353-G356 PolarHBondContact O-N 3.4Å
357M88.3Confident91.1Very high4 Ų445.3 Ų45.32%0.0223%0.228CC..  trans-93.896.8174.7-66-177.9-60.500109.1Y299 T300 F304 F318 S352Y299-M357 HydrophobicContact CE1-CB 4.08Å; Y299-M357 HydrophobicContact CE1-CG 4.38Å; T300-M357 HydrophobicContact CG2-SD 4.4Å; F304-M357 HydrophobicContact CD2-SD 4.33Å; F304-M357 HydrophobicContact CE1-CE 4.38Å; F304-M357 HydrophobicContact CE2-CE 3.6Å; F304-M357 HydrophobicContact CE2-SD 3.68Å; F304-M357 HydrophobicContact CZ-CE 3.38Å; F304-M357 HydrophobicContact CZ-SD 3.93Å; F318-M357 HydrophobicContact CD2-CE 4.31Å; F318-M357 HydrophobicContact CE2-CE 3.81Å; F318-M357 HydrophobicContact CZ-CE 4.19Å; S352-M357 CarbonylContact C-O 3.4Å; S352-M357 PolarHBondContact O-N 3.32Å
358K83.4Confident91Very high170 Ų17046.8 Ų46.874%0.73923%0.232SC*.  trans-86-29.2-175.7-63.6-177.6179.9-1800113.6Y299 I360Y299-K358 PolarHBondContact OH-N 3.17Å; K358-I360 PolarHBondContact O-N 3.47Å
359D85.5Confident90.5Very high82 Ų8248 Ų4844%0.43924%0.237SC..  trans-105.640.2-171.4-46.3-54.9000111.6R281 Y299R281-D359 WeakPolarHBondContact CD-O 3.25Å; Y299-D359 HydrophobicContact CE2-CB 4.3Å; Y299-D359 PolarHBondContact OH-N 3.09Å
360I91.1Very high89.6Confident2 Ų247.1 Ų47.11%0.0124%0.244CC..  trans-78.4-24.8177.2-165.459.7000111.8L280 R281 L282 Y299 T300 I348 E349 K358L280-I360 CarbonylContact C-O 3.5Å; L280-I360 WeakPolarHBondContact CA-O 3.3Å; L280-I360 HydrophobicContact CD2-CG1 4.41Å; R281-I360 WeakPolarHBondContact CB-O 3.31Å; R281-I360 PolarHBondContact N-O 3.02Å; L282-I360 HydrophobicContact CD2-CD1 4.49Å; Y299-I360 HydrophobicContact CD1-CD1 4.01Å; Y299-I360 HydrophobicContact CE1-CB 4.42Å; Y299-I360 HydrophobicContact CE1-CD1 4.19Å; T300-I360 HydrophobicContact CG2-CD1 3.81Å; I348-I360 HydrophobicContact CG2-CG1 3.88Å; E349-I360 HydrophobicContact CB-CG2 4.5Å; K358-I360 PolarHBondContact O-N 3.47Å
361R92.8Very high88.3Confident31 Ų3149.9 Ų49.912%0.11726%0.255CS..EExtended strand (participates in β ladder)trans-96.9139.7174.9-61.9-70.8-75.7-988.4109.9Y278 D279 D346 E349Y278-R361 HydrophobicContact CD1-CB 3.98Å; Y278-R361 HydrophobicContact CD1-CG 4.28Å; Y278-R361 HydrophobicContact CD2-CB 4.36Å; Y278-R361 HydrophobicContact CE1-CB 3.35Å; Y278-R361 HydrophobicContact CE1-CG 3.76Å; Y278-R361 HydrophobicContact CE2-CB 3.79Å; Y278-R361 HydrophobicContact CG-CB 4.45Å; Y278-R361 VanDerWaalsContact O-CZ 3.29Å; Y278-R361 PolarHBondContact O-NE 3.44Å; Y278-R361 PolarHBondContact O-NH2 3.18Å; Y278-R361 WeakPolarHBondContact OH-CB 3.44Å; D279-R361 CarbonylContact O-C 3.6Å; D279-R361 VanDerWaalsContact O-CA 3.24Å; D279-R361 WeakPolarHBondContact O-CA 3.44Å; D346-R361 IonicContact OD1-NH1 2.71Å; D346-R361 PolarHBondContact OD1-NH1 3.1Å; E349-R361 HydrophobicContact CB-CG 4.31Å; E349-R361 HydrophobicContact CG-CG 4.13Å; E349-R361 WeakPolarHBondContact OE2-CG 3.45Å; E349-R361 IonicContact OE2-CZ 3.19Å; E349-R361 IonicContact OE2-NE 3.62Å; E349-R361 IonicContact OE2-NH1 2.76Å; E349-R361 PolarHBondContact OE2-NH1 3.23Å
362I93.1Very high87.2Confident16 Ų1658.5 Ų58.58%0.08229%0.291CS..EExtended strand (participates in β ladder)trans-132.9148.3-179.658.5170.4000109.8W232 Y278 D279 R281W232-I362 HydrophobicContact CH2-CB 4.31Å; W232-I362 HydrophobicContact CH2-CD1 3.42Å; W232-I362 VanDerWaalsContact CH2-CD1 3.42Å; W232-I362 HydrophobicContact CH2-CG1 4.44Å; W232-I362 HydrophobicContact CH2-CG2 3.88Å; W232-I362 HydrophobicContact CZ2-CD1 4.39Å; W232-I362 HydrophobicContact CZ2-CG2 3.88Å; W232-I362 HydrophobicContact CZ3-CD1 3.72Å; Y278-I362 CarbonylContact C-O 3.56Å; Y278-I362 WeakPolarHBondContact CA-O 3.38Å; D279-I362 PolarHBondContact N-O 3.29Å; D279-I362 WeakPolarHBondContact O-CG1 3.37Å; D279-I362 PolarHBondContact O-N 3.21Å; R281-I362 HydrophobicContact CB-CG2 3.91Å; R281-I362 HydrophobicContact CG-CG2 3.97Å
363Q94.7Very high86.8Confident65 Ų6560.8 Ų60.830%0.30430%0.304SS..EExtended strand (participates in β ladder)trans-78.2125.4168-60.1177.334.200107.8Y242 I246 F276 Y278Y242-Q363 WeakPolarHBondContact CE1-O 3.44Å; Y242-Q363 PolarHBondContact OH-O 3.4Å; I246-Q363 HydrophobicContact CD1-CB 3.84Å; I246-Q363 WeakPolarHBondContact CD1-O 3.39Å; I246-Q363 HydrophobicContact CG2-CB 4.29Å; F276-Q363 HydrophobicContact CE2-CB 4Å; F276-Q363 HydrophobicContact CZ-CB 3.98Å; F276-Q363 HydrophobicContact CZ-CG 4.02Å; Y278-Q363 HydrophobicContact CD2-CG 3.91Å; Y278-Q363 HydrophobicContact CE2-CG 4.17Å
364T95.7Very high86.7Confident2 Ų257.9 Ų57.91%0.01229%0.291CS..EExtended strand (participates in β ladder)trans-153.6-175.2-179.6-168.50000109.8E277 D279 L376E277-T364 PolarHBondContact N-O 3.19Å; E277-T364 CarbonylContact O-C 3.49Å; E277-T364 PolarHBondContact O-N 2.91Å; D279-T364 HydrophobicContact CB-CG2 3.78Å; T364-L376 HydrophobicContact CG2-CD2 4.24Å
365F96.2Very high86.9Confident4 Ų452.4 Ų52.42%0.01827%0.267CS..EExtended strand (participates in β ladder)trans-127.1141.7175.2-61.6-89.7000110.5W222 I225 I246 V249 Q250 V253 I274 S275 F276 A377W222-F365 HydrophobicContact CZ3-CB 3.98Å; I225-F365 HydrophobicContact CD1-CB 4.06Å; I225-F365 HydrophobicContact CD1-CD1 4.11Å; I225-F365 HydrophobicContact CD1-CD2 4.12Å; I225-F365 HydrophobicContact CD1-CG 3.84Å; I225-F365 HydrophobicContact CG1-CD2 3.95Å; I225-F365 HydrophobicContact CG1-CE2 4.32Å; I225-F365 HydrophobicContact CG1-CG 4.19Å; I225-F365 HydrophobicContact CG2-CB 3.83Å; I225-F365 HydrophobicContact CG2-CD2 3.8Å; I225-F365 HydrophobicContact CG2-CG 4.11Å; I246-F365 HydrophobicContact CG1-CE2 4.19Å; I246-F365 HydrophobicContact CG2-CE2 4.36Å; I246-F365 HydrophobicContact CG2-CZ 4.4Å; V249-F365 HydrophobicContact CB-CE2 4.27Å; V249-F365 HydrophobicContact CB-CZ 4.12Å; V249-F365 HydrophobicContact CG1-CE1 4.47Å; V249-F365 HydrophobicContact CG1-CE2 3.92Å; V249-F365 HydrophobicContact CG1-CZ 3.81Å; Q250-F365 HydrophobicContact CB-CE1 4.42Å; Q250-F365 HydrophobicContact CB-CZ 4.19Å; V253-F365 HydrophobicContact CB-CE1 4.31Å; V253-F365 HydrophobicContact CG2-CD1 3.97Å; V253-F365 HydrophobicContact CG2-CE1 3.67Å; V253-F365 HydrophobicContact CG2-CZ 4.48Å; I274-F365 HydrophobicContact CG2-CB 4.41Å; I274-F365 HydrophobicContact CG2-CD1 4.31Å; S275-F365 CarbonylContact O-C 3.6Å; S275-F365 VanDerWaalsContact O-CA 3.26Å; S275-F365 WeakPolarHBondContact O-CA 3.29Å; F276-F365 HydrophobicContact CB-CD1 4.08Å; F276-F365 HydrophobicContact CB-CE1 3.89Å; F276-F365 HydrophobicContact CD2-CD1 4.2Å; F276-F365 AromaticContact CD2-CE1 3.69Å; F276-F365 HydrophobicContact CD2-CE1 3.69Å; F276-F365 AromaticContact CD2-CZ 3.87Å; F276-F365 HydrophobicContact CD2-CZ 3.87Å; F276-F365 HydrophobicContact CG-CE1 4.29Å; F365-A377 PolarHBondContact O-N 2.94Å
366G94.4Very high87.2Confident0 Ų048.7 Ų48.70%025%0.252CS..EExtended strand (participates in β ladder)trans-107.8145.2169.800000110.7I274 S275 F375I274-G366 WeakPolarHBondContact CA-O 3.44Å; S275-G366 PolarHBondContact N-O 3.07Å; S275-G366 PolarHBondContact O-N 3.3Å; S275-G366 PolarHBondContact OG-O 3.15Å; G366-F375 WeakPolarHBondContact CA-O 3.43Å
367V91.9Very high87.7Confident0 Ų045.9 Ų45.90%022%0.223CC..EExtended strand (participates in β ladder)trans-115.5137.817071.30000110.2W222 M272 R273 I274 F369 S374 F375W222-V367 HydrophobicContact CD2-CB 3.94Å; W222-V367 HydrophobicContact CD2-CG1 4.2Å; W222-V367 HydrophobicContact CD2-CG2 4.35Å; W222-V367 VanDerWaalsContact CE2-CG1 3.47Å; W222-V367 HydrophobicContact CE3-CB 4.03Å; W222-V367 HydrophobicContact CH2-CB 3.77Å; W222-V367 HydrophobicContact CH2-CG1 3.78Å; W222-V367 HydrophobicContact CZ2-CB 3.68Å; W222-V367 HydrophobicContact CZ2-CG1 3.26Å; W222-V367 HydrophobicContact CZ3-CB 3.94Å; W222-V367 HydrophobicContact CZ3-CG1 4.43Å; M272-V367 HydrophobicContact CE-CG2 3.6Å; M272-V367 HydrophobicContact CG-CG2 3.72Å; R273-V367 WeakPolarHBondContact O-CA 3.34Å; I274-V367 HydrophobicContact CG1-CG2 4.3Å; V367-F369 HydrophobicContact CB-CZ 4.46Å; V367-F369 HydrophobicContact CG1-CD2 4.23Å; V367-F369 HydrophobicContact CG1-CE2 3.58Å; V367-F369 HydrophobicContact CG1-CZ 3.8Å; V367-F369 HydrophobicContact CG2-CD1 4.29Å; V367-F369 HydrophobicContact CG2-CE1 3.78Å; V367-F369 HydrophobicContact CG2-CE2 4.22Å; V367-F369 HydrophobicContact CG2-CZ 3.76Å; V367-S374 VanDerWaalsContact O-CA 3.27Å; V367-S374 WeakPolarHBondContact O-CA 3.39Å; V367-F375 HydrophobicContact CG1-CB 3.96Å; V367-F375 HydrophobicContact CG1-CD2 4.39Å; V367-F375 PolarHBondContact N-O 2.84Å; V367-F375 PolarHBondContact O-N 3.43Å
368H88.8Confident88.1Confident72 Ų7246.2 Ų46.233%0.33323%0.226SC..EExtended strand (participates in β ladder)trans-113.9118.4172.9-66.477.3000109.4R273 E277 S374R273-H368 PolarHBondContact N-O 3.36Å; R273-H368 PolarHBondContact O-N 3.05Å; E277-H368 IonicContact OE1-CE1 2.67Å; H368-S374 PolarHBondContact CD2-OG 2.8Å; H368-S374 PolarHBondContact CE1-OG 3.45Å; H368-S374 PolarHBondContact NE2-OG 2.7Å
369F82.7Confident88.7Confident28 Ų2838.1 Ų38.112%0.12319%0.191CC..EExtended strand (participates in β ladder)trans-103101170.2-57.4-63.6000109.2M272 V367 N373 F375 R411 L414M272-F369 HydrophobicContact CB-CD1 4.43Å; M272-F369 HydrophobicContact CB-CE1 4.49Å; M272-F369 HydrophobicContact CE-CE1 3.9Å; M272-F369 HydrophobicContact CE-CZ 4.25Å; M272-F369 HydrophobicContact CG-CD1 4.13Å; M272-F369 HydrophobicContact CG-CE1 3.81Å; M272-F369 HydrophobicContact SD-CE1 4.06Å; V367-F369 HydrophobicContact CB-CZ 4.46Å; V367-F369 HydrophobicContact CG1-CD2 4.23Å; V367-F369 HydrophobicContact CG1-CE2 3.58Å; V367-F369 HydrophobicContact CG1-CZ 3.8Å; V367-F369 HydrophobicContact CG2-CD1 4.29Å; V367-F369 HydrophobicContact CG2-CE1 3.78Å; V367-F369 HydrophobicContact CG2-CE2 4.22Å; V367-F369 HydrophobicContact CG2-CZ 3.76Å; F369-N373 HydrophobicContact CB-CB 4.13Å; F369-N373 PolarHBondContact N-O 3.33Å; F369-F375 AromaticContact CD2-CD2 3.62Å; F369-F375 HydrophobicContact CD2-CD2 3.62Å; F369-F375 AromaticContact CD2-CE2 3.69Å; F369-F375 HydrophobicContact CD2-CE2 3.69Å; F369-F375 AromaticContact CE2-CD2 3.68Å; F369-F375 HydrophobicContact CE2-CD2 3.68Å; F369-F375 HydrophobicContact CE2-CE2 4.01Å; F369-R411 HydrophobicContact CD1-CG 4Å; F369-R411 HydrophobicContact CE1-CG 3.49Å; F369-R411 VanDerWaalsContact CE1-CG 3.49Å; F369-R411 HydrophobicContact CZ-CG 4.11Å; F369-L414 HydrophobicContact CD2-CD2 4.41Å
370G73.3Confident89.1Confident40 Ų4034.5 Ų34.541%0.41217%0.171SC..THydrogen-bonded Turntrans56.9-141-177.200000112.4
371F66.7Low89.4Confident183 Ų18334.4 Ų34.480%0.80317%0.171SC*.THydrogen-bonded Turntrans-83.9-41.6-168.6-61.6-79000115.8I269I269-F371 HydrophobicContact CG1-CE2 4.15Å; I269-F371 HydrophobicContact CG1-CZ 4.21Å; I269-F371 HydrophobicContact CG2-CE2 4.1Å
372K69.4Low89.6Confident184 Ų18434.2 Ų34.280%0.817%0.171SC*.THydrogen-bonded Turntrans-108.7-16.1-166.1-74.4-174.6179.4176.80114.9
373N80.9Confident89.7Confident48 Ų4833.5 Ų33.526%0.25717%0.167SC..EExtended strand (participates in β ladder)trans-107.895.9-168.7-66.9-25.6000108.7F369 F375 L414F369-N373 HydrophobicContact CB-CB 4.13Å; F369-N373 PolarHBondContact N-O 3.33Å; N373-F375 HydrophobicContact CB-CE2 3.82Å; N373-F375 HydrophobicContact CB-CZ 4.33Å; N373-L414 WeakPolarHBondContact ND2-CD1 3.37Å
374S88.4Confident89.8Confident29 Ų2930.4 Ų30.420%0.20315%0.153CC..EExtended strand (participates in β ladder)trans-113.1136.5170.1-177.50000108.5V367 H368V367-S374 VanDerWaalsContact O-CA 3.27Å; V367-S374 WeakPolarHBondContact O-CA 3.39Å; H368-S374 PolarHBondContact CD2-OG 2.8Å; H368-S374 PolarHBondContact CE1-OG 3.45Å; H368-S374 PolarHBondContact NE2-OG 2.7Å
375F93.1Very high89.8Confident1 Ų130.5 Ų30.50%0.00415%0.154CC..EExtended strand (participates in β ladder)trans-137.5139.1-178.5-58.2-83.5000109.6H287 G366 V367 F369 N373 M380 L414 L417 L418 I421H287-F375 AromaticContact CE1-CD1 3.39Å; H287-F375 WeakPolarHBondContact CE1-CD1 3.43Å; H287-F375 AromaticContact CE1-CE1 3.5Å; H287-F375 AromaticContact NE2-CD1 3.63Å; G366-F375 WeakPolarHBondContact CA-O 3.43Å; V367-F375 HydrophobicContact CG1-CB 3.96Å; V367-F375 HydrophobicContact CG1-CD2 4.39Å; V367-F375 PolarHBondContact N-O 2.84Å; V367-F375 PolarHBondContact O-N 3.43Å; F369-F375 AromaticContact CD2-CD2 3.62Å; F369-F375 HydrophobicContact CD2-CD2 3.62Å; F369-F375 AromaticContact CD2-CE2 3.69Å; F369-F375 HydrophobicContact CD2-CE2 3.69Å; F369-F375 AromaticContact CE2-CD2 3.68Å; F369-F375 HydrophobicContact CE2-CD2 3.68Å; F369-F375 HydrophobicContact CE2-CE2 4.01Å; N373-F375 HydrophobicContact CB-CE2 3.82Å; N373-F375 HydrophobicContact CB-CZ 4.33Å; F375-M380 HydrophobicContact CB-CG 4.39Å; F375-M380 HydrophobicContact CB-SD 4.11Å; F375-M380 HydrophobicContact CG-SD 4.21Å; F375-L414 HydrophobicContact CE2-CD2 4.23Å; F375-L417 HydrophobicContact CD1-CD2 4.15Å; F375-L417 HydrophobicContact CD2-CD2 4.38Å; F375-L417 HydrophobicContact CE1-CD2 3.75Å; F375-L417 HydrophobicContact CE1-CG 4.42Å; F375-L417 HydrophobicContact CE2-CD2 3.97Å; F375-L417 HydrophobicContact CG-CD2 4.46Å; F375-L417 HydrophobicContact CZ-CD2 3.65Å; F375-L418 HydrophobicContact CE1-CD2 4.49Å; F375-I421 HydrophobicContact CD1-CD1 4.13Å; F375-I421 HydrophobicContact CE1-CD1 3.78Å
376L95.4Very high89.7Confident2 Ų230.6 Ų30.61%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-83.6155.9166.5-64.9170.6000110Y285 T364 S378 D379 M380Y285-L376 HydrophobicContact CD1-CD1 4.42Å; Y285-L376 HydrophobicContact CE1-CD1 3.6Å; T364-L376 HydrophobicContact CG2-CD2 4.24Å; L376-S378 PolarHBondContact O-N 3.36Å; L376-D379 WeakPolarHBondContact CB-OD2 3.46Å; L376-D379 PolarHBondContact N-OD2 3.24Å; L376-D379 WeakPolarHBondContact O-CB 3.31Å; L376-D379 PolarHBondContact O-N 3.33Å; L376-M380 PolarHBondContact O-N 3.26Å
377A96.4Very high89.7Confident0 Ų031.2 Ų31.20%016%0.159CC..Hα-helixtrans-56.7-40176.800000111.8W222 I225 T229 F365 D379 M380 V381W222-A377 HydrophobicContact CH2-CB 3.89Å; W222-A377 HydrophobicContact CZ3-CB 4.29Å; I225-A377 HydrophobicContact CG2-CB 3.61Å; T229-A377 HydrophobicContact CG2-CB 4Å; T229-A377 WeakPolarHBondContact OG1-CB 3.39Å; F365-A377 PolarHBondContact O-N 2.94Å; A377-D379 VanDerWaalsContact C-N 3.29Å; A377-D379 PolarHBondContact O-N 3.29Å; A377-M380 WeakPolarHBondContact O-CB 3.35Å; A377-M380 PolarHBondContact O-N 2.96Å; A377-V381 WeakPolarHBondContact O-CG2 3.32Å; A377-V381 PolarHBondContact O-N 3.47Å; A377-V381 VanDerWaalsContact O-N 3.11Å
378S95.9Very high89.7Confident12 Ų1232 Ų328%0.08416%0.163CC..Hα-helixtrans-64.1-31.6176.154.40000113.4L376 M380 V381 H382L376-S378 PolarHBondContact O-N 3.36Å; S378-M380 VanDerWaalsContact C-N 3.35Å; S378-V381 PolarHBondContact O-N 3.11Å; S378-H382 PolarHBondContact O-CD2 3.22Å; S378-H382 PolarHBondContact O-N 3.02Å
379D95.6Very high89.8Confident0 Ų029.4 Ų29.40%015%0.151CC..Hα-helixtrans-67.1-41.3178.4-58.5-30.8000110.4L284 H287 L376 A377 A383L284-D379 WeakPolarHBondContact CA-OD1 3.45Å; L284-D379 HydrophobicContact CD2-CB 3.92Å; L284-D379 PolarHBondContact N-OD1 2.79Å; H287-D379 IonicContact CD2-OD2 3.34Å; H287-D379 IonicContact NE2-OD2 3.83Å; H287-D379 PolarHBondContact NE2-OD2 3.39Å; L376-D379 WeakPolarHBondContact CB-OD2 3.46Å; L376-D379 PolarHBondContact N-OD2 3.24Å; L376-D379 WeakPolarHBondContact O-CB 3.31Å; L376-D379 PolarHBondContact O-N 3.33Å; A377-D379 VanDerWaalsContact C-N 3.29Å; A377-D379 PolarHBondContact O-N 3.29Å; D379-A383 WeakPolarHBondContact O-CB 3.48Å; D379-A383 PolarHBondContact O-N 3.33Å
380M95.6Very high89.9Confident5 Ų529.1 Ų29.13%0.02515%0.153CC..Hα-helixtrans-63.5-44.4175.3-59.8-66.9-65.600111.4W222 I226 F375 L376 A377 S378 A383 A384 L409 L417W222-M380 HydrophobicContact CZ2-CG 3.75Å; I226-M380 HydrophobicContact CD1-CB 3.75Å; I226-M380 HydrophobicContact CD1-CE 4.1Å; I226-M380 HydrophobicContact CD1-CG 3.97Å; I226-M380 HydrophobicContact CG1-CB 3.98Å; I226-M380 HydrophobicContact CG1-CG 4.37Å; I226-M380 HydrophobicContact CG2-CB 4.42Å; F375-M380 HydrophobicContact CB-CG 4.39Å; F375-M380 HydrophobicContact CB-SD 4.11Å; F375-M380 HydrophobicContact CG-SD 4.21Å; L376-M380 PolarHBondContact O-N 3.26Å; A377-M380 WeakPolarHBondContact O-CB 3.35Å; A377-M380 PolarHBondContact O-N 2.96Å; S378-M380 VanDerWaalsContact C-N 3.35Å; M380-A383 PolarHBondContact O-N 3.19Å; M380-A384 WeakPolarHBondContact O-CB 3.48Å; M380-A384 PolarHBondContact O-N 3.2Å; M380-L409 HydrophobicContact CE-CD2 4.43Å; M380-L417 HydrophobicContact CE-CD1 3.82Å; M380-L417 HydrophobicContact CE-CD2 3.88Å; M380-L417 HydrophobicContact CE-CG 4.48Å; M380-L417 HydrophobicContact SD-CD1 3.59Å; M380-L417 VanDerWaalsContact SD-CD1 3.59Å; M380-L417 HydrophobicContact SD-CD2 3.48Å; M380-L417 WeakPolarHBondContact SD-CD2 3.35Å; M380-L417 HydrophobicContact SD-CG 4.16Å
381V97Very high90.3Very high0 Ų029.3 Ų29.30%015%0.146CC..Hα-helixtrans-59.7-50.6177.31730000110.7I27 I226 T229 D230 V233 A377 S378 A383 A384 A385I27-V381 HydrophobicContact CG2-CG2 4.38Å; I226-V381 HydrophobicContact CG2-CG2 3.78Å; I226-V381 WeakPolarHBondContact O-CG2 3.2Å; T229-V381 HydrophobicContact CG2-CG2 4.03Å; D230-V381 HydrophobicContact CB-CG1 4.3Å; D230-V381 HydrophobicContact CB-CG2 4.33Å; V233-V381 HydrophobicContact CB-CG1 4.16Å; V233-V381 HydrophobicContact CG1-CG1 4.17Å; V233-V381 HydrophobicContact CG2-CG1 4.33Å; A377-V381 WeakPolarHBondContact O-CG2 3.32Å; A377-V381 PolarHBondContact O-N 3.47Å; A377-V381 VanDerWaalsContact O-N 3.11Å; S378-V381 PolarHBondContact O-N 3.11Å; V381-A383 VanDerWaalsContact C-N 3.3Å; V381-A383 PolarHBondContact O-N 2.87Å; V381-A384 PolarHBondContact O-N 3.36Å; V381-A385 VanDerWaalsContact O-CB 3.22Å; V381-A385 WeakPolarHBondContact O-CB 3.36Å; V381-A385 PolarHBondContact O-N 3.18Å
382H96Very high90.3Very high28 Ų2826.2 Ų26.213%0.1313%0.134CC..Hα-helixtrans-61-39.6179.3-76.4-50.3000112.5L284 S378 A386 A424L284-H382 HydrophobicContact CD2-CB 4.16Å; S378-H382 PolarHBondContact O-CD2 3.22Å; S378-H382 PolarHBondContact O-N 3.02Å; H382-A386 WeakPolarHBondContact O-CB 3.48Å; H382-A386 PolarHBondContact O-N 3.43Å; H382-A386 VanDerWaalsContact O-N 3.12Å; H382-A424 HydrophobicContact CB-CB 4.1Å; H382-A424 WeakPolarHBondContact O-CB 3.34Å
383A96.1Very high89.9Confident0 Ų025.7 Ų25.70%013%0.127CC..Hα-helixtrans-67.5-47.4177.800000112.5D379 M380 V381 A386 L387 L417 I421D379-A383 WeakPolarHBondContact O-CB 3.48Å; D379-A383 PolarHBondContact O-N 3.33Å; M380-A383 PolarHBondContact O-N 3.19Å; V381-A383 VanDerWaalsContact C-N 3.3Å; V381-A383 PolarHBondContact O-N 2.87Å; A383-A386 PolarHBondContact O-N 3.28Å; A383-L387 WeakPolarHBondContact O-CG 3.44Å; A383-L387 PolarHBondContact O-N 3.31Å; A383-L387 VanDerWaalsContact O-N 3.08Å; A383-L417 HydrophobicContact CB-CD1 3.68Å; A383-I421 HydrophobicContact CB-CG1 3.69Å
384A95.9Very high88.4Confident0 Ų031.4 Ų31.40%016%0.157CC..Hα-helixtrans-63.3-44.2178.300000111.4I27 M380 V381 A386 L387 L388I27-A384 HydrophobicContact CG1-CB 4.16Å; I27-A384 HydrophobicContact CG2-CB 4.37Å; M380-A384 WeakPolarHBondContact O-CB 3.48Å; M380-A384 PolarHBondContact O-N 3.2Å; V381-A384 PolarHBondContact O-N 3.36Å; A384-A386 VanDerWaalsContact C-N 3.3Å; A384-A386 PolarHBondContact O-N 3.13Å; A384-L387 PolarHBondContact O-N 3Å; A384-L388 WeakPolarHBondContact O-CB 3.2Å; A384-L388 PolarHBondContact O-N 2.6Å
385A95.2Very high86.6Confident4 Ų438.5 Ų38.53%0.03319%0.187CC..Hα-helixtrans-60.3-38176.300000112.6I27 V381 E389I27-A385 HydrophobicContact CD1-CB 3.73Å; I27-A385 HydrophobicContact CG1-CB 4.26Å; V381-A385 VanDerWaalsContact O-CB 3.22Å; V381-A385 WeakPolarHBondContact O-CB 3.36Å; V381-A385 PolarHBondContact O-N 3.18Å; A385-E389 PolarHBondContact O-N 3.49Å
386A94.5Very high85.2Confident6 Ų642.2 Ų42.25%0.0521%0.207CC..Hα-helixtrans-73.3-31.3178.400000113.1H382 A383 A384 S390 L423 A424H382-A386 WeakPolarHBondContact O-CB 3.48Å; H382-A386 PolarHBondContact O-N 3.43Å; H382-A386 VanDerWaalsContact O-N 3.12Å; A383-A386 PolarHBondContact O-N 3.28Å; A384-A386 VanDerWaalsContact C-N 3.3Å; A384-A386 PolarHBondContact O-N 3.13Å; A386-S390 PolarHBondContact O-N 2.91Å; A386-L423 HydrophobicContact CB-CB 3.83Å; A386-A424 HydrophobicContact CB-CB 3.89Å
387L94Very high84.4Confident13 Ų1346.1 Ų46.17%0.06823%0.228CC..Hα-helixtrans-71.1-41.7173.3-72.3168.2000111.6A383 A384 E389 S390 A405 L423A383-L387 WeakPolarHBondContact O-CG 3.44Å; A383-L387 PolarHBondContact O-N 3.31Å; A383-L387 VanDerWaalsContact O-N 3.08Å; A384-L387 PolarHBondContact O-N 3Å; L387-E389 VanDerWaalsContact C-N 3.34Å; L387-E389 PolarHBondContact O-N 2.88Å; L387-S390 WeakPolarHBondContact O-CB 3.39Å; L387-S390 PolarHBondContact O-N 3.01Å; L387-A405 HydrophobicContact CB-CB 4.13Å; L387-L423 HydrophobicContact CD2-CD1 4.07Å
388L93.1Very high83.8Confident17 Ų1749.1 Ų49.19%0.08925%0.248CC..Hα-helixtrans-62.9-39.3-178.2-169.860.9000112.4A25 L30 A384 N401 F402 A405 L469A25-L388 HydrophobicContact CB-CD1 4.32Å; A25-L388 VanDerWaalsContact O-CD2 3.29Å; A25-L388 WeakPolarHBondContact O-CD2 3.46Å; L30-L388 HydrophobicContact CD1-CD1 4.49Å; L30-L388 HydrophobicContact CD1-CD2 4.33Å; A384-L388 WeakPolarHBondContact O-CB 3.2Å; A384-L388 PolarHBondContact O-N 2.6Å; L388-N401 WeakPolarHBondContact O-CB 3.34Å; L388-F402 HydrophobicContact CD1-CB 4.21Å; L388-F402 HydrophobicContact CD1-CD2 4.14Å; L388-A405 HydrophobicContact CB-CB 4.22Å; L388-A405 HydrophobicContact CD1-CB 4.31Å; L388-L469 HydrophobicContact CD2-CD1 4.17Å
389E90.1Very high83.5Confident18 Ų1851.4 Ų51.48%0.08426%0.261CS..THydrogen-bonded Turntrans-101.319.8179-64-171.1135.100113.9A385 L387 T391 K427 K467 L469 A470A385-E389 PolarHBondContact O-N 3.49Å; L387-E389 VanDerWaalsContact C-N 3.34Å; L387-E389 PolarHBondContact O-N 2.88Å; E389-T391 PolarHBondContact O-N 3.01Å; E389-K427 IonicContact OE2-NZ 3.73Å; E389-K427 PolarHBondContact OE2-NZ 2.89Å; E389-K467 HydrophobicContact CB-CB 4.1Å; E389-K467 HydrophobicContact CB-CG 4.18Å; E389-K467 HydrophobicContact CG-CB 4Å; E389-K467 HydrophobicContact CG-CG 4.49Å; E389-K467 WeakPolarHBondContact OE1-CB 3.42Å; E389-L469 VanDerWaalsContact CD-CB 3.46Å; E389-L469 HydrophobicContact CG-CD1 4.18Å; E389-L469 VanDerWaalsContact OE1-CA 3.3Å; E389-L469 WeakPolarHBondContact OE1-CA 3.26Å; E389-L469 WeakPolarHBondContact OE1-CB 3.28Å; E389-L469 PolarHBondContact OE1-N 3.37Å; E389-A470 PolarHBondContact OE1-N 3.46Å; E389-A470 VanDerWaalsContact OE2-CB 3.3Å; E389-A470 WeakPolarHBondContact OE2-CB 3.2Å; E389-A470 PolarHBondContact OE2-N 3.1Å
390S86.2Confident83.3Confident22 Ų2254.6 Ų54.615%0.15428%0.278CS..  trans-62.1134.9-177.6-170.90000111.9A386 L387 N401A386-S390 PolarHBondContact O-N 2.91Å; L387-S390 WeakPolarHBondContact O-CB 3.39Å; L387-S390 PolarHBondContact O-N 3.01Å; S390-N401 PolarHBondContact O-ND2 3.3Å; S390-N401 VanDerWaalsContact O-ND2 3.07Å
391T80.4Confident83.1Confident44 Ų4455 Ų5527%0.2728%0.28SS..  trans-114.514.117866.60000112.6E389 R393 L464E389-T391 PolarHBondContact O-N 3.01Å; T391-R393 VanDerWaalsContact C-N 3.35Å; T391-R393 PolarHBondContact O-N 3.37Å; T391-L464 HydrophobicContact CG2-CD2 4.48Å
392E67.3Low83Confident118 Ų11855 Ų5555%0.55128%0.281SS*.  trans-79.7-4.6-169.9-70.3-154.2164.300115L423 K426E392-L423 HydrophobicContact CG-CD2 4.08Å; E392-L423 WeakPolarHBondContact OE1-CD2 3.46Å; E392-K426 IonicContact OE1-NZ 2.85Å; E392-K426 PolarHBondContact OE1-NZ 3.31Å
393R60.8Low82.9Confident173 Ų17356.6 Ų56.665%0.65329%0.289SS*.SBendtrans-126.7141178.1-64.4-172.5-177.5-174-0.2111.7T391 E395 N396T391-R393 VanDerWaalsContact C-N 3.35Å; T391-R393 PolarHBondContact O-N 3.37Å; R393-E395 PolarHBondContact O-N 2.97Å; R393-N396 PolarHBondContact O-ND2 3.12Å; R393-N396 PolarHBondContact O-OD1 2.93Å
394D49.3Very low82.8Confident168 Ų16858.6 Ų58.690%0.89830%0.298SS*.SBendtrans-69-19.2178.3-71.8-41.1000112.9N396D394-N396 PolarHBondContact O-N 3.34Å
395E51.7Low82.8Confident178 Ų17858.6 Ų58.683%0.83230%0.298SS*.SBendtrans-87.672.5168-67.8178171.900109.9R393 D397R393-E395 PolarHBondContact O-N 2.97Å; E395-D397 VanDerWaalsContact C-N 3.33Å; E395-D397 PolarHBondContact O-N 3.5Å; E395-D397 VanDerWaalsContact O-N 3.09Å
396N62.8Low82.8Confident79 Ų7958.7 Ų58.742%0.42230%0.298SS..  trans-81.969.9-179.2-74.8-57000111.7R393 D394 P398R393-N396 PolarHBondContact O-ND2 3.12Å; R393-N396 PolarHBondContact O-OD1 2.93Å; D394-N396 PolarHBondContact O-N 3.34Å; N396-P398 VanDerWaalsContact O-CD 3.32Å; N396-P398 WeakPolarHBondContact O-CD 3.22Å
397D79.1Confident82.7Confident84 Ų8460.7 Ų60.745%0.44931%0.308SS..  trans-79.9114.8165.1-173.5-7.1000109.3E395 T399 D400 N401E395-D397 VanDerWaalsContact C-N 3.33Å; E395-D397 PolarHBondContact O-N 3.5Å; E395-D397 VanDerWaalsContact O-N 3.09Å; D397-T399 PolarHBondContact O-N 2.95Å; D397-T399 VanDerWaalsContact O-N 3.16Å; D397-T399 WeakPolarHBondContact OD1-CB 3.41Å; D397-T399 PolarHBondContact OD1-N 3.28Å; D397-T399 PolarHBondContact OD1-OG1 2.89Å; D397-D400 HydrophobicContact CB-CB 4.27Å; D397-D400 PolarHBondContact O-N 2.85Å; D397-D400 VanDerWaalsContact O-N 3.15Å; D397-N401 PolarHBondContact O-N 3.27Å
398P84.2Confident82.8Confident63 Ų6360.2 Ų60.241%0.40931%0.305SS..Hα-helixtrans-55.1-30.3176-23.134.5000112.9T53 N396 N401 F402T53-P398 HydrophobicContact CG2-CB 3.85Å; N396-P398 VanDerWaalsContact O-CD 3.32Å; N396-P398 WeakPolarHBondContact O-CD 3.22Å; P398-N401 PolarHBondContact O-N 3.49Å; P398-F402 PolarHBondContact O-N 3.06Å
399T89.1Confident82.8Confident59 Ų5959.7 Ų59.736%0.36230%0.302SS..Hα-helixtrans-65.5-43.3179.1-41.60000111.4P51 D397 N401 F402 I403P51-T399 HydrophobicContact CG-CG2 3.99Å; D397-T399 PolarHBondContact O-N 2.95Å; D397-T399 VanDerWaalsContact O-N 3.16Å; D397-T399 WeakPolarHBondContact OD1-CB 3.41Å; D397-T399 PolarHBondContact OD1-N 3.28Å; D397-T399 PolarHBondContact OD1-OG1 2.89Å; T399-N401 VanDerWaalsContact C-N 3.35Å; T399-N401 PolarHBondContact O-N 3.39Å; T399-F402 WeakPolarHBondContact O-CB 3.39Å; T399-F402 PolarHBondContact O-N 3.49Å; T399-I403 WeakPolarHBondContact O-CG1 3.36Å; T399-I403 PolarHBondContact O-N 3.45Å
400D90.9Very high82.8Confident68 Ų6859.8 Ų59.836%0.36431%0.305SS..Hα-helixtrans-66.4-38.9178.5-175.327.1000111D397 F402 I403 K404D397-D400 HydrophobicContact CB-CB 4.27Å; D397-D400 PolarHBondContact O-N 2.85Å; D397-D400 VanDerWaalsContact O-N 3.15Å; D400-F402 PolarHBondContact O-N 2.62Å; D400-I403 PolarHBondContact O-N 2.83Å; D400-K404 VanDerWaalsContact CG-CE 3.43Å; D400-K404 VanDerWaalsContact CG-NZ 3.32Å; D400-K404 WeakPolarHBondContact O-CB 3.32Å; D400-K404 VanDerWaalsContact O-CG 3.25Å; D400-K404 WeakPolarHBondContact O-CG 3.46Å; D400-K404 PolarHBondContact O-N 2.96Å; D400-K404 VanDerWaalsContact OD1-CE 3.29Å; D400-K404 WeakPolarHBondContact OD1-CE 3.42Å; D400-K404 IonicContact OD1-NZ 3.67Å; D400-K404 WeakPolarHBondContact OD2-CE 3.46Å; D400-K404 IonicContact OD2-NZ 3.77Å; D400-K404 PolarHBondContact OD2-NZ 3.12Å
401N92.2Very high82.7Confident13 Ų1364.1 Ų64.17%0.0732%0.318CS..Hα-helixtrans-63.5-41.1173.6-74.8-9.4000112.3L388 S390 D397 P398 T399 K404 A405L388-N401 WeakPolarHBondContact O-CB 3.34Å; S390-N401 PolarHBondContact O-ND2 3.3Å; S390-N401 VanDerWaalsContact O-ND2 3.07Å; D397-N401 PolarHBondContact O-N 3.27Å; P398-N401 PolarHBondContact O-N 3.49Å; T399-N401 VanDerWaalsContact C-N 3.35Å; T399-N401 PolarHBondContact O-N 3.39Å; N401-K404 PolarHBondContact O-N 3.24Å; N401-A405 WeakPolarHBondContact O-CB 3.3Å; N401-A405 PolarHBondContact O-N 3.3Å
402F94.6Very high82.9Confident1 Ų167.5 Ų67.50%0.00434%0.343CS..Hα-helixtrans-59.4-49.4174.5-177.2-83.1000111.5V23 A25 L30 L49 P51 L388 P398 T399 D400 K404 A405 L406V23-F402 HydrophobicContact CB-CE2 4.42Å; V23-F402 HydrophobicContact CB-CZ 3.92Å; V23-F402 HydrophobicContact CG1-CE2 4.08Å; V23-F402 HydrophobicContact CG1-CZ 3.72Å; A25-F402 HydrophobicContact CB-CD2 4.24Å; L30-F402 HydrophobicContact CD2-CD1 4.08Å; L30-F402 HydrophobicContact CD2-CD2 3.78Å; L30-F402 HydrophobicContact CD2-CE1 3.76Å; L30-F402 HydrophobicContact CD2-CE2 3.44Å; L30-F402 VanDerWaalsContact CD2-CE2 3.44Å; L30-F402 HydrophobicContact CD2-CG 4.09Å; L30-F402 HydrophobicContact CD2-CZ 3.44Å; L30-F402 VanDerWaalsContact CD2-CZ 3.44Å; L30-F402 HydrophobicContact CG-CE2 4.2Å; L30-F402 HydrophobicContact CG-CZ 4.47Å; L49-F402 HydrophobicContact CD1-CE1 4.46Å; L49-F402 HydrophobicContact CD2-CE1 4.26Å; P51-F402 HydrophobicContact CB-CB 4.03Å; P51-F402 HydrophobicContact CB-CD1 3.7Å; P51-F402 HydrophobicContact CB-CD2 3.81Å; P51-F402 HydrophobicContact CB-CE1 4.04Å; P51-F402 HydrophobicContact CB-CE2 4.12Å; P51-F402 HydrophobicContact CB-CG 3.57Å; P51-F402 HydrophobicContact CB-CZ 4.23Å; P51-F402 HydrophobicContact CG-CB 4.24Å; P51-F402 HydrophobicContact CG-CD1 3.36Å; P51-F402 HydrophobicContact CG-CD2 4.41Å; P51-F402 HydrophobicContact CG-CE1 3.69Å; P51-F402 HydrophobicContact CG-CG 3.77Å; P51-F402 HydrophobicContact CG-CZ 4.33Å; L388-F402 HydrophobicContact CD1-CB 4.21Å; L388-F402 HydrophobicContact CD1-CD2 4.14Å; P398-F402 PolarHBondContact O-N 3.06Å; T399-F402 WeakPolarHBondContact O-CB 3.39Å; T399-F402 PolarHBondContact O-N 3.49Å; D400-F402 PolarHBondContact O-N 2.62Å; F402-K404 PolarHBondContact O-N 3.49Å; F402-A405 PolarHBondContact O-N 2.91Å; F402-L406 HydrophobicContact CE1-CD2 4.23Å; F402-L406 WeakPolarHBondContact O-CB 3.48Å; F402-L406 PolarHBondContact O-N 2.95Å
403I94.4Very high83.8Confident60 Ų6063.7 Ų63.731%0.30833%0.327SS..Hα-helixtrans-65-39.4179.2-62.2-62000111.5L49 T399 D400 A405 L406 D407L49-I403 HydrophobicContact CD2-CD1 4.18Å; T399-I403 WeakPolarHBondContact O-CG1 3.36Å; T399-I403 PolarHBondContact O-N 3.45Å; D400-I403 PolarHBondContact O-N 2.83Å; I403-A405 VanDerWaalsContact C-N 3.34Å; I403-A405 PolarHBondContact O-N 3.43Å; I403-L406 HydrophobicContact CD1-CD2 4.36Å; I403-L406 PolarHBondContact O-N 2.96Å; I403-D407 WeakPolarHBondContact O-CB 3.25Å; I403-D407 PolarHBondContact O-N 3.28Å
404K93.4Very high85.1Confident42 Ų4257.2 Ų57.218%0.18331%0.305CS..Hα-helixtrans-59.5-43.9173.8-75.2169.8-166.6150.50112.2D400 N401 F402 S408D400-K404 VanDerWaalsContact CG-CE 3.43Å; D400-K404 VanDerWaalsContact CG-NZ 3.32Å; D400-K404 WeakPolarHBondContact O-CB 3.32Å; D400-K404 VanDerWaalsContact O-CG 3.25Å; D400-K404 WeakPolarHBondContact O-CG 3.46Å; D400-K404 PolarHBondContact O-N 2.96Å; D400-K404 VanDerWaalsContact OD1-CE 3.29Å; D400-K404 WeakPolarHBondContact OD1-CE 3.42Å; D400-K404 IonicContact OD1-NZ 3.67Å; D400-K404 WeakPolarHBondContact OD2-CE 3.46Å; D400-K404 IonicContact OD2-NZ 3.77Å; D400-K404 PolarHBondContact OD2-NZ 3.12Å; N401-K404 PolarHBondContact O-N 3.24Å; F402-K404 PolarHBondContact O-N 3.49Å; K404-S408 PolarHBondContact O-N 3.05Å; K404-S408 VanDerWaalsContact O-N 3.13Å
405A94.9Very high87.1Confident0 Ų055.4 Ų55.40%030%0.296CS..Hα-helixtrans-65.8-45.2177.100000110.9L30 L387 L388 N401 F402 I403 D407 S408L30-A405 HydrophobicContact CD1-CB 3.67Å; L387-A405 HydrophobicContact CB-CB 4.13Å; L388-A405 HydrophobicContact CB-CB 4.22Å; L388-A405 HydrophobicContact CD1-CB 4.31Å; N401-A405 WeakPolarHBondContact O-CB 3.3Å; N401-A405 PolarHBondContact O-N 3.3Å; F402-A405 PolarHBondContact O-N 2.91Å; I403-A405 VanDerWaalsContact C-N 3.34Å; I403-A405 PolarHBondContact O-N 3.43Å; A405-D407 VanDerWaalsContact C-N 3.34Å; A405-D407 PolarHBondContact O-N 2.9Å; A405-S408 WeakPolarHBondContact O-CB 3.43Å; A405-S408 PolarHBondContact O-N 2.89Å; A405-S408 VanDerWaalsContact O-N 3.16Å; A405-S408 PolarHBondContact O-OG 3.17Å
406L95.4Very high89Confident6 Ų651.2 Ų51.23%0.03127%0.272CS..Hα-helixtrans-58.9-43.3177.1-169.269000112.4L30 C33 K34 L49 F402 I403 S408 L409L30-L406 HydrophobicContact CB-CD1 4.37Å; L30-L406 HydrophobicContact CD2-CB 3.9Å; L30-L406 HydrophobicContact CD2-CD1 3.78Å; L30-L406 HydrophobicContact CD2-CG 4.44Å; C33-L406 HydrophobicContact CB-CD1 4.46Å; K34-L406 HydrophobicContact CD-CD1 3.43Å; K34-L406 VanDerWaalsContact CD-CD1 3.43Å; K34-L406 HydrophobicContact CD-CG 3.69Å; K34-L406 HydrophobicContact CG-CD1 3.57Å; K34-L406 HydrophobicContact CG-CG 4.37Å; L49-L406 HydrophobicContact CD2-CD2 3.78Å; F402-L406 HydrophobicContact CE1-CD2 4.23Å; F402-L406 WeakPolarHBondContact O-CB 3.48Å; F402-L406 PolarHBondContact O-N 2.95Å; I403-L406 HydrophobicContact CD1-CD2 4.36Å; I403-L406 PolarHBondContact O-N 2.96Å; L406-S408 VanDerWaalsContact C-N 3.32Å; L406-S408 PolarHBondContact O-N 2.85Å; L406-L409 PolarHBondContact O-N 2.66Å
407D94.1Very high90.4Very high49 Ų4947.5 Ų47.526%0.26225%0.252SS..Hα-helixtrans-69.1-31178.6-77.4-17.1000112.4I403 A405 L409 S410 R416I403-D407 WeakPolarHBondContact O-CB 3.25Å; I403-D407 PolarHBondContact O-N 3.28Å; A405-D407 VanDerWaalsContact C-N 3.34Å; A405-D407 PolarHBondContact O-N 2.9Å; D407-L409 PolarHBondContact O-N 3.09Å; D407-S410 WeakPolarHBondContact O-CB 3.43Å; D407-S410 PolarHBondContact O-N 3.3Å; D407-S410 PolarHBondContact O-OG 3.22Å; D407-R416 VanDerWaalsContact CG-NH1 3.31Å; D407-R416 IonicContact OD2-CZ 3.2Å; D407-R416 IonicContact OD2-NH1 3.78Å; D407-R416 PolarHBondContact OD2-NH1 2.93Å; D407-R416 IonicContact OD2-NH2 3.32Å
408S94.4Very high91.1Very high2 Ų246.5 Ų46.51%0.01425%0.246CC..Hα-helixtrans-65.2-21.7178.4800000113.9K404 A405 L406 S410K404-S408 PolarHBondContact O-N 3.05Å; K404-S408 VanDerWaalsContact O-N 3.13Å; A405-S408 WeakPolarHBondContact O-CB 3.43Å; A405-S408 PolarHBondContact O-N 2.89Å; A405-S408 VanDerWaalsContact O-N 3.16Å; A405-S408 PolarHBondContact O-OG 3.17Å; L406-S408 VanDerWaalsContact C-N 3.32Å; L406-S408 PolarHBondContact O-N 2.85Å; S408-S410 PolarHBondContact O-N 2.68Å
409L92.9Very high91.5Very high6 Ų646.6 Ų46.63%0.03125%0.248CC..THydrogen-bonded Turntrans-75-11.8175-62.4175.8000112.8L30 K34 W223 I226 M380 L406 D407L30-L409 HydrophobicContact CB-CD1 4.01Å; K34-L409 HydrophobicContact CG-CB 4.37Å; K34-L409 HydrophobicContact CG-CD1 3.94Å; W223-L409 PolarHBondContact NE1-O 2.9Å; I226-L409 HydrophobicContact CD1-CD2 4Å; I226-L409 HydrophobicContact CG2-CD2 4.49Å; M380-L409 HydrophobicContact CE-CD2 4.43Å; L406-L409 PolarHBondContact O-N 2.66Å; D407-L409 PolarHBondContact O-N 3.09Å
410S90.1Very high91.8Very high20 Ų2043.8 Ų43.814%0.1423%0.231CC..SBendtrans-88137-179.1-50.50000111.2K34 D407 S408 S412 N413K34-S410 PolarHBondContact NZ-OG 3.11Å; D407-S410 WeakPolarHBondContact O-CB 3.43Å; D407-S410 PolarHBondContact O-N 3.3Å; D407-S410 PolarHBondContact O-OG 3.22Å; S408-S410 PolarHBondContact O-N 2.68Å; S410-S412 PolarHBondContact O-N 2.92Å; S410-S412 VanDerWaalsContact O-N 3.1Å; S410-N413 PolarHBondContact O-N 2.94Å; S410-N413 VanDerWaalsContact O-N 3.11Å
411R84.5Confident92Very high114 Ų11440.6 Ų40.643%0.4321%0.214SC..THydrogen-bonded Turntrans-57.8-26.4177.1-67.1-172.1-76.5137.7-3.4114.1D219 F369 N413D219-R411 VanDerWaalsContact CG-NE 3.34Å; D219-R411 VanDerWaalsContact OD1-CD 3.24Å; D219-R411 WeakPolarHBondContact OD1-CD 3.39Å; D219-R411 IonicContact OD1-CZ 3.86Å; D219-R411 IonicContact OD1-NE 3.56Å; D219-R411 PolarHBondContact OD1-NE 3.23Å; D219-R411 IonicContact OD1-NH2 2.62Å; D219-R411 IonicContact OD2-CZ 2.71Å; D219-R411 IonicContact OD2-NE 3.68Å; D219-R411 PolarHBondContact OD2-NE 2.91Å; D219-R411 VanDerWaalsContact OD2-NE 3.13Å; D219-R411 IonicContact OD2-NH2 2.53Å; D219-R411 PolarHBondContact OD2-NH2 3.36Å; F369-R411 HydrophobicContact CD1-CG 4Å; F369-R411 HydrophobicContact CE1-CG 3.49Å; F369-R411 VanDerWaalsContact CE1-CG 3.49Å; F369-R411 HydrophobicContact CZ-CG 4.11Å; R411-N413 PolarHBondContact O-N 3.3Å
412S84.9Confident92.2Very high114 Ų11444.2 Ų44.280%0.79723%0.233SC*.THydrogen-bonded Turntrans-68.3-20.1179.950.90000113.6S410S410-S412 PolarHBondContact O-N 2.92Å; S410-S412 VanDerWaalsContact O-N 3.1Å
413N86.6Confident92.2Very high38 Ų3845.2 Ų45.220%0.20324%0.239CC..  trans-128.155.8-167.3-153.7-15000113.3S410 R411 D415 R416S410-N413 PolarHBondContact O-N 2.94Å; S410-N413 VanDerWaalsContact O-N 3.11Å; R411-N413 PolarHBondContact O-N 3.3Å; N413-D415 PolarHBondContact O-N 2.92Å; N413-R416 WeakPolarHBondContact ND2-CD 3.28Å; N413-R416 PolarHBondContact ND2-NE 2.87Å; N413-R416 VanDerWaalsContact ND2-NE 3.15Å; N413-R416 PolarHBondContact O-N 2.75Å; N413-R416 WeakPolarHBondContact OD1-CG 3.36Å
414L87.6Confident92.2Very high37 Ų3742.5 Ų42.519%0.19423%0.226CC..Hα-helixtrans-64.1-24.9179.2-64.4177.5000113.3F369 N373 F375 R416 L417 L418F369-L414 HydrophobicContact CD2-CD2 4.41Å; N373-L414 WeakPolarHBondContact ND2-CD1 3.37Å; F375-L414 HydrophobicContact CE2-CD2 4.23Å; L414-R416 VanDerWaalsContact C-N 3.35Å; L414-R416 PolarHBondContact O-N 2.9Å; L414-L417 HydrophobicContact CD2-CD2 4.14Å; L414-L417 WeakPolarHBondContact O-CB 3.48Å; L414-L417 PolarHBondContact O-N 3.42Å; L414-L418 VanDerWaalsContact O-CG 3.32Å; L414-L418 WeakPolarHBondContact O-CG 3.49Å; L414-L418 PolarHBondContact O-N 2.85Å
415D91.3Very high92.4Very high131 Ų13142.1 Ų42.170%0.70122%0.224SC*.Hα-helixtrans-64.6-40.7179.3-65.9-28.6000111.5N413 L418 S419N413-D415 PolarHBondContact O-N 2.92Å; D415-L418 PolarHBondContact O-N 2.87Å; D415-S419 PolarHBondContact O-N 3Å
416R91.3Very high92.3Very high90 Ų9047.5 Ų47.534%0.3425%0.247SC..Hα-helixtrans-65.2-41.9174.1-72.6-171.4-170.4176.88.5111.7D407 N413 L414 S419 G420D407-R416 VanDerWaalsContact CG-NH1 3.31Å; D407-R416 IonicContact OD2-CZ 3.2Å; D407-R416 IonicContact OD2-NH1 3.78Å; D407-R416 PolarHBondContact OD2-NH1 2.93Å; D407-R416 IonicContact OD2-NH2 3.32Å; N413-R416 WeakPolarHBondContact ND2-CD 3.28Å; N413-R416 PolarHBondContact ND2-NE 2.87Å; N413-R416 VanDerWaalsContact ND2-NE 3.15Å; N413-R416 PolarHBondContact O-N 2.75Å; N413-R416 WeakPolarHBondContact OD1-CG 3.36Å; L414-R416 VanDerWaalsContact C-N 3.35Å; L414-R416 PolarHBondContact O-N 2.9Å; R416-S419 WeakPolarHBondContact O-CB 3.45Å; R416-S419 PolarHBondContact O-N 3.11Å; R416-G420 PolarHBondContact O-N 3.3Å
417L92.4Very high92.3Very high1 Ų148.2 Ų48.21%0.00525%0.25CC..Hα-helixtrans-59.2-47.2174.817566000111.5F375 M380 A383 L414 S419 G420 I421F375-L417 HydrophobicContact CD1-CD2 4.15Å; F375-L417 HydrophobicContact CD2-CD2 4.38Å; F375-L417 HydrophobicContact CE1-CD2 3.75Å; F375-L417 HydrophobicContact CE1-CG 4.42Å; F375-L417 HydrophobicContact CE2-CD2 3.97Å; F375-L417 HydrophobicContact CG-CD2 4.46Å; F375-L417 HydrophobicContact CZ-CD2 3.65Å; M380-L417 HydrophobicContact CE-CD1 3.82Å; M380-L417 HydrophobicContact CE-CD2 3.88Å; M380-L417 HydrophobicContact CE-CG 4.48Å; M380-L417 HydrophobicContact SD-CD1 3.59Å; M380-L417 VanDerWaalsContact SD-CD1 3.59Å; M380-L417 HydrophobicContact SD-CD2 3.48Å; M380-L417 WeakPolarHBondContact SD-CD2 3.35Å; M380-L417 HydrophobicContact SD-CG 4.16Å; A383-L417 HydrophobicContact CB-CD1 3.68Å; L414-L417 HydrophobicContact CD2-CD2 4.14Å; L414-L417 WeakPolarHBondContact O-CB 3.48Å; L414-L417 PolarHBondContact O-N 3.42Å; L417-S419 VanDerWaalsContact C-N 3.34Å; L417-S419 PolarHBondContact O-N 3.44Å; L417-G420 CarbonylContact O-C 3.59Å; L417-G420 WeakPolarHBondContact O-CA 3.08Å; L417-G420 PolarHBondContact O-N 3.02Å; L417-G420 VanDerWaalsContact O-N 3.1Å; L417-I421 HydrophobicContact CG-CD1 4.31Å; L417-I421 WeakPolarHBondContact O-CG1 3.38Å; L417-I421 PolarHBondContact O-N 2.98Å
418L92.8Very high92.3Very high62 Ų6246.5 Ų46.533%0.32524%0.241SC..Hα-helixtrans-63.1-40178.3-70.5172000112F375 L414 D415 G420 I421 D422F375-L418 HydrophobicContact CE1-CD2 4.49Å; L414-L418 VanDerWaalsContact O-CG 3.32Å; L414-L418 WeakPolarHBondContact O-CG 3.49Å; L414-L418 PolarHBondContact O-N 2.85Å; D415-L418 PolarHBondContact O-N 2.87Å; L418-G420 VanDerWaalsContact C-N 3.32Å; L418-G420 PolarHBondContact O-N 3.27Å; L418-I421 HydrophobicContact CD2-CD1 4.35Å; L418-I421 WeakPolarHBondContact O-CB 3.38Å; L418-I421 PolarHBondContact O-N 3.05Å; L418-D422 PolarHBondContact O-N 3.4Å; L418-D422 VanDerWaalsContact O-N 3.12Å
419S93.9Very high92.4Very high65 Ų6549.1 Ų49.146%0.45525%0.254SS..Hα-helixtrans-60.5-41.9171.1-173.20000111.7D415 R416 L417 I421 D422 L423D415-S419 PolarHBondContact O-N 3Å; R416-S419 WeakPolarHBondContact O-CB 3.45Å; R416-S419 PolarHBondContact O-N 3.11Å; L417-S419 VanDerWaalsContact C-N 3.34Å; L417-S419 PolarHBondContact O-N 3.44Å; S419-I421 VanDerWaalsContact C-N 3.34Å; S419-I421 PolarHBondContact O-N 2.71Å; S419-D422 PolarHBondContact O-N 3.32Å; S419-L423 WeakPolarHBondContact O-CG 3.39Å; S419-L423 PolarHBondContact O-N 3.49Å
420G94.9Very high92.5Very high0 Ų049 Ų490%025%0.254CS..Hα-helixtrans-62-39.5175.200000112.7R416 L417 L418 D422 L423 A424R416-G420 PolarHBondContact O-N 3.3Å; L417-G420 CarbonylContact O-C 3.59Å; L417-G420 WeakPolarHBondContact O-CA 3.08Å; L417-G420 PolarHBondContact O-N 3.02Å; L417-G420 VanDerWaalsContact O-N 3.1Å; L418-G420 VanDerWaalsContact C-N 3.32Å; L418-G420 PolarHBondContact O-N 3.27Å; G420-D422 VanDerWaalsContact C-N 3.33Å; G420-D422 PolarHBondContact O-N 3.44Å; G420-L423 PolarHBondContact O-N 3.36Å; G420-A424 WeakPolarHBondContact O-CB 3.33Å; G420-A424 PolarHBondContact O-N 3Å
421I95.5Very high92.7Very high2 Ų248.1 Ų48.11%0.0125%0.248CC..Hα-helixtrans-61.8-40.9174.7-70.7169.5000111H287 F375 A383 L417 L418 S419 A424 K425H287-I421 HydrophobicContact CB-CG2 3.72Å; F375-I421 HydrophobicContact CD1-CD1 4.13Å; F375-I421 HydrophobicContact CE1-CD1 3.78Å; A383-I421 HydrophobicContact CB-CG1 3.69Å; L417-I421 HydrophobicContact CG-CD1 4.31Å; L417-I421 WeakPolarHBondContact O-CG1 3.38Å; L417-I421 PolarHBondContact O-N 2.98Å; L418-I421 HydrophobicContact CD2-CD1 4.35Å; L418-I421 WeakPolarHBondContact O-CB 3.38Å; L418-I421 PolarHBondContact O-N 3.05Å; S419-I421 VanDerWaalsContact C-N 3.34Å; S419-I421 PolarHBondContact O-N 2.71Å; I421-A424 WeakPolarHBondContact O-CB 3.41Å; I421-A424 PolarHBondContact O-N 2.82Å; I421-K425 WeakPolarHBondContact O-CG 3.45Å; I421-K425 PolarHBondContact O-N 2.78Å
422D95.4Very high93.2Very high88 Ų8843.6 Ų43.647%0.47123%0.231SC..Hα-helixtrans-69.4-36.7178.2-72.9-25.5000112.3L418 S419 G420 K425 K426L418-D422 PolarHBondContact O-N 3.4Å; L418-D422 VanDerWaalsContact O-N 3.12Å; S419-D422 PolarHBondContact O-N 3.32Å; G420-D422 VanDerWaalsContact C-N 3.33Å; G420-D422 PolarHBondContact O-N 3.44Å; D422-K425 PolarHBondContact O-N 2.8Å; D422-K425 IonicContact OD1-NZ 2.75Å; D422-K425 PolarHBondContact OD1-NZ 3Å; D422-K426 PolarHBondContact O-N 3.02Å
423L94.7Very high93.6Very high23 Ų2343.5 Ų43.512%0.1222%0.218CC..Hα-helixtrans-63.9-40.6169.7-66.6176000111.9A386 L387 E392 S419 G420 K425 K426 K427A386-L423 HydrophobicContact CB-CB 3.83Å; L387-L423 HydrophobicContact CD2-CD1 4.07Å; E392-L423 HydrophobicContact CG-CD2 4.08Å; E392-L423 WeakPolarHBondContact OE1-CD2 3.46Å; S419-L423 WeakPolarHBondContact O-CG 3.39Å; S419-L423 PolarHBondContact O-N 3.49Å; G420-L423 PolarHBondContact O-N 3.36Å; L423-K425 VanDerWaalsContact C-N 3.33Å; L423-K425 PolarHBondContact O-N 2.92Å; L423-K426 WeakPolarHBondContact O-CB 3.34Å; L423-K426 PolarHBondContact O-N 3.29Å; L423-K426 VanDerWaalsContact O-N 3.17Å; L423-K427 PolarHBondContact O-N 3.27Å
424A95.9Very high94.1Very high3 Ų342 Ų423%0.02521%0.21CC..Hα-helixtrans-62.4-39.3177.500000112L284 H382 A386 G420 I421 K427 L428L284-A424 HydrophobicContact CD1-CB 3.88Å; H382-A424 HydrophobicContact CB-CB 4.1Å; H382-A424 WeakPolarHBondContact O-CB 3.34Å; A386-A424 HydrophobicContact CB-CB 3.89Å; G420-A424 WeakPolarHBondContact O-CB 3.33Å; G420-A424 PolarHBondContact O-N 3Å; I421-A424 WeakPolarHBondContact O-CB 3.41Å; I421-A424 PolarHBondContact O-N 2.82Å; A424-K427 PolarHBondContact O-N 3.03Å; A424-L428 WeakPolarHBondContact O-CG 3.1Å; A424-L428 PolarHBondContact O-N 2.82Å
425K95.9Very high94.4Very high33 Ų3340.2 Ų40.214%0.14320%0.201CC..Hα-helixtrans-60-46.2172.6-68.1170-167.5158.50111.6L284 H287 W288 I421 D422 L423 K427 L428 I429L284-K425 HydrophobicContact CD1-CG 3.88Å; H287-K425 VanDerWaalsContact O-CE 3.31Å; H287-K425 WeakPolarHBondContact O-CE 3.46Å; H287-K425 PolarHBondContact O-NZ 2.95Å; W288-K425 HydrophobicContact CB-CD 4.41Å; W288-K425 HydrophobicContact CD2-CD 4.37Å; W288-K425 HydrophobicContact CD2-CG 4.13Å; W288-K425 HydrophobicContact CE3-CB 4Å; W288-K425 HydrophobicContact CE3-CD 3.9Å; W288-K425 HydrophobicContact CE3-CG 3.6Å; W288-K425 HydrophobicContact CH2-CB 4.48Å; W288-K425 HydrophobicContact CH2-CG 4.38Å; W288-K425 HydrophobicContact CZ3-CB 3.74Å; W288-K425 HydrophobicContact CZ3-CD 4.48Å; W288-K425 HydrophobicContact CZ3-CG 3.74Å; I421-K425 WeakPolarHBondContact O-CG 3.45Å; I421-K425 PolarHBondContact O-N 2.78Å; D422-K425 PolarHBondContact O-N 2.8Å; D422-K425 IonicContact OD1-NZ 2.75Å; D422-K425 PolarHBondContact OD1-NZ 3Å; L423-K425 VanDerWaalsContact C-N 3.33Å; L423-K425 PolarHBondContact O-N 2.92Å; K425-K427 PolarHBondContact O-N 3.4Å; K425-L428 PolarHBondContact O-N 2.9Å; K425-I429 WeakPolarHBondContact O-CD1 3.43Å; K425-I429 VanDerWaalsContact O-CG1 3.26Å; K425-I429 WeakPolarHBondContact O-CG1 3.5Å; K425-I429 PolarHBondContact O-N 2.79Å
426K94.6Very high94.5Very high114 Ų11435.1 Ų35.150%0.49618%0.177SC..Hα-helixtrans-58.8-47.2175.9-65.5-179-169.8178.50110.8E392 D422 L423 L428 I429 A430E392-K426 IonicContact OE1-NZ 2.85Å; E392-K426 PolarHBondContact OE1-NZ 3.31Å; D422-K426 PolarHBondContact O-N 3.02Å; L423-K426 WeakPolarHBondContact O-CB 3.34Å; L423-K426 PolarHBondContact O-N 3.29Å; L423-K426 VanDerWaalsContact O-N 3.17Å; K426-L428 PolarHBondContact O-N 2.94Å; K426-I429 PolarHBondContact O-N 3.46Å; K426-A430 WeakPolarHBondContact O-CB 3.41Å; K426-A430 PolarHBondContact O-N 3.5Å
427K94.3Very high94.6Very high20 Ų2033.8 Ų33.89%0.08718%0.182CC..Hα-helixtrans-58.3-47.9177.8-177.6171.8173.51720111.9E389 L423 A424 K425 I429 A430 I431E389-K427 IonicContact OE2-NZ 3.73Å; E389-K427 PolarHBondContact OE2-NZ 2.89Å; L423-K427 PolarHBondContact O-N 3.27Å; A424-K427 PolarHBondContact O-N 3.03Å; K425-K427 PolarHBondContact O-N 3.4Å; K427-I429 PolarHBondContact O-N 3.43Å; K427-A430 PolarHBondContact O-N 2.9Å; K427-I431 HydrophobicContact CG-CD1 4Å; K427-I431 VanDerWaalsContact O-CG1 3.28Å; K427-I431 WeakPolarHBondContact O-CG1 3.43Å; K427-I431 PolarHBondContact O-N 2.94Å
428L95.3Very high94.6Very high13 Ų1333.9 Ų33.97%0.06818%0.183CC..Hα-helixtrans-64.6-39.8179.4-70.7172.6000112.8A283 L284 W288 N296 A424 K425 K426 I431 Q432A283-L428 HydrophobicContact CB-CD1 3.81Å; L284-L428 HydrophobicContact CD1-CD1 3.89Å; L284-L428 HydrophobicContact CG-CD1 4.34Å; W288-L428 HydrophobicContact CH2-CB 4.35Å; W288-L428 HydrophobicContact CH2-CD1 4.31Å; W288-L428 HydrophobicContact CZ2-CD1 4.4Å; N296-L428 HydrophobicContact CB-CB 4.26Å; A424-L428 WeakPolarHBondContact O-CG 3.1Å; A424-L428 PolarHBondContact O-N 2.82Å; K425-L428 PolarHBondContact O-N 2.9Å; K426-L428 PolarHBondContact O-N 2.94Å; L428-I431 PolarHBondContact O-N 2.78Å; L428-Q432 PolarHBondContact O-N 3.49Å
429I95.4Very high94.6Very high58 Ų5832.3 Ų32.330%0.29717%0.174SC..Hα-helixtrans-63.8-46.4175.2-68.2165.8000110.4W288 K425 K426 K427 I431 Q432 Q433W288-I429 HydrophobicContact CZ3-CD1 4.11Å; W288-I429 HydrophobicContact CZ3-CG1 4.16Å; K425-I429 WeakPolarHBondContact O-CD1 3.43Å; K425-I429 VanDerWaalsContact O-CG1 3.26Å; K425-I429 WeakPolarHBondContact O-CG1 3.5Å; K425-I429 PolarHBondContact O-N 2.79Å; K426-I429 PolarHBondContact O-N 3.46Å; K427-I429 PolarHBondContact O-N 3.43Å; I429-I431 VanDerWaalsContact C-N 3.35Å; I429-I431 PolarHBondContact O-N 3.37Å; I429-Q432 PolarHBondContact O-N 2.86Å; I429-Q433 HydrophobicContact CG2-CG 4.38Å; I429-Q433 VanDerWaalsContact O-CG 3.32Å; I429-Q433 WeakPolarHBondContact O-CG 3.12Å; I429-Q433 PolarHBondContact O-N 3.49Å
430A95.1Very high94.4Very high3 Ų333.4 Ų33.43%0.02518%0.181CC..Hα-helixtrans-62-40.617900000112.1K426 K427 Q433 T434 D461 L464 F465K426-A430 WeakPolarHBondContact O-CB 3.41Å; K426-A430 PolarHBondContact O-N 3.5Å; K427-A430 PolarHBondContact O-N 2.9Å; A430-Q433 PolarHBondContact O-N 3.49Å; A430-T434 WeakPolarHBondContact O-CB 3.5Å; A430-T434 PolarHBondContact O-N 3.34Å; A430-T434 PolarHBondContact O-OG1 3.5Å; A430-D461 HydrophobicContact CB-CB 4.04Å; A430-L464 HydrophobicContact CB-CD1 4.05Å; A430-F465 HydrophobicContact CB-CZ 4.13Å
431I95.1Very high94.2Very high2 Ų237.4 Ų37.41%0.0121%0.205CC..Hα-helixtrans-59.9-51.8174.5-71.8166.3000110.1K427 L428 I429 Q433 T434 V435 F465 L473 L474 Y477K427-I431 HydrophobicContact CG-CD1 4Å; K427-I431 VanDerWaalsContact O-CG1 3.28Å; K427-I431 WeakPolarHBondContact O-CG1 3.43Å; K427-I431 PolarHBondContact O-N 2.94Å; L428-I431 PolarHBondContact O-N 2.78Å; I429-I431 VanDerWaalsContact C-N 3.35Å; I429-I431 PolarHBondContact O-N 3.37Å; I431-Q433 VanDerWaalsContact C-N 3.34Å; I431-Q433 PolarHBondContact O-N 3.24Å; I431-T434 PolarHBondContact O-N 2.94Å; I431-V435 HydrophobicContact CG2-CG2 4.29Å; I431-V435 VanDerWaalsContact O-CG2 3.3Å; I431-V435 WeakPolarHBondContact O-CG2 3.14Å; I431-V435 PolarHBondContact O-N 3.47Å; I431-F465 HydrophobicContact CG1-CE1 3.71Å; I431-F465 HydrophobicContact CG1-CZ 4.27Å; I431-L473 HydrophobicContact CD1-CB 4.42Å; I431-L473 HydrophobicContact CD1-CD2 3.64Å; I431-L473 HydrophobicContact CD1-CG 3.95Å; I431-L474 HydrophobicContact CB-CD1 4.48Å; I431-L474 HydrophobicContact CG1-CB 4.46Å; I431-L474 HydrophobicContact CG2-CD1 3.96Å; I431-Y477 HydrophobicContact CG2-CD1 3.49Å; I431-Y477 VanDerWaalsContact CG2-CD1 3.49Å; I431-Y477 HydrophobicContact CG2-CE1 4.11Å; I431-Y477 HydrophobicContact CG2-CG 4.06Å
432Q94.4Very high93.9Very high19 Ų1942.7 Ų42.79%0.08923%0.234CC..Hα-helixtrans-61.8-41.1-177.817464.2-38.300112.4C295 L428 I429 A436 Y477C295-Q432 PolarHBondContact O-NE2 3.16Å; L428-Q432 PolarHBondContact O-N 3.49Å; I429-Q432 PolarHBondContact O-N 2.86Å; Q432-A436 WeakPolarHBondContact O-CB 3.39Å; Q432-A436 PolarHBondContact O-N 2.86Å; Q432-Y477 PolarHBondContact NE2-OH 2.97Å; Q432-Y477 VanDerWaalsContact OE1-CZ 3.3Å; Q432-Y477 PolarHBondContact OE1-OH 2.91Å
433Q94.2Very high93.7Very high112 Ų11241.6 Ų41.652%0.52323%0.227SC..Hα-helixtrans-64.9-43.5176.5-71.5177.12.600111.9I429 A430 I431 A436 S437I429-Q433 HydrophobicContact CG2-CG 4.38Å; I429-Q433 VanDerWaalsContact O-CG 3.32Å; I429-Q433 WeakPolarHBondContact O-CG 3.12Å; I429-Q433 PolarHBondContact O-N 3.49Å; A430-Q433 PolarHBondContact O-N 3.49Å; I431-Q433 VanDerWaalsContact C-N 3.34Å; I431-Q433 PolarHBondContact O-N 3.24Å; Q433-A436 PolarHBondContact O-N 2.77Å; Q433-S437 WeakPolarHBondContact O-CB 3.26Å; Q433-S437 PolarHBondContact O-N 2.96Å
434T95.1Very high93.6Very high6 Ų641 Ų414%0.03722%0.224CC..Hα-helixtrans-64.4-44.7177.3-59.30000111.2A430 I431 A436 S437 C438 L455 T459 F465 L474A430-T434 WeakPolarHBondContact O-CB 3.5Å; A430-T434 PolarHBondContact O-N 3.34Å; A430-T434 PolarHBondContact O-OG1 3.5Å; I431-T434 PolarHBondContact O-N 2.94Å; T434-A436 PolarHBondContact O-N 3.38Å; T434-S437 WeakPolarHBondContact O-CB 3.27Å; T434-S437 PolarHBondContact O-N 2.66Å; T434-C438 WeakPolarHBondContact O-CB 3.34Å; T434-C438 PolarHBondContact O-N 2.97Å; T434-C438 PolarHBondContact O-SG 2.88Å; T434-L455 HydrophobicContact CG2-CD2 3.99Å; T434-T459 HydrophobicContact CG2-CG2 4.5Å; T434-F465 HydrophobicContact CG2-CE2 4.23Å; T434-F465 WeakPolarHBondContact OG1-CE2 3.47Å; T434-L474 HydrophobicContact CG2-CD1 4.07Å; T434-L474 HydrophobicContact CG2-CD2 3.91Å
435V94.6Very high93.3Very high0 Ų045.2 Ų45.20%025%0.245CC..Hα-helixtrans-58.5-47.4175.1170.40000111.1I431 S437 C438 I439 L474 Y477 L478 A481I431-V435 HydrophobicContact CG2-CG2 4.29Å; I431-V435 VanDerWaalsContact O-CG2 3.3Å; I431-V435 WeakPolarHBondContact O-CG2 3.14Å; I431-V435 PolarHBondContact O-N 3.47Å; V435-S437 VanDerWaalsContact C-N 3.32Å; V435-S437 PolarHBondContact O-N 3.08Å; V435-C438 PolarHBondContact O-N 2.7Å; V435-I439 HydrophobicContact CG1-CD1 3.8Å; V435-I439 WeakPolarHBondContact O-CG1 3.34Å; V435-I439 PolarHBondContact O-N 3.42Å; V435-L474 HydrophobicContact CG2-CD1 3.64Å; V435-Y477 HydrophobicContact CB-CD2 4.35Å; V435-Y477 HydrophobicContact CB-CE2 4.49Å; V435-Y477 HydrophobicContact CG1-CD2 3.97Å; V435-Y477 HydrophobicContact CG1-CE2 4.06Å; V435-Y477 HydrophobicContact CG2-CD2 3.83Å; V435-Y477 HydrophobicContact CG2-CE2 4.38Å; V435-Y477 HydrophobicContact CG2-CG 3.98Å; V435-L478 HydrophobicContact CB-CD1 4.39Å; V435-L478 HydrophobicContact CG1-CD1 4.07Å; V435-L478 HydrophobicContact CG2-CB 4.28Å; V435-L478 HydrophobicContact CG2-CD1 4.32Å; V435-A481 HydrophobicContact CG1-CB 3.7Å
436A93.1Very high93.2Very high24 Ų2446.7 Ų46.720%0.19826%0.26CS..Hα-helixtrans-59.8-43.9177.200000111.6W307 Q432 Q433 T434 C440W307-A436 HydrophobicContact CB-CB 3.66Å; Q432-A436 WeakPolarHBondContact O-CB 3.39Å; Q432-A436 PolarHBondContact O-N 2.86Å; Q433-A436 PolarHBondContact O-N 2.77Å; T434-A436 PolarHBondContact O-N 3.38Å; A436-C440 VanDerWaalsContact O-CB 3.23Å; A436-C440 WeakPolarHBondContact O-CB 3.28Å; A436-C440 PolarHBondContact O-N 3.37Å; A436-C440 PolarHBondContact O-SG 3.05Å
437S93.6Very high93.1Very high62 Ų6244.5 Ų44.543%0.43425%0.251SS..Hα-helixtrans-59.5-49.2175.6-174.50000111.4Q433 T434 V435 I439 C440 T441Q433-S437 WeakPolarHBondContact O-CB 3.26Å; Q433-S437 PolarHBondContact O-N 2.96Å; T434-S437 WeakPolarHBondContact O-CB 3.27Å; T434-S437 PolarHBondContact O-N 2.66Å; V435-S437 VanDerWaalsContact C-N 3.32Å; V435-S437 PolarHBondContact O-N 3.08Å; S437-I439 VanDerWaalsContact C-N 3.35Å; S437-I439 PolarHBondContact O-N 2.7Å; S437-C440 PolarHBondContact O-N 2.97Å; S437-T441 WeakPolarHBondContact O-CB 3.48Å; S437-T441 WeakPolarHBondContact O-CG2 3.39Å; S437-T441 PolarHBondContact O-N 2.81Å; S437-T441 PolarHBondContact O-OG1 3.4Å
438C93.5Very high92.9Very high3 Ų344.6 Ų44.62%0.0226%0.258CS..Hα-helixtrans-61-41.9-177.6-65.30000112.4T434 V435 T441 N442 I443 L478T434-C438 WeakPolarHBondContact O-CB 3.34Å; T434-C438 PolarHBondContact O-N 2.97Å; T434-C438 PolarHBondContact O-SG 2.88Å; V435-C438 PolarHBondContact O-N 2.7Å; C438-T441 PolarHBondContact O-OG1 2.78Å; C438-N442 PolarHBondContact O-N 2.76Å; C438-I443 HydrophobicContact CB-CD1 3.88Å; C438-I443 HydrophobicContact CB-CG1 3.91Å; C438-I443 PolarHBondContact O-N 3.19Å; C438-I443 VanDerWaalsContact SG-CD1 3.56Å; C438-L478 HydrophobicContact CB-CD1 3.69Å; C438-L478 HydrophobicContact CB-CD2 4.35Å
439I91.6Very high92.9Very high28 Ų2844.9 Ų44.914%0.14426%0.261CS..Hα-helixtrans-73-43.3179.6-65.7172.6000111.1W307 V435 S437 T441 N442 I444 L478 A481W307-I439 HydrophobicContact CD2-CD1 4.01Å; W307-I439 HydrophobicContact CE3-CD1 4.37Å; W307-I439 HydrophobicContact CG-CD1 4.45Å; W307-I439 HydrophobicContact CH2-CD1 4.43Å; W307-I439 HydrophobicContact CZ2-CD1 4.08Å; V435-I439 HydrophobicContact CG1-CD1 3.8Å; V435-I439 WeakPolarHBondContact O-CG1 3.34Å; V435-I439 PolarHBondContact O-N 3.42Å; S437-I439 VanDerWaalsContact C-N 3.35Å; S437-I439 PolarHBondContact O-N 2.7Å; I439-T441 PolarHBondContact O-N 3.08Å; I439-N442 PolarHBondContact O-N 3.4Å; I439-I444 HydrophobicContact CG1-CD1 4.28Å; I439-L478 HydrophobicContact CG1-CD1 4.16Å; I439-A481 HydrophobicContact CD1-CB 3.52Å
440C90.1Very high92.9Very high88 Ų8842.1 Ų42.160%0.59525%0.247SC*.Hα-helixtrans-68.7-33.5-178.5-72.50000112.9A436 S437 N442A436-C440 VanDerWaalsContact O-CB 3.23Å; A436-C440 WeakPolarHBondContact O-CB 3.28Å; A436-C440 PolarHBondContact O-N 3.37Å; A436-C440 PolarHBondContact O-SG 3.05Å; S437-C440 PolarHBondContact O-N 2.97Å; C440-N442 VanDerWaalsContact C-N 3.33Å
441T90.9Very high92.9Very high85 Ų8542 Ų4252%0.52125%0.246SC..THydrogen-bonded Turntrans-85.4-7.4176.355.80000113.2S437 C438 I439 I443S437-T441 WeakPolarHBondContact O-CB 3.48Å; S437-T441 WeakPolarHBondContact O-CG2 3.39Å; S437-T441 PolarHBondContact O-N 2.81Å; S437-T441 PolarHBondContact O-OG1 3.4Å; C438-T441 PolarHBondContact O-OG1 2.78Å; I439-T441 PolarHBondContact O-N 3.08Å; T441-I443 VanDerWaalsContact C-N 3.28Å; T441-I443 PolarHBondContact O-N 3.06Å; T441-I443 WeakPolarHBondContact OG1-CG2 3.39Å
442N88.9Confident93Very high113 Ų11342.7 Ų42.760%0.60425%0.248SC*.THydrogen-bonded Turntrans53.941.4179.9-164.451.5000113.4C438 I439 C440 I444C438-N442 PolarHBondContact O-N 2.76Å; I439-N442 PolarHBondContact O-N 3.4Å; C440-N442 VanDerWaalsContact C-N 3.33Å; N442-I444 PolarHBondContact O-N 3.11Å
443I91.4Very high93Very high64 Ų6441.8 Ų41.833%0.32824%0.244SC..  trans-78.8-5.6178.563.1171.1000113.4C438 T441 L445C438-I443 HydrophobicContact CB-CD1 3.88Å; C438-I443 HydrophobicContact CB-CG1 3.91Å; C438-I443 PolarHBondContact O-N 3.19Å; C438-I443 VanDerWaalsContact SG-CD1 3.56Å; T441-I443 VanDerWaalsContact C-N 3.28Å; T441-I443 PolarHBondContact O-N 3.06Å; T441-I443 WeakPolarHBondContact OG1-CG2 3.39Å; I443-L445 PolarHBondContact O-N 3.28Å
444I92.1Very high93Very high11 Ų1138.6 Ų38.66%0.05623%0.228CC..  trans-80.2111.7178-56.8166000108I439 N442 L451 L478 F482I439-I444 HydrophobicContact CG1-CD1 4.28Å; N442-I444 PolarHBondContact O-N 3.11Å; I444-L451 HydrophobicContact CG2-CB 4.27Å; I444-L451 HydrophobicContact CG2-CD2 4.46Å; I444-L478 HydrophobicContact CD1-CD1 3.81Å; I444-L478 HydrophobicContact CD1-CD2 4.36Å; I444-L478 HydrophobicContact CD1-CG 4.02Å; I444-L478 HydrophobicContact CG1-CD2 4.39Å; I444-F482 HydrophobicContact CB-CD2 4.19Å; I444-F482 HydrophobicContact CB-CE2 4.09Å; I444-F482 HydrophobicContact CD1-CB 3.97Å; I444-F482 HydrophobicContact CD1-CD2 3.46Å; I444-F482 VanDerWaalsContact CD1-CD2 3.46Å; I444-F482 HydrophobicContact CD1-CE2 4.2Å; I444-F482 HydrophobicContact CD1-CG 3.95Å; I444-F482 HydrophobicContact CG1-CD2 4.44Å; I444-F482 HydrophobicContact CG2-CD2 3.99Å; I444-F482 HydrophobicContact CG2-CE1 4.48Å; I444-F482 HydrophobicContact CG2-CE2 3.85Å; I444-F482 HydrophobicContact CG2-CG 4.34Å; I444-F482 HydrophobicContact CG2-CZ 4.11Å
445L91.1Very high92.9Very high91 Ų9138.5 Ų38.548%0.47623%0.227SC..EExtended strand (participates in β ladder)trans-105.6134.2-176.1-60.1177.7000110.4I443 L451 Y452I443-L445 PolarHBondContact O-N 3.28Å; L445-L451 CarbonylContact O-C 3.47Å; L445-L451 WeakPolarHBondContact O-CA 3.24Å; L445-Y452 PolarHBondContact N-O 3.02Å; L445-Y452 PolarHBondContact O-N 3.11Å
446S93.3Very high92.7Very high64 Ų6444.1 Ų44.145%0.44826%0.255SS..EExtended strand (participates in β ladder)trans-85.2114.2170.3173.60000109G448S446-G448 VanDerWaalsContact C-N 3.3Å
447Q91.5Very high92.2Very high68 Ų6848.5 Ų48.532%0.31827%0.271SS..  trans-88.72.7179.2-63.4-60.7-16.700113.3P449 F450 I567Q447-P449 VanDerWaalsContact O-CD 3.28Å; Q447-P449 WeakPolarHBondContact O-CD 3.39Å; Q447-F450 HydrophobicContact CB-CD2 4.15Å; Q447-F450 HydrophobicContact CB-CE2 3.79Å; Q447-F450 HydrophobicContact CB-CZ 4.11Å; Q447-F450 HydrophobicContact CG-CD2 4.36Å; Q447-F450 HydrophobicContact CG-CE2 3.82Å; Q447-F450 HydrophobicContact CG-CZ 4.44Å; Q447-F450 PolarHBondContact N-O 3.17Å; Q447-I567 HydrophobicContact CB-CD1 3.85Å; Q447-I567 HydrophobicContact CB-CG1 3.99Å; Q447-I567 HydrophobicContact CG-CD1 4.36Å
448G90.9Very high91.8Very high22 Ų2249.3 Ų49.323%0.22729%0.289CS..SBendtrans113.6-81.7-176.600000110.1S446 R490S446-G448 VanDerWaalsContact C-N 3.3Å; G448-R490 PolarHBondContact O-NH2 2.74Å
449P94.3Very high91.6Very high20 Ų2050.7 Ų50.713%0.1330%0.297CS..SBendtrans-82.3-17.6-179.430.8-32.1000114.1Q447 L494 P495 I567 L570Q447-P449 VanDerWaalsContact O-CD 3.28Å; Q447-P449 WeakPolarHBondContact O-CD 3.39Å; P449-L494 WeakPolarHBondContact O-CD2 3.31Å; P449-P495 WeakPolarHBondContact O-CD 3.23Å; P449-I567 HydrophobicContact CG-CG2 4.45Å; P449-L570 HydrophobicContact CB-CB 3.68Å; P449-L570 WeakPolarHBondContact CB-O 3.36Å; P449-L570 HydrophobicContact CG-CB 3.82Å
450F95.6Very high91.4Very high0 Ų053.7 Ų53.70%032%0.319CS..SBendtrans-145.2165.6177.957.8-97.7000112.6Q447 P495 I497 L563 L566 I567 L570Q447-F450 HydrophobicContact CB-CD2 4.15Å; Q447-F450 HydrophobicContact CB-CE2 3.79Å; Q447-F450 HydrophobicContact CB-CZ 4.11Å; Q447-F450 HydrophobicContact CG-CD2 4.36Å; Q447-F450 HydrophobicContact CG-CE2 3.82Å; Q447-F450 HydrophobicContact CG-CZ 4.44Å; Q447-F450 PolarHBondContact N-O 3.17Å; F450-P495 HydrophobicContact CB-CG 4.01Å; F450-I497 HydrophobicContact CD1-CD1 4.13Å; F450-I497 HydrophobicContact CD2-CB 4.46Å; F450-I497 HydrophobicContact CD2-CD1 3.54Å; F450-I497 HydrophobicContact CD2-CG1 4.01Å; F450-I497 HydrophobicContact CE1-CD1 4.16Å; F450-I497 HydrophobicContact CE2-CD1 3.56Å; F450-I497 HydrophobicContact CE2-CG1 4.42Å; F450-I497 HydrophobicContact CG-CD1 3.84Å; F450-I497 HydrophobicContact CG-CG1 4.34Å; F450-I497 HydrophobicContact CZ-CD1 3.88Å; F450-L563 HydrophobicContact CE2-CD2 4.44Å; F450-L563 HydrophobicContact CZ-CD2 4.4Å; F450-L566 HydrophobicContact CE1-CB 4.34Å; F450-L566 HydrophobicContact CE1-CD2 3.95Å; F450-L566 HydrophobicContact CE1-CG 3.89Å; F450-L566 HydrophobicContact CZ-CD2 4.04Å; F450-L566 HydrophobicContact CZ-CG 4.33Å; F450-I567 HydrophobicContact CE1-CG1 3.83Å; F450-I567 HydrophobicContact CZ-CG1 3.66Å; F450-L570 HydrophobicContact CD1-CD1 3.8Å; F450-L570 HydrophobicContact CE1-CD1 4.19Å
451L96.1Very high91.3Very high1 Ų153.3 Ų53.31%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-90144.8168.5-57.7171.2000109.5I444 L445 L479 F482 C491 L494 P495 L496 I497I444-L451 HydrophobicContact CG2-CB 4.27Å; I444-L451 HydrophobicContact CG2-CD2 4.46Å; L445-L451 CarbonylContact O-C 3.47Å; L445-L451 WeakPolarHBondContact O-CA 3.24Å; L451-L479 HydrophobicContact CD1-CD1 3.97Å; L451-F482 HydrophobicContact CD1-CD1 3.53Å; L451-F482 HydrophobicContact CD1-CE1 3.43Å; L451-F482 VanDerWaalsContact CD1-CE1 3.43Å; L451-F482 HydrophobicContact CD1-CZ 4.42Å; L451-F482 HydrophobicContact CD2-CE1 3.79Å; L451-F482 HydrophobicContact CD2-CZ 4.12Å; L451-F482 HydrophobicContact CG-CE1 4.27Å; L451-C491 HydrophobicContact CD2-CB 4.37Å; L451-L494 HydrophobicContact CD1-CB 4.43Å; L451-L494 HydrophobicContact CD2-CB 4.5Å; L451-L494 HydrophobicContact CD2-CD1 4.19Å; L451-L494 HydrophobicContact CG-CB 3.95Å; L451-L494 HydrophobicContact CG-CD1 4.47Å; L451-P495 WeakPolarHBondContact CB-O 3.48Å; L451-P495 PolarHBondContact N-O 2.88Å; L451-L496 HydrophobicContact CB-CB 4.41Å; L451-L496 HydrophobicContact CB-CD1 3.63Å; L451-L496 WeakPolarHBondContact O-CA 3.39Å; L451-I497 PolarHBondContact O-N 3.19Å
452Y96.1Very high91.2Very high15 Ų1550.2 Ų50.26%0.05929%0.291CS..EExtended strand (participates in β ladder)trans-130.3135.1-179.7-177.1-105.9000111.1L445 I497 A499 R559 L563L445-Y452 PolarHBondContact N-O 3.02Å; L445-Y452 PolarHBondContact O-N 3.11Å; Y452-I497 WeakPolarHBondContact CA-O 3.3Å; Y452-I497 HydrophobicContact CD2-CB 4.12Å; Y452-I497 HydrophobicContact CD2-CG2 4.09Å; Y452-I497 HydrophobicContact CE2-CG2 4.22Å; Y452-A499 HydrophobicContact CE2-CB 4.42Å; Y452-R559 WeakPolarHBondContact OH-CD 3.47Å; Y452-R559 PolarHBondContact OH-NH1 3.37Å; Y452-L563 HydrophobicContact CD2-CD1 4.28Å; Y452-L563 HydrophobicContact CD2-CD2 4Å; Y452-L563 HydrophobicContact CE1-CD1 4.04Å; Y452-L563 HydrophobicContact CE2-CD1 3.77Å; Y452-L563 HydrophobicContact CE2-CD2 3.84Å; Y452-L563 HydrophobicContact CE2-CG 4.46Å
453C95.6Very high91.2Very high0 Ų052.3 Ų52.30%030%0.295CS..EExtended strand (participates in β ladder)trans-136.7136.6173.3-172.20000110.4L478 L496 I497 M498 A499C453-L478 HydrophobicContact CB-CD2 4.12Å; C453-L496 HydrophobicContact CB-CD1 4.34Å; C453-I497 PolarHBondContact N-O 2.94Å; C453-M498 HydrophobicContact CB-CG 4.38Å; C453-M498 WeakPolarHBondContact O-CA 3.38Å; C453-A499 PolarHBondContact O-N 2.93Å
454Y93.8Very high91.1Very high46 Ų4651.2 Ų51.218%0.1829%0.29CS..EExtended strand (participates in β ladder)trans-125.9124177.1179.6-108.3000110.1M456 A499 V509Y454-M456 HydrophobicContact CD1-CE 3.57Å; Y454-M456 HydrophobicContact CD1-CG 4.46Å; Y454-M456 HydrophobicContact CD1-SD 3.62Å; Y454-M456 HydrophobicContact CE1-CE 3.96Å; Y454-M456 HydrophobicContact CE1-SD 3.43Å; Y454-M456 WeakPolarHBondContact CE1-SD 3.49Å; Y454-A499 WeakPolarHBondContact CA-O 3.41Å; Y454-A499 HydrophobicContact CD2-CB 3.72Å; Y454-A499 WeakPolarHBondContact CD2-O 3.32Å; Y454-A499 HydrophobicContact CE2-CB 4.34Å; Y454-V509 HydrophobicContact CE2-CG1 4.01Å
455L93.3Very high91.1Very high3 Ų350.7 Ų50.72%0.01629%0.287CS..  trans-81.5129.9171.8-61.5-175000109.6T434 T459 F465 L474 M498 A499 A500 P501T434-L455 HydrophobicContact CG2-CD2 3.99Å; L455-T459 HydrophobicContact CD2-CG2 4.48Å; L455-F465 HydrophobicContact CD1-CB 3.91Å; L455-F465 HydrophobicContact CD1-CD2 3.98Å; L455-F465 HydrophobicContact CD1-CG 4.15Å; L455-L474 HydrophobicContact CD1-CD2 3.8Å; L455-M498 HydrophobicContact CD1-CE 3.74Å; L455-M498 HydrophobicContact CD2-CE 3.58Å; L455-M498 HydrophobicContact CG-CE 3.55Å; L455-A499 PolarHBondContact N-O 3.4Å; L455-A500 HydrophobicContact CB-CB 4.26Å; L455-A500 HydrophobicContact CD1-CB 4.2Å; L455-P501 WeakPolarHBondContact O-CD 3.48Å
456M89.1Confident91.1Very high119 Ų11947.4 Ų47.459%0.58627%0.272SS*.  trans-84.7153.6174.9-61.6-69.6173.300109.9Y454 G458 T459Y454-M456 HydrophobicContact CD1-CE 3.57Å; Y454-M456 HydrophobicContact CD1-CG 4.46Å; Y454-M456 HydrophobicContact CD1-SD 3.62Å; Y454-M456 HydrophobicContact CE1-CE 3.96Å; Y454-M456 HydrophobicContact CE1-SD 3.43Å; Y454-M456 WeakPolarHBondContact CE1-SD 3.49Å; M456-G458 PolarHBondContact O-N 3.48Å; M456-T459 PolarHBondContact N-OG1 3.38Å; M456-T459 WeakPolarHBondContact O-CB 3.32Å; M456-T459 PolarHBondContact O-N 3.05Å; M456-T459 PolarHBondContact O-OG1 3.4Å
457E83.3Confident91Very high116 Ų11647.8 Ų47.854%0.54227%0.265SS..THydrogen-bonded Turntrans-54.5-37176.2-169.2-165.5141.500113.5T459 V462 M504E457-T459 PolarHBondContact O-N 3.4Å; E457-T459 VanDerWaalsContact O-N 3.08Å; E457-V462 WeakPolarHBondContact O-CG1 3.49Å; E457-M504 HydrophobicContact CG-CE 4.32Å; E457-M504 HydrophobicContact CG-SD 4.21Å; E457-M504 WeakPolarHBondContact OE1-CE 3.37Å; E457-M504 WeakPolarHBondContact OE2-CE 3.43Å
458G85.4Confident91Very high79 Ų7946.1 Ų46.181%0.81426%0.261SS*.THydrogen-bonded Turntrans-71.32.8176.600000114.8M456M456-G458 PolarHBondContact O-N 3.48Å
459T88.6Confident91Very high32 Ų3246.1 Ų46.120%0.19626%0.255CS..SBendtrans-73.8132.1179.2-54.50000109.3T434 L455 M456 E457 D461 V462T434-T459 HydrophobicContact CG2-CG2 4.5Å; L455-T459 HydrophobicContact CD2-CG2 4.48Å; M456-T459 PolarHBondContact N-OG1 3.38Å; M456-T459 WeakPolarHBondContact O-CB 3.32Å; M456-T459 PolarHBondContact O-N 3.05Å; M456-T459 PolarHBondContact O-OG1 3.4Å; E457-T459 PolarHBondContact O-N 3.4Å; E457-T459 VanDerWaalsContact O-N 3.08Å; T459-D461 PolarHBondContact O-N 2.82Å; T459-V462 WeakPolarHBondContact O-CB 3.5Å; T459-V462 PolarHBondContact O-N 3.09Å
460P88.9Confident91Very high91 Ų9145.3 Ų45.359%0.59125%0.25SC*.THydrogen-bonded Turntrans-53.3140.7174.9-25.234000111.7V462P460-V462 PolarHBondContact O-N 3.04Å; P460-V462 VanDerWaalsContact O-N 3.09Å
461D87.7Confident91Very high80 Ų8045.3 Ų45.343%0.42825%0.25SC..THydrogen-bonded Turntrans58.319.4177.3-53.8-46.8000115.6A430 T459 K463 L464 F465A430-D461 HydrophobicContact CB-CB 4.04Å; T459-D461 PolarHBondContact O-N 2.82Å; D461-K463 PolarHBondContact O-N 3.15Å; D461-L464 HydrophobicContact CB-CD1 4Å; D461-L464 HydrophobicContact CB-CG 4.35Å; D461-L464 WeakPolarHBondContact O-CB 3.35Å; D461-L464 PolarHBondContact O-N 2.61Å; D461-F465 HydrophobicContact CB-CE2 4.29Å; D461-F465 WeakPolarHBondContact O-CD2 3.26Å
462V88.6Confident90.9Very high19 Ų1946.3 Ų46.312%0.11526%0.256CS..THydrogen-bonded Turntrans-53.2-32.9-179.470.10000113.3E457 T459 P460 L464 F465 S466 P501E457-V462 WeakPolarHBondContact O-CG1 3.49Å; T459-V462 WeakPolarHBondContact O-CB 3.5Å; T459-V462 PolarHBondContact O-N 3.09Å; P460-V462 PolarHBondContact O-N 3.04Å; P460-V462 VanDerWaalsContact O-N 3.09Å; V462-L464 PolarHBondContact O-N 2.69Å; V462-F465 CarbonylContact O-C 3.54Å; V462-F465 WeakPolarHBondContact O-CA 3.43Å; V462-F465 PolarHBondContact O-N 2.9Å; V462-S466 PolarHBondContact O-N 2.6Å; V462-S466 VanDerWaalsContact O-N 3.08Å; V462-S466 PolarHBondContact O-OG 3.16Å; V462-P501 HydrophobicContact CG2-CG 4.27Å
463K88Confident90.8Very high157 Ų15746.8 Ų46.868%0.68326%0.26SS*.THydrogen-bonded Turntrans-59-33.4176.4-67-173177.1-173.30113D461 F465 S466D461-K463 PolarHBondContact O-N 3.15Å; K463-F465 VanDerWaalsContact C-N 3.3Å; K463-S466 PolarHBondContact O-N 3.21Å
464L89.6Confident90.8Very high42 Ų4246.8 Ų46.822%0.2226%0.26CS..G310 helixtrans-66-37.3173.8-64.2-178.9000110.7T391 A430 D461 V462 S466 A470T391-L464 HydrophobicContact CG2-CD2 4.48Å; A430-L464 HydrophobicContact CB-CD1 4.05Å; D461-L464 HydrophobicContact CB-CD1 4Å; D461-L464 HydrophobicContact CB-CG 4.35Å; D461-L464 WeakPolarHBondContact O-CB 3.35Å; D461-L464 PolarHBondContact O-N 2.61Å; V462-L464 PolarHBondContact O-N 2.69Å; L464-S466 VanDerWaalsContact C-N 3.29Å; L464-S466 PolarHBondContact O-N 2.83Å; L464-A470 WeakPolarHBondContact O-CB 3.42Å
465F92.6Very high90.8Very high0 Ų044.6 Ų44.60%025%0.251CS..G310 helixtrans-86.12.8-178.5-50.1-55000113.7A430 I431 T434 L455 D461 V462 K463 A470 L471 L474A430-F465 HydrophobicContact CB-CZ 4.13Å; I431-F465 HydrophobicContact CG1-CE1 3.71Å; I431-F465 HydrophobicContact CG1-CZ 4.27Å; T434-F465 HydrophobicContact CG2-CE2 4.23Å; T434-F465 WeakPolarHBondContact OG1-CE2 3.47Å; L455-F465 HydrophobicContact CD1-CB 3.91Å; L455-F465 HydrophobicContact CD1-CD2 3.98Å; L455-F465 HydrophobicContact CD1-CG 4.15Å; D461-F465 HydrophobicContact CB-CE2 4.29Å; D461-F465 WeakPolarHBondContact O-CD2 3.26Å; V462-F465 CarbonylContact O-C 3.54Å; V462-F465 WeakPolarHBondContact O-CA 3.43Å; V462-F465 PolarHBondContact O-N 2.9Å; K463-F465 VanDerWaalsContact C-N 3.3Å; F465-A470 HydrophobicContact CD1-CB 4.48Å; F465-L471 HydrophobicContact CB-CD1 4.41Å; F465-L474 HydrophobicContact CB-CD2 4.37Å; F465-L474 HydrophobicContact CD1-CB 4.16Å; F465-L474 HydrophobicContact CD1-CD2 3.58Å; F465-L474 HydrophobicContact CD1-CG 4.44Å; F465-L474 HydrophobicContact CD2-CD2 4.05Å; F465-L474 HydrophobicContact CE1-CB 4.22Å; F465-L474 HydrophobicContact CE1-CD2 3.81Å; F465-L474 HydrophobicContact CE1-CG 4.43Å; F465-L474 HydrophobicContact CE2-CD2 4.26Å; F465-L474 HydrophobicContact CG-CD2 3.72Å; F465-L474 HydrophobicContact CZ-CD2 4.14Å
466S90.3Very high90.8Very high21 Ų2146.1 Ų46.115%0.14726%0.257CS..G310 helixtrans-77.8-6.8167.9-56.40000112.5V462 K463 L464 P501V462-S466 PolarHBondContact O-N 2.6Å; V462-S466 VanDerWaalsContact O-N 3.08Å; V462-S466 PolarHBondContact O-OG 3.16Å; K463-S466 PolarHBondContact O-N 3.21Å; L464-S466 VanDerWaalsContact C-N 3.29Å; L464-S466 PolarHBondContact O-N 2.83Å; S466-P501 WeakPolarHBondContact CB-O 3.42Å; S466-P501 PolarHBondContact OG-O 3.41Å
467K90.9Very high91.1Very high73 Ų7340.9 Ų40.932%0.31723%0.231SC..SBendtrans-101142.5178.3-59.1-66.3-172175.30111.8E389 A470 L471E389-K467 HydrophobicContact CB-CB 4.1Å; E389-K467 HydrophobicContact CB-CG 4.18Å; E389-K467 HydrophobicContact CG-CB 4Å; E389-K467 HydrophobicContact CG-CG 4.49Å; E389-K467 WeakPolarHBondContact OE1-CB 3.42Å; K467-A470 PolarHBondContact O-N 2.85Å; K467-L471 WeakPolarHBondContact O-CB 3.36Å; K467-L471 PolarHBondContact O-N 2.88Å
468P92.4Very high91.6Very high33 Ų3335.3 Ų35.321%0.21421%0.205CC..Hα-helixtrans-59.4-47.8-171.2-26.134.8000115.9L471 T472 I510 I551P468-L471 PolarHBondContact O-N 3.35Å; P468-T472 VanDerWaalsContact O-CB 3.25Å; P468-T472 WeakPolarHBondContact O-CB 3.49Å; P468-T472 PolarHBondContact O-N 2.88Å; P468-T472 PolarHBondContact O-OG1 3.37Å; P468-I510 HydrophobicContact CB-CD1 4.33Å; P468-I510 HydrophobicContact CG-CD1 3.95Å; P468-I551 HydrophobicContact CB-CD1 3.97Å; P468-I551 HydrophobicContact CB-CG2 4.46Å
469L91.4Very high92.1Very high22 Ų2231.6 Ų31.612%0.11517%0.167CC..Hα-helixtrans-68.7-40.7-177.1-53.3163.3000110.6I27 L388 E389 T472 L473I27-L469 HydrophobicContact CD1-CD1 4.19Å; L388-L469 HydrophobicContact CD2-CD1 4.17Å; E389-L469 VanDerWaalsContact CD-CB 3.46Å; E389-L469 HydrophobicContact CG-CD1 4.18Å; E389-L469 VanDerWaalsContact OE1-CA 3.3Å; E389-L469 WeakPolarHBondContact OE1-CA 3.26Å; E389-L469 WeakPolarHBondContact OE1-CB 3.28Å; E389-L469 PolarHBondContact OE1-N 3.37Å; L469-T472 PolarHBondContact O-N 3.33Å; L469-L473 VanDerWaalsContact O-CB 3.3Å; L469-L473 WeakPolarHBondContact O-CB 3.34Å; L469-L473 PolarHBondContact O-N 3.44Å
470A93.3Very high92.2Very high2 Ų230.9 Ų30.92%0.01716%0.161CC..Hα-helixtrans-62.7-46.1175.900000112.3E389 L464 F465 K467 L473 L474E389-A470 PolarHBondContact OE1-N 3.46Å; E389-A470 VanDerWaalsContact OE2-CB 3.3Å; E389-A470 WeakPolarHBondContact OE2-CB 3.2Å; E389-A470 PolarHBondContact OE2-N 3.1Å; L464-A470 WeakPolarHBondContact O-CB 3.42Å; F465-A470 HydrophobicContact CD1-CB 4.48Å; K467-A470 PolarHBondContact O-N 2.85Å; A470-L473 PolarHBondContact O-N 2.86Å; A470-L474 WeakPolarHBondContact O-CB 3.33Å; A470-L474 PolarHBondContact O-N 3.28Å
471L95.4Very high92.4Very high0 Ų026.5 Ų26.50%013%0.133CC..Hα-helixtrans-66.1-41178-175.756.8000111.7F465 K467 P468 L474 C475 M498 A500 I510 V512F465-L471 HydrophobicContact CB-CD1 4.41Å; K467-L471 WeakPolarHBondContact O-CB 3.36Å; K467-L471 PolarHBondContact O-N 2.88Å; P468-L471 PolarHBondContact O-N 3.35Å; L471-L474 PolarHBondContact O-N 3.24Å; L471-C475 VanDerWaalsContact O-CB 3.25Å; L471-C475 WeakPolarHBondContact O-CB 3.24Å; L471-C475 PolarHBondContact O-N 3.39Å; L471-M498 HydrophobicContact CD1-CE 4.34Å; L471-M498 HydrophobicContact CD1-CG 3.98Å; L471-M498 HydrophobicContact CD1-SD 4.03Å; L471-A500 HydrophobicContact CD1-CB 4.05Å; L471-A500 HydrophobicContact CD2-CB 4.07Å; L471-I510 HydrophobicContact CD2-CB 4.33Å; L471-I510 HydrophobicContact CD2-CD1 4.35Å; L471-I510 HydrophobicContact CD2-CG1 4.06Å; L471-I510 HydrophobicContact CD2-CG2 3.52Å; L471-V512 HydrophobicContact CB-CG2 4.38Å; L471-V512 HydrophobicContact CD2-CB 4.47Å; L471-V512 HydrophobicContact CD2-CG2 3.64Å; L471-V512 HydrophobicContact CG-CG2 3.88Å
472T94.4Very high92.7Very high22 Ų2223.9 Ų23.914%0.13512%0.117CC..Hα-helixtrans-63.8-44.8177.8-60.40000111.1P468 L469 C475 K476P468-T472 VanDerWaalsContact O-CB 3.25Å; P468-T472 WeakPolarHBondContact O-CB 3.49Å; P468-T472 PolarHBondContact O-N 2.88Å; P468-T472 PolarHBondContact O-OG1 3.37Å; L469-T472 PolarHBondContact O-N 3.33Å; T472-C475 PolarHBondContact O-N 3.07Å; T472-K476 HydrophobicContact CG2-CD 4.31Å; T472-K476 WeakPolarHBondContact O-CG 3.46Å; T472-K476 PolarHBondContact O-N 2.98Å
473L93.6Very high92.8Very high26 Ų2624 Ų2414%0.13612%0.118CC..Hα-helixtrans-63.4-42176.1-175.162.8000111.8I431 L469 A470 Y477I431-L473 HydrophobicContact CD1-CB 4.42Å; I431-L473 HydrophobicContact CD1-CD2 3.64Å; I431-L473 HydrophobicContact CD1-CG 3.95Å; L469-L473 VanDerWaalsContact O-CB 3.3Å; L469-L473 WeakPolarHBondContact O-CB 3.34Å; L469-L473 PolarHBondContact O-N 3.44Å; A470-L473 PolarHBondContact O-N 2.86Å; L473-Y477 WeakPolarHBondContact O-CB 3.44Å; L473-Y477 PolarHBondContact O-N 3.27Å
474L95.6Very high92.8Very high0 Ų020 Ų200%010%0.102CC..Hα-helixtrans-60.7-46173.7173.962000111.4I431 T434 V435 L455 F465 A470 L471 Y477 L478 M498I431-L474 HydrophobicContact CB-CD1 4.48Å; I431-L474 HydrophobicContact CG1-CB 4.46Å; I431-L474 HydrophobicContact CG2-CD1 3.96Å; T434-L474 HydrophobicContact CG2-CD1 4.07Å; T434-L474 HydrophobicContact CG2-CD2 3.91Å; V435-L474 HydrophobicContact CG2-CD1 3.64Å; L455-L474 HydrophobicContact CD1-CD2 3.8Å; F465-L474 HydrophobicContact CB-CD2 4.37Å; F465-L474 HydrophobicContact CD1-CB 4.16Å; F465-L474 HydrophobicContact CD1-CD2 3.58Å; F465-L474 HydrophobicContact CD1-CG 4.44Å; F465-L474 HydrophobicContact CD2-CD2 4.05Å; F465-L474 HydrophobicContact CE1-CB 4.22Å; F465-L474 HydrophobicContact CE1-CD2 3.81Å; F465-L474 HydrophobicContact CE1-CG 4.43Å; F465-L474 HydrophobicContact CE2-CD2 4.26Å; F465-L474 HydrophobicContact CG-CD2 3.72Å; F465-L474 HydrophobicContact CZ-CD2 4.14Å; A470-L474 WeakPolarHBondContact O-CB 3.33Å; A470-L474 PolarHBondContact O-N 3.28Å; L471-L474 PolarHBondContact O-N 3.24Å; L474-Y477 PolarHBondContact O-N 3.43Å; L474-L478 VanDerWaalsContact O-CB 3.26Å; L474-L478 WeakPolarHBondContact O-CB 3.4Å; L474-L478 PolarHBondContact O-N 3.37Å; L474-M498 HydrophobicContact CD2-CE 3.41Å; L474-M498 VanDerWaalsContact CD2-CE 3.41Å; L474-M498 HydrophobicContact CD2-SD 4.21Å; L474-M498 HydrophobicContact CG-CE 3.78Å; L474-M498 HydrophobicContact CG-SD 4.07Å
475C95.1Very high92.8Very high0 Ų019.8 Ų19.80%010%0.104CC..Hα-helixtrans-60.4-47.3-180-168.50000111.2L471 T472 Y477 L478 L479 L496 M498 I514L471-C475 VanDerWaalsContact O-CB 3.25Å; L471-C475 WeakPolarHBondContact O-CB 3.24Å; L471-C475 PolarHBondContact O-N 3.39Å; T472-C475 PolarHBondContact O-N 3.07Å; C475-Y477 PolarHBondContact O-N 3.42Å; C475-L478 PolarHBondContact O-N 3.08Å; C475-L479 PolarHBondContact O-N 2.86Å; C475-L496 VanDerWaalsContact SG-CD2 3.58Å; C475-M498 HydrophobicContact CB-CB 4.07Å; C475-M498 HydrophobicContact CB-SD 3.93Å; C475-M498 VanDerWaalsContact SG-CB 3.53Å; C475-I514 HydrophobicContact CB-CD1 4.12Å; C475-I514 HydrophobicContact CB-CG2 4.5Å; C475-I514 WeakPolarHBondContact O-CD1 3.43Å; C475-I514 WeakPolarHBondContact SG-CD1 3.46Å; C475-I514 VanDerWaalsContact SG-CG1 3.57Å
476K93.1Very high92.7Very high34 Ų3421 Ų2115%0.14811%0.111CC..Hα-helixtrans-63.1-42.9177.8-70.3-176.9-179.4-169.30112.1H234 D235 T472 K480 I514H234-K476 PolarHBondContact O-NZ 3.02Å; D235-K476 HydrophobicContact CB-CD 4.05Å; D235-K476 PolarHBondContact O-NZ 3.17Å; T472-K476 HydrophobicContact CG2-CD 4.31Å; T472-K476 WeakPolarHBondContact O-CG 3.46Å; T472-K476 PolarHBondContact O-N 2.98Å; K476-K480 WeakPolarHBondContact O-CG 3.41Å; K476-K480 PolarHBondContact O-N 3.34Å; K476-K480 VanDerWaalsContact O-N 3.11Å; K476-I514 HydrophobicContact CB-CD1 4.4Å; K476-I514 HydrophobicContact CG-CD1 3.89Å; K476-I514 HydrophobicContact CG-CG2 4.26Å
477Y94.3Very high92.6Very high9 Ų931.6 Ų31.64%0.03515%0.148CC..Hα-helixtrans-60.6-52.3173.7-163142.6000110.1A301 I431 Q432 V435 L473 L474 C475 L479 K480 A481A301-Y477 HydrophobicContact CB-CE2 4.5Å; A301-Y477 WeakPolarHBondContact CB-OH 3.35Å; I431-Y477 HydrophobicContact CG2-CD1 3.49Å; I431-Y477 VanDerWaalsContact CG2-CD1 3.49Å; I431-Y477 HydrophobicContact CG2-CE1 4.11Å; I431-Y477 HydrophobicContact CG2-CG 4.06Å; Q432-Y477 PolarHBondContact NE2-OH 2.97Å; Q432-Y477 VanDerWaalsContact OE1-CZ 3.3Å; Q432-Y477 PolarHBondContact OE1-OH 2.91Å; V435-Y477 HydrophobicContact CB-CD2 4.35Å; V435-Y477 HydrophobicContact CB-CE2 4.49Å; V435-Y477 HydrophobicContact CG1-CD2 3.97Å; V435-Y477 HydrophobicContact CG1-CE2 4.06Å; V435-Y477 HydrophobicContact CG2-CD2 3.83Å; V435-Y477 HydrophobicContact CG2-CE2 4.38Å; V435-Y477 HydrophobicContact CG2-CG 3.98Å; L473-Y477 WeakPolarHBondContact O-CB 3.44Å; L473-Y477 PolarHBondContact O-N 3.27Å; L474-Y477 PolarHBondContact O-N 3.43Å; C475-Y477 PolarHBondContact O-N 3.42Å; Y477-L479 VanDerWaalsContact C-N 3.29Å; Y477-L479 PolarHBondContact O-N 2.93Å; Y477-K480 PolarHBondContact O-N 2.64Å; Y477-K480 VanDerWaalsContact O-N 3.17Å; Y477-A481 HydrophobicContact CD2-CB 4.23Å; Y477-A481 HydrophobicContact CE2-CB 4.4Å; Y477-A481 WeakPolarHBondContact O-CB 3.31Å; Y477-A481 PolarHBondContact O-N 3.35Å
478L95.1Very high92.6Very high0 Ų032 Ų320%015%0.154CC..Hα-helixtrans-56.3-43.7-177.4-174.761.6000111.7V435 C438 I439 I444 C453 L474 C475 A481 F482 L496 M498V435-L478 HydrophobicContact CB-CD1 4.39Å; V435-L478 HydrophobicContact CG1-CD1 4.07Å; V435-L478 HydrophobicContact CG2-CB 4.28Å; V435-L478 HydrophobicContact CG2-CD1 4.32Å; C438-L478 HydrophobicContact CB-CD1 3.69Å; C438-L478 HydrophobicContact CB-CD2 4.35Å; I439-L478 HydrophobicContact CG1-CD1 4.16Å; I444-L478 HydrophobicContact CD1-CD1 3.81Å; I444-L478 HydrophobicContact CD1-CD2 4.36Å; I444-L478 HydrophobicContact CD1-CG 4.02Å; I444-L478 HydrophobicContact CG1-CD2 4.39Å; C453-L478 HydrophobicContact CB-CD2 4.12Å; L474-L478 VanDerWaalsContact O-CB 3.26Å; L474-L478 WeakPolarHBondContact O-CB 3.4Å; L474-L478 PolarHBondContact O-N 3.37Å; C475-L478 PolarHBondContact O-N 3.08Å; L478-A481 PolarHBondContact O-N 3.46Å; L478-F482 VanDerWaalsContact O-CB 3.23Å; L478-F482 WeakPolarHBondContact O-CB 2.86Å; L478-F482 PolarHBondContact O-N 2.67Å; L478-L496 HydrophobicContact CB-CD2 4.33Å; L478-L496 HydrophobicContact CD2-CD2 4.29Å; L478-L496 HydrophobicContact CG-CD2 4.36Å; L478-M498 HydrophobicContact CD2-CE 4.14Å; L478-M498 HydrophobicContact CD2-SD 4.11Å
479L94.5Very high92.4Very high0 Ų039 Ų390%018%0.181CC..Hα-helixtrans-61.9-50.6176.6-179.757000111.7L451 C475 Y477 A481 F482 V483 L496 I514 P515 E517L451-L479 HydrophobicContact CD1-CD1 3.97Å; C475-L479 PolarHBondContact O-N 2.86Å; Y477-L479 VanDerWaalsContact C-N 3.29Å; Y477-L479 PolarHBondContact O-N 2.93Å; L479-A481 VanDerWaalsContact C-N 3.3Å; L479-A481 PolarHBondContact O-N 3.17Å; L479-F482 PolarHBondContact O-N 3.04Å; L479-F482 VanDerWaalsContact O-N 3.16Å; L479-V483 HydrophobicContact CD1-CG2 3.9Å; L479-V483 HydrophobicContact CG-CG2 4.36Å; L479-V483 VanDerWaalsContact O-CG2 3.26Å; L479-V483 WeakPolarHBondContact O-CG2 2.87Å; L479-V483 PolarHBondContact O-N 3.05Å; L479-L496 HydrophobicContact CB-CB 4.34Å; L479-L496 HydrophobicContact CB-CD2 3.89Å; L479-L496 HydrophobicContact CD1-CB 4.12Å; L479-L496 HydrophobicContact CD2-CB 4.24Å; L479-L496 HydrophobicContact CG-CB 4.47Å; L479-I514 HydrophobicContact CB-CD1 3.91Å; L479-I514 HydrophobicContact CD2-CD1 3.66Å; L479-I514 HydrophobicContact CD2-CG1 4.05Å; L479-I514 HydrophobicContact CG-CD1 4.45Å; L479-P515 VanDerWaalsContact CD2-O 3.32Å; L479-P515 WeakPolarHBondContact CD2-O 3.21Å; L479-E517 HydrophobicContact CD2-CB 4.14Å; L479-E517 HydrophobicContact CG-CB 4.12Å
480K92Very high92.3Very high17 Ų1745 Ų457%0.07420%0.202CC..Hα-helixtrans-55.6-45.8176.3-78.2172.1171.2168.10111.7D235 Y298 K476 Y477 Q484 E517D235-K480 IonicContact OD1-NZ 3.4Å; D235-K480 IonicContact OD2-NZ 3.53Å; D235-K480 PolarHBondContact OD2-NZ 3.29Å; Y298-K480 HydrophobicContact CD2-CD 3.71Å; Y298-K480 HydrophobicContact CE2-CD 3.55Å; Y298-K480 VanDerWaalsContact CE2-NZ 3.29Å; Y298-K480 PolarHBondContact OH-NZ 3.44Å; K476-K480 WeakPolarHBondContact O-CG 3.41Å; K476-K480 PolarHBondContact O-N 3.34Å; K476-K480 VanDerWaalsContact O-N 3.11Å; Y477-K480 PolarHBondContact O-N 2.64Å; Y477-K480 VanDerWaalsContact O-N 3.17Å; K480-Q484 WeakPolarHBondContact O-CG 3.24Å; K480-Q484 PolarHBondContact O-N 3.2Å; K480-E517 WeakPolarHBondContact CE-OE1 3.44Å; K480-E517 VanDerWaalsContact CE-OE2 3.24Å; K480-E517 WeakPolarHBondContact CE-OE2 3.36Å; K480-E517 HydrophobicContact CG-CG 3.76Å; K480-E517 IonicContact NZ-OE1 2.84Å
481A93.1Very high92.1Very high0 Ų045.3 Ų45.30%020%0.204CC..Hα-helixtrans-66.3-38.1179.200000112.6W307 V435 I439 Y477 L478 L479 S485W307-A481 HydrophobicContact CE3-CB 4.43Å; W307-A481 HydrophobicContact CH2-CB 3.37Å; W307-A481 HydrophobicContact CZ2-CB 4.08Å; W307-A481 WeakPolarHBondContact CZ2-O 3.48Å; W307-A481 HydrophobicContact CZ3-CB 3.58Å; V435-A481 HydrophobicContact CG1-CB 3.7Å; I439-A481 HydrophobicContact CD1-CB 3.52Å; Y477-A481 HydrophobicContact CD2-CB 4.23Å; Y477-A481 HydrophobicContact CE2-CB 4.4Å; Y477-A481 WeakPolarHBondContact O-CB 3.31Å; Y477-A481 PolarHBondContact O-N 3.35Å; L478-A481 PolarHBondContact O-N 3.46Å; L479-A481 VanDerWaalsContact C-N 3.3Å; L479-A481 PolarHBondContact O-N 3.17Å; A481-S485 WeakPolarHBondContact O-CB 3.48Å; A481-S485 PolarHBondContact O-N 2.72Å; A481-S485 VanDerWaalsContact O-N 3.11Å; A481-S485 PolarHBondContact O-OG 3.24Å
482F93.6Very high91.8Very high24 Ų2449.1 Ų49.111%0.10522%0.22CC..Hα-helixtrans-68.7-46.5176.9179-101.1000112.3I444 L451 L478 L479 Q484 S485 T486 C491I444-F482 HydrophobicContact CB-CD2 4.19Å; I444-F482 HydrophobicContact CB-CE2 4.09Å; I444-F482 HydrophobicContact CD1-CB 3.97Å; I444-F482 HydrophobicContact CD1-CD2 3.46Å; I444-F482 VanDerWaalsContact CD1-CD2 3.46Å; I444-F482 HydrophobicContact CD1-CE2 4.2Å; I444-F482 HydrophobicContact CD1-CG 3.95Å; I444-F482 HydrophobicContact CG1-CD2 4.44Å; I444-F482 HydrophobicContact CG2-CD2 3.99Å; I444-F482 HydrophobicContact CG2-CE1 4.48Å; I444-F482 HydrophobicContact CG2-CE2 3.85Å; I444-F482 HydrophobicContact CG2-CG 4.34Å; I444-F482 HydrophobicContact CG2-CZ 4.11Å; L451-F482 HydrophobicContact CD1-CD1 3.53Å; L451-F482 HydrophobicContact CD1-CE1 3.43Å; L451-F482 VanDerWaalsContact CD1-CE1 3.43Å; L451-F482 HydrophobicContact CD1-CZ 4.42Å; L451-F482 HydrophobicContact CD2-CE1 3.79Å; L451-F482 HydrophobicContact CD2-CZ 4.12Å; L451-F482 HydrophobicContact CG-CE1 4.27Å; L478-F482 VanDerWaalsContact O-CB 3.23Å; L478-F482 WeakPolarHBondContact O-CB 2.86Å; L478-F482 PolarHBondContact O-N 2.67Å; L479-F482 PolarHBondContact O-N 3.04Å; L479-F482 VanDerWaalsContact O-N 3.16Å; F482-Q484 PolarHBondContact O-N 3.47Å; F482-S485 CarbonylContact O-C 3.54Å; F482-S485 PolarHBondContact O-N 3.31Å; F482-T486 HydrophobicContact CD1-CG2 4.4Å; F482-T486 HydrophobicContact CE1-CG2 4.15Å; F482-T486 WeakPolarHBondContact O-CB 3.26Å; F482-T486 WeakPolarHBondContact O-CG2 3.45Å; F482-T486 PolarHBondContact O-N 2.72Å; F482-C491 HydrophobicContact CE1-CB 4.02Å; F482-C491 HydrophobicContact CZ-CB 4.41Å
483V91.5Very high91.7Very high22 Ų2254.1 Ų54.113%0.13325%0.246CC..Hα-helixtrans-57.9-38.3179169.70000111.4L479 K492 E517L479-V483 HydrophobicContact CD1-CG2 3.9Å; L479-V483 HydrophobicContact CG-CG2 4.36Å; L479-V483 VanDerWaalsContact O-CG2 3.26Å; L479-V483 WeakPolarHBondContact O-CG2 2.87Å; L479-V483 PolarHBondContact O-N 3.05Å; V483-K492 HydrophobicContact CG1-CB 4.07Å; V483-K492 HydrophobicContact CG1-CD 4.29Å; V483-K492 HydrophobicContact CG1-CG 4.05Å; V483-K492 VanDerWaalsContact O-CE 3.25Å; V483-K492 WeakPolarHBondContact O-CE 3.26Å; V483-E517 HydrophobicContact CG2-CB 4.41Å
484Q88.1Confident91.6Very high74 Ų7453.7 Ų53.735%0.34624%0.244SC..Hα-helixtrans-75-30.8175.7-67.7-170.5-1.300112.9C302 K305 K480 F482C302-Q484 PolarHBondContact O-OE1 2.85Å; K305-Q484 WeakPolarHBondContact CE-O 3.37Å; K305-Q484 PolarHBondContact NZ-O 2.91Å; K480-Q484 WeakPolarHBondContact O-CG 3.24Å; K480-Q484 PolarHBondContact O-N 3.2Å; F482-Q484 PolarHBondContact O-N 3.47Å
485S88.6Confident91.6Very high37 Ų3754.1 Ų54.126%0.25925%0.246SC..Hα-helixtrans-77.9-38.8179.3-66.20000113.4W307 A481 F482W307-S485 WeakPolarHBondContact CZ2-OG 3.32Å; W307-S485 PolarHBondContact NE1-OG 3.22Å; A481-S485 WeakPolarHBondContact O-CB 3.48Å; A481-S485 PolarHBondContact O-N 2.72Å; A481-S485 VanDerWaalsContact O-N 3.11Å; A481-S485 PolarHBondContact O-OG 3.24Å; F482-S485 CarbonylContact O-C 3.54Å; F482-S485 PolarHBondContact O-N 3.31Å
486T90Very high91.6Very high26 Ų2654.2 Ų54.216%0.1625%0.247CC..  trans-72.4141.4-172-168.90000112.3F482 N488 K492F482-T486 HydrophobicContact CD1-CG2 4.4Å; F482-T486 HydrophobicContact CE1-CG2 4.15Å; F482-T486 WeakPolarHBondContact O-CB 3.26Å; F482-T486 WeakPolarHBondContact O-CG2 3.45Å; F482-T486 PolarHBondContact O-N 2.72Å; T486-N488 PolarHBondContact OG1-N 3.47Å; T486-K492 HydrophobicContact CG2-CG 3.65Å; T486-K492 VanDerWaalsContact O-CE 3.29Å; T486-K492 WeakPolarHBondContact O-CE 3.23Å
487R88.4Confident91.8Very high242 Ų24252.6 Ų52.691%0.91324%0.24SC*.  trans-89.5-17.8172.4-64-176.8-179.4-177.50.3112.2K489R487-K489 PolarHBondContact O-N 3.06Å
488N90.8Very high91.9Very high82 Ų8252.1 Ų52.144%0.43924%0.238SC..  trans-78116.6-176.6-172.5-18.4000110T486 R490 C491 K492T486-N488 PolarHBondContact OG1-N 3.47Å; N488-R490 VanDerWaalsContact C-N 3.32Å; N488-R490 PolarHBondContact O-N 2.74Å; N488-R490 PolarHBondContact OD1-N 3.21Å; N488-C491 HydrophobicContact CB-CB 4.12Å; N488-C491 PolarHBondContact ND2-SG 3.42Å; N488-C491 VanDerWaalsContact ND2-SG 3.37Å; N488-C491 PolarHBondContact O-N 3.27Å; N488-K492 PolarHBondContact O-N 3.29Å
489K88.5Confident91.9Very high179 Ų17952.1 Ų52.178%0.77824%0.238SC*.THydrogen-bonded Turntrans-62.2-36.8-179.6-66.3-174.1179.8-177.30112.6R487 K492R487-K489 PolarHBondContact O-N 3.06Å; K489-K492 PolarHBondContact O-N 3Å
490R89.6Confident92Very high148 Ų14852.1 Ų52.156%0.55824%0.238SC*.G310 helixtrans-64-49.3178.4177.3179.4163.9157.7-0.6110.9G448 N488 K492 L493 L494G448-R490 PolarHBondContact O-NH2 2.74Å; N488-R490 VanDerWaalsContact C-N 3.32Å; N488-R490 PolarHBondContact O-N 2.74Å; N488-R490 PolarHBondContact OD1-N 3.21Å; R490-K492 PolarHBondContact O-N 3.37Å; R490-L493 PolarHBondContact O-N 3.07Å; R490-L494 HydrophobicContact CG-CD2 4.49Å
491C89.3Confident92Very high9 Ų952.2 Ų52.26%0.06124%0.24CC..G310 helixtrans-63.2-15.4-178.3-60.40000114L451 F482 N488 L493L451-C491 HydrophobicContact CD2-CB 4.37Å; F482-C491 HydrophobicContact CE1-CB 4.02Å; F482-C491 HydrophobicContact CZ-CB 4.41Å; N488-C491 HydrophobicContact CB-CB 4.12Å; N488-C491 PolarHBondContact ND2-SG 3.42Å; N488-C491 VanDerWaalsContact ND2-SG 3.37Å; N488-C491 PolarHBondContact O-N 3.27Å; C491-L493 VanDerWaalsContact C-N 3.3Å
492K89.3Confident91.8Very high80 Ų8056.5 Ų56.535%0.34826%0.259SS..G310 helixtrans-72.8-25174.5-67.5-169.9177.3-161.20113.4V483 T486 N488 K489 R490V483-K492 HydrophobicContact CG1-CB 4.07Å; V483-K492 HydrophobicContact CG1-CD 4.29Å; V483-K492 HydrophobicContact CG1-CG 4.05Å; V483-K492 VanDerWaalsContact O-CE 3.25Å; V483-K492 WeakPolarHBondContact O-CE 3.26Å; T486-K492 HydrophobicContact CG2-CG 3.65Å; T486-K492 VanDerWaalsContact O-CE 3.29Å; T486-K492 WeakPolarHBondContact O-CE 3.23Å; N488-K492 PolarHBondContact O-N 3.29Å; K489-K492 PolarHBondContact O-N 3Å; R490-K492 PolarHBondContact O-N 3.37Å
493L90.8Very high91.5Very high128 Ų12857.7 Ų57.767%0.6727%0.266SS*.SBendtrans-100.92.3-176.5-57.6176.1000112R490 C491 P516R490-L493 PolarHBondContact O-N 3.07Å; C491-L493 VanDerWaalsContact C-N 3.3Å; L493-P516 WeakPolarHBondContact O-CB 3.05Å; L493-P516 VanDerWaalsContact O-CG 3.28Å; L493-P516 WeakPolarHBondContact O-CG 3.32Å
494L93.2Very high91Very high17 Ų1762.6 Ų62.69%0.08929%0.289CS..  trans-86.9142.9-178.6-63-176000110.4P449 L451 R490P449-L494 WeakPolarHBondContact O-CD2 3.31Å; L451-L494 HydrophobicContact CD1-CB 4.43Å; L451-L494 HydrophobicContact CD2-CB 4.5Å; L451-L494 HydrophobicContact CD2-CD1 4.19Å; L451-L494 HydrophobicContact CG-CB 3.95Å; L451-L494 HydrophobicContact CG-CD1 4.47Å; R490-L494 HydrophobicContact CG-CD2 4.49Å
495P95Very high90.8Very high8 Ų868 Ų685%0.05232%0.315CS..  trans-69.8168.5169.521-19.5000111.3P449 F450 L451 I514 P516 F526 F527P449-P495 WeakPolarHBondContact O-CD 3.23Å; F450-P495 HydrophobicContact CB-CG 4.01Å; L451-P495 WeakPolarHBondContact CB-O 3.48Å; L451-P495 PolarHBondContact N-O 2.88Å; P495-I514 WeakPolarHBondContact CB-O 3.38Å; P495-P516 HydrophobicContact CB-CG 4.17Å; P495-P516 HydrophobicContact CG-CG 4.36Å; P495-F526 HydrophobicContact CB-CZ 4.47Å; P495-F526 HydrophobicContact CG-CE1 4.36Å; P495-F526 HydrophobicContact CG-CZ 3.84Å; P495-F527 HydrophobicContact CB-CE2 3.54Å; P495-F527 HydrophobicContact CB-CZ 3.68Å; P495-F527 HydrophobicContact CG-CE2 4.16Å; P495-F527 HydrophobicContact CG-CZ 3.86Å
496L95.9Very high90.7Very high2 Ų272.8 Ų72.81%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-122.3132.5177.7177.765.6000111L451 C453 C475 L478 L479 I514L451-L496 HydrophobicContact CB-CB 4.41Å; L451-L496 HydrophobicContact CB-CD1 3.63Å; L451-L496 WeakPolarHBondContact O-CA 3.39Å; C453-L496 HydrophobicContact CB-CD1 4.34Å; C475-L496 VanDerWaalsContact SG-CD2 3.58Å; L478-L496 HydrophobicContact CB-CD2 4.33Å; L478-L496 HydrophobicContact CD2-CD2 4.29Å; L478-L496 HydrophobicContact CG-CD2 4.36Å; L479-L496 HydrophobicContact CB-CB 4.34Å; L479-L496 HydrophobicContact CB-CD2 3.89Å; L479-L496 HydrophobicContact CD1-CB 4.12Å; L479-L496 HydrophobicContact CD2-CB 4.24Å; L479-L496 HydrophobicContact CG-CB 4.47Å; L496-I514 HydrophobicContact CB-CD1 4.28Å; L496-I514 HydrophobicContact CB-CG1 3.95Å; L496-I514 HydrophobicContact CD2-CD1 4.49Å; L496-I514 PolarHBondContact N-O 3.18Å; L496-I514 WeakPolarHBondContact O-CG1 3.29Å; L496-I514 PolarHBondContact O-N 3.38Å
497I97.1Very high90.7Very high0 Ų072.9 Ų72.90%034%0.336CS..EExtended strand (participates in β ladder)trans-107.8127.6166.3-56.6176000107.8F450 L451 Y452 C453 V511 V512 F527 F531 L566F450-I497 HydrophobicContact CD1-CD1 4.13Å; F450-I497 HydrophobicContact CD2-CB 4.46Å; F450-I497 HydrophobicContact CD2-CD1 3.54Å; F450-I497 HydrophobicContact CD2-CG1 4.01Å; F450-I497 HydrophobicContact CE1-CD1 4.16Å; F450-I497 HydrophobicContact CE2-CD1 3.56Å; F450-I497 HydrophobicContact CE2-CG1 4.42Å; F450-I497 HydrophobicContact CG-CD1 3.84Å; F450-I497 HydrophobicContact CG-CG1 4.34Å; F450-I497 HydrophobicContact CZ-CD1 3.88Å; L451-I497 PolarHBondContact O-N 3.19Å; Y452-I497 WeakPolarHBondContact CA-O 3.3Å; Y452-I497 HydrophobicContact CD2-CB 4.12Å; Y452-I497 HydrophobicContact CD2-CG2 4.09Å; Y452-I497 HydrophobicContact CE2-CG2 4.22Å; C453-I497 PolarHBondContact N-O 2.94Å; I497-V511 HydrophobicContact CG2-CG1 3.55Å; I497-V512 WeakPolarHBondContact CA-O 3.45Å; I497-F527 HydrophobicContact CD1-CD1 4.33Å; I497-F527 HydrophobicContact CD1-CE1 3.6Å; I497-F527 HydrophobicContact CD1-CZ 4.1Å; I497-F527 HydrophobicContact CG1-CD1 4.37Å; I497-F527 HydrophobicContact CG1-CE1 3.66Å; I497-F527 HydrophobicContact CG1-CE2 4.45Å; I497-F527 HydrophobicContact CG1-CZ 3.7Å; I497-F531 HydrophobicContact CD1-CE1 4.03Å; I497-F531 HydrophobicContact CD1-CZ 4.41Å; I497-F531 HydrophobicContact CG1-CZ 4.45Å; I497-F531 HydrophobicContact CG2-CZ 4.37Å; I497-L566 HydrophobicContact CD1-CD2 3.29Å
498M96Very high91Very high0 Ų062 Ų620%030%0.297CS..EExtended strand (participates in β ladder)trans-121.4137176.8-166.3165.2-173.600110.1C453 L455 L471 L474 C475 L478 V511 V512C453-M498 HydrophobicContact CB-CG 4.38Å; C453-M498 WeakPolarHBondContact O-CA 3.38Å; L455-M498 HydrophobicContact CD1-CE 3.74Å; L455-M498 HydrophobicContact CD2-CE 3.58Å; L455-M498 HydrophobicContact CG-CE 3.55Å; L471-M498 HydrophobicContact CD1-CE 4.34Å; L471-M498 HydrophobicContact CD1-CG 3.98Å; L471-M498 HydrophobicContact CD1-SD 4.03Å; L474-M498 HydrophobicContact CD2-CE 3.41Å; L474-M498 VanDerWaalsContact CD2-CE 3.41Å; L474-M498 HydrophobicContact CD2-SD 4.21Å; L474-M498 HydrophobicContact CG-CE 3.78Å; L474-M498 HydrophobicContact CG-SD 4.07Å; C475-M498 HydrophobicContact CB-CB 4.07Å; C475-M498 HydrophobicContact CB-SD 3.93Å; C475-M498 VanDerWaalsContact SG-CB 3.53Å; L478-M498 HydrophobicContact CD2-CE 4.14Å; L478-M498 HydrophobicContact CD2-SD 4.11Å; M498-V511 WeakPolarHBondContact O-CA 3.49Å; M498-V512 PolarHBondContact N-O 2.83Å; M498-V512 PolarHBondContact O-N 3Å
499A95.4Very high91.2Very high0 Ų058.2 Ų58.20%028%0.277CS..EExtended strand (participates in β ladder)trans-128141.217800000111.2Y452 C453 Y454 L455 I510 V511Y452-A499 HydrophobicContact CE2-CB 4.42Å; C453-A499 PolarHBondContact O-N 2.93Å; Y454-A499 WeakPolarHBondContact CA-O 3.41Å; Y454-A499 HydrophobicContact CD2-CB 3.72Å; Y454-A499 WeakPolarHBondContact CD2-O 3.32Å; Y454-A499 HydrophobicContact CE2-CB 4.34Å; L455-A499 PolarHBondContact N-O 3.4Å; A499-I510 CarbonylContact C-O 3.54Å; A499-I510 VanDerWaalsContact CA-O 3.22Å; A499-I510 WeakPolarHBondContact CA-O 3.49Å; A499-V511 HydrophobicContact CB-CG2 4.04Å
500A95Very high91.5Very high0 Ų049.9 Ų49.90%024%0.24CC..EExtended strand (participates in β ladder)trans-138.7152.7178.600000110.9L455 L471 K502 V509 I510L455-A500 HydrophobicContact CB-CB 4.26Å; L455-A500 HydrophobicContact CD1-CB 4.2Å; L471-A500 HydrophobicContact CD1-CB 4.05Å; L471-A500 HydrophobicContact CD2-CB 4.07Å; A500-K502 PolarHBondContact O-N 2.98Å; A500-V509 CarbonylContact O-C 3.59Å; A500-V509 VanDerWaalsContact O-CA 3.27Å; A500-V509 WeakPolarHBondContact O-CA 3.11Å; A500-V509 WeakPolarHBondContact O-CB 3.46Å; A500-I510 HydrophobicContact CB-CG2 4.05Å; A500-I510 PolarHBondContact N-O 2.98Å; A500-I510 WeakPolarHBondContact O-CG2 3.19Å; A500-I510 PolarHBondContact O-N 3.13Å
501P93.5Very high91.8Very high18 Ų1843 Ų4312%0.11722%0.215CC..EExtended strand (participates in β ladder)trans-63130.8173.8-19.832.9000110.8L455 V462 S466L455-P501 WeakPolarHBondContact O-CD 3.48Å; V462-P501 HydrophobicContact CG2-CG 4.27Å; S466-P501 WeakPolarHBondContact CB-O 3.42Å; S466-P501 PolarHBondContact OG-O 3.41Å
502K89Confident92.2Very high90 Ų9042.6 Ų42.639%0.39121%0.212SC..EExtended strand (participates in β ladder)trans-100.9-61.5174.7-172.9-178.1178.7-169.70110.8A500 T508 I510 E553A500-K502 PolarHBondContact O-N 2.98Å; K502-T508 PolarHBondContact N-O 3.32Å; K502-I510 HydrophobicContact CB-CB 4.3Å; K502-I510 HydrophobicContact CB-CG2 4.39Å; K502-E553 HydrophobicContact CD-CG 3.86Å; K502-E553 WeakPolarHBondContact CD-OE2 3.38Å; K502-E553 IonicContact NZ-OE1 3.12Å; K502-E553 PolarHBondContact NZ-OE1 3.36Å; K502-E553 IonicContact NZ-OE2 2.74Å; K502-E553 PolarHBondContact NZ-OE2 3.21Å
503D85.8Confident92.5Very high49 Ų4938.8 Ų38.826%0.26220%0.196SC..EExtended strand (participates in β ladder)trans-130.5121.1-179.2-175.4-18.4000109.7E505 K506 G507 T508D503-E505 PolarHBondContact OD1-N 3.36Å; D503-K506 HydrophobicContact CB-CB 4.21Å; D503-K506 PolarHBondContact OD1-N 3.29Å; D503-K506 WeakPolarHBondContact OD2-CD 3.45Å; D503-K506 WeakPolarHBondContact OD2-CE 3.47Å; D503-K506 VanDerWaalsContact OD2-CG 3.32Å; D503-K506 WeakPolarHBondContact OD2-CG 3.36Å; D503-K506 IonicContact OD2-NZ 3.21Å; D503-G507 WeakPolarHBondContact O-CA 3.38Å; D503-G507 PolarHBondContact O-N 3.37Å; D503-T508 WeakPolarHBondContact CB-OG1 3.47Å; D503-T508 PolarHBondContact N-O 3.28Å; D503-T508 PolarHBondContact N-OG1 3.43Å; D503-T508 PolarHBondContact O-N 3.35Å
504M81.3Confident92.7Very high125 Ų12533 Ų3362%0.61617%0.165SC*.THydrogen-bonded Turntrans-73.4-39.5-178.5-67.2178.962.100112.5E457 K506 G507E457-M504 HydrophobicContact CG-CE 4.32Å; E457-M504 HydrophobicContact CG-SD 4.21Å; E457-M504 WeakPolarHBondContact OE1-CE 3.37Å; E457-M504 WeakPolarHBondContact OE2-CE 3.43Å; M504-K506 VanDerWaalsContact C-N 3.31Å; M504-K506 PolarHBondContact O-N 3.02Å; M504-G507 PolarHBondContact O-N 2.97Å
505E84.6Confident92.7Very high189 Ų18933.3 Ų33.388%0.88317%0.168SC*.THydrogen-bonded Turntrans-68.4-38.4-177.1-63.3-170.3167.100110.4D503D503-E505 PolarHBondContact OD1-N 3.36Å
506K86.3Confident92.5Very high137 Ų13734.8 Ų34.860%0.59618%0.178SC*.THydrogen-bonded Turntrans-83.7-12176.2-62.8-178.8-168.9169.20112.8D503 M504 T508 K555D503-K506 HydrophobicContact CB-CB 4.21Å; D503-K506 PolarHBondContact OD1-N 3.29Å; D503-K506 WeakPolarHBondContact OD2-CD 3.45Å; D503-K506 WeakPolarHBondContact OD2-CE 3.47Å; D503-K506 VanDerWaalsContact OD2-CG 3.32Å; D503-K506 WeakPolarHBondContact OD2-CG 3.36Å; D503-K506 IonicContact OD2-NZ 3.21Å; M504-K506 VanDerWaalsContact C-N 3.31Å; M504-K506 PolarHBondContact O-N 3.02Å; K506-T508 VanDerWaalsContact C-N 3.35Å; K506-T508 HydrophobicContact CB-CG2 4Å; K506-T508 PolarHBondContact O-N 3.3Å; K506-K555 PolarHBondContact O-NZ 3.35Å
507G90.6Very high92Very high27 Ų2737.1 Ų37.128%0.27819%0.189SC..THydrogen-bonded Turntrans58.943.8-175.200000112.8D503 M504 S556D503-G507 WeakPolarHBondContact O-CA 3.38Å; D503-G507 PolarHBondContact O-N 3.37Å; M504-G507 PolarHBondContact O-N 2.97Å; G507-S556 PolarHBondContact O-N 3.26Å; G507-S556 PolarHBondContact O-OG 3.23Å; G507-S556 VanDerWaalsContact O-OG 3.13Å
508T93.4Very high91.1Very high15 Ų1539.6 Ų39.69%0.09221%0.206CC..EExtended strand (participates in β ladder)trans-106.3143.6178.958.10000111.6K502 D503 K506 L554 K555K502-T508 PolarHBondContact N-O 3.32Å; D503-T508 WeakPolarHBondContact CB-OG1 3.47Å; D503-T508 PolarHBondContact N-O 3.28Å; D503-T508 PolarHBondContact N-OG1 3.43Å; D503-T508 PolarHBondContact O-N 3.35Å; K506-T508 VanDerWaalsContact C-N 3.35Å; K506-T508 HydrophobicContact CB-CG2 4Å; K506-T508 PolarHBondContact O-N 3.3Å; T508-L554 WeakPolarHBondContact CA-O 3.47Å; T508-K555 HydrophobicContact CG2-CD 3.99Å
509V94.9Very high89.6Confident1 Ų148.3 Ų48.31%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-116.3141.2173.1-63.20000109.1Y454 A500 V511 E553 L554 S556Y454-V509 HydrophobicContact CE2-CG1 4.01Å; A500-V509 CarbonylContact O-C 3.59Å; A500-V509 VanDerWaalsContact O-CA 3.27Å; A500-V509 WeakPolarHBondContact O-CA 3.11Å; A500-V509 WeakPolarHBondContact O-CB 3.46Å; V509-V511 HydrophobicContact CG2-CG2 4.12Å; V509-E553 WeakPolarHBondContact O-CA 3.47Å; V509-L554 HydrophobicContact CG2-CB 4.01Å; V509-L554 HydrophobicContact CG2-CG 4.48Å; V509-L554 WeakPolarHBondContact CG2-O 3.29Å; V509-L554 PolarHBondContact N-O 3.19Å; V509-L554 PolarHBondContact O-N 3.39Å; V509-S556 WeakPolarHBondContact CG1-OG 2.79Å
510I95.4Very high88.3Confident4 Ų454.5 Ų54.52%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-86.1136166.7-177.2168.3000108.2P468 L471 A499 A500 K502 I551P468-I510 HydrophobicContact CB-CD1 4.33Å; P468-I510 HydrophobicContact CG-CD1 3.95Å; L471-I510 HydrophobicContact CD2-CB 4.33Å; L471-I510 HydrophobicContact CD2-CD1 4.35Å; L471-I510 HydrophobicContact CD2-CG1 4.06Å; L471-I510 HydrophobicContact CD2-CG2 3.52Å; A499-I510 CarbonylContact C-O 3.54Å; A499-I510 VanDerWaalsContact CA-O 3.22Å; A499-I510 WeakPolarHBondContact CA-O 3.49Å; A500-I510 HydrophobicContact CB-CG2 4.05Å; A500-I510 PolarHBondContact N-O 2.98Å; A500-I510 WeakPolarHBondContact O-CG2 3.19Å; A500-I510 PolarHBondContact O-N 3.13Å; K502-I510 HydrophobicContact CB-CB 4.3Å; K502-I510 HydrophobicContact CB-CG2 4.39Å; I510-I551 HydrophobicContact CD1-CG2 3.93Å; I510-I551 HydrophobicContact CG1-CG2 4.04Å
511V96.8Very high87.4Confident4 Ų455.3 Ų55.32%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-125.4129.3179.7-174.20000108.4I497 M498 A499 V509 F531 I551 I552 L554I497-V511 HydrophobicContact CG2-CG1 3.55Å; M498-V511 WeakPolarHBondContact O-CA 3.49Å; A499-V511 HydrophobicContact CB-CG2 4.04Å; V509-V511 HydrophobicContact CG2-CG2 4.12Å; V511-F531 HydrophobicContact CG1-CZ 4.2Å; V511-I551 WeakPolarHBondContact O-CA 3.5Å; V511-I552 HydrophobicContact CB-CD1 4.37Å; V511-I552 HydrophobicContact CB-CG1 3.77Å; V511-I552 HydrophobicContact CG2-CG1 4.38Å; V511-I552 PolarHBondContact N-O 3.07Å; V511-I552 PolarHBondContact O-N 3.08Å; V511-L554 HydrophobicContact CG2-CB 4.11Å; V511-L554 HydrophobicContact CG2-CD2 4.26Å
512V96.9Very high86.8Confident1 Ų159 Ų591%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-122.8127.1178.8177.60000108.7L471 I497 M498 I514 I551L471-V512 HydrophobicContact CB-CG2 4.38Å; L471-V512 HydrophobicContact CD2-CB 4.47Å; L471-V512 HydrophobicContact CD2-CG2 3.64Å; L471-V512 HydrophobicContact CG-CG2 3.88Å; I497-V512 WeakPolarHBondContact CA-O 3.45Å; M498-V512 PolarHBondContact N-O 2.83Å; M498-V512 PolarHBondContact O-N 3Å; V512-I514 HydrophobicContact CG1-CG2 4.03Å; V512-I551 HydrophobicContact CG1-CG1 4.37Å; V512-I551 HydrophobicContact CG2-CD1 4.36Å; V512-I551 HydrophobicContact CG2-CG1 4.11Å; V512-I551 HydrophobicContact CG2-CG2 4.09Å
513G96.2Very high86.6Confident0 Ų056.3 Ų56.30%030%0.298CS..EExtended strand (participates in β ladder)trans-105126.3171.600000111.2N525 F527 S550G513-N525 PolarHBondContact O-ND2 2.97Å; G513-F527 VanDerWaalsContact C-CD2 3.41Å; G513-F527 VanDerWaalsContact CA-CD2 3.48Å; G513-S550 PolarHBondContact N-O 3.35Å
514I94.8Very high86.8Confident6 Ų657.7 Ų57.73%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-120.1144.8175.364170000111.6C475 K476 L479 P495 L496 V512 F527C475-I514 HydrophobicContact CB-CD1 4.12Å; C475-I514 HydrophobicContact CB-CG2 4.5Å; C475-I514 WeakPolarHBondContact O-CD1 3.43Å; C475-I514 WeakPolarHBondContact SG-CD1 3.46Å; C475-I514 VanDerWaalsContact SG-CG1 3.57Å; K476-I514 HydrophobicContact CB-CD1 4.4Å; K476-I514 HydrophobicContact CG-CD1 3.89Å; K476-I514 HydrophobicContact CG-CG2 4.26Å; L479-I514 HydrophobicContact CB-CD1 3.91Å; L479-I514 HydrophobicContact CD2-CD1 3.66Å; L479-I514 HydrophobicContact CD2-CG1 4.05Å; L479-I514 HydrophobicContact CG-CD1 4.45Å; P495-I514 WeakPolarHBondContact CB-O 3.38Å; L496-I514 HydrophobicContact CB-CD1 4.28Å; L496-I514 HydrophobicContact CB-CG1 3.95Å; L496-I514 HydrophobicContact CD2-CD1 4.49Å; L496-I514 PolarHBondContact N-O 3.18Å; L496-I514 WeakPolarHBondContact O-CG1 3.29Å; L496-I514 PolarHBondContact O-N 3.38Å; V512-I514 HydrophobicContact CG1-CG2 4.03Å; I514-F527 WeakPolarHBondContact O-CE2 3.25Å
515P93.3Very high87.4Confident23 Ų2352.4 Ų52.415%0.14928%0.275CS..PPolyproline II helixtrans-66.7167179.729.2-35.9000112L479 K524L479-P515 VanDerWaalsContact CD2-O 3.32Å; L479-P515 WeakPolarHBondContact CD2-O 3.21Å; P515-K524 WeakPolarHBondContact CB-O 3.47Å
516P91.3Very high87.8Confident40 Ų4045.6 Ų45.626%0.2624%0.243SC..PPolyproline II helixtrans-58.4144.9174.7-20.632.2000112.5L493 P495 S518L493-P516 WeakPolarHBondContact O-CB 3.05Å; L493-P516 VanDerWaalsContact O-CG 3.28Å; L493-P516 WeakPolarHBondContact O-CG 3.32Å; P495-P516 HydrophobicContact CB-CG 4.17Å; P495-P516 HydrophobicContact CG-CG 4.36Å; P516-S518 PolarHBondContact O-N 3.08Å
517E85.1Confident88.2Confident50 Ų5039.1 Ų39.123%0.23422%0.215CC..PPolyproline II helixtrans-78.3118175.3-176.965-161.800110.5L479 K480 V483L479-E517 HydrophobicContact CD2-CB 4.14Å; L479-E517 HydrophobicContact CG-CB 4.12Å; K480-E517 WeakPolarHBondContact CE-OE1 3.44Å; K480-E517 VanDerWaalsContact CE-OE2 3.24Å; K480-E517 WeakPolarHBondContact CE-OE2 3.36Å; K480-E517 HydrophobicContact CG-CG 3.76Å; K480-E517 IonicContact NZ-OE1 2.84Å; V483-E517 HydrophobicContact CG2-CB 4.41Å
518S77.9Confident88.3Confident52 Ų5237.9 Ų37.936%0.36420%0.203SC..  trans-144.9145.5171-178.20000110.6P516 T520 S521P516-S518 PolarHBondContact O-N 3.08Å; S518-T520 PolarHBondContact O-N 2.86Å; S518-T520 PolarHBondContact OG-N 3.11Å; S518-T520 PolarHBondContact OG-OG1 2.8Å; S518-S521 WeakPolarHBondContact O-CB 3.11Å; S518-S521 PolarHBondContact O-N 3.23Å; S518-S521 VanDerWaalsContact O-N 3.11Å
519E63.8Low88.2Confident183 Ų18340.7 Ų40.786%0.85521%0.211SC*.THydrogen-bonded Turntrans-63.7-29.8174.4-71.1176.5-175.500112S521E519-S521 VanDerWaalsContact C-N 3.35Å
520T68.6Low88.1Confident130 Ų13041 Ų4180%0.79821%0.214SC*.THydrogen-bonded Turntrans-97.116.917665.40000112.5S518 D522S518-T520 PolarHBondContact O-N 2.86Å; S518-T520 PolarHBondContact OG-N 3.11Å; S518-T520 PolarHBondContact OG-OG1 2.8Å; T520-D522 PolarHBondContact O-N 2.98Å
521S75.9Confident88.1Confident17 Ų1740.8 Ų40.812%0.11921%0.213CC..  trans-63.2129179.8178.10000109.7S518 E519 K523S518-S521 WeakPolarHBondContact O-CB 3.11Å; S518-S521 PolarHBondContact O-N 3.23Å; S518-S521 VanDerWaalsContact O-N 3.11Å; E519-S521 VanDerWaalsContact C-N 3.35Å; S521-K523 PolarHBondContact O-N 3.19Å; S521-K523 PolarHBondContact OG-N 3.14Å
522D81.4Confident88Confident95 Ų9543.7 Ų43.751%0.50823%0.226SC..  trans-71.8-0.8168.558.1-7.3000112.7T520 K524T520-D522 PolarHBondContact O-N 2.98Å; D522-K524 HydrophobicContact CB-CG 4.25Å; D522-K524 PolarHBondContact O-N 2.71Å; D522-K524 VanDerWaalsContact O-N 3.15Å; D522-K524 PolarHBondContact OD1-N 2.85Å; D522-K524 WeakPolarHBondContact OD2-CD 3.37Å
523K85Confident87.7Confident34 Ų3447.5 Ų47.515%0.14824%0.243CC..  trans57.521.7-179.6-56.9-62.2-179.2-178.60113.9D235 P238 S521D235-K523 IonicContact OD1-NZ 2.97Å; P238-K523 HydrophobicContact CB-CG 4.41Å; S521-K523 PolarHBondContact O-N 3.19Å; S521-K523 PolarHBondContact OG-N 3.14Å
524K89.6Confident87.6Confident78 Ų7847.5 Ų47.534%0.33924%0.243SC..  trans-78138.8174.4-71.9-168.9-178-172.30111.4Y195 E196 Y197 P515 D522Y195-K524 HydrophobicContact CD1-CB 3.98Å; Y195-K524 HydrophobicContact CG-CB 4.2Å; Y195-K524 HydrophobicContact CG-CD 4.3Å; E196-K524 CarbonylContact O-C 3.55Å; E196-K524 WeakPolarHBondContact O-CA 3.43Å; Y197-K524 HydrophobicContact CD1-CG 4.47Å; P515-K524 WeakPolarHBondContact CB-O 3.47Å; D522-K524 HydrophobicContact CB-CG 4.25Å; D522-K524 PolarHBondContact O-N 2.71Å; D522-K524 VanDerWaalsContact O-N 3.15Å; D522-K524 PolarHBondContact OD1-N 2.85Å; D522-K524 WeakPolarHBondContact OD2-CD 3.37Å
525N93.1Very high87.6Confident14 Ų1447.6 Ų47.68%0.07525%0.245CC..BIsolated β-bridgetrans-123.2122.9-176.6-165.6-6.3000111.2Y195 E196 G513 F527 S550Y195-N525 CarbonylContact C-O 3.59Å; Y195-N525 WeakPolarHBondContact CA-O 3.36Å; E196-N525 HydrophobicContact CB-CB 4.36Å; E196-N525 PolarHBondContact N-O 3.47Å; E196-N525 PolarHBondContact O-N 3.22Å; G513-N525 PolarHBondContact O-ND2 2.97Å; N525-F527 WeakPolarHBondContact OD1-CB 3.47Å; N525-F527 VanDerWaalsContact OD1-CD2 3.26Å; N525-F527 WeakPolarHBondContact OD1-CD2 3.42Å; N525-F527 PolarHBondContact OD1-N 3.27Å; N525-F527 VanDerWaalsContact OD1-N 3.08Å; N525-S550 WeakPolarHBondContact ND2-CB 3.46Å; N525-S550 PolarHBondContact ND2-OG 2.84Å
526F93.6Very high87.6Confident47 Ų4753 Ų5321%0.20627%0.268CS..  trans-95.5-0.5-179.962.8-97.1000113.4Q194 Y195 P495 G528 A530 L570Q194-F526 WeakPolarHBondContact O-CA 3.4Å; Y195-F526 HydrophobicContact CD1-CB 3.87Å; Y195-F526 HydrophobicContact CE1-CB 3.81Å; Y195-F526 HydrophobicContact CE1-CD1 4.24Å; Y195-F526 HydrophobicContact CE1-CG 4.48Å; P495-F526 HydrophobicContact CB-CZ 4.47Å; P495-F526 HydrophobicContact CG-CE1 4.36Å; P495-F526 HydrophobicContact CG-CZ 3.84Å; F526-G528 PolarHBondContact O-N 3.05Å; F526-A530 HydrophobicContact CD2-CB 4.28Å; F526-A530 WeakPolarHBondContact O-CB 3.42Å; F526-A530 PolarHBondContact O-N 3.28Å; F526-L570 HydrophobicContact CD2-CD2 4.16Å; F526-L570 HydrophobicContact CE2-CD1 3.96Å; F526-L570 HydrophobicContact CE2-CD2 3.71Å
527F95.1Very high87.7Confident0 Ų055.1 Ų55.10%028%0.284CS..Hα-helixtrans-70.5-28.4-169.3-84.5-64.7000115P495 I497 G513 I514 N525 A530 F531 L570P495-F527 HydrophobicContact CB-CE2 3.54Å; P495-F527 HydrophobicContact CB-CZ 3.68Å; P495-F527 HydrophobicContact CG-CE2 4.16Å; P495-F527 HydrophobicContact CG-CZ 3.86Å; I497-F527 HydrophobicContact CD1-CD1 4.33Å; I497-F527 HydrophobicContact CD1-CE1 3.6Å; I497-F527 HydrophobicContact CD1-CZ 4.1Å; I497-F527 HydrophobicContact CG1-CD1 4.37Å; I497-F527 HydrophobicContact CG1-CE1 3.66Å; I497-F527 HydrophobicContact CG1-CE2 4.45Å; I497-F527 HydrophobicContact CG1-CZ 3.7Å; G513-F527 VanDerWaalsContact C-CD2 3.41Å; G513-F527 VanDerWaalsContact CA-CD2 3.48Å; I514-F527 WeakPolarHBondContact O-CE2 3.25Å; N525-F527 WeakPolarHBondContact OD1-CB 3.47Å; N525-F527 VanDerWaalsContact OD1-CD2 3.26Å; N525-F527 WeakPolarHBondContact OD1-CD2 3.42Å; N525-F527 PolarHBondContact OD1-N 3.27Å; N525-F527 VanDerWaalsContact OD1-N 3.08Å; F527-A530 PolarHBondContact O-N 3.11Å; F527-F531 HydrophobicContact CB-CD2 4.24Å; F527-F531 HydrophobicContact CB-CE1 4.39Å; F527-F531 HydrophobicContact CB-CE2 3.87Å; F527-F531 HydrophobicContact CB-CZ 3.94Å; F527-F531 HydrophobicContact CD1-CD1 4.24Å; F527-F531 AromaticContact CD1-CE1 3.56Å; F527-F531 HydrophobicContact CD1-CE1 3.56Å; F527-F531 HydrophobicContact CD1-CE2 4.46Å; F527-F531 AromaticContact CD1-CZ 3.7Å; F527-F531 HydrophobicContact CD1-CZ 3.7Å; F527-F531 HydrophobicContact CE1-CE1 4.26Å; F527-F531 HydrophobicContact CE1-CZ 4.49Å; F527-F531 HydrophobicContact CG-CE1 4.28Å; F527-F531 HydrophobicContact CG-CE2 4.4Å; F527-F531 AromaticContact CG-CZ 3.98Å; F527-F531 HydrophobicContact CG-CZ 3.98Å; F527-F531 VanDerWaalsContact O-CB 3.26Å; F527-F531 WeakPolarHBondContact O-CB 3.45Å; F527-F531 VanDerWaalsContact O-CD2 3.3Å; F527-F531 WeakPolarHBondContact O-CD2 3.11Å; F527-F531 WeakPolarHBondContact O-CG 3.37Å; F527-F531 PolarHBondContact O-N 3.5Å; F527-L570 HydrophobicContact CE1-CD1 4.04Å
528G91.8Very high88Confident2 Ų254.3 Ų54.32%0.02128%0.282CS..Hα-helixtrans-64.1-53.3-17900000112.5E196 F526 A530 F531 E532 T549E196-G528 WeakPolarHBondContact OE1-CA 3.46Å; E196-G528 PolarHBondContact OE1-N 3.25Å; F526-G528 PolarHBondContact O-N 3.05Å; G528-A530 VanDerWaalsContact C-N 3.29Å; G528-A530 PolarHBondContact O-N 3.37Å; G528-F531 PolarHBondContact O-N 3.25Å; G528-E532 PolarHBondContact O-N 3.12Å; G528-T549 VanDerWaalsContact CA-O 3.28Å; G528-T549 WeakPolarHBondContact CA-O 3.48Å
529R91.6Very high88.7Confident74 Ų7456.7 Ų56.728%0.27930%0.299SS..Hα-helixtrans-62.4-34.4174-70.3-56.1-170-167.9-6.2112.9E193 E532 K533E193-R529 WeakPolarHBondContact O-CG 3.13Å; E193-R529 IonicContact OE1-NH2 2.74Å; E193-R529 IonicContact OE2-CZ 2.66Å; E193-R529 VanDerWaalsContact OE2-CZ 3.24Å; E193-R529 IonicContact OE2-NE 3.49Å; E193-R529 PolarHBondContact OE2-NE 3Å; E193-R529 IonicContact OE2-NH2 3.89Å; E193-R529 PolarHBondContact OE2-NH2 3.41Å; R529-E532 WeakPolarHBondContact CD-OE2 3.32Å; R529-E532 IonicContact CZ-OE2 3.66Å; R529-E532 IonicContact NE-OE2 2.69Å; R529-E532 IonicContact NH1-OE1 3.44Å; R529-E532 PolarHBondContact NH1-OE1 2.88Å; R529-E532 IonicContact NH1-OE2 3.34Å; R529-E532 PolarHBondContact NH1-OE2 3.05Å; R529-K533 WeakPolarHBondContact O-CG 3.45Å; R529-K533 PolarHBondContact O-N 3.41Å; R529-K533 VanDerWaalsContact O-N 3.11Å
530A93.9Very high90.1Very high7 Ų748.5 Ų48.56%0.05826%0.262CS..Hα-helixtrans-66.3-39.7175.800000112.2F526 F527 G528 A534 L566 L569 L570F526-A530 HydrophobicContact CD2-CB 4.28Å; F526-A530 WeakPolarHBondContact O-CB 3.42Å; F526-A530 PolarHBondContact O-N 3.28Å; F527-A530 PolarHBondContact O-N 3.11Å; G528-A530 VanDerWaalsContact C-N 3.29Å; G528-A530 PolarHBondContact O-N 3.37Å; A530-A534 VanDerWaalsContact O-CB 3.31Å; A530-A534 WeakPolarHBondContact O-CB 3.46Å; A530-A534 PolarHBondContact O-N 3.3Å; A530-L566 HydrophobicContact CB-CD1 3.93Å; A530-L569 HydrophobicContact CB-CD2 4.26Å; A530-L569 WeakPolarHBondContact O-CD2 3.46Å; A530-L570 HydrophobicContact CB-CD2 4.25Å
531F95.5Very high91.3Very high0 Ų048 Ų480%025%0.245CC..Hα-helixtrans-67.8-41.8176.3-71-19.8000112.2I497 V511 F527 G528 A534 A535 S550 I552 F562 L566I497-F531 HydrophobicContact CD1-CE1 4.03Å; I497-F531 HydrophobicContact CD1-CZ 4.41Å; I497-F531 HydrophobicContact CG1-CZ 4.45Å; I497-F531 HydrophobicContact CG2-CZ 4.37Å; V511-F531 HydrophobicContact CG1-CZ 4.2Å; F527-F531 HydrophobicContact CB-CD2 4.24Å; F527-F531 HydrophobicContact CB-CE1 4.39Å; F527-F531 HydrophobicContact CB-CE2 3.87Å; F527-F531 HydrophobicContact CB-CZ 3.94Å; F527-F531 HydrophobicContact CD1-CD1 4.24Å; F527-F531 AromaticContact CD1-CE1 3.56Å; F527-F531 HydrophobicContact CD1-CE1 3.56Å; F527-F531 HydrophobicContact CD1-CE2 4.46Å; F527-F531 AromaticContact CD1-CZ 3.7Å; F527-F531 HydrophobicContact CD1-CZ 3.7Å; F527-F531 HydrophobicContact CE1-CE1 4.26Å; F527-F531 HydrophobicContact CE1-CZ 4.49Å; F527-F531 HydrophobicContact CG-CE1 4.28Å; F527-F531 HydrophobicContact CG-CE2 4.4Å; F527-F531 AromaticContact CG-CZ 3.98Å; F527-F531 HydrophobicContact CG-CZ 3.98Å; F527-F531 VanDerWaalsContact O-CB 3.26Å; F527-F531 WeakPolarHBondContact O-CB 3.45Å; F527-F531 VanDerWaalsContact O-CD2 3.3Å; F527-F531 WeakPolarHBondContact O-CD2 3.11Å; F527-F531 WeakPolarHBondContact O-CG 3.37Å; F527-F531 PolarHBondContact O-N 3.5Å; G528-F531 PolarHBondContact O-N 3.25Å; F531-A534 PolarHBondContact O-N 3.11Å; F531-A535 WeakPolarHBondContact O-CB 3.34Å; F531-A535 PolarHBondContact O-N 2.99Å; F531-S550 WeakPolarHBondContact CE2-O 3.44Å; F531-I552 HydrophobicContact CB-CD1 4.08Å; F531-I552 HydrophobicContact CB-CG2 4.32Å; F531-I552 HydrophobicContact CD2-CD1 4.01Å; F531-I552 HydrophobicContact CD2-CG1 4.17Å; F531-I552 HydrophobicContact CD2-CG2 3.93Å; F531-I552 HydrophobicContact CG-CD1 3.99Å; F531-F562 HydrophobicContact CB-CZ 4.03Å; F531-F562 HydrophobicContact CD1-CE1 4.03Å; F531-F562 AromaticContact CD1-CZ 3.66Å; F531-F562 HydrophobicContact CD1-CZ 3.66Å; F531-F562 HydrophobicContact CE1-CE1 4.37Å; F531-F562 HydrophobicContact CE1-CZ 4.43Å; F531-F562 HydrophobicContact CG-CZ 4.04Å; F531-F562 WeakPolarHBondContact O-CE2 3.36Å; F531-L566 HydrophobicContact CD1-CD1 4.18Å; F531-L566 HydrophobicContact CD1-CD2 3.94Å; F531-L566 HydrophobicContact CE1-CD2 3.62Å
532E92.9Very high92.2Very high65 Ų6549 Ų4930%0.30425%0.251SS..Hα-helixtrans-59.2-52176-173.9-178.4-162.500111.3G528 R529 A534 A535 E536G528-E532 PolarHBondContact O-N 3.12Å; R529-E532 WeakPolarHBondContact CD-OE2 3.32Å; R529-E532 IonicContact CZ-OE2 3.66Å; R529-E532 IonicContact NE-OE2 2.69Å; R529-E532 IonicContact NH1-OE1 3.44Å; R529-E532 PolarHBondContact NH1-OE1 2.88Å; R529-E532 IonicContact NH1-OE2 3.34Å; R529-E532 PolarHBondContact NH1-OE2 3.05Å; E532-A534 VanDerWaalsContact C-N 3.32Å; E532-A534 PolarHBondContact O-N 3.37Å; E532-A535 WeakPolarHBondContact O-CB 3.23Å; E532-A535 PolarHBondContact O-N 3.04Å; E532-E536 WeakPolarHBondContact O-CG 3.29Å; E532-E536 PolarHBondContact O-N 2.6Å
533K91.9Very high92.7Very high80 Ų8047.4 Ų47.435%0.34824%0.242SC..Hα-helixtrans-61.4-37.8177.2-70.5-176.2-179.1-167.70113F190 R529 A535 S537 L569F190-K533 VanDerWaalsContact CD2-NZ 3.29Å; R529-K533 WeakPolarHBondContact O-CG 3.45Å; R529-K533 PolarHBondContact O-N 3.41Å; R529-K533 VanDerWaalsContact O-N 3.11Å; K533-A535 VanDerWaalsContact C-N 3.34Å; K533-S537 WeakPolarHBondContact O-CB 3.46Å; K533-S537 PolarHBondContact O-N 3.23Å; K533-S537 VanDerWaalsContact O-N 3.08Å; K533-S537 PolarHBondContact O-OG 3.45Å; K533-L569 HydrophobicContact CB-CD2 3.82Å
534A94.3Very high93Very high1 Ų148.3 Ų48.31%0.00825%0.246CC..Hα-helixtrans-67.1-36.8175.500000111.7A530 F531 E532 S537 T538 F562 L566A530-A534 VanDerWaalsContact O-CB 3.31Å; A530-A534 WeakPolarHBondContact O-CB 3.46Å; A530-A534 PolarHBondContact O-N 3.3Å; F531-A534 PolarHBondContact O-N 3.11Å; E532-A534 VanDerWaalsContact C-N 3.32Å; E532-A534 PolarHBondContact O-N 3.37Å; A534-S537 PolarHBondContact O-OG 3Å; A534-S537 VanDerWaalsContact O-OG 3.1Å; A534-T538 PolarHBondContact O-N 3.06Å; A534-T538 PolarHBondContact O-OG1 2.92Å; A534-F562 HydrophobicContact CB-CD2 4.05Å; A534-F562 HydrophobicContact CB-CE2 3.69Å; A534-F562 HydrophobicContact CB-CZ 4.16Å; A534-L566 HydrophobicContact CB-CB 4.16Å; A534-L566 HydrophobicContact CB-CD1 4.06Å
535A93.7Very high93.2Very high8 Ų845.6 Ų45.67%0.06624%0.236CC..Hα-helixtrans-67.6-45.917600000112.1F531 E532 K533 T538 S539 S540 T542 F562F531-A535 WeakPolarHBondContact O-CB 3.34Å; F531-A535 PolarHBondContact O-N 2.99Å; E532-A535 WeakPolarHBondContact O-CB 3.23Å; E532-A535 PolarHBondContact O-N 3.04Å; K533-A535 VanDerWaalsContact C-N 3.34Å; A535-T538 PolarHBondContact O-N 2.82Å; A535-S539 WeakPolarHBondContact O-CA 3.43Å; A535-S539 PolarHBondContact O-N 2.68Å; A535-S540 PolarHBondContact O-N 3.49Å; A535-T542 HydrophobicContact CB-CG2 3.84Å; A535-T542 VanDerWaalsContact CB-OG1 3.26Å; A535-T542 WeakPolarHBondContact CB-OG1 3.38Å; A535-F562 HydrophobicContact CB-CE2 4.21Å
536E93.1Very high93.2Very high136 Ų13646.9 Ų46.964%0.63624%0.241SC*.Hα-helixtrans-60.9-49.4178.2-71.9-178.7162.500112.1E532 T538 S539E532-E536 WeakPolarHBondContact O-CG 3.29Å; E532-E536 PolarHBondContact O-N 2.6Å; E536-T538 PolarHBondContact O-N 3.21Å; E536-S539 PolarHBondContact O-N 3.18Å
537S93.3Very high93.3Very high85 Ų8544.9 Ų44.959%0.59423%0.232SC*.Hα-helixtrans-63.8-26.4-177.5570000114.1K533 A534K533-S537 WeakPolarHBondContact O-CB 3.46Å; K533-S537 PolarHBondContact O-N 3.23Å; K533-S537 VanDerWaalsContact O-N 3.08Å; K533-S537 PolarHBondContact O-OG 3.45Å; A534-S537 PolarHBondContact O-OG 3Å; A534-S537 VanDerWaalsContact O-OG 3.1Å
538T92.9Very high93.2Very high32 Ų3246.1 Ų46.120%0.19624%0.239CC..Hα-helixtrans-108.70.2-177.857.80000113.9A534 A535 E536 S540 K561 A565A534-T538 PolarHBondContact O-N 3.06Å; A534-T538 PolarHBondContact O-OG1 2.92Å; A535-T538 PolarHBondContact O-N 2.82Å; E536-T538 PolarHBondContact O-N 3.21Å; T538-S540 WeakPolarHBondContact CB-OG 3.32Å; T538-S540 PolarHBondContact O-N 3.15Å; T538-S540 WeakPolarHBondContact OG1-CB 3.34Å; T538-S540 PolarHBondContact OG1-OG 3.04Å; T538-K561 PolarHBondContact O-NZ 2.92Å; T538-A565 HydrophobicContact CG2-CB 3.27Å
539S92.8Very high93.2Very high102 Ų10247.7 Ų47.771%0.71325%0.248SC*.THydrogen-bonded Turntrans42.547.4-168.5-51.20000110.9A535 E536 K561A535-S539 WeakPolarHBondContact O-CA 3.43Å; A535-S539 PolarHBondContact O-N 2.68Å; E536-S539 PolarHBondContact O-N 3.18Å; S539-K561 PolarHBondContact O-NZ 3.07Å
540S92.9Very high93.3Very high11 Ų1144.8 Ų44.88%0.07724%0.239CC..  trans-79.5139.2-180-71.20000110.2A535 T538 T542 K561A535-S540 PolarHBondContact O-N 3.49Å; T538-S540 WeakPolarHBondContact CB-OG 3.32Å; T538-S540 PolarHBondContact O-N 3.15Å; T538-S540 WeakPolarHBondContact OG1-CB 3.34Å; T538-S540 PolarHBondContact OG1-OG 3.04Å; S540-T542 VanDerWaalsContact C-N 3.32Å; S540-T542 PolarHBondContact O-N 2.91Å; S540-K561 VanDerWaalsContact OG-CE 3.29Å; S540-K561 WeakPolarHBondContact OG-CE 3.43Å
541R93.6Very high93.4Very high120 Ų12044.9 Ų44.945%0.45324%0.238SC..  trans-74.289.5176.5-67.2164.9-69175.6-1108.9K555 E557 D558R541-K555 HydrophobicContact CB-CB 4.19Å; R541-K555 HydrophobicContact CB-CG 3.7Å; R541-K555 PolarHBondContact O-N 3.17Å; R541-K555 VanDerWaalsContact O-N 3.17Å; R541-E557 IonicContact CZ-OE2 3.93Å; R541-E557 IonicContact NH1-OE2 3.6Å; R541-E557 PolarHBondContact NH1-OE2 3.32Å; R541-E557 IonicContact NH2-OE2 2.71Å; R541-E557 PolarHBondContact NH2-OE2 2.85Å; R541-D558 WeakPolarHBondContact CB-OD2 3.07Å; R541-D558 IonicContact CZ-OD1 3.24Å; R541-D558 IonicContact CZ-OD2 3.34Å; R541-D558 PolarHBondContact N-OD2 3.48Å; R541-D558 IonicContact NE-OD1 2.64Å; R541-D558 IonicContact NE-OD2 2.66Å; R541-D558 PolarHBondContact NE-OD2 3.15Å; R541-D558 IonicContact NH2-OD1 3.62Å; R541-D558 PolarHBondContact NH2-OD1 3.25Å; R541-D558 IonicContact NH2-OD2 3.03Å; R541-D558 PolarHBondContact NH2-OD2 2.86Å
542T93.6Very high93.4Very high38 Ų3845 Ų4523%0.23324%0.239CC..EExtended strand (participates in β ladder)trans-110.7153.5174.853.30000110.2A535 S540 I552 E553 L554 F562A535-T542 HydrophobicContact CB-CG2 3.84Å; A535-T542 VanDerWaalsContact CB-OG1 3.26Å; A535-T542 WeakPolarHBondContact CB-OG1 3.38Å; S540-T542 VanDerWaalsContact C-N 3.32Å; S540-T542 PolarHBondContact O-N 2.91Å; T542-I552 HydrophobicContact CG2-CD1 4.2Å; T542-E553 CarbonylContact C-O 3.57Å; T542-E553 VanDerWaalsContact CA-O 3.22Å; T542-E553 WeakPolarHBondContact CA-O 3.49Å; T542-L554 HydrophobicContact CG2-CD1 3.53Å; T542-F562 HydrophobicContact CG2-CD2 4.34Å; T542-F562 HydrophobicContact CG2-CE2 4.13Å
543L92.9Very high93.6Very high61 Ų6143.5 Ų43.532%0.31923%0.232SC..EExtended strand (participates in β ladder)trans-131.9119.8171.6177.171.5000108.3Q56 D545 E553Q56-L543 VanDerWaalsContact NE2-CD1 3.28Å; L543-D545 HydrophobicContact CD1-CB 4.43Å; L543-D545 HydrophobicContact CD2-CB 3.89Å; L543-D545 HydrophobicContact CG-CB 3.84Å; L543-D545 PolarHBondContact O-N 3.49Å; L543-E553 HydrophobicContact CB-CB 4.19Å; L543-E553 PolarHBondContact N-O 3.47Å; L543-E553 PolarHBondContact O-N 3.09Å
544H91.4Very high93.7Very high54 Ų5439.9 Ų39.925%0.2522%0.216CC..  trans-97.264.8175.8-69.6-108.5000109.1I552H544-I552 WeakPolarHBondContact CE1-CG2 3.13Å; H544-I552 WeakPolarHBondContact ND1-CG2 3.22Å
545D92.9Very high93.8Very high21 Ų2142.7 Ų42.711%0.11223%0.229CC..  trans-86.6-23.5-176.3-174.650.9000113.2G54 W55 Q56 L543G54-D545 CarbonylContact C-O 3.57Å; G54-D545 WeakPolarHBondContact CA-O 3.42Å; W55-D545 PolarHBondContact N-O 3.31Å; W55-D545 PolarHBondContact N-OD1 3.41Å; Q56-D545 VanDerWaalsContact CB-OD1 3.27Å; Q56-D545 WeakPolarHBondContact CB-OD1 3.23Å; Q56-D545 VanDerWaalsContact CG-OD1 3.24Å; Q56-D545 WeakPolarHBondContact CG-OD1 3.42Å; Q56-D545 PolarHBondContact N-OD1 3.21Å; L543-D545 HydrophobicContact CD1-CB 4.43Å; L543-D545 HydrophobicContact CD2-CB 3.89Å; L543-D545 HydrophobicContact CG-CB 3.84Å; L543-D545 PolarHBondContact O-N 3.49Å
546H94.1Very high93.6Very high40 Ų4044.6 Ų44.619%0.18524%0.242CC..SBendtrans-76.1149-179.8-164-92000111.6W55 D548 I551W55-H546 PolarHBondContact NE1-O 3.04Å; W55-H546 VanDerWaalsContact NE1-O 3.15Å; H546-D548 VanDerWaalsContact C-N 3.34Å; H546-D548 IonicContact CE1-OD2 2.79Å; H546-D548 PolarHBondContact CE1-OD2 3.25Å; H546-D548 WeakPolarHBondContact ND1-CB 2.92Å; H546-D548 PolarHBondContact ND1-N 3.46Å; H546-D548 IonicContact ND1-OD2 3.59Å; H546-D548 PolarHBondContact O-N 2.98Å; H546-I551 HydrophobicContact CB-CB 4.1Å; H546-I551 HydrophobicContact CB-CG2 4.29Å
547F94.9Very high93.6Very high6 Ų645.3 Ų45.33%0.02625%0.245CC..SBendtrans-64.7-36.7178.6-60.9-57.2000112.7A24 V52 W55 L58 C77 N80 T549A24-F547 HydrophobicContact CB-CD2 3.79Å; A24-F547 HydrophobicContact CB-CE2 3.7Å; V52-F547 HydrophobicContact CB-CZ 4.24Å; V52-F547 HydrophobicContact CG2-CE2 4.08Å; V52-F547 HydrophobicContact CG2-CZ 3.73Å; W55-F547 AromaticContact CD2-CD1 3.81Å; W55-F547 HydrophobicContact CD2-CD1 3.81Å; W55-F547 AromaticContact CD2-CE1 3.91Å; W55-F547 HydrophobicContact CD2-CE1 3.91Å; W55-F547 AromaticContact CE2-CD1 3.63Å; W55-F547 HydrophobicContact CE3-CD1 4.04Å; W55-F547 AromaticContact CE3-CE1 3.84Å; W55-F547 HydrophobicContact CE3-CE1 3.84Å; W55-F547 HydrophobicContact CG-CD1 4.43Å; W55-F547 HydrophobicContact CG-CE1 4.44Å; W55-F547 AromaticContact CH2-CD1 3.99Å; W55-F547 HydrophobicContact CH2-CD1 3.99Å; W55-F547 HydrophobicContact CH2-CE1 4.43Å; W55-F547 AromaticContact CZ2-CD1 3.74Å; W55-F547 HydrophobicContact CZ2-CD1 3.74Å; W55-F547 HydrophobicContact CZ2-CE1 4.48Å; W55-F547 HydrophobicContact CZ3-CD1 4.13Å; W55-F547 HydrophobicContact CZ3-CE1 4.12Å; L58-F547 HydrophobicContact CD1-CE1 3.84Å; L58-F547 HydrophobicContact CD1-CZ 4.14Å; C77-F547 HydrophobicContact CB-CD1 3.6Å; C77-F547 HydrophobicContact CB-CD2 4.14Å; C77-F547 HydrophobicContact CB-CE1 3.43Å; C77-F547 VanDerWaalsContact CB-CE1 3.43Å; C77-F547 HydrophobicContact CB-CE2 3.98Å; C77-F547 HydrophobicContact CB-CG 3.98Å; C77-F547 HydrophobicContact CB-CZ 3.63Å; N80-F547 PolarHBondContact ND2-O 3.11Å; F547-T549 PolarHBondContact O-N 2.83Å
548D93.1Very high93.6Very high25 Ų2541.9 Ų41.913%0.13422%0.22CC..SBendtrans-75.6113.9164.8-63.9-54.9000110.5H101 H198 H546 S550 I551H101-D548 IonicContact CD2-OD1 3.71Å; H101-D548 PolarHBondContact CD2-OD1 2.87Å; H101-D548 IonicContact NE2-OD1 3.02Å; H101-D548 PolarHBondContact NE2-OD1 3.48Å; H101-D548 VanDerWaalsContact NE2-OD1 3.12Å; H198-D548 IonicContact CE1-OD1 2.62Å; H198-D548 PolarHBondContact CE1-OD1 3.17Å; H198-D548 IonicContact NE2-OD1 3.56Å; H198-D548 PolarHBondContact NE2-OD1 3.46Å; H546-D548 VanDerWaalsContact C-N 3.34Å; H546-D548 IonicContact CE1-OD2 2.79Å; H546-D548 PolarHBondContact CE1-OD2 3.25Å; H546-D548 WeakPolarHBondContact ND1-CB 2.92Å; H546-D548 PolarHBondContact ND1-N 3.46Å; H546-D548 IonicContact ND1-OD2 3.59Å; H546-D548 PolarHBondContact O-N 2.98Å; D548-S550 PolarHBondContact O-N 3.25Å; D548-I551 HydrophobicContact CB-CD1 4.42Å; D548-I551 HydrophobicContact CB-CG1 4.33Å; D548-I551 PolarHBondContact O-N 3.46Å; D548-I551 VanDerWaalsContact O-N 3.11Å
549T91.2Very high93.6Very high36 Ų3644 Ų4422%0.22122%0.224CC..THydrogen-bonded Turntrans-70.1-17.4-178.135.60000113.8E196 G528 F547 I551E196-T549 WeakPolarHBondContact OE1-CB 3.37Å; E196-T549 PolarHBondContact OE1-OG1 2.91Å; E196-T549 PolarHBondContact OE2-OG1 3.47Å; G528-T549 VanDerWaalsContact CA-O 3.28Å; G528-T549 WeakPolarHBondContact CA-O 3.48Å; F547-T549 PolarHBondContact O-N 2.83Å; T549-I551 PolarHBondContact O-N 2.74Å
550S94.5Very high93.6Very high13 Ų1342.9 Ų42.99%0.09122%0.216CC..THydrogen-bonded Turntrans-69.7-0.8168.662.80000115.6E196 G513 N525 F531 D548E196-S550 WeakPolarHBondContact OE2-CB 3.05Å; E196-S550 PolarHBondContact OE2-N 3.47Å; E196-S550 VanDerWaalsContact OE2-N 3.07Å; G513-S550 PolarHBondContact N-O 3.35Å; N525-S550 WeakPolarHBondContact ND2-CB 3.46Å; N525-S550 PolarHBondContact ND2-OG 2.84Å; F531-S550 WeakPolarHBondContact CE2-O 3.44Å; D548-S550 PolarHBondContact O-N 3.25Å
551I96.4Very high93.7Very high8 Ų846.1 Ų46.14%0.04123%0.229CC..EExtended strand (participates in β ladder)trans-118.4120.8174.9-52.8-174000109.1P468 I510 V511 V512 H546 D548 T549P468-I551 HydrophobicContact CB-CD1 3.97Å; P468-I551 HydrophobicContact CB-CG2 4.46Å; I510-I551 HydrophobicContact CD1-CG2 3.93Å; I510-I551 HydrophobicContact CG1-CG2 4.04Å; V511-I551 WeakPolarHBondContact O-CA 3.5Å; V512-I551 HydrophobicContact CG1-CG1 4.37Å; V512-I551 HydrophobicContact CG2-CD1 4.36Å; V512-I551 HydrophobicContact CG2-CG1 4.11Å; V512-I551 HydrophobicContact CG2-CG2 4.09Å; H546-I551 HydrophobicContact CB-CB 4.1Å; H546-I551 HydrophobicContact CB-CG2 4.29Å; D548-I551 HydrophobicContact CB-CD1 4.42Å; D548-I551 HydrophobicContact CB-CG1 4.33Å; D548-I551 PolarHBondContact O-N 3.46Å; D548-I551 VanDerWaalsContact O-N 3.11Å; T549-I551 PolarHBondContact O-N 2.74Å
552I95.9Very high93.8Very high2 Ų240.5 Ų40.51%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-130.8157.8-177.967.3171.2000111.6V511 F531 T542 H544 F562V511-I552 HydrophobicContact CB-CD1 4.37Å; V511-I552 HydrophobicContact CB-CG1 3.77Å; V511-I552 HydrophobicContact CG2-CG1 4.38Å; V511-I552 PolarHBondContact N-O 3.07Å; V511-I552 PolarHBondContact O-N 3.08Å; F531-I552 HydrophobicContact CB-CD1 4.08Å; F531-I552 HydrophobicContact CB-CG2 4.32Å; F531-I552 HydrophobicContact CD2-CD1 4.01Å; F531-I552 HydrophobicContact CD2-CG1 4.17Å; F531-I552 HydrophobicContact CD2-CG2 3.93Å; F531-I552 HydrophobicContact CG-CD1 3.99Å; T542-I552 HydrophobicContact CG2-CD1 4.2Å; H544-I552 WeakPolarHBondContact CE1-CG2 3.13Å; H544-I552 WeakPolarHBondContact ND1-CG2 3.22Å; I552-F562 HydrophobicContact CD1-CE1 4.11Å; I552-F562 HydrophobicContact CD1-CE2 4.27Å; I552-F562 HydrophobicContact CD1-CZ 3.61Å
553E95.1Very high93.8Very high35 Ų3539.5 Ų39.516%0.16420%0.201CC..EExtended strand (participates in β ladder)trans-102.4136164.2-68.8173-130.300110.1K502 V509 T542 L543K502-E553 HydrophobicContact CD-CG 3.86Å; K502-E553 WeakPolarHBondContact CD-OE2 3.38Å; K502-E553 IonicContact NZ-OE1 3.12Å; K502-E553 PolarHBondContact NZ-OE1 3.36Å; K502-E553 IonicContact NZ-OE2 2.74Å; K502-E553 PolarHBondContact NZ-OE2 3.21Å; V509-E553 WeakPolarHBondContact O-CA 3.47Å; T542-E553 CarbonylContact C-O 3.57Å; T542-E553 VanDerWaalsContact CA-O 3.22Å; T542-E553 WeakPolarHBondContact CA-O 3.49Å; L543-E553 HydrophobicContact CB-CB 4.19Å; L543-E553 PolarHBondContact N-O 3.47Å; L543-E553 PolarHBondContact O-N 3.09Å
554L95.3Very high93.9Very high3 Ų340.8 Ų40.82%0.01621%0.208CC..EExtended strand (participates in β ladder)trans-133.1141.5-176.3176.865.5000109.8T508 V509 V511 T542 D558 R559 F562T508-L554 WeakPolarHBondContact CA-O 3.47Å; V509-L554 HydrophobicContact CG2-CB 4.01Å; V509-L554 HydrophobicContact CG2-CG 4.48Å; V509-L554 WeakPolarHBondContact CG2-O 3.29Å; V509-L554 PolarHBondContact N-O 3.19Å; V509-L554 PolarHBondContact O-N 3.39Å; V511-L554 HydrophobicContact CG2-CB 4.11Å; V511-L554 HydrophobicContact CG2-CD2 4.26Å; T542-L554 HydrophobicContact CG2-CD1 3.53Å; L554-D558 HydrophobicContact CD1-CB 4.13Å; L554-R559 HydrophobicContact CD2-CB 4.16Å; L554-R559 HydrophobicContact CD2-CG 4.27Å; L554-F562 HydrophobicContact CD1-CB 4.41Å; L554-F562 HydrophobicContact CD1-CG 4.36Å; L554-F562 HydrophobicContact CD2-CB 4.16Å; L554-F562 HydrophobicContact CD2-CD1 3.79Å; L554-F562 HydrophobicContact CD2-CE1 4.4Å; L554-F562 HydrophobicContact CD2-CG 4Å
555K95.4Very high94Very high60 Ų6039 Ų3926%0.26120%0.204SC..EExtended strand (participates in β ladder)trans-68.9131.7169.4-74.8-66.5-172.2-173.30110.7K506 T508 R541 E557 D558 R559K506-K555 PolarHBondContact O-NZ 3.35Å; T508-K555 HydrophobicContact CG2-CD 3.99Å; R541-K555 HydrophobicContact CB-CB 4.19Å; R541-K555 HydrophobicContact CB-CG 3.7Å; R541-K555 PolarHBondContact O-N 3.17Å; R541-K555 VanDerWaalsContact O-N 3.17Å; K555-E557 PolarHBondContact O-N 3.14Å; K555-E557 VanDerWaalsContact O-N 3.09Å; K555-D558 PolarHBondContact O-N 3Å; K555-R559 PolarHBondContact O-N 3.19Å
556S91.2Very high94.1Very high49 Ų4938 Ų3834%0.34320%0.198SC..G310 helixtrans-54.2-34.3-177.6-64.20000113.9G507 V509 R559G507-S556 PolarHBondContact O-N 3.26Å; G507-S556 PolarHBondContact O-OG 3.23Å; G507-S556 VanDerWaalsContact O-OG 3.13Å; V509-S556 WeakPolarHBondContact CG1-OG 2.79Å; S556-R559 WeakPolarHBondContact O-CB 3.41Å
557E92.6Very high94.1Very high151 Ų15137.7 Ų37.771%0.70620%0.197SC*.G310 helixtrans-65.7-35.3178.4-62.5173.4171.800112.9R541 K555 R559R541-E557 IonicContact CZ-OE2 3.93Å; R541-E557 IonicContact NH1-OE2 3.6Å; R541-E557 PolarHBondContact NH1-OE2 3.32Å; R541-E557 IonicContact NH2-OE2 2.71Å; R541-E557 PolarHBondContact NH2-OE2 2.85Å; K555-E557 PolarHBondContact O-N 3.14Å; K555-E557 VanDerWaalsContact O-N 3.09Å; E557-R559 VanDerWaalsContact C-N 3.31Å
558D93.9Very high94Very high13 Ų1342.6 Ų42.67%0.0723%0.228CC..G310 helixtrans-87.1-6.3-174.1-67.8-9.9000112.1R541 L554 K555 S560 K561 F562R541-D558 WeakPolarHBondContact CB-OD2 3.07Å; R541-D558 IonicContact CZ-OD1 3.24Å; R541-D558 IonicContact CZ-OD2 3.34Å; R541-D558 PolarHBondContact N-OD2 3.48Å; R541-D558 IonicContact NE-OD1 2.64Å; R541-D558 IonicContact NE-OD2 2.66Å; R541-D558 PolarHBondContact NE-OD2 3.15Å; R541-D558 IonicContact NH2-OD1 3.62Å; R541-D558 PolarHBondContact NH2-OD1 3.25Å; R541-D558 IonicContact NH2-OD2 3.03Å; R541-D558 PolarHBondContact NH2-OD2 2.86Å; L554-D558 HydrophobicContact CD1-CB 4.13Å; K555-D558 PolarHBondContact O-N 3Å; D558-S560 PolarHBondContact O-N 2.92Å; D558-K561 VanDerWaalsContact CB-CE 3.4Å; D558-K561 HydrophobicContact CB-CG 4.48Å; D558-K561 WeakPolarHBondContact O-CG 3.38Å; D558-K561 PolarHBondContact O-N 2.92Å; D558-K561 WeakPolarHBondContact OD1-CE 3.37Å; D558-K561 IonicContact OD1-NZ 3.7Å; D558-K561 IonicContact OD2-NZ 3.54Å; D558-F562 VanDerWaalsContact O-CB 3.31Å; D558-F562 WeakPolarHBondContact O-CB 3.47Å; D558-F562 PolarHBondContact O-N 3.11Å
559R92.9Very high94Very high75 Ų7545.1 Ų45.128%0.28324%0.241SC..Hα-helixtrans-58.1-42.5-173.9-172.7179.166102.73114Y452 L554 K555 S556 E557 L563Y452-R559 WeakPolarHBondContact OH-CD 3.47Å; Y452-R559 PolarHBondContact OH-NH1 3.37Å; L554-R559 HydrophobicContact CD2-CB 4.16Å; L554-R559 HydrophobicContact CD2-CG 4.27Å; K555-R559 PolarHBondContact O-N 3.19Å; S556-R559 WeakPolarHBondContact O-CB 3.41Å; E557-R559 VanDerWaalsContact C-N 3.31Å; R559-L563 HydrophobicContact CG-CD1 4Å; R559-L563 HydrophobicContact CG-CG 4.49Å; R559-L563 WeakPolarHBondContact O-CB 3.3Å; R559-L563 VanDerWaalsContact O-CG 3.25Å; R559-L563 WeakPolarHBondContact O-CG 3.48Å; R559-L563 PolarHBondContact O-N 2.89Å
560S92.4Very high94Very high79 Ų7945.8 Ų45.855%0.55224%0.243SC*.Hα-helixtrans-65.4-52.8-177.5-164.30000111.2D558 F562 L563 D564D558-S560 PolarHBondContact O-N 2.92Å; S560-F562 VanDerWaalsContact C-N 3.29Å; S560-F562 PolarHBondContact O-N 3.38Å; S560-L563 PolarHBondContact O-N 3.33Å; S560-D564 VanDerWaalsContact O-CG 3.3Å; S560-D564 PolarHBondContact O-N 3Å
561K94.6Very high93.7Very high80 Ų8051.2 Ų51.235%0.34828%0.281SS..Hα-helixtrans-61.3-38.8179.759.4169.7-176.3160.90112T538 S539 S540 D558 D564 A565T538-K561 PolarHBondContact O-NZ 2.92Å; S539-K561 PolarHBondContact O-NZ 3.07Å; S540-K561 VanDerWaalsContact OG-CE 3.29Å; S540-K561 WeakPolarHBondContact OG-CE 3.43Å; D558-K561 VanDerWaalsContact CB-CE 3.4Å; D558-K561 HydrophobicContact CB-CG 4.48Å; D558-K561 WeakPolarHBondContact O-CG 3.38Å; D558-K561 PolarHBondContact O-N 2.92Å; D558-K561 WeakPolarHBondContact OD1-CE 3.37Å; D558-K561 IonicContact OD1-NZ 3.7Å; D558-K561 IonicContact OD2-NZ 3.54Å; K561-D564 PolarHBondContact O-N 3.04Å; K561-A565 PolarHBondContact O-N 3.4Å
562F95.3Very high93.5Very high1 Ų153.4 Ų53.40%0.00429%0.293CS..Hα-helixtrans-62.2-46.8177177.8-96.3000111.7F531 A534 A535 T542 I552 L554 D558 S560 A565 L566F531-F562 HydrophobicContact CB-CZ 4.03Å; F531-F562 HydrophobicContact CD1-CE1 4.03Å; F531-F562 AromaticContact CD1-CZ 3.66Å; F531-F562 HydrophobicContact CD1-CZ 3.66Å; F531-F562 HydrophobicContact CE1-CE1 4.37Å; F531-F562 HydrophobicContact CE1-CZ 4.43Å; F531-F562 HydrophobicContact CG-CZ 4.04Å; F531-F562 WeakPolarHBondContact O-CE2 3.36Å; A534-F562 HydrophobicContact CB-CD2 4.05Å; A534-F562 HydrophobicContact CB-CE2 3.69Å; A534-F562 HydrophobicContact CB-CZ 4.16Å; A535-F562 HydrophobicContact CB-CE2 4.21Å; T542-F562 HydrophobicContact CG2-CD2 4.34Å; T542-F562 HydrophobicContact CG2-CE2 4.13Å; I552-F562 HydrophobicContact CD1-CE1 4.11Å; I552-F562 HydrophobicContact CD1-CE2 4.27Å; I552-F562 HydrophobicContact CD1-CZ 3.61Å; L554-F562 HydrophobicContact CD1-CB 4.41Å; L554-F562 HydrophobicContact CD1-CG 4.36Å; L554-F562 HydrophobicContact CD2-CB 4.16Å; L554-F562 HydrophobicContact CD2-CD1 3.79Å; L554-F562 HydrophobicContact CD2-CE1 4.4Å; L554-F562 HydrophobicContact CD2-CG 4Å; D558-F562 VanDerWaalsContact O-CB 3.31Å; D558-F562 WeakPolarHBondContact O-CB 3.47Å; D558-F562 PolarHBondContact O-N 3.11Å; S560-F562 VanDerWaalsContact C-N 3.29Å; S560-F562 PolarHBondContact O-N 3.38Å; F562-A565 PolarHBondContact O-N 3.32Å; F562-L566 HydrophobicContact CE1-CD2 4.46Å; F562-L566 WeakPolarHBondContact O-CB 3.44Å; F562-L566 PolarHBondContact O-N 3.44Å
563L94.1Very high93.4Very high17 Ų1756.1 Ų56.19%0.08931%0.308CS..Hα-helixtrans-65.1-39.9177.8-70.6172.9000112F450 Y452 R559 S560 A565 L566 I567F450-L563 HydrophobicContact CE2-CD2 4.44Å; F450-L563 HydrophobicContact CZ-CD2 4.4Å; Y452-L563 HydrophobicContact CD2-CD1 4.28Å; Y452-L563 HydrophobicContact CD2-CD2 4Å; Y452-L563 HydrophobicContact CE1-CD1 4.04Å; Y452-L563 HydrophobicContact CE2-CD1 3.77Å; Y452-L563 HydrophobicContact CE2-CD2 3.84Å; Y452-L563 HydrophobicContact CE2-CG 4.46Å; R559-L563 HydrophobicContact CG-CD1 4Å; R559-L563 HydrophobicContact CG-CG 4.49Å; R559-L563 WeakPolarHBondContact O-CB 3.3Å; R559-L563 VanDerWaalsContact O-CG 3.25Å; R559-L563 WeakPolarHBondContact O-CG 3.48Å; R559-L563 PolarHBondContact O-N 2.89Å; S560-L563 PolarHBondContact O-N 3.33Å; L563-A565 PolarHBondContact O-N 3.22Å; L563-L566 PolarHBondContact O-N 3.36Å; L563-I567 VanDerWaalsContact O-CG1 3.22Å; L563-I567 WeakPolarHBondContact O-CG1 3.45Å; L563-I567 PolarHBondContact O-N 2.98Å
564D93.9Very high93.3Very high88 Ų8857.3 Ų57.347%0.47132%0.316SS..Hα-helixtrans-63.5-40.8177.8-67.4-27.5000112.1S560 K561 I567 T568S560-D564 VanDerWaalsContact O-CG 3.3Å; S560-D564 PolarHBondContact O-N 3Å; K561-D564 PolarHBondContact O-N 3.04Å; D564-I567 PolarHBondContact O-N 3.03Å; D564-T568 PolarHBondContact O-N 2.88Å; D564-T568 VanDerWaalsContact O-N 3.07Å; D564-T568 PolarHBondContact O-OG1 3.17Å
565A94.3Very high93.2Very high18 Ų1860.5 Ų60.515%0.14933%0.334CS..Hα-helixtrans-66.3-40.9173.800000112.1T538 K561 F562 L563 I567 T568 L569T538-A565 HydrophobicContact CG2-CB 3.27Å; K561-A565 PolarHBondContact O-N 3.4Å; F562-A565 PolarHBondContact O-N 3.32Å; L563-A565 PolarHBondContact O-N 3.22Å; A565-I567 VanDerWaalsContact C-N 3.34Å; A565-I567 PolarHBondContact O-N 3.22Å; A565-T568 WeakPolarHBondContact O-CB 3.46Å; A565-T568 PolarHBondContact O-N 2.84Å; A565-T568 VanDerWaalsContact O-N 3.16Å; A565-L569 WeakPolarHBondContact O-CB 3.41Å; A565-L569 PolarHBondContact O-N 3.1Å
566L94.3Very high93.1Very high0 Ų060.5 Ų60.50%034%0.338CS..Hα-helixtrans-65.5-37176.9-170.367.4000112.3F450 I497 A530 F531 A534 F562 L563 T568 L569 L570F450-L566 HydrophobicContact CE1-CB 4.34Å; F450-L566 HydrophobicContact CE1-CD2 3.95Å; F450-L566 HydrophobicContact CE1-CG 3.89Å; F450-L566 HydrophobicContact CZ-CD2 4.04Å; F450-L566 HydrophobicContact CZ-CG 4.33Å; I497-L566 HydrophobicContact CD1-CD2 3.29Å; A530-L566 HydrophobicContact CB-CD1 3.93Å; F531-L566 HydrophobicContact CD1-CD1 4.18Å; F531-L566 HydrophobicContact CD1-CD2 3.94Å; F531-L566 HydrophobicContact CE1-CD2 3.62Å; A534-L566 HydrophobicContact CB-CB 4.16Å; A534-L566 HydrophobicContact CB-CD1 4.06Å; F562-L566 HydrophobicContact CE1-CD2 4.46Å; F562-L566 WeakPolarHBondContact O-CB 3.44Å; F562-L566 PolarHBondContact O-N 3.44Å; L563-L566 PolarHBondContact O-N 3.36Å; L566-T568 VanDerWaalsContact C-N 3.31Å; L566-L569 HydrophobicContact CD1-CD2 4.45Å; L566-L569 PolarHBondContact O-N 3.1Å; L566-L570 HydrophobicContact CD1-CD1 3.89Å; L566-L570 HydrophobicContact CD1-CG 4.26Å; L566-L570 HydrophobicContact CG-CD1 3.91Å; L566-L570 WeakPolarHBondContact O-CB 3.42Å; L566-L570 WeakPolarHBondContact O-CG 3.47Å; L566-L570 PolarHBondContact O-N 3.27Å; L566-L570 VanDerWaalsContact O-N 3.11Å
567I94.6Very high93.2Very high32 Ų3261.3 Ų61.316%0.16434%0.338CS..Hα-helixtrans-60.7-45.5172.1-69.2163.7000109.6Q447 P449 F450 L563 D564 A565 L569 L570 S571Q447-I567 HydrophobicContact CB-CD1 3.85Å; Q447-I567 HydrophobicContact CB-CG1 3.99Å; Q447-I567 HydrophobicContact CG-CD1 4.36Å; P449-I567 HydrophobicContact CG-CG2 4.45Å; F450-I567 HydrophobicContact CE1-CG1 3.83Å; F450-I567 HydrophobicContact CZ-CG1 3.66Å; L563-I567 VanDerWaalsContact O-CG1 3.22Å; L563-I567 WeakPolarHBondContact O-CG1 3.45Å; L563-I567 PolarHBondContact O-N 2.98Å; D564-I567 PolarHBondContact O-N 3.03Å; A565-I567 VanDerWaalsContact C-N 3.34Å; A565-I567 PolarHBondContact O-N 3.22Å; I567-L569 VanDerWaalsContact C-N 3.32Å; I567-L569 PolarHBondContact O-N 2.9Å; I567-L570 PolarHBondContact O-N 3.28Å; I567-S571 VanDerWaalsContact O-CB 3.22Å; I567-S571 WeakPolarHBondContact O-CB 3.47Å; I567-S571 PolarHBondContact O-N 2.95Å; I567-S571 PolarHBondContact O-OG 2.94Å
568T93.9Very high93.2Very high109 Ų10954.9 Ų54.967%0.66931%0.312SS*.Hα-helixtrans-65.7-36179.8-53.60000112.2D564 A565 L566D564-T568 PolarHBondContact O-N 2.88Å; D564-T568 VanDerWaalsContact O-N 3.07Å; D564-T568 PolarHBondContact O-OG1 3.17Å; A565-T568 WeakPolarHBondContact O-CB 3.46Å; A565-T568 PolarHBondContact O-N 2.84Å; A565-T568 VanDerWaalsContact O-N 3.16Å; L566-T568 VanDerWaalsContact C-N 3.31Å
569L92.4Very high93.2Very high79 Ų7958.1 Ų58.141%0.41433%0.33SS..Hα-helixtrans-70.3-34.6179.7-176.665.3000113A530 K533 A565 L566 I567A530-L569 HydrophobicContact CB-CD2 4.26Å; A530-L569 WeakPolarHBondContact O-CD2 3.46Å; K533-L569 HydrophobicContact CB-CD2 3.82Å; A565-L569 WeakPolarHBondContact O-CB 3.41Å; A565-L569 PolarHBondContact O-N 3.1Å; L566-L569 HydrophobicContact CD1-CD2 4.45Å; L566-L569 PolarHBondContact O-N 3.1Å; I567-L569 VanDerWaalsContact C-N 3.32Å; I567-L569 PolarHBondContact O-N 2.9Å
570L91Very high93.2Very high50 Ų5056.7 Ų56.726%0.26233%0.334SS..Hα-helixtrans-102.8-6.9-172.9-61.1177.7000114.2P449 F450 F526 F527 A530 L566 I567P449-L570 HydrophobicContact CB-CB 3.68Å; P449-L570 WeakPolarHBondContact CB-O 3.36Å; P449-L570 HydrophobicContact CG-CB 3.82Å; F450-L570 HydrophobicContact CD1-CD1 3.8Å; F450-L570 HydrophobicContact CE1-CD1 4.19Å; F526-L570 HydrophobicContact CD2-CD2 4.16Å; F526-L570 HydrophobicContact CE2-CD1 3.96Å; F526-L570 HydrophobicContact CE2-CD2 3.71Å; F527-L570 HydrophobicContact CE1-CD1 4.04Å; A530-L570 HydrophobicContact CB-CD2 4.25Å; L566-L570 HydrophobicContact CD1-CD1 3.89Å; L566-L570 HydrophobicContact CD1-CG 4.26Å; L566-L570 HydrophobicContact CG-CD1 3.91Å; L566-L570 WeakPolarHBondContact O-CB 3.42Å; L566-L570 WeakPolarHBondContact O-CG 3.47Å; L566-L570 PolarHBondContact O-N 3.27Å; L566-L570 VanDerWaalsContact O-N 3.11Å; I567-L570 PolarHBondContact O-N 3.28Å
571S87.4Confident93.3Very high127 Ų12754.6 Ų54.689%0.88831%0.314SS*.  trans-84.20176-63.60000111.3I567I567-S571 VanDerWaalsContact O-CB 3.22Å; I567-S571 WeakPolarHBondContact O-CB 3.47Å; I567-S571 PolarHBondContact O-N 2.95Å; I567-S571 PolarHBondContact O-OG 2.94Å

Retrieved 571 of 571 residues in 301.3 ms (Link to these results)

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