A0A5K4EIV9_SCHMA Loading...

Protein transport protein SEC23

Component of the coat protein complex II (COPII) which promotes the formation of transport vesicles from the endoplasmic reticulum (ER). The coat has two main functions, the physical deformation of the endoplasmic reticulum membrane into vesicles and the selection of cargo molecules.

AlphaFold DB , UniProt , Accession A0A5K4EIV9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 793 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
1M47.3Very low86.2Confident240 Ų24082.8 Ų82.8100%1.18245%0.446SS*.  0130.70-77.2-171.2-102.900106
2A68.9Low86.9Confident70 Ų7078.2 Ų78.258%0.57942%0.419SS*.  trans-60.2138.9172.700000109E6A2-E6 WeakPolarHBondContact CA-OE2 3.49Å; A2-E6 HydrophobicContact CB-CB 4Å
3T87.5Confident87.4Confident76 Ų7680 Ų8047%0.46643%0.427SS..  trans-62.2162.6170.866.40000110A5 E6 F7T3-A5 PolarHBondContact O-N 3.34Å; T3-E6 PolarHBondContact N-OE2 3.4Å; T3-E6 PolarHBondContact O-N 3.37Å; T3-E6 VanDerWaalsContact OG1-CG 3.3Å; T3-E6 WeakPolarHBondContact OG1-CG 3.39Å; T3-E6 PolarHBondContact OG1-N 2.93Å; T3-E6 VanDerWaalsContact OG1-N 3.16Å; T3-F7 PolarHBondContact O-N 2.9Å
4M91.4Very high87.7Confident57 Ų5777.3 Ų77.328%0.28141%0.412SS..Hα-helixtrans-60.7-36.3175.5-170.966.97300111.6F7 I8 N22 C543M4-F7 WeakPolarHBondContact O-CB 3.3Å; M4-F7 PolarHBondContact O-N 3.33Å; M4-F7 HydrophobicContact SD-CD1 3.77Å; M4-F7 HydrophobicContact SD-CE1 4.42Å; M4-I8 HydrophobicContact CG-CD1 4.02Å; M4-I8 HydrophobicContact CG-CG1 4.45Å; M4-I8 VanDerWaalsContact O-CG1 3.24Å; M4-I8 WeakPolarHBondContact O-CG1 3.21Å; M4-I8 PolarHBondContact O-N 3.06Å; M4-N22 HydrophobicContact SD-CB 3.86Å; M4-C543 VanDerWaalsContact CG-O 3.23Å; M4-C543 WeakPolarHBondContact CG-O 3.24Å
5A89.9Confident88.2Confident57 Ų5773.1 Ų73.147%0.47139%0.39SS..Hα-helixtrans-61.7-46.7175.200000112T3 F7 I8 Q9T3-A5 PolarHBondContact O-N 3.34Å; A5-F7 VanDerWaalsContact C-N 3.31Å; A5-F7 PolarHBondContact O-N 3.13Å; A5-I8 PolarHBondContact O-N 3.24Å; A5-Q9 WeakPolarHBondContact O-CG 3.5Å; A5-Q9 PolarHBondContact O-N 2.91Å
6E93.1Very high88.7Confident100 Ų10068.6 Ų68.647%0.46737%0.367SS..Hα-helixtrans-61.6-39.6174.6-73.1167.4169.400111.7A2 T3 Q9 Q10A2-E6 WeakPolarHBondContact CA-OE2 3.49Å; A2-E6 HydrophobicContact CB-CB 4Å; T3-E6 PolarHBondContact N-OE2 3.4Å; T3-E6 PolarHBondContact O-N 3.37Å; T3-E6 VanDerWaalsContact OG1-CG 3.3Å; T3-E6 WeakPolarHBondContact OG1-CG 3.39Å; T3-E6 PolarHBondContact OG1-N 2.93Å; T3-E6 VanDerWaalsContact OG1-N 3.16Å; E6-Q9 PolarHBondContact O-N 3.26Å; E6-Q10 VanDerWaalsContact O-CB 3.3Å; E6-Q10 WeakPolarHBondContact O-CB 3.48Å; E6-Q10 PolarHBondContact O-N 2.7Å
7F94Very high89.2Confident81 Ų8164.6 Ų64.636%0.35535%0.345SS..Hα-helixtrans-62-43.7175168.1-99.2000112.4T3 M4 A5 Q10 S11 N22T3-F7 PolarHBondContact O-N 2.9Å; M4-F7 WeakPolarHBondContact O-CB 3.3Å; M4-F7 PolarHBondContact O-N 3.33Å; M4-F7 HydrophobicContact SD-CD1 3.77Å; M4-F7 HydrophobicContact SD-CE1 4.42Å; A5-F7 VanDerWaalsContact C-N 3.31Å; A5-F7 PolarHBondContact O-N 3.13Å; F7-Q10 PolarHBondContact O-N 3.15Å; F7-S11 VanDerWaalsContact O-CB 3.3Å; F7-S11 WeakPolarHBondContact O-CB 3.29Å; F7-S11 PolarHBondContact O-N 2.71Å; F7-N22 HydrophobicContact CE1-CB 4.44Å
8I94.5Very high89.7Confident13 Ų1361.9 Ų61.97%0.06733%0.33CS..Hα-helixtrans-62.5-47.7177.7-71.3165.9000110.4M4 A5 Q10 S11 E12 R18 N22 D546M4-I8 HydrophobicContact CG-CD1 4.02Å; M4-I8 HydrophobicContact CG-CG1 4.45Å; M4-I8 VanDerWaalsContact O-CG1 3.24Å; M4-I8 WeakPolarHBondContact O-CG1 3.21Å; M4-I8 PolarHBondContact O-N 3.06Å; A5-I8 PolarHBondContact O-N 3.24Å; I8-Q10 PolarHBondContact O-N 3.43Å; I8-S11 WeakPolarHBondContact O-CB 3.31Å; I8-S11 PolarHBondContact O-N 3.22Å; I8-E12 PolarHBondContact O-N 2.8Å; I8-R18 VanDerWaalsContact CG2-CD 3.47Å; I8-N22 WeakPolarHBondContact CD1-ND2 3.38Å; I8-N22 WeakPolarHBondContact CG1-ND2 3.43Å; I8-D546 HydrophobicContact CD1-CB 4.2Å; I8-D546 WeakPolarHBondContact CG2-OD2 3.24Å
9Q93.9Very high90.2Very high114 Ų11458.7 Ų58.753%0.53331%0.312SS..Hα-helixtrans-61.1-44.1177.1-71.2176.7-2.600111.6A5 E6 S11 E12 I13A5-Q9 WeakPolarHBondContact O-CG 3.5Å; A5-Q9 PolarHBondContact O-N 2.91Å; E6-Q9 PolarHBondContact O-N 3.26Å; Q9-S11 VanDerWaalsContact C-N 3.33Å; Q9-S11 PolarHBondContact O-N 3.2Å; Q9-E12 PolarHBondContact O-N 3.06Å; Q9-I13 WeakPolarHBondContact O-CG1 3.14Å; Q9-I13 PolarHBondContact O-N 3.15Å
10Q93.1Very high90.6Very high95 Ų9555.8 Ų55.844%0.44430%0.297SS..Hα-helixtrans-65.5-36.9177.7-166.165.742.500112.2E6 F7 I8 E12 I13 N14E6-Q10 VanDerWaalsContact O-CB 3.3Å; E6-Q10 WeakPolarHBondContact O-CB 3.48Å; E6-Q10 PolarHBondContact O-N 2.7Å; F7-Q10 PolarHBondContact O-N 3.15Å; I8-Q10 PolarHBondContact O-N 3.43Å; Q10-E12 VanDerWaalsContact C-N 3.33Å; Q10-I13 PolarHBondContact O-N 3.25Å; Q10-N14 VanDerWaalsContact NE2-CG 3.34Å; Q10-N14 PolarHBondContact NE2-ND2 3.28Å; Q10-N14 PolarHBondContact NE2-OD1 2.8Å; Q10-N14 VanDerWaalsContact O-CB 3.25Å; Q10-N14 WeakPolarHBondContact O-CB 3.5Å; Q10-N14 VanDerWaalsContact O-CG 3.27Å; Q10-N14 PolarHBondContact O-N 2.72Å
11S94.2Very high90.9Very high8 Ų853.1 Ų53.16%0.05628%0.283CS..Hα-helixtrans-61.8-39.9173.5176.80000111.3F7 I8 Q9 D15 G16 I17 R529F7-S11 VanDerWaalsContact O-CB 3.3Å; F7-S11 WeakPolarHBondContact O-CB 3.29Å; F7-S11 PolarHBondContact O-N 2.71Å; I8-S11 WeakPolarHBondContact O-CB 3.31Å; I8-S11 PolarHBondContact O-N 3.22Å; Q9-S11 VanDerWaalsContact C-N 3.33Å; Q9-S11 PolarHBondContact O-N 3.2Å; S11-D15 WeakPolarHBondContact O-CA 3.39Å; S11-D15 WeakPolarHBondContact O-CB 3.25Å; S11-D15 PolarHBondContact O-N 2.74Å; S11-G16 PolarHBondContact O-N 3.39Å; S11-I17 CarbonylContact C-O 3.47Å; S11-I17 PolarHBondContact OG-O 3.45Å; S11-I17 VanDerWaalsContact OG-O 3.09Å; S11-R529 PolarHBondContact OG-NH2 3.16Å
12E95.1Very high93.3Very high27 Ų2742 Ų4213%0.12623%0.228CC..Hα-helixtrans-68.8-42.8175.4-176.9169.3-157.100112.6I8 Q9 Q10 G16 I17 R18I8-E12 PolarHBondContact O-N 2.8Å; Q9-E12 PolarHBondContact O-N 3.06Å; Q10-E12 VanDerWaalsContact C-N 3.33Å; E12-G16 WeakPolarHBondContact O-CA 3.18Å; E12-G16 PolarHBondContact O-N 2.98Å; E12-I17 PolarHBondContact N-O 3.34Å; E12-R18 HydrophobicContact CB-CG 3.96Å; E12-R18 HydrophobicContact CG-CG 3.99Å; E12-R18 VanDerWaalsContact OE2-CD 3.27Å; E12-R18 WeakPolarHBondContact OE2-CD 3.42Å; E12-R18 IonicContact OE2-CZ 3.44Å; E12-R18 IonicContact OE2-NE 3.32Å; E12-R18 IonicContact OE2-NH1 3.41Å; E12-R18 PolarHBondContact OE2-NH1 3.23Å
13I93.1Very high94.5Very high102 Ų10238.8 Ų38.852%0.52320%0.202SC..Hα-helixtrans-64.9-46.2178.4-68.4165.9000110.9Q9 Q10Q9-I13 WeakPolarHBondContact O-CG1 3.14Å; Q9-I13 PolarHBondContact O-N 3.15Å; Q10-I13 PolarHBondContact O-N 3.25Å
14N92.4Very high94.9Very high42 Ų4235.2 Ų35.223%0.22518%0.179CC..Hα-helixtrans-80.2-45.2-174.7-69.6-9.3000112.4Q10 R48Q10-N14 VanDerWaalsContact NE2-CG 3.34Å; Q10-N14 PolarHBondContact NE2-ND2 3.28Å; Q10-N14 PolarHBondContact NE2-OD1 2.8Å; Q10-N14 VanDerWaalsContact O-CB 3.25Å; Q10-N14 WeakPolarHBondContact O-CB 3.5Å; Q10-N14 VanDerWaalsContact O-CG 3.27Å; Q10-N14 PolarHBondContact O-N 2.72Å; N14-R48 WeakPolarHBondContact O-CD 3.29Å; N14-R48 PolarHBondContact O-NH1 2.71Å
15D95Very high94.9Very high14 Ų1432.5 Ų32.58%0.07517%0.166CC..Hα-helixtrans-112.7-9-167.9-61.9-52.4000113.1S11 I17 T113 T114 T525 V527S11-D15 WeakPolarHBondContact O-CA 3.39Å; S11-D15 WeakPolarHBondContact O-CB 3.25Å; S11-D15 PolarHBondContact O-N 2.74Å; D15-I17 VanDerWaalsContact C-N 3.27Å; D15-I17 HydrophobicContact CB-CB 4.43Å; D15-I17 HydrophobicContact CB-CD1 4.18Å; D15-I17 HydrophobicContact CB-CG1 4.34Å; D15-T113 VanDerWaalsContact CG-OG1 3.3Å; D15-T113 WeakPolarHBondContact OD1-CB 3.29Å; D15-T113 PolarHBondContact OD1-OG1 3.26Å; D15-T113 PolarHBondContact OD2-OG1 2.93Å; D15-T114 PolarHBondContact OD1-N 3.46Å; D15-T114 PolarHBondContact OD1-OG1 2.9Å; D15-T525 HydrophobicContact CB-CG2 3.82Å; D15-V527 HydrophobicContact CB-CG1 4.31Å
16G96.2Very high94.9Very high2 Ų230 Ų302%0.02115%0.145CC..SBendtrans65.731.7-173.500000112S11 E12 Y42 T43S11-G16 PolarHBondContact O-N 3.39Å; E12-G16 WeakPolarHBondContact O-CA 3.18Å; E12-G16 PolarHBondContact O-N 2.98Å; G16-Y42 WeakPolarHBondContact O-CA 3.41Å; G16-T43 PolarHBondContact O-N 3.49Å
17I97.6Very high94.8Very high0 Ų025.2 Ų25.20%012%0.123CC..EExtended strand (participates in β ladder)trans-127.2130.9-173.8-65.9169.6000112.4S11 E12 D15 F19 C40 L41 Y42 F509 T525 V527S11-I17 CarbonylContact C-O 3.47Å; S11-I17 PolarHBondContact OG-O 3.45Å; S11-I17 VanDerWaalsContact OG-O 3.09Å; E12-I17 PolarHBondContact N-O 3.34Å; D15-I17 VanDerWaalsContact C-N 3.27Å; D15-I17 HydrophobicContact CB-CB 4.43Å; D15-I17 HydrophobicContact CB-CD1 4.18Å; D15-I17 HydrophobicContact CB-CG1 4.34Å; I17-F19 HydrophobicContact CG2-CD2 3.6Å; I17-F19 HydrophobicContact CG2-CE2 3.41Å; I17-F19 VanDerWaalsContact CG2-CE2 3.41Å; I17-F19 HydrophobicContact CG2-CZ 4.3Å; I17-C40 HydrophobicContact CG2-CB 4.02Å; I17-L41 WeakPolarHBondContact CA-O 3.27Å; I17-Y42 HydrophobicContact CD1-CD2 3.74Å; I17-Y42 HydrophobicContact CD1-CE2 4Å; I17-Y42 HydrophobicContact CG1-CD2 3.34Å; I17-Y42 HydrophobicContact CG1-CE2 3.98Å; I17-Y42 HydrophobicContact CG1-CG 4.2Å; I17-F509 HydrophobicContact CD1-CD2 3.8Å; I17-F509 HydrophobicContact CD1-CE2 3.49Å; I17-F509 VanDerWaalsContact CD1-CE2 3.49Å; I17-F509 HydrophobicContact CD1-CZ 4.39Å; I17-T525 HydrophobicContact CD1-CG2 3.39Å; I17-T525 HydrophobicContact CG1-CG2 4.48Å; I17-V527 HydrophobicContact CD1-CG1 3.62Å; I17-V527 HydrophobicContact CD1-CG2 4.28Å
18R97.9Very high94.7Very high17 Ų1726.9 Ų26.96%0.06413%0.127CC..EExtended strand (participates in β ladder)trans-125.8122.8168.9-66.3-76.5-67.2-96.21.6109.9I8 E12 C40 L41 D546 E548 A549 C640I8-R18 VanDerWaalsContact CG2-CD 3.47Å; E12-R18 HydrophobicContact CB-CG 3.96Å; E12-R18 HydrophobicContact CG-CG 3.99Å; E12-R18 VanDerWaalsContact OE2-CD 3.27Å; E12-R18 WeakPolarHBondContact OE2-CD 3.42Å; E12-R18 IonicContact OE2-CZ 3.44Å; E12-R18 IonicContact OE2-NE 3.32Å; E12-R18 IonicContact OE2-NH1 3.41Å; E12-R18 PolarHBondContact OE2-NH1 3.23Å; R18-C40 CarbonylContact O-C 3.51Å; R18-C40 WeakPolarHBondContact O-CA 3.32Å; R18-C40 WeakPolarHBondContact O-CB 3.28Å; R18-L41 HydrophobicContact CB-CB 4.47Å; R18-L41 PolarHBondContact N-O 3.28Å; R18-L41 PolarHBondContact O-N 2.93Å; R18-D546 IonicContact CZ-OD1 2.76Å; R18-D546 IonicContact CZ-OD2 3.72Å; R18-D546 VanDerWaalsContact CZ-OD2 3.32Å; R18-D546 IonicContact NE-OD1 3.05Å; R18-D546 IonicContact NE-OD2 3.5Å; R18-D546 PolarHBondContact NE-OD2 3.25Å; R18-D546 VanDerWaalsContact NH2-CG 3.33Å; R18-D546 IonicContact NH2-OD1 3.41Å; R18-D546 PolarHBondContact NH2-OD1 3.14Å; R18-D546 IonicContact NH2-OD2 3.83Å; R18-D546 PolarHBondContact NH2-OD2 2.89Å; R18-E548 IonicContact CZ-OE2 3.39Å; R18-E548 IonicContact NH1-OE2 3.6Å; R18-E548 PolarHBondContact NH1-OE2 3.25Å; R18-E548 IonicContact NH2-OE2 3.12Å; R18-E548 PolarHBondContact NH2-OE2 3.29Å; R18-A549 HydrophobicContact CB-CB 3.87Å; R18-C640 HydrophobicContact CG-CB 4.4Å
19F98.6Very high94.5Very high0 Ų031.5 Ų31.50%015%0.151CC..EExtended strand (participates in β ladder)trans-99.2144.3176.3-81.7-92.3000110.8I17 W21 N22 W24 G39 C40 F483 V507 V527 D546I17-F19 HydrophobicContact CG2-CD2 3.6Å; I17-F19 HydrophobicContact CG2-CE2 3.41Å; I17-F19 VanDerWaalsContact CG2-CE2 3.41Å; I17-F19 HydrophobicContact CG2-CZ 4.3Å; F19-W21 WeakPolarHBondContact CB-O 3.39Å; F19-W21 PolarHBondContact O-N 2.85Å; F19-N22 PolarHBondContact O-ND2 2.82Å; F19-W24 AromaticContact CD1-CZ2 3.98Å; F19-W24 HydrophobicContact CD1-CZ2 3.98Å; F19-W24 HydrophobicContact CE1-CH2 4.41Å; F19-W24 AromaticContact CE1-CZ2 3.51Å; F19-W24 HydrophobicContact CE1-CZ2 3.51Å; F19-W24 HydrophobicContact CE2-CZ2 4.42Å; F19-W24 HydrophobicContact CZ-CH2 4.4Å; F19-W24 AromaticContact CZ-CZ2 3.77Å; F19-W24 HydrophobicContact CZ-CZ2 3.77Å; F19-G39 CarbonylContact C-O 3.55Å; F19-G39 VanDerWaalsContact CA-O 3.28Å; F19-G39 WeakPolarHBondContact CA-O 3.45Å; F19-G39 WeakPolarHBondContact CD1-O 3.33Å; F19-C40 HydrophobicContact CD1-CB 3.62Å; F19-C40 HydrophobicContact CD2-CB 4.07Å; F19-C40 HydrophobicContact CE1-CB 3.64Å; F19-C40 HydrophobicContact CE2-CB 4.12Å; F19-C40 HydrophobicContact CG-CB 3.83Å; F19-C40 HydrophobicContact CZ-CB 3.89Å; F19-F483 HydrophobicContact CE1-CD2 4.42Å; F19-F483 AromaticContact CE1-CE2 3.94Å; F19-F483 HydrophobicContact CE1-CE2 3.94Å; F19-V507 HydrophobicContact CZ-CG2 4.45Å; F19-V527 HydrophobicContact CE2-CB 4.49Å; F19-V527 HydrophobicContact CE2-CG2 3.76Å; F19-V527 HydrophobicContact CZ-CG2 3.89Å; F19-D546 WeakPolarHBondContact O-CB 3.34Å
20S98.3Very high94.3Very high0 Ų026.7 Ų26.70%013%0.128CC..SBendtrans-57.8-37.916749.10000112.4P37 G39 F545 D546S20-P37 PolarHBondContact OG-O 2.96Å; S20-G39 PolarHBondContact N-O 3.47Å; S20-G39 PolarHBondContact OG-N 3.07Å; S20-G39 VanDerWaalsContact OG-N 3.08Å; S20-G39 PolarHBondContact OG-O 3.34Å; S20-F545 VanDerWaalsContact O-CD2 3.29Å; S20-F545 WeakPolarHBondContact O-CD2 3.34Å; S20-D546 PolarHBondContact O-N 2.91Å
21W97.7Very high94.3Very high0 Ų023 Ų230%011%0.113CC..BIsolated β-bridgetrans-128.7118.8179-61.8100.5000110.3F19 A23 W24 C34 V36 M541 F545 F585 F602F19-W21 WeakPolarHBondContact CB-O 3.39Å; F19-W21 PolarHBondContact O-N 2.85Å; W21-A23 VanDerWaalsContact C-N 3.31Å; W21-W24 VanDerWaalsContact O-CD1 3.27Å; W21-W24 PolarHBondContact O-NE1 2.86Å; W21-C34 HydrophobicContact CZ2-CB 3.79Å; W21-V36 HydrophobicContact CZ2-CB 4.45Å; W21-V36 PolarHBondContact NE1-O 2.83Å; W21-M541 HydrophobicContact CE3-CG 4Å; W21-M541 HydrophobicContact CZ3-CG 3.85Å; W21-F545 AromaticContact CD2-CD2 3.79Å; W21-F545 HydrophobicContact CD2-CD2 3.79Å; W21-F545 HydrophobicContact CD2-CE2 4.49Å; W21-F545 AromaticContact CE2-CD2 3.66Å; W21-F545 AromaticContact CE2-CE2 3.95Å; W21-F545 HydrophobicContact CE3-CB 3.99Å; W21-F545 AromaticContact CE3-CD2 3.75Å; W21-F545 HydrophobicContact CE3-CD2 3.75Å; W21-F545 HydrophobicContact CE3-CG 4.34Å; W21-F545 HydrophobicContact CH2-CB 4.23Å; W21-F545 AromaticContact CH2-CD2 3.45Å; W21-F545 HydrophobicContact CH2-CD2 3.45Å; W21-F545 VanDerWaalsContact CH2-CD2 3.45Å; W21-F545 HydrophobicContact CH2-CE2 4.05Å; W21-F545 HydrophobicContact CH2-CG 4.04Å; W21-F545 AromaticContact CZ2-CD2 3.51Å; W21-F545 HydrophobicContact CZ2-CD2 3.51Å; W21-F545 AromaticContact CZ2-CE2 3.72Å; W21-F545 HydrophobicContact CZ2-CE2 3.72Å; W21-F545 HydrophobicContact CZ2-CG 4.5Å; W21-F545 HydrophobicContact CZ3-CB 3.67Å; W21-F545 AromaticContact CZ3-CD2 3.6Å; W21-F545 HydrophobicContact CZ3-CD2 3.6Å; W21-F545 AromaticContact CZ3-CG 3.97Å; W21-F545 HydrophobicContact CZ3-CG 3.97Å; W21-F585 HydrophobicContact CH2-CD2 4.42Å; W21-F585 AromaticContact CH2-CE1 3.84Å; W21-F585 HydrophobicContact CH2-CE1 3.84Å; W21-F585 AromaticContact CH2-CE2 3.61Å; W21-F585 HydrophobicContact CH2-CE2 3.61Å; W21-F585 AromaticContact CH2-CZ 3.26Å; W21-F585 HydrophobicContact CH2-CZ 3.26Å; W21-F585 HydrophobicContact CZ2-CE2 4.09Å; W21-F585 HydrophobicContact CZ2-CZ 4.03Å; W21-F585 HydrophobicContact CZ3-CE1 4.17Å; W21-F585 AromaticContact CZ3-CZ 3.94Å; W21-F585 HydrophobicContact CZ3-CZ 3.94Å; W21-F602 AromaticContact CH2-CE1 3.82Å; W21-F602 HydrophobicContact CH2-CE1 3.82Å; W21-F602 AromaticContact CH2-CZ 3.63Å; W21-F602 HydrophobicContact CH2-CZ 3.63Å; W21-F602 HydrophobicContact CZ3-CE1 4.47Å; W21-F602 AromaticContact CZ3-CZ 3.88Å; W21-F602 HydrophobicContact CZ3-CZ 3.88Å
22N97Very high94.2Very high7 Ų726.1 Ų26.14%0.03714%0.139CC..SBendtrans-93.78.5174.9-64.6-83.3000112.7M4 F7 I8 F19 R529 G544M4-N22 HydrophobicContact SD-CB 3.86Å; F7-N22 HydrophobicContact CE1-CB 4.44Å; I8-N22 WeakPolarHBondContact CD1-ND2 3.38Å; I8-N22 WeakPolarHBondContact CG1-ND2 3.43Å; F19-N22 PolarHBondContact O-ND2 2.82Å; N22-R529 WeakPolarHBondContact O-CD 3.38Å; N22-R529 VanDerWaalsContact OD1-CZ 3.3Å; N22-R529 PolarHBondContact OD1-NE 2.96Å; N22-R529 PolarHBondContact OD1-NH2 3.42Å; N22-G544 WeakPolarHBondContact CB-O 3.33Å; N22-G544 PolarHBondContact N-O 2.7Å; N22-G544 PolarHBondContact ND2-O 3.03Å
23A94.1Very high94Very high3 Ų328.6 Ų28.63%0.02515%0.151CC..EExtended strand (participates in β ladder)trans-137.3127165.800000107.3W21 I532W21-A23 VanDerWaalsContact C-N 3.31Å; A23-I532 HydrophobicContact CB-CB 4.49Å; A23-I532 HydrophobicContact CB-CD1 3.32Å; A23-I532 HydrophobicContact CB-CG1 3.79Å
24W95Very high94Very high0 Ų023.8 Ų23.80%013%0.126CC..EExtended strand (participates in β ladder)trans-102.9132.5-172.8-62.3-21000111.7F19 W21 I38 L436 G505 V507 R529 N530 W531 I532F19-W24 AromaticContact CD1-CZ2 3.98Å; F19-W24 HydrophobicContact CD1-CZ2 3.98Å; F19-W24 HydrophobicContact CE1-CH2 4.41Å; F19-W24 AromaticContact CE1-CZ2 3.51Å; F19-W24 HydrophobicContact CE1-CZ2 3.51Å; F19-W24 HydrophobicContact CE2-CZ2 4.42Å; F19-W24 HydrophobicContact CZ-CH2 4.4Å; F19-W24 AromaticContact CZ-CZ2 3.77Å; F19-W24 HydrophobicContact CZ-CZ2 3.77Å; W21-W24 VanDerWaalsContact O-CD1 3.27Å; W21-W24 PolarHBondContact O-NE1 2.86Å; W24-I38 HydrophobicContact CB-CD1 4.16Å; W24-I38 HydrophobicContact CG-CD1 4.19Å; W24-I38 HydrophobicContact CG-CG2 4.36Å; W24-L436 HydrophobicContact CE3-CD2 4.25Å; W24-L436 HydrophobicContact CH2-CD2 4.15Å; W24-L436 HydrophobicContact CZ3-CD2 3.85Å; W24-G505 VanDerWaalsContact CZ3-C 3.44Å; W24-V507 HydrophobicContact CH2-CG2 3.74Å; W24-V507 HydrophobicContact CZ2-CG2 4.47Å; W24-V507 HydrophobicContact CZ3-CG2 4.41Å; W24-R529 HydrophobicContact CD2-CB 3.73Å; W24-R529 HydrophobicContact CD2-CG 4.28Å; W24-R529 HydrophobicContact CE3-CB 4.09Å; W24-R529 HydrophobicContact CG-CB 4.23Å; W24-R529 HydrophobicContact CH2-CB 3.98Å; W24-R529 HydrophobicContact CH2-CG 4Å; W24-R529 HydrophobicContact CZ2-CB 3.64Å; W24-R529 HydrophobicContact CZ2-CG 3.35Å; W24-R529 HydrophobicContact CZ3-CB 4.23Å; W24-N530 PolarHBondContact N-O 3.1Å; W24-W531 HydrophobicContact CB-CD2 4.44Å; W24-W531 HydrophobicContact CB-CE3 3.58Å; W24-W531 HydrophobicContact CB-CH2 4.31Å; W24-W531 HydrophobicContact CB-CZ3 3.51Å; W24-W531 AromaticContact CE3-CH2 3.97Å; W24-W531 HydrophobicContact CE3-CH2 3.97Å; W24-W531 HydrophobicContact CE3-CZ2 4.05Å; W24-W531 HydrophobicContact CE3-CZ3 4.3Å; W24-W531 HydrophobicContact CG-CZ3 4.46Å; W24-W531 CarbonylContact O-C 3.52Å; W24-W531 WeakPolarHBondContact O-CA 3.27Å; W24-I532 PolarHBondContact O-N 2.61Å
25P93Very high94.1Very high0 Ų022.9 Ų22.90%012%0.122CC..EExtended strand (participates in β ladder)trans-62136.9174.422.6-31.3000111S27 E30 S31 I38 V485 W531 I532P25-S27 VanDerWaalsContact C-N 3.31Å; P25-S27 PolarHBondContact O-N 3.18Å; P25-E30 HydrophobicContact CB-CB 3.68Å; P25-S31 VanDerWaalsContact CG-CA 3.46Å; P25-I38 HydrophobicContact CG-CD1 4.08Å; P25-V485 HydrophobicContact CG-CG2 4.4Å; P25-V485 WeakPolarHBondContact O-CG2 3.47Å; P25-W531 VanDerWaalsContact O-CZ3 3.23Å; P25-W531 WeakPolarHBondContact O-CZ3 3.49Å; P25-I532 WeakPolarHBondContact CA-O 3.2Å
26I90.1Very high94.3Very high4 Ų422.3 Ų22.32%0.02112%0.119CC..SBendtrans-70-21-177.549.2-168000115.1E30 T487 V495 W531 I532 D533I26-E30 WeakPolarHBondContact CG1-OE1 3.49Å; I26-T487 VanDerWaalsContact O-CB 3.31Å; I26-T487 WeakPolarHBondContact O-CB 3.44Å; I26-V495 HydrophobicContact CB-CG1 3.92Å; I26-V495 HydrophobicContact CD1-CB 3.3Å; I26-V495 HydrophobicContact CD1-CG1 3.28Å; I26-V495 HydrophobicContact CD1-CG2 3.89Å; I26-V495 HydrophobicContact CG1-CB 4.08Å; I26-V495 HydrophobicContact CG1-CG1 3.62Å; I26-V495 HydrophobicContact CG1-CG2 4.37Å; I26-W531 HydrophobicContact CG2-CB 3.67Å; I26-W531 HydrophobicContact CG2-CG 4.46Å; I26-I532 PolarHBondContact N-O 3.16Å; I26-I532 VanDerWaalsContact N-O 3.08Å; I26-D533 HydrophobicContact CD1-CB 3.39Å; I26-D533 HydrophobicContact CG1-CB 4.47Å
27S90.6Very high94.3Very high1 Ų123.4 Ų23.41%0.00713%0.126CC..SBendtrans-129.4152.9-175.775.10000112.8P25 L29 E30 S31 T487P25-S27 VanDerWaalsContact C-N 3.31Å; P25-S27 PolarHBondContact O-N 3.18Å; S27-L29 PolarHBondContact O-N 3Å; S27-E30 PolarHBondContact O-N 3.21Å; S27-E30 VanDerWaalsContact OG-CG 3.25Å; S27-E30 WeakPolarHBondContact OG-CG 3.45Å; S27-E30 PolarHBondContact OG-N 2.82Å; S27-E30 PolarHBondContact OG-OE1 2.9Å; S27-S31 PolarHBondContact O-N 3.16Å; S27-T487 WeakPolarHBondContact CA-O 3.43Å
28R90.8Very high94.3Very high116 Ų11623.4 Ų23.444%0.43813%0.126SC..Hα-helixtrans-56.6-37.5175.9-169.6178.1-172.1171.59.7112.8S31 A32 E484 T487R28-S31 PolarHBondContact O-N 2.89Å; R28-A32 PolarHBondContact O-N 3.24Å; R28-E484 IonicContact NH2-OE2 3.22Å; R28-T487 PolarHBondContact N-O 3.32Å
29L90.5Very high94.3Very high110 Ų11022.6 Ų22.658%0.57612%0.123SC*.Hα-helixtrans-64.5-47.4178.5179.563.4000111S27 S31 A32 Q33S27-L29 PolarHBondContact O-N 3Å; L29-S31 VanDerWaalsContact C-N 3.34Å; L29-A32 PolarHBondContact O-N 3.39Å; L29-Q33 WeakPolarHBondContact O-CG 3.22Å; L29-Q33 PolarHBondContact O-N 2.92Å; L29-Q33 VanDerWaalsContact O-N 3.14Å
30E90.2Very high94.3Very high13 Ų1322.6 Ų22.66%0.06112%0.123CC..Hα-helixtrans-65.1-40.3177.2-68.8171.3-117.600111.4P25 I26 S27 A32 Q33 C34 S534P25-E30 HydrophobicContact CB-CB 3.68Å; I26-E30 WeakPolarHBondContact CG1-OE1 3.49Å; S27-E30 PolarHBondContact O-N 3.21Å; S27-E30 VanDerWaalsContact OG-CG 3.25Å; S27-E30 WeakPolarHBondContact OG-CG 3.45Å; S27-E30 PolarHBondContact OG-N 2.82Å; S27-E30 PolarHBondContact OG-OE1 2.9Å; E30-A32 VanDerWaalsContact C-N 3.29Å; E30-A32 PolarHBondContact O-N 2.84Å; E30-Q33 WeakPolarHBondContact O-CA 3.16Å; E30-Q33 WeakPolarHBondContact O-CB 3.35Å; E30-Q33 PolarHBondContact O-N 3.1Å; E30-C34 PolarHBondContact O-N 3.01Å; E30-C34 VanDerWaalsContact O-N 3.14Å; E30-C34 PolarHBondContact O-SG 3.49Å; E30-S534 VanDerWaalsContact CD-OG 3.25Å; E30-S534 WeakPolarHBondContact CG-OG 3.39Å; E30-S534 WeakPolarHBondContact OE2-CB 3.34Å; E30-S534 PolarHBondContact OE2-N 2.77Å; E30-S534 PolarHBondContact OE2-OG 2.87Å
31S92.9Very high94.4Very high17 Ų1722.8 Ų22.812%0.11912%0.124CC..Hα-helixtrans-59.1-38.4173.6-171.70000113P25 S27 R28 L29 Q33 C34P25-S31 VanDerWaalsContact CG-CA 3.46Å; S27-S31 PolarHBondContact O-N 3.16Å; R28-S31 PolarHBondContact O-N 2.89Å; L29-S31 VanDerWaalsContact C-N 3.34Å; S31-Q33 VanDerWaalsContact C-N 3.3Å; S31-C34 WeakPolarHBondContact O-CB 3.46Å; S31-C34 PolarHBondContact O-N 2.85Å
32A91.8Very high94.4Very high74 Ų7422.8 Ų22.861%0.61212%0.124SC*.Hα-helixtrans-68.5-31.4175.400000112.1R28 L29 E30 C34 V35R28-A32 PolarHBondContact O-N 3.24Å; L29-A32 PolarHBondContact O-N 3.39Å; E30-A32 VanDerWaalsContact C-N 3.29Å; E30-A32 PolarHBondContact O-N 2.84Å; A32-C34 VanDerWaalsContact C-N 3.31Å; A32-V35 PolarHBondContact O-N 3.11Å
33Q92Very high94.4Very high78 Ų7822.8 Ų22.836%0.36412%0.124SC..Hα-helixtrans-72.9-20175.9-67.9178.98.400113.4L29 E30 S31 V35 K584L29-Q33 WeakPolarHBondContact O-CG 3.22Å; L29-Q33 PolarHBondContact O-N 2.92Å; L29-Q33 VanDerWaalsContact O-N 3.14Å; E30-Q33 WeakPolarHBondContact O-CA 3.16Å; E30-Q33 WeakPolarHBondContact O-CB 3.35Å; E30-Q33 PolarHBondContact O-N 3.1Å; S31-Q33 VanDerWaalsContact C-N 3.3Å; Q33-V35 PolarHBondContact O-N 2.74Å; Q33-K584 HydrophobicContact CB-CD 4.43Å; Q33-K584 WeakPolarHBondContact O-CG 3.23Å
34C93.6Very high94.2Very high1 Ų122.8 Ų22.81%0.00712%0.124CC..THydrogen-bonded Turntrans-65.9-18.9173.4-68.10000113.2W21 E30 S31 A32 V36 M541W21-C34 HydrophobicContact CZ2-CB 3.79Å; E30-C34 PolarHBondContact O-N 3.01Å; E30-C34 VanDerWaalsContact O-N 3.14Å; E30-C34 PolarHBondContact O-SG 3.49Å; S31-C34 WeakPolarHBondContact O-CB 3.46Å; S31-C34 PolarHBondContact O-N 2.85Å; A32-C34 VanDerWaalsContact C-N 3.31Å; C34-V36 PolarHBondContact O-N 3.16Å; C34-M541 VanDerWaalsContact SG-SD 3.67Å
35V94.5Very high93.7Very high24 Ų2423.1 Ų23.115%0.14513%0.125CC..SBendtrans66.1-60-179.3-171.60000113.5A32 Q33 Q577 K580 L581A32-V35 PolarHBondContact O-N 3.11Å; Q33-V35 PolarHBondContact O-N 2.74Å; V35-Q577 HydrophobicContact CG1-CB 4.08Å; V35-Q577 WeakPolarHBondContact CG1-O 3.42Å; V35-K580 HydrophobicContact CG1-CB 4.01Å; V35-K580 HydrophobicContact CG2-CB 3.69Å; V35-L581 HydrophobicContact CB-CB 4.24Å; V35-L581 HydrophobicContact CG1-CB 4.4Å; V35-L581 HydrophobicContact CG2-CB 4.49Å
36V97.3Very high93.6Very high2 Ų226 Ų261%0.01214%0.138CC..SBendtrans-69.2124.8168.4174.50000108.1W21 C34 F545 A550 I554 L581 Y605W21-V36 HydrophobicContact CZ2-CB 4.45Å; W21-V36 PolarHBondContact NE1-O 2.83Å; C34-V36 PolarHBondContact O-N 3.16Å; V36-F545 HydrophobicContact CB-CE2 4.29Å; V36-F545 HydrophobicContact CG1-CE2 4.29Å; V36-F545 HydrophobicContact CG2-CE2 4.32Å; V36-F545 HydrophobicContact CG2-CZ 4.42Å; V36-A550 HydrophobicContact CG1-CB 3.88Å; V36-I554 HydrophobicContact CG1-CG1 4.39Å; V36-I554 HydrophobicContact CG2-CD1 4.37Å; V36-I554 HydrophobicContact CG2-CG1 4.21Å; V36-L581 HydrophobicContact CG2-CD1 3.51Å; V36-Y605 HydrophobicContact CG2-CE2 4.45Å; V36-Y605 WeakPolarHBondContact CG2-OH 3.37Å
37P96.9Very high93.3Very high24 Ų2429.2 Ų29.216%0.15615%0.152CC..  trans-66.5156.6-178.728.3-34.9000111.4S20 G39 Y482 M557S20-P37 PolarHBondContact OG-O 2.96Å; P37-G39 PolarHBondContact O-N 3.45Å; P37-G39 VanDerWaalsContact O-N 3.14Å; P37-Y482 HydrophobicContact CB-CD1 4.41Å; P37-Y482 HydrophobicContact CG-CD1 3.86Å; P37-Y482 HydrophobicContact CG-CE1 4.19Å; P37-M557 HydrophobicContact CG-CE 4.34Å; P37-M557 HydrophobicContact CG-SD 3.68Å
38I97.9Very high92.9Very high0 Ų030.7 Ų30.70%016%0.158CC..EExtended strand (participates in β ladder)trans-65.5115164-55174.2000106.6W24 P25 L436 F483 V485W24-I38 HydrophobicContact CB-CD1 4.16Å; W24-I38 HydrophobicContact CG-CD1 4.19Å; W24-I38 HydrophobicContact CG-CG2 4.36Å; P25-I38 HydrophobicContact CG-CD1 4.08Å; I38-L436 HydrophobicContact CD1-CD1 4.28Å; I38-F483 HydrophobicContact CB-CB 4.33Å; I38-F483 HydrophobicContact CG2-CB 4.19Å; I38-F483 HydrophobicContact CG2-CD2 4.24Å; I38-F483 PolarHBondContact O-N 3.24Å; I38-V485 HydrophobicContact CD1-CG2 3.53Å
39G98.4Very high92.3Very high0 Ų033 Ų330%017%0.168CC..EExtended strand (participates in β ladder)trans-150.8163.3177.400000110.4F19 S20 P37 I481 L553F19-G39 CarbonylContact C-O 3.55Å; F19-G39 VanDerWaalsContact CA-O 3.28Å; F19-G39 WeakPolarHBondContact CA-O 3.45Å; F19-G39 WeakPolarHBondContact CD1-O 3.33Å; S20-G39 PolarHBondContact N-O 3.47Å; S20-G39 PolarHBondContact OG-N 3.07Å; S20-G39 VanDerWaalsContact OG-N 3.08Å; S20-G39 PolarHBondContact OG-O 3.34Å; P37-G39 PolarHBondContact O-N 3.45Å; P37-G39 VanDerWaalsContact O-N 3.14Å; G39-I481 CarbonylContact C-O 3.15Å; G39-I481 WeakPolarHBondContact CA-O 3.33Å; G39-L553 WeakPolarHBondContact O-CD1 3.45Å
40C98.8Very high91.9Very high0 Ų032.2 Ų32.20%016%0.164CC..EExtended strand (participates in β ladder)trans-135.4148.817266.90000112.2I17 R18 F19 A480 I481I17-C40 HydrophobicContact CG2-CB 4.02Å; R18-C40 CarbonylContact O-C 3.51Å; R18-C40 WeakPolarHBondContact O-CA 3.32Å; R18-C40 WeakPolarHBondContact O-CB 3.28Å; F19-C40 HydrophobicContact CD1-CB 3.62Å; F19-C40 HydrophobicContact CD2-CB 4.07Å; F19-C40 HydrophobicContact CE1-CB 3.64Å; F19-C40 HydrophobicContact CE2-CB 4.12Å; F19-C40 HydrophobicContact CG-CB 3.83Å; F19-C40 HydrophobicContact CZ-CB 3.89Å; C40-A480 CarbonylContact O-C 3.56Å; C40-A480 WeakPolarHBondContact O-CA 3.41Å; C40-I481 PolarHBondContact N-O 2.86Å; C40-I481 PolarHBondContact O-N 3.37Å
41L98.7Very high91.4Very high4 Ų433.2 Ų33.22%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-86.7120.8160.1-59172.7000107.3I17 R18 T478 L479 A480 A549 V552 L553 C640I17-L41 WeakPolarHBondContact CA-O 3.27Å; R18-L41 HydrophobicContact CB-CB 4.47Å; R18-L41 PolarHBondContact N-O 3.28Å; R18-L41 PolarHBondContact O-N 2.93Å; L41-T478 HydrophobicContact CB-CG2 3.72Å; L41-L479 CarbonylContact C-O 3.53Å; L41-L479 WeakPolarHBondContact CA-O 3.45Å; L41-A480 HydrophobicContact CD2-CB 4.1Å; L41-A549 HydrophobicContact CD1-CB 4.36Å; L41-V552 HydrophobicContact CD1-CB 3.89Å; L41-V552 HydrophobicContact CD1-CG1 3.87Å; L41-V552 HydrophobicContact CD1-CG2 4.42Å; L41-V552 HydrophobicContact CD2-CB 4.41Å; L41-V552 HydrophobicContact CD2-CG1 3.78Å; L41-V552 HydrophobicContact CG-CG1 4.46Å; L41-L553 HydrophobicContact CD2-CD2 4.01Å; L41-L553 HydrophobicContact CD2-CG 4.24Å; L41-L553 HydrophobicContact CG-CD2 4.41Å; L41-L553 HydrophobicContact CG-CG 4.35Å; L41-C640 HydrophobicContact CD1-CB 3.55Å
42Y98.4Very high91Very high1 Ų134.1 Ų34.10%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-120.6111.3179.3176.4-134.2000111.5G16 I17 L44 M428 T478 L479 I481 F509 T525G16-Y42 WeakPolarHBondContact O-CA 3.41Å; I17-Y42 HydrophobicContact CD1-CD2 3.74Å; I17-Y42 HydrophobicContact CD1-CE2 4Å; I17-Y42 HydrophobicContact CG1-CD2 3.34Å; I17-Y42 HydrophobicContact CG1-CE2 3.98Å; I17-Y42 HydrophobicContact CG1-CG 4.2Å; Y42-L44 HydrophobicContact CD1-CD2 3.84Å; Y42-L44 HydrophobicContact CE1-CD2 3.69Å; Y42-L44 PolarHBondContact O-N 2.8Å; Y42-M428 HydrophobicContact CD1-SD 3.78Å; Y42-M428 HydrophobicContact CE1-SD 3.73Å; Y42-T478 CarbonylContact O-C 3.56Å; Y42-T478 WeakPolarHBondContact O-CA 3.48Å; Y42-L479 PolarHBondContact N-O 2.89Å; Y42-L479 PolarHBondContact O-N 3.18Å; Y42-I481 HydrophobicContact CD1-CD1 4.24Å; Y42-F509 HydrophobicContact CD1-CB 4.2Å; Y42-F509 AromaticContact CD1-CD1 3.57Å; Y42-F509 HydrophobicContact CD1-CD1 3.57Å; Y42-F509 HydrophobicContact CD1-CE1 4.14Å; Y42-F509 AromaticContact CD1-CG 3.84Å; Y42-F509 HydrophobicContact CD1-CG 3.84Å; Y42-F509 HydrophobicContact CE1-CB 3.48Å; Y42-F509 VanDerWaalsContact CE1-CB 3.48Å; Y42-F509 AromaticContact CE1-CD1 3.77Å; Y42-F509 HydrophobicContact CE1-CD1 3.77Å; Y42-F509 HydrophobicContact CE1-CD2 4.42Å; Y42-F509 AromaticContact CE1-CG 3.63Å; Y42-F509 HydrophobicContact CE1-CG 3.63Å; Y42-F509 HydrophobicContact CE2-CD2 4.45Å; Y42-F509 HydrophobicContact CE2-CG 4.41Å; Y42-F509 HydrophobicContact CG-CD1 4.16Å; Y42-F509 HydrophobicContact CG-CE1 4.36Å; Y42-F509 HydrophobicContact CG-CG 4.32Å; Y42-F509 AromaticContact CZ-CG 3.92Å; Y42-T525 HydrophobicContact CE2-CG2 4.17Å; Y42-T525 PolarHBondContact OH-OG1 2.94Å; Y42-T525 VanDerWaalsContact OH-OG1 3.11Å
43T97.5Very high90.5Very high7 Ų736 Ų364%0.04318%0.18CC..EExtended strand (participates in β ladder)trans-82.796.5175.5-510000110.1G16 F45 K46 P475 T478G16-T43 PolarHBondContact O-N 3.49Å; T43-F45 VanDerWaalsContact C-N 3.26Å; T43-F45 PolarHBondContact O-N 3.22Å; T43-F45 VanDerWaalsContact O-N 3.14Å; T43-K46 HydrophobicContact CG2-CB 4.12Å; T43-K46 HydrophobicContact CG2-CD 4.25Å; T43-K46 PolarHBondContact O-N 3.07Å; T43-P475 WeakPolarHBondContact CG2-O 3.4Å; T43-T478 PolarHBondContact OG1-OG1 3.04Å
44L89.5Confident90.4Very high2 Ų232.4 Ų32.41%0.0116%0.163CC..THydrogen-bonded Turntrans-50.6-43.8-171-64.4165.1000113.7Y42 M428 L470 F473 T477 L479 R523Y42-L44 HydrophobicContact CD1-CD2 3.84Å; Y42-L44 HydrophobicContact CE1-CD2 3.69Å; Y42-L44 PolarHBondContact O-N 2.8Å; L44-M428 HydrophobicContact CD2-SD 3.63Å; L44-L470 HydrophobicContact CD1-CD1 3.72Å; L44-L470 HydrophobicContact CD1-CD2 4.09Å; L44-L470 HydrophobicContact CD1-CG 4.39Å; L44-L470 HydrophobicContact CD2-CD1 3.59Å; L44-L470 HydrophobicContact CG-CD1 4.27Å; L44-F473 HydrophobicContact CB-CD2 4.17Å; L44-F473 HydrophobicContact CB-CE2 4.43Å; L44-F473 HydrophobicContact CD1-CB 4.06Å; L44-F473 HydrophobicContact CD1-CD2 4.31Å; L44-F473 HydrophobicContact CD1-CG 4.07Å; L44-T477 HydrophobicContact CD1-CG2 4.06Å; L44-T477 PolarHBondContact N-O 3.34Å; L44-L479 HydrophobicContact CD1-CD1 4.02Å; L44-L479 HydrophobicContact CD1-CG 4.09Å; L44-L479 HydrophobicContact CD2-CD1 3.92Å; L44-L479 HydrophobicContact CD2-CG 4.46Å; L44-L479 HydrophobicContact CG-CD1 4.21Å; L44-L479 HydrophobicContact CG-CG 4.28Å; L44-R523 VanDerWaalsContact O-CD 3.3Å; L44-R523 WeakPolarHBondContact O-CD 3.3Å; L44-R523 PolarHBondContact O-NH1 3.46Å
45F84.9Confident90.1Very high7 Ų737 Ų373%0.03119%0.188CC..THydrogen-bonded Turntrans-121.536.2-169.1-169.2-126.5000111.7T43 E47 F473 P475 Y513T43-F45 VanDerWaalsContact C-N 3.26Å; T43-F45 PolarHBondContact O-N 3.22Å; T43-F45 VanDerWaalsContact O-N 3.14Å; F45-E47 PolarHBondContact O-N 3.12Å; F45-E47 VanDerWaalsContact O-N 3.16Å; F45-F473 HydrophobicContact CB-CD2 3.75Å; F45-F473 HydrophobicContact CB-CE2 3.81Å; F45-F473 HydrophobicContact CG-CD2 4.41Å; F45-F473 HydrophobicContact CG-CE2 4.23Å; F45-P475 HydrophobicContact CD1-CB 4.36Å; F45-P475 HydrophobicContact CD1-CG 3.68Å; F45-P475 HydrophobicContact CE1-CG 3.9Å; F45-P475 WeakPolarHBondContact O-CA 3.32Å; F45-Y513 HydrophobicContact CD2-CE2 4.18Å; F45-Y513 HydrophobicContact CE2-CE2 4.05Å; F45-Y513 VanDerWaalsContact CE2-OH 3.32Å; F45-Y513 WeakPolarHBondContact CE2-OH 3.27Å
46K89.4Confident89.8Confident62 Ų6239.9 Ų39.927%0.2720%0.196SC..  trans-49.9125.1173.2-17169.4173.5-174.90109.9T43 R48 R523T43-K46 HydrophobicContact CG2-CB 4.12Å; T43-K46 HydrophobicContact CG2-CD 4.25Å; T43-K46 PolarHBondContact O-N 3.07Å; K46-R48 PolarHBondContact O-N 3.31Å; K46-R523 PolarHBondContact O-NH1 2.73Å; K46-R523 PolarHBondContact O-NH2 2.78Å
47E83.8Confident89.4Confident70 Ų7043.4 Ų43.433%0.32722%0.215SC..  trans-68.5127.5179.7-81.1179.9-168.700110.4F45 Y49 L421 P475F45-E47 PolarHBondContact O-N 3.12Å; F45-E47 VanDerWaalsContact O-N 3.16Å; E47-Y49 HydrophobicContact CB-CE2 4.38Å; E47-Y49 PolarHBondContact OE2-OH 2.73Å; E47-L421 WeakPolarHBondContact OE1-CD1 2.96Å; E47-L421 WeakPolarHBondContact OE1-CD2 3.17Å; E47-P475 HydrophobicContact CG-CB 4.06Å; E47-P475 HydrophobicContact CG-CG 4.07Å; E47-P475 WeakPolarHBondContact OE1-CG 3.32Å
48R83Confident89.2Confident33 Ų3342.7 Ų42.713%0.12521%0.21CC..  trans-142.6128.9174.6-80.9-168.364.11755.7108.6N14 K46 D50 F51N14-R48 WeakPolarHBondContact O-CD 3.29Å; N14-R48 PolarHBondContact O-NH1 2.71Å; K46-R48 PolarHBondContact O-N 3.31Å; R48-D50 IonicContact CZ-OD1 3.72Å; R48-D50 IonicContact CZ-OD2 2.92Å; R48-D50 IonicContact NE-OD1 2.93Å; R48-D50 PolarHBondContact NE-OD1 3.1Å; R48-D50 IonicContact NE-OD2 2.86Å; R48-D50 VanDerWaalsContact NH2-CG 3.34Å; R48-D50 IonicContact NH2-OD1 3.53Å; R48-D50 PolarHBondContact NH2-OD1 3.29Å; R48-D50 IonicContact NH2-OD2 3.94Å; R48-D50 PolarHBondContact NH2-OD2 3.15Å; R48-F51 HydrophobicContact CB-CD2 3.97Å; R48-F51 HydrophobicContact CB-CE1 4.26Å; R48-F51 HydrophobicContact CB-CE2 3.48Å; R48-F51 VanDerWaalsContact CB-CE2 3.48Å; R48-F51 HydrophobicContact CB-CZ 3.64Å; R48-F51 HydrophobicContact CG-CE2 4.41Å; R48-F51 HydrophobicContact CG-CZ 4.14Å
49Y77.5Confident89.1Confident165 Ų16543 Ų4365%0.64721%0.212SC*.SBendtrans-101.6-3.3-176.1-60.8-78.2000112.5E47 A416E47-Y49 HydrophobicContact CB-CE2 4.38Å; E47-Y49 PolarHBondContact OE2-OH 2.73Å; Y49-A416 HydrophobicContact CE1-CB 4.41Å
50D82Confident89Confident92 Ų9244.6 Ų44.649%0.49222%0.22SC..  trans-1003.8-174.367.9-40.7000113.7R48R48-D50 IonicContact CZ-OD1 3.72Å; R48-D50 IonicContact CZ-OD2 2.92Å; R48-D50 IonicContact NE-OD1 2.93Å; R48-D50 PolarHBondContact NE-OD1 3.1Å; R48-D50 IonicContact NE-OD2 2.86Å; R48-D50 VanDerWaalsContact NH2-CG 3.34Å; R48-D50 IonicContact NH2-OD1 3.53Å; R48-D50 PolarHBondContact NH2-OD1 3.29Å; R48-D50 IonicContact NH2-OD2 3.94Å; R48-D50 PolarHBondContact NH2-OD2 3.15Å
51F80.3Confident88.9Confident34 Ų3444.6 Ų44.615%0.14922%0.22CC..  trans-66.3131.4176.1-67.4-45.3000111.4R48 T114 E116R48-F51 HydrophobicContact CB-CD2 3.97Å; R48-F51 HydrophobicContact CB-CE1 4.26Å; R48-F51 HydrophobicContact CB-CE2 3.48Å; R48-F51 VanDerWaalsContact CB-CE2 3.48Å; R48-F51 HydrophobicContact CB-CZ 3.64Å; R48-F51 HydrophobicContact CG-CE2 4.41Å; R48-F51 HydrophobicContact CG-CZ 4.14Å; F51-T114 HydrophobicContact CE1-CG2 3.95Å; F51-T114 VanDerWaalsContact CE1-O 3.23Å; F51-T114 WeakPolarHBondContact CE1-O 3.47Å; F51-T114 HydrophobicContact CZ-CG2 3.64Å; F51-E116 HydrophobicContact CD2-CB 4.32Å
52P84Confident88.8Confident37 Ų3748.6 Ų48.624%0.2425%0.248CC..  trans-66.6146.6169.528.8-33.2000109.7I54 A106 F112 L115P52-I54 HydrophobicContact CG-CD1 4.35Å; P52-I54 HydrophobicContact CG-CG1 4.33Å; P52-I54 PolarHBondContact O-N 2.83Å; P52-A106 HydrophobicContact CG-CB 4.06Å; P52-F112 HydrophobicContact CG-CD2 4.42Å; P52-F112 HydrophobicContact CG-CE1 4.32Å; P52-F112 HydrophobicContact CG-CE2 3.93Å; P52-F112 HydrophobicContact CG-CZ 3.89Å; P52-L115 HydrophobicContact CG-CD2 4.3Å
53P82.1Confident88.6Confident112 Ų11257 Ų5773%0.72728%0.279SS*.  trans-68106.417527.8-33.4000110.1
54I89.7Confident88.5Confident3 Ų358 Ų582%0.01529%0.287CS..BIsolated β-bridgetrans-102103.7176.8-63.3174.2000109.2P52 Y56 A106 L115 Y117 T118P52-I54 HydrophobicContact CG-CD1 4.35Å; P52-I54 HydrophobicContact CG-CG1 4.33Å; P52-I54 PolarHBondContact O-N 2.83Å; I54-Y56 HydrophobicContact CG2-CD1 4.2Å; I54-Y56 HydrophobicContact CG2-CD2 4.01Å; I54-Y56 HydrophobicContact CG2-CE1 3.85Å; I54-Y56 HydrophobicContact CG2-CE2 3.62Å; I54-Y56 HydrophobicContact CG2-CG 4.28Å; I54-A106 HydrophobicContact CD1-CB 4.02Å; I54-L115 HydrophobicContact CD1-CB 4.13Å; I54-L115 HydrophobicContact CD1-CD1 3.81Å; I54-L115 HydrophobicContact CD1-CD2 3.59Å; I54-L115 HydrophobicContact CD1-CG 4.05Å; I54-Y117 HydrophobicContact CB-CD1 4.34Å; I54-Y117 HydrophobicContact CG2-CD1 3.23Å; I54-Y117 HydrophobicContact CG2-CE1 3.67Å; I54-Y117 HydrophobicContact CG2-CG 3.9Å; I54-T118 PolarHBondContact O-N 3.49Å
55N88.5Confident88.8Confident98 Ų9860.2 Ų60.252%0.52430%0.295SS..  trans-113.631.6-175.7-62-38.8000112.8T118N55-T118 VanDerWaalsContact OD1-CB 3.23Å; N55-T118 WeakPolarHBondContact OD1-CB 3.39Å; N55-T118 PolarHBondContact OD1-OG1 3.48Å; N55-T118 VanDerWaalsContact OD1-OG1 3.07Å
56Y87.1Confident89.4Confident84 Ų8459.9 Ų59.933%0.32929%0.294SS..SBendtrans-131.8165178.251.6-99.9000110.1I54 E107 Y117I54-Y56 HydrophobicContact CG2-CD1 4.2Å; I54-Y56 HydrophobicContact CG2-CD2 4.01Å; I54-Y56 HydrophobicContact CG2-CE1 3.85Å; I54-Y56 HydrophobicContact CG2-CE2 3.62Å; I54-Y56 HydrophobicContact CG2-CG 4.28Å; Y56-E107 VanDerWaalsContact CE2-OE1 3.31Å; Y56-E107 WeakPolarHBondContact CE2-OE1 2.96Å; Y56-E107 PolarHBondContact OH-OE2 2.83Å; Y56-Y117 HydrophobicContact CE2-CE1 4.41Å
57D89.1Confident89.7Confident77 Ų7757 Ų5741%0.41228%0.281SS..PPolyproline II helixtrans-72.2139.7-176.9-63.9-38000111.6Y232D57-Y232 PolarHBondContact OD1-OH 2.95Å
58P93.4Very high90.4Very high8 Ų853.8 Ų53.85%0.05227%0.266CS..PPolyproline II helixtrans-66152.3177.629.5-38.6000112.3F60 I67 Y117 Y232 L522P58-F60 HydrophobicContact CB-CE2 4.4Å; P58-F60 HydrophobicContact CB-CZ 4.28Å; P58-F60 HydrophobicContact CG-CE1 4.39Å; P58-F60 HydrophobicContact CG-CE2 3.6Å; P58-F60 HydrophobicContact CG-CZ 3.43Å; P58-F60 VanDerWaalsContact CG-CZ 3.43Å; P58-F60 WeakPolarHBondContact O-CD2 3.45Å; P58-F60 VanDerWaalsContact O-CE2 3.31Å; P58-F60 WeakPolarHBondContact O-CE2 3.29Å; P58-I67 HydrophobicContact CB-CD1 4.34Å; P58-I67 HydrophobicContact CB-CG1 4.45Å; P58-I67 HydrophobicContact CB-CG2 3.83Å; P58-Y117 HydrophobicContact CB-CD1 3.94Å; P58-Y117 HydrophobicContact CB-CE1 3.67Å; P58-Y117 HydrophobicContact CB-CE2 4.34Å; P58-Y117 HydrophobicContact CB-CG 4.42Å; P58-Y232 HydrophobicContact CG-CE1 4.32Å; P58-L522 HydrophobicContact CB-CD2 4.31Å; P58-L522 HydrophobicContact CG-CD2 3.65Å
59V95.1Very high91Very high7 Ų752.4 Ų52.44%0.04226%0.261CS..PPolyproline II helixtrans-88117.8177.4-175.40000110.7I67 L68 W81 P93 Y96V59-I67 CarbonylContact O-C 3.48Å; V59-I67 WeakPolarHBondContact O-CA 3.3Å; V59-L68 HydrophobicContact CB-CB 3.82Å; V59-L68 HydrophobicContact CB-CD2 4.09Å; V59-L68 HydrophobicContact CG1-CB 4.32Å; V59-L68 HydrophobicContact CG1-CD2 4.41Å; V59-L68 HydrophobicContact CG2-CD2 4.22Å; V59-L68 PolarHBondContact O-N 2.79Å; V59-W81 HydrophobicContact CG1-CZ2 3.97Å; V59-P93 HydrophobicContact CG1-CG 3.92Å; V59-P93 HydrophobicContact CG2-CG 4.02Å; V59-Y96 HydrophobicContact CG2-CD2 4.41Å; V59-Y96 HydrophobicContact CG2-CE2 3.39Å; V59-Y96 WeakPolarHBondContact CG2-OH 3.44Å
60F96Very high91.9Very high34 Ų3445.9 Ų45.915%0.14924%0.239CC..BIsolated β-bridgetrans-95.6144.8-179-64-82.4000113.1P58 G66 I67 Y232P58-F60 HydrophobicContact CB-CE2 4.4Å; P58-F60 HydrophobicContact CB-CZ 4.28Å; P58-F60 HydrophobicContact CG-CE1 4.39Å; P58-F60 HydrophobicContact CG-CE2 3.6Å; P58-F60 HydrophobicContact CG-CZ 3.43Å; P58-F60 VanDerWaalsContact CG-CZ 3.43Å; P58-F60 WeakPolarHBondContact O-CD2 3.45Å; P58-F60 VanDerWaalsContact O-CE2 3.31Å; P58-F60 WeakPolarHBondContact O-CE2 3.29Å; F60-G66 CarbonylContact C-O 3.53Å; F60-I67 HydrophobicContact CD1-CG1 3.83Å; F60-I67 HydrophobicContact CE1-CD1 3.87Å; F60-I67 HydrophobicContact CE1-CG1 3.56Å; F60-I67 HydrophobicContact CZ-CD1 4.4Å; F60-I67 HydrophobicContact CZ-CG1 4.34Å; F60-Y232 HydrophobicContact CE1-CD1 4.12Å; F60-Y232 AromaticContact CE2-CD1 3.48Å; F60-Y232 HydrophobicContact CE2-CD1 3.48Å; F60-Y232 VanDerWaalsContact CE2-CD1 3.48Å; F60-Y232 AromaticContact CE2-CE1 3.66Å; F60-Y232 HydrophobicContact CE2-CE1 3.66Å; F60-Y232 AromaticContact CZ-CD1 3.08Å; F60-Y232 HydrophobicContact CZ-CD1 3.08Å; F60-Y232 AromaticContact CZ-CE1 3.69Å; F60-Y232 HydrophobicContact CZ-CE1 3.69Å; F60-Y232 AromaticContact CZ-CG 3.74Å; F60-Y232 HydrophobicContact CZ-CG 3.74Å
61C97.2Very high92.6Very high0 Ų044.1 Ų44.10%023%0.226CC..PPolyproline II helixtrans-67.3129.6161.7177.60000109.6R63 R65 G66 W81 C83 C86 N90C61-R63 PolarHBondContact O-N 3.46Å; C61-R63 VanDerWaalsContact O-N 3.15Å; C61-R65 VanDerWaalsContact O-CA 3.27Å; C61-R65 WeakPolarHBondContact O-CA 3.46Å; C61-R65 PolarHBondContact O-N 3.13Å; C61-R65 VanDerWaalsContact O-N 3.1Å; C61-G66 WeakPolarHBondContact CB-O 3.15Å; C61-G66 PolarHBondContact N-O 2.62Å; C61-W81 HydrophobicContact CB-CH2 3.76Å; C61-W81 HydrophobicContact CB-CZ3 4.47Å; C61-C83 HydrophobicContact CB-CB 3.93Å; C61-C83 VanDerWaalsContact SG-CB 3.57Å; C61-C86 PolarHBondContact SG-SG 3.39Å; C61-N90 PolarHBondContact SG-ND2 3.21Å
62S96.3Very high93.3Very high88 Ų8842.6 Ų42.662%0.61522%0.219SC*.THydrogen-bonded Turntrans-58.4-25.2178.356.30000114.2N90S62-N90 VanDerWaalsContact CB-OD1 3.3Å; S62-N90 WeakPolarHBondContact CB-OD1 3.49Å; S62-N90 PolarHBondContact N-OD1 2.94Å; S62-N90 PolarHBondContact OG-OD1 2.71Å
63R95.1Very high93.8Very high176 Ų17644.1 Ų44.166%0.66423%0.229SC*.THydrogen-bonded Turntrans-100.3-62.7-176.3-169.2178.1-162.1174.77114C61 T88C61-R63 PolarHBondContact O-N 3.46Å; C61-R63 VanDerWaalsContact O-N 3.15Å; R63-T88 HydrophobicContact CB-CG2 3.97Å; R63-T88 WeakPolarHBondContact CB-OG1 3.42Å; R63-T88 WeakPolarHBondContact CD-OG1 3.41Å
64C94.9Very high94.4Very high30 Ų3042.4 Ų42.420%0.20321%0.21CC..THydrogen-bonded Turntrans-91.5-3.2-174.670.40000113.8G66 C86 K431C64-G66 PolarHBondContact O-N 2.85Å; C64-G66 PolarHBondContact SG-N 3.01Å; C64-C86 HydrophobicContact CB-CB 3.89Å; C64-C86 PolarHBondContact SG-SG 3.3Å; C64-K431 PolarHBondContact O-NZ 2.98Å
65R95.6Very high94.6Very high48 Ų4845.1 Ų45.118%0.18123%0.225CC..  trans54.621.9-172.5-58.5-66.9-64.9-158-2.3113.7C61 E235 K431C61-R65 VanDerWaalsContact O-CA 3.27Å; C61-R65 WeakPolarHBondContact O-CA 3.46Å; C61-R65 PolarHBondContact O-N 3.13Å; C61-R65 VanDerWaalsContact O-N 3.1Å; R65-E235 IonicContact CZ-OE1 3.2Å; R65-E235 IonicContact NH1-OE1 3.97Å; R65-E235 PolarHBondContact NH1-OE1 3.27Å; R65-K431 VanDerWaalsContact O-CE 3.26Å; R65-K431 WeakPolarHBondContact O-CE 3.33Å
66G96.7Very high94.8Very high0 Ų042.6 Ų42.60%021%0.211CC..PPolyproline II helixtrans-65.8148.6166.700000110.9F60 C61 C64F60-G66 CarbonylContact C-O 3.53Å; C61-G66 WeakPolarHBondContact CB-O 3.15Å; C61-G66 PolarHBondContact N-O 2.62Å; C64-G66 PolarHBondContact O-N 2.85Å; C64-G66 PolarHBondContact SG-N 3.01Å
67I97.3Very high95Very high1 Ų149 Ų491%0.00523%0.234CC..BIsolated β-bridgetrans-93.2141.9-176.3-64.1168.8000109.8P58 V59 F60 N69 Q508 V510 L522 V524P58-I67 HydrophobicContact CB-CD1 4.34Å; P58-I67 HydrophobicContact CB-CG1 4.45Å; P58-I67 HydrophobicContact CB-CG2 3.83Å; V59-I67 CarbonylContact O-C 3.48Å; V59-I67 WeakPolarHBondContact O-CA 3.3Å; F60-I67 HydrophobicContact CD1-CG1 3.83Å; F60-I67 HydrophobicContact CE1-CD1 3.87Å; F60-I67 HydrophobicContact CE1-CG1 3.56Å; F60-I67 HydrophobicContact CZ-CD1 4.4Å; F60-I67 HydrophobicContact CZ-CG1 4.34Å; I67-N69 PolarHBondContact O-ND2 3.4Å; I67-Q508 PolarHBondContact O-NE2 3.42Å; I67-V510 HydrophobicContact CD1-CG1 3.8Å; I67-V510 HydrophobicContact CD1-CG2 4.14Å; I67-L522 HydrophobicContact CD1-CD2 3.77Å; I67-V524 HydrophobicContact CB-CG1 4.13Å; I67-V524 HydrophobicContact CB-CG2 4.45Å; I67-V524 HydrophobicContact CD1-CG1 4.38Å; I67-V524 HydrophobicContact CD1-CG2 3.46Å; I67-V524 VanDerWaalsContact CD1-CG2 3.46Å; I67-V524 HydrophobicContact CG2-CG1 4.3Å; I67-V524 HydrophobicContact CG2-CG2 4.26Å
68L97.4Very high95.2Very high2 Ų247.9 Ų47.91%0.0123%0.231CC..PPolyproline II helixtrans-52.3136.8174.5-175.868.3000110.8V59 C72 W81 F92 E107 L108V59-L68 HydrophobicContact CB-CB 3.82Å; V59-L68 HydrophobicContact CB-CD2 4.09Å; V59-L68 HydrophobicContact CG1-CB 4.32Å; V59-L68 HydrophobicContact CG1-CD2 4.41Å; V59-L68 HydrophobicContact CG2-CD2 4.22Å; V59-L68 PolarHBondContact O-N 2.79Å; L68-C72 HydrophobicContact CD1-CB 3.95Å; L68-W81 HydrophobicContact CD1-CB 4.35Å; L68-W81 HydrophobicContact CD1-CD2 3.59Å; L68-W81 HydrophobicContact CD1-CE3 3.63Å; L68-W81 HydrophobicContact CD1-CG 3.91Å; L68-W81 HydrophobicContact CD1-CH2 4.47Å; L68-W81 HydrophobicContact CD1-CZ2 4.48Å; L68-W81 HydrophobicContact CD1-CZ3 4.07Å; L68-F92 HydrophobicContact CD1-CE1 4.37Å; L68-F92 HydrophobicContact CD2-CE1 3.87Å; L68-E107 HydrophobicContact CB-CB 4.47Å; L68-E107 HydrophobicContact CD2-CB 3.99Å; L68-E107 HydrophobicContact CG-CB 4.07Å; L68-L108 HydrophobicContact CD1-CD2 3.88Å; L68-L108 HydrophobicContact CD2-CD2 4.26Å; L68-L108 HydrophobicContact CD2-CG 4.33Å; L68-L108 HydrophobicContact CG-CD2 4.06Å
69N96.7Very high95.2Very high4 Ų453.9 Ų53.92%0.02125%0.252CS..  trans-155.5169.7-175.76480.3000109.7I67 Y71 C72 C84 E107 Q508 T526I67-N69 PolarHBondContact O-ND2 3.4Å; N69-Y71 PolarHBondContact O-N 3.41Å; N69-Y71 VanDerWaalsContact OD1-CB 3.32Å; N69-Y71 WeakPolarHBondContact OD1-CB 3.17Å; N69-Y71 WeakPolarHBondContact OD1-CD2 3.09Å; N69-Y71 PolarHBondContact OD1-N 2.81Å; N69-C72 WeakPolarHBondContact O-CB 3.35Å; N69-C72 PolarHBondContact O-N 3.23Å; N69-C84 PolarHBondContact ND2-SG 2.82Å; N69-E107 CarbonylContact C-O 3.54Å; N69-E107 VanDerWaalsContact CA-O 3.23Å; N69-E107 WeakPolarHBondContact CA-O 3.45Å; N69-Q508 PolarHBondContact ND2-NE2 3.18Å; N69-T526 HydrophobicContact CB-CG2 4.37Å
70P95.9Very high95.3Very high28 Ų2854.2 Ų54.218%0.18226%0.255CS..THydrogen-bonded Turntrans-64.8-15.5-172.4-25.236000114.8E107 M109 F112P70-E107 WeakPolarHBondContact CD-O 3.43Å; P70-E107 WeakPolarHBondContact CG-O 3.28Å; P70-M109 WeakPolarHBondContact CG-O 3.45Å; P70-F112 WeakPolarHBondContact CG-O 3.09Å
71Y96.1Very high95.3Very high56 Ų5652.7 Ų52.722%0.2225%0.248CC..THydrogen-bonded Turntrans-86.7-7.2178.4-52.4-67.4000113.9N69 P73 T113 Y506 T526 C528N69-Y71 PolarHBondContact O-N 3.41Å; N69-Y71 VanDerWaalsContact OD1-CB 3.32Å; N69-Y71 WeakPolarHBondContact OD1-CB 3.17Å; N69-Y71 WeakPolarHBondContact OD1-CD2 3.09Å; N69-Y71 PolarHBondContact OD1-N 2.81Å; Y71-P73 VanDerWaalsContact O-CD 3.29Å; Y71-P73 WeakPolarHBondContact O-CD 3.13Å; Y71-T113 HydrophobicContact CE2-CG2 4.06Å; Y71-T113 VanDerWaalsContact OH-CG2 3.27Å; Y71-T113 WeakPolarHBondContact OH-CG2 3.47Å; Y71-Y506 HydrophobicContact CD1-CE1 4.34Å; Y71-Y506 HydrophobicContact CD2-CD1 4.41Å; Y71-Y506 HydrophobicContact CD2-CE1 4.48Å; Y71-Y506 HydrophobicContact CG-CD1 4.28Å; Y71-Y506 AromaticContact CG-CE1 3.9Å; Y71-Y506 HydrophobicContact CG-CE1 3.9Å; Y71-T526 HydrophobicContact CD2-CG2 3.7Å; Y71-T526 HydrophobicContact CE2-CG2 4.06Å; Y71-T526 WeakPolarHBondContact CE2-O 3.44Å; Y71-C528 HydrophobicContact CE1-CB 4.4Å; Y71-C528 WeakPolarHBondContact CE1-SG 3.34Å
72C95.9Very high95.3Very high2 Ų254.8 Ų54.81%0.01426%0.261CS..SBendtrans-76.7116.9175.8-71.70000110.3L68 N69 F74 W81 T82L68-C72 HydrophobicContact CD1-CB 3.95Å; N69-C72 WeakPolarHBondContact O-CB 3.35Å; N69-C72 PolarHBondContact O-N 3.23Å; C72-F74 PolarHBondContact O-N 2.89Å; C72-W81 HydrophobicContact CB-CE3 3.87Å; C72-W81 HydrophobicContact CB-CZ3 4.36Å; C72-T82 WeakPolarHBondContact CA-O 3.44Å; C72-T82 WeakPolarHBondContact CB-O 3.44Å
73P94.6Very high95.3Very high69 Ų6950.6 Ų50.645%0.44823%0.232SC..  trans-61138.8172.3-21.133.9000110.4Y71 W81 T82Y71-P73 VanDerWaalsContact O-CD 3.29Å; Y71-P73 WeakPolarHBondContact O-CD 3.13Å; P73-W81 CarbonylContact O-C 3.6Å; P73-W81 VanDerWaalsContact O-CA 3.28Å; P73-W81 WeakPolarHBondContact O-CA 3.36Å; P73-T82 WeakPolarHBondContact CD-O 3.41Å; P73-T82 PolarHBondContact O-N 3.03Å
74F94.4Very high95.3Very high75 Ų7542.5 Ų42.533%0.32920%0.202SC..EExtended strand (participates in β ladder)trans-136.9153.9-179.366.2-86.5000112.2C72 I76 T80 W81 F92 M99 L104 L108C72-F74 PolarHBondContact O-N 2.89Å; F74-I76 HydrophobicContact CD2-CG1 4.05Å; F74-I76 HydrophobicContact CE2-CD1 4.1Å; F74-I76 HydrophobicContact CE2-CG1 3.91Å; F74-T80 WeakPolarHBondContact CA-O 3.49Å; F74-W81 HydrophobicContact CB-CB 3.98Å; F74-F92 HydrophobicContact CB-CE2 3.92Å; F74-F92 HydrophobicContact CB-CZ 3.67Å; F74-F92 HydrophobicContact CG-CZ 4.36Å; F74-M99 HydrophobicContact CD2-CE 4.45Å; F74-L104 HydrophobicContact CE2-CD2 3.64Å; F74-L104 HydrophobicContact CZ-CD1 4.12Å; F74-L104 HydrophobicContact CZ-CD2 3.66Å; F74-L108 HydrophobicContact CD1-CD1 3.93Å; F74-L108 HydrophobicContact CD1-CD2 3.89Å; F74-L108 HydrophobicContact CD1-CG 4.42Å; F74-L108 HydrophobicContact CD2-CD1 4.13Å; F74-L108 HydrophobicContact CE1-CB 4.36Å; F74-L108 HydrophobicContact CE1-CD1 4.1Å; F74-L108 HydrophobicContact CE1-CD2 4.26Å; F74-L108 HydrophobicContact CE1-CG 4.49Å; F74-L108 HydrophobicContact CE2-CD1 4.29Å; F74-L108 HydrophobicContact CG-CD1 3.96Å; F74-L108 HydrophobicContact CZ-CD1 4.27Å
75D94Very high95.3Very high61 Ų6141.3 Ų41.333%0.32619%0.194SC..EExtended strand (participates in β ladder)trans-128.2113.1175.7174-5.2000108.5R77 T78 R79 T80D75-R77 WeakPolarHBondContact OD1-CA 3.3Å; D75-R77 WeakPolarHBondContact OD1-CB 3.4Å; D75-R77 PolarHBondContact OD1-N 3.33Å; D75-T78 WeakPolarHBondContact CB-OG1 3.33Å; D75-T78 PolarHBondContact OD1-N 2.82Å; D75-T78 VanDerWaalsContact OD1-N 3.16Å; D75-T78 WeakPolarHBondContact OD2-CB 3.45Å; D75-T78 WeakPolarHBondContact OD2-CG2 3.23Å; D75-T78 PolarHBondContact OD2-OG1 3.08Å; D75-R79 WeakPolarHBondContact O-CA 3.46Å; D75-R79 PolarHBondContact O-N 2.8Å; D75-T80 PolarHBondContact N-O 3.5Å; D75-T80 PolarHBondContact O-N 3.35Å; D75-T80 VanDerWaalsContact O-N 3.11Å
76I91.6Very high95.2Very high45 Ų4539.6 Ų39.623%0.23119%0.188CC..THydrogen-bonded Turntrans-65.4-39.2-179.2-64165.5000110.8F74 R79 M99 E101F74-I76 HydrophobicContact CD2-CG1 4.05Å; F74-I76 HydrophobicContact CE2-CD1 4.1Å; F74-I76 HydrophobicContact CE2-CG1 3.91Å; I76-R79 WeakPolarHBondContact O-CG 3.4Å; I76-R79 PolarHBondContact O-N 3.35Å; I76-M99 HydrophobicContact CG1-CE 4.12Å; I76-E101 HydrophobicContact CD1-CB 4.32Å; I76-E101 HydrophobicContact CD1-CG 3.45Å; I76-E101 VanDerWaalsContact CD1-CG 3.45Å
77R91.7Very high95.1Very high217 Ų21742.9 Ų42.982%0.81921%0.206SC*.THydrogen-bonded Turntrans-67-45.7-175.6-175.5-176.867.4139.9-0.2111D75 R79D75-R77 WeakPolarHBondContact OD1-CA 3.3Å; D75-R77 WeakPolarHBondContact OD1-CB 3.4Å; D75-R77 PolarHBondContact OD1-N 3.33Å; R77-R79 VanDerWaalsContact C-N 3.29Å
78T93.5Very high95Very high55 Ų5544 Ų4434%0.33721%0.213SC..THydrogen-bonded Turntrans-83.9-6.7177.360.60000113.1D75 T80 R89D75-T78 WeakPolarHBondContact CB-OG1 3.33Å; D75-T78 PolarHBondContact OD1-N 2.82Å; D75-T78 VanDerWaalsContact OD1-N 3.16Å; D75-T78 WeakPolarHBondContact OD2-CB 3.45Å; D75-T78 WeakPolarHBondContact OD2-CG2 3.23Å; D75-T78 PolarHBondContact OD2-OG1 3.08Å; T78-T80 VanDerWaalsContact C-N 3.27Å; T78-T80 PolarHBondContact O-N 2.84Å; T78-T80 PolarHBondContact OG1-OG1 3.14Å; T78-R89 PolarHBondContact OG1-NH2 2.75Å
79R93.4Very high95Very high133 Ų13351.1 Ų51.150%0.50224%0.24SC..THydrogen-bonded Turntrans5146.9-173.4-62.2-177.7174.5174.7-1.1111.9D75 I76 R77 F92 A97D75-R79 WeakPolarHBondContact O-CA 3.46Å; D75-R79 PolarHBondContact O-N 2.8Å; I76-R79 WeakPolarHBondContact O-CG 3.4Å; I76-R79 PolarHBondContact O-N 3.35Å; R77-R79 VanDerWaalsContact C-N 3.29Å; R79-F92 VanDerWaalsContact C-CD2 3.44Å; R79-F92 PolarHBondContact O-N 2.79Å; R79-A97 PolarHBondContact NH2-O 2.91Å
80T96.1Very high95Very high15 Ų1551.5 Ų51.59%0.09224%0.242CC..EExtended strand (participates in β ladder)trans-129.1157.217859.60000112.3F74 D75 T78 R89 N90 F92F74-T80 WeakPolarHBondContact CA-O 3.49Å; D75-T80 PolarHBondContact N-O 3.5Å; D75-T80 PolarHBondContact O-N 3.35Å; D75-T80 VanDerWaalsContact O-N 3.11Å; T78-T80 VanDerWaalsContact C-N 3.27Å; T78-T80 PolarHBondContact O-N 2.84Å; T78-T80 PolarHBondContact OG1-OG1 3.14Å; T80-R89 PolarHBondContact OG1-NE 3.02Å; T80-R89 PolarHBondContact OG1-NH2 3.26Å; T80-N90 CarbonylContact C-O 3.58Å; T80-N90 WeakPolarHBondContact CA-O 3.36Å; T80-N90 VanDerWaalsContact CB-O 3.22Å; T80-N90 WeakPolarHBondContact CB-O 3.26Å; T80-F92 WeakPolarHBondContact O-CE2 3.46Å
81W96.7Very high95.1Very high1 Ų154.6 Ų54.60%0.00426%0.264CS..EExtended strand (participates in β ladder)trans-138.2152.9172.863.6-82.9000110.7V59 C61 L68 C72 P73 F74 C83 R89 N90 F92V59-W81 HydrophobicContact CG1-CZ2 3.97Å; C61-W81 HydrophobicContact CB-CH2 3.76Å; C61-W81 HydrophobicContact CB-CZ3 4.47Å; L68-W81 HydrophobicContact CD1-CB 4.35Å; L68-W81 HydrophobicContact CD1-CD2 3.59Å; L68-W81 HydrophobicContact CD1-CE3 3.63Å; L68-W81 HydrophobicContact CD1-CG 3.91Å; L68-W81 HydrophobicContact CD1-CH2 4.47Å; L68-W81 HydrophobicContact CD1-CZ2 4.48Å; L68-W81 HydrophobicContact CD1-CZ3 4.07Å; C72-W81 HydrophobicContact CB-CE3 3.87Å; C72-W81 HydrophobicContact CB-CZ3 4.36Å; P73-W81 CarbonylContact O-C 3.6Å; P73-W81 VanDerWaalsContact O-CA 3.28Å; P73-W81 WeakPolarHBondContact O-CA 3.36Å; F74-W81 HydrophobicContact CB-CB 3.98Å; W81-C83 HydrophobicContact CE3-CB 4.3Å; W81-C83 HydrophobicContact CH2-CB 4.25Å; W81-C83 HydrophobicContact CZ3-CB 3.6Å; W81-R89 CarbonylContact O-C 3.58Å; W81-R89 WeakPolarHBondContact O-CA 3.3Å; W81-N90 HydrophobicContact CD2-CB 3.99Å; W81-N90 VanDerWaalsContact CE2-CB 3.44Å; W81-N90 HydrophobicContact CG-CB 4.32Å; W81-N90 HydrophobicContact CZ2-CB 3.75Å; W81-N90 PolarHBondContact N-O 3.36Å; W81-N90 PolarHBondContact O-N 2.77Å; W81-F92 HydrophobicContact CB-CE1 4.17Å; W81-F92 HydrophobicContact CB-CE2 4.05Å; W81-F92 HydrophobicContact CB-CZ 3.65Å; W81-F92 AromaticContact CD1-CD1 3.74Å; W81-F92 AromaticContact CD1-CE1 3.63Å; W81-F92 AromaticContact CD1-CZ 3.89Å; W81-F92 HydrophobicContact CG-CE1 4.06Å; W81-F92 HydrophobicContact CG-CZ 4.05Å
82T96.4Very high95Very high45 Ų4552.9 Ų52.928%0.27626%0.258SS..EExtended strand (participates in β ladder)trans-108.5125.8177.9-610000108.9C72 P73 C84C72-T82 WeakPolarHBondContact CA-O 3.44Å; C72-T82 WeakPolarHBondContact CB-O 3.44Å; P73-T82 WeakPolarHBondContact CD-O 3.41Å; P73-T82 PolarHBondContact O-N 3.03Å; T82-C84 PolarHBondContact O-N 3.5Å
83C96.5Very high94.9Very high0 Ų054.4 Ų54.40%027%0.268CS..  trans-70118.6179.9177.40000111C61 W81 L85 C86 N87 T88C61-C83 HydrophobicContact CB-CB 3.93Å; C61-C83 VanDerWaalsContact SG-CB 3.57Å; W81-C83 HydrophobicContact CE3-CB 4.3Å; W81-C83 HydrophobicContact CH2-CB 4.25Å; W81-C83 HydrophobicContact CZ3-CB 3.6Å; C83-L85 PolarHBondContact O-N 3.24Å; C83-L85 VanDerWaalsContact O-N 3.15Å; C83-C86 PolarHBondContact O-N 3.09Å; C83-N87 VanDerWaalsContact O-CA 3.29Å; C83-N87 WeakPolarHBondContact O-CA 3.19Å; C83-N87 PolarHBondContact O-N 3.17Å; C83-T88 PolarHBondContact N-O 2.99Å
84C95.1Very high94.7Very high6 Ų656.6 Ų56.64%0.04128%0.282CS..THydrogen-bonded Turntrans-59.7-23.517959.10000114.2N69 T82 Y506N69-C84 PolarHBondContact ND2-SG 2.82Å; T82-C84 PolarHBondContact O-N 3.5Å; C84-Y506 HydrophobicContact CB-CD1 4.17Å; C84-Y506 HydrophobicContact CB-CD2 4.18Å; C84-Y506 HydrophobicContact CB-CE1 4.11Å; C84-Y506 HydrophobicContact CB-CE2 4.11Å; C84-Y506 HydrophobicContact CB-CG 4.22Å; C84-Y506 VanDerWaalsContact O-CD2 3.3Å; C84-Y506 WeakPolarHBondContact O-CD2 3.34Å
85L95.7Very high94.4Very high5 Ų558.9 Ų58.93%0.02629%0.294CS..THydrogen-bonded Turntrans-80.9-35.5-179.3-56.5174.2000113.2C83 K431 S433 Q508C83-L85 PolarHBondContact O-N 3.24Å; C83-L85 VanDerWaalsContact O-N 3.15Å; L85-K431 HydrophobicContact CD1-CB 3.95Å; L85-K431 HydrophobicContact CD1-CD 4.33Å; L85-S433 WeakPolarHBondContact O-CA 3.45Å; L85-Q508 HydrophobicContact CD1-CB 4.03Å; L85-Q508 HydrophobicContact CD2-CB 4.29Å
86C94.4Very high94.2Very high11 Ų1157.1 Ų57.17%0.07428%0.283CS..THydrogen-bonded Turntrans-132.6-0-170.672.50000115.4C61 C64 C83 T88C61-C86 PolarHBondContact SG-SG 3.39Å; C64-C86 HydrophobicContact CB-CB 3.89Å; C64-C86 PolarHBondContact SG-SG 3.3Å; C83-C86 PolarHBondContact O-N 3.09Å; C86-T88 PolarHBondContact O-N 3.34Å; C86-T88 PolarHBondContact SG-OG1 2.99Å
87N93.5Very high94Very high69 Ų6957 Ų5737%0.36929%0.289SS..  trans59.220.9-178.5-60.2-29.9000114.9C83 G500C83-N87 VanDerWaalsContact O-CA 3.29Å; C83-N87 WeakPolarHBondContact O-CA 3.19Å; C83-N87 PolarHBondContact O-N 3.17Å; N87-G500 PolarHBondContact ND2-O 3.15Å; N87-G500 PolarHBondContact OD1-O 3.49Å
88T95.5Very high93.7Very high26 Ų2649.5 Ų49.516%0.1628%0.279CS..  trans-81.3131.2174.4-57.50000109.7R63 C83 C86 N90R63-T88 HydrophobicContact CB-CG2 3.97Å; R63-T88 WeakPolarHBondContact CB-OG1 3.42Å; R63-T88 WeakPolarHBondContact CD-OG1 3.41Å; C83-T88 PolarHBondContact N-O 2.99Å; C86-T88 PolarHBondContact O-N 3.34Å; C86-T88 PolarHBondContact SG-OG1 2.99Å; T88-N90 PolarHBondContact O-ND2 3.46Å
89R97Very high93.4Very high151 Ų15147.7 Ų47.757%0.5727%0.267SS*.EExtended strand (participates in β ladder)trans-78.7133.7172.6-168.4178.8-175.9-155.32.9110T78 T80 W81T78-R89 PolarHBondContact OG1-NH2 2.75Å; T80-R89 PolarHBondContact OG1-NE 3.02Å; T80-R89 PolarHBondContact OG1-NH2 3.26Å; W81-R89 CarbonylContact O-C 3.58Å; W81-R89 WeakPolarHBondContact O-CA 3.3Å
90N97.7Very high93.2Very high12 Ų1244.2 Ų44.26%0.06426%0.26CS..EExtended strand (participates in β ladder)trans-129155-178.8-62.9-80.6000109.5C61 S62 T80 W81 T88C61-N90 PolarHBondContact SG-ND2 3.21Å; S62-N90 VanDerWaalsContact CB-OD1 3.3Å; S62-N90 WeakPolarHBondContact CB-OD1 3.49Å; S62-N90 PolarHBondContact N-OD1 2.94Å; S62-N90 PolarHBondContact OG-OD1 2.71Å; T80-N90 CarbonylContact C-O 3.58Å; T80-N90 WeakPolarHBondContact CA-O 3.36Å; T80-N90 VanDerWaalsContact CB-O 3.22Å; T80-N90 WeakPolarHBondContact CB-O 3.26Å; W81-N90 HydrophobicContact CD2-CB 3.99Å; W81-N90 VanDerWaalsContact CE2-CB 3.44Å; W81-N90 HydrophobicContact CG-CB 4.32Å; W81-N90 HydrophobicContact CZ2-CB 3.75Å; W81-N90 PolarHBondContact N-O 3.36Å; W81-N90 PolarHBondContact O-N 2.77Å; T88-N90 PolarHBondContact O-ND2 3.46Å
91S96.4Very high92.7Very high93 Ų9350.5 Ų50.565%0.6529%0.289SS*.EExtended strand (participates in β ladder)trans-89.7145.9170.2-61.50000110.5
92F95.7Very high92.2Very high19 Ų1958.3 Ų58.38%0.08333%0.325CS..PPolyproline II helixtrans-67.9140.1169.2-77-68.5000110.7L68 F74 R79 T80 W81 Y96 M99 L108L68-F92 HydrophobicContact CD1-CE1 4.37Å; L68-F92 HydrophobicContact CD2-CE1 3.87Å; F74-F92 HydrophobicContact CB-CE2 3.92Å; F74-F92 HydrophobicContact CB-CZ 3.67Å; F74-F92 HydrophobicContact CG-CZ 4.36Å; R79-F92 VanDerWaalsContact C-CD2 3.44Å; R79-F92 PolarHBondContact O-N 2.79Å; T80-F92 WeakPolarHBondContact O-CE2 3.46Å; W81-F92 HydrophobicContact CB-CE1 4.17Å; W81-F92 HydrophobicContact CB-CE2 4.05Å; W81-F92 HydrophobicContact CB-CZ 3.65Å; W81-F92 AromaticContact CD1-CD1 3.74Å; W81-F92 AromaticContact CD1-CE1 3.63Å; W81-F92 AromaticContact CD1-CZ 3.89Å; W81-F92 HydrophobicContact CG-CE1 4.06Å; W81-F92 HydrophobicContact CG-CZ 4.05Å; F92-Y96 HydrophobicContact CD1-CD2 4.5Å; F92-M99 HydrophobicContact CD2-CE 3.8Å; F92-M99 HydrophobicContact CE1-CE 4.29Å; F92-M99 HydrophobicContact CE2-CE 3.52Å; F92-M99 HydrophobicContact CG-CE 4.33Å; F92-M99 HydrophobicContact CZ-CE 3.78Å; F92-L108 HydrophobicContact CE1-CD1 4.18Å; F92-L108 HydrophobicContact CZ-CD1 3.98Å
93P92.8Very high91.9Very high34 Ų3463.3 Ų63.322%0.22134%0.343CS..PPolyproline II helixtrans-59.9155.1171.1-28.237.1000113.4V59 Q95 Y96V59-P93 HydrophobicContact CG1-CG 3.92Å; V59-P93 HydrophobicContact CG2-CG 4.02Å; P93-Q95 HydrophobicContact CB-CG 4.42Å; P93-Q95 VanDerWaalsContact CB-NE2 3.29Å; P93-Q95 PolarHBondContact O-N 3.03Å; P93-Q95 VanDerWaalsContact O-N 3.1Å; P93-Y96 HydrophobicContact CB-CD2 4.14Å; P93-Y96 HydrophobicContact CB-CE2 4.37Å; P93-Y96 HydrophobicContact CG-CD2 4.27Å; P93-Y96 HydrophobicContact CG-CE2 4.25Å; P93-Y96 PolarHBondContact O-N 2.92Å
94P90.9Very high91.6Very high115 Ų11565.8 Ų65.875%0.74736%0.356SS*.G310 helixtrans-55.7-30.1-176.7-27.135.4000115.2Y96 A97P94-Y96 PolarHBondContact O-N 3.43Å; P94-Y96 VanDerWaalsContact O-N 3.17Å; P94-A97 WeakPolarHBondContact O-CB 3.4Å; P94-A97 PolarHBondContact O-N 2.82Å
95Q88.7Confident91.4Very high124 Ų12466.3 Ų66.358%0.57936%0.359SS*.G310 helixtrans-62.7-20.4178.665.4-88.926.100113.8P93 A97P93-Q95 HydrophobicContact CB-CG 4.42Å; P93-Q95 VanDerWaalsContact CB-NE2 3.29Å; P93-Q95 PolarHBondContact O-N 3.03Å; P93-Q95 VanDerWaalsContact O-N 3.1Å; Q95-A97 VanDerWaalsContact C-N 3.35Å
96Y89.8Confident91.2Very high23 Ų2366.7 Ų66.79%0.0936%0.363CS..G310 helixtrans-93.713.4175.6-58.3-76.9000113.1V59 F92 P93 P94 G98 M99 P105 E107V59-Y96 HydrophobicContact CG2-CD2 4.41Å; V59-Y96 HydrophobicContact CG2-CE2 3.39Å; V59-Y96 WeakPolarHBondContact CG2-OH 3.44Å; F92-Y96 HydrophobicContact CD1-CD2 4.5Å; P93-Y96 HydrophobicContact CB-CD2 4.14Å; P93-Y96 HydrophobicContact CB-CE2 4.37Å; P93-Y96 HydrophobicContact CG-CD2 4.27Å; P93-Y96 HydrophobicContact CG-CE2 4.25Å; P93-Y96 PolarHBondContact O-N 2.92Å; P94-Y96 PolarHBondContact O-N 3.43Å; P94-Y96 VanDerWaalsContact O-N 3.17Å; Y96-G98 PolarHBondContact O-N 3.05Å; Y96-G98 VanDerWaalsContact O-N 3.1Å; Y96-M99 VanDerWaalsContact O-CB 3.25Å; Y96-M99 WeakPolarHBondContact O-CB 3.25Å; Y96-M99 PolarHBondContact O-N 3.18Å; Y96-P105 HydrophobicContact CD1-CB 3.74Å; Y96-P105 HydrophobicContact CD1-CG 3.88Å; Y96-P105 HydrophobicContact CE1-CB 3.33Å; Y96-P105 HydrophobicContact CE1-CG 3.82Å; Y96-E107 PolarHBondContact OH-OE1 3.17Å
97A85.9Confident91.2Very high44 Ų4466.2 Ų66.236%0.36436%0.36SS..THydrogen-bonded Turntrans-57.7-26.918000000113.8R79 P94 Q95R79-A97 PolarHBondContact NH2-O 2.91Å; P94-A97 WeakPolarHBondContact O-CB 3.4Å; P94-A97 PolarHBondContact O-N 2.82Å; Q95-A97 VanDerWaalsContact C-N 3.35Å
98G85.7Confident91.2Very high59 Ų5963.3 Ų63.361%0.60835%0.345SS*.THydrogen-bonded Turntrans-93.712.4177.900000115.3Y96Y96-G98 PolarHBondContact O-N 3.05Å; Y96-G98 VanDerWaalsContact O-N 3.1Å
99M88.2Confident91.1Very high17 Ų1765.1 Ų65.18%0.08435%0.352CS..  trans-67.7134.6178.3-178.5174.369.100111.3F74 I76 F92 Y96 L104 P105 L108F74-M99 HydrophobicContact CD2-CE 4.45Å; I76-M99 HydrophobicContact CG1-CE 4.12Å; F92-M99 HydrophobicContact CD2-CE 3.8Å; F92-M99 HydrophobicContact CE1-CE 4.29Å; F92-M99 HydrophobicContact CE2-CE 3.52Å; F92-M99 HydrophobicContact CG-CE 4.33Å; F92-M99 HydrophobicContact CZ-CE 3.78Å; Y96-M99 VanDerWaalsContact O-CB 3.25Å; Y96-M99 WeakPolarHBondContact O-CB 3.25Å; Y96-M99 PolarHBondContact O-N 3.18Å; M99-L104 HydrophobicContact CG-CD2 4.09Å; M99-L104 HydrophobicContact SD-CD2 4.08Å; M99-P105 WeakPolarHBondContact SD-CD 3.39Å; M99-P105 HydrophobicContact SD-CG 3.93Å; M99-L108 HydrophobicContact CE-CD1 4.49Å; M99-L108 HydrophobicContact SD-CD1 3.78Å
100T88.6Confident90.7Very high60 Ų6061.8 Ų61.837%0.36836%0.356SS..BIsolated β-bridgetrans-132.3170.7172.667.30000109.4Q102 K103 L104T100-Q102 PolarHBondContact O-N 2.76Å; T100-K103 PolarHBondContact N-O 3.18Å; T100-K103 CarbonylContact O-C 3.57Å; T100-K103 PolarHBondContact O-N 2.86Å; T100-K103 WeakPolarHBondContact OG1-CB 3.39Å; T100-K103 PolarHBondContact OG1-N 3.32Å; T100-L104 PolarHBondContact O-N 3.31Å
101E85.4Confident90.3Very high147 Ų14766.2 Ų66.269%0.68738%0.377SS*.THydrogen-bonded Turntrans-59.3-33.6177.3-67.7-177.9172.700112.6I76I76-E101 HydrophobicContact CD1-CB 4.32Å; I76-E101 HydrophobicContact CD1-CG 3.45Å; I76-E101 VanDerWaalsContact CD1-CG 3.45Å
102Q86.8Confident90.1Very high165 Ų16562.9 Ų62.977%0.77135%0.351SS*.THydrogen-bonded Turntrans-83.3-18.1177.1-59.875.820.100112.8T100T100-Q102 PolarHBondContact O-N 2.76Å
103K88.8Confident90.1Very high150 Ų15062.6 Ų62.665%0.65235%0.351SS*.BIsolated β-bridgetrans-126.665.6-176.9-166.7-180179.3176.80109.8T100T100-K103 PolarHBondContact N-O 3.18Å; T100-K103 CarbonylContact O-C 3.57Å; T100-K103 PolarHBondContact O-N 2.86Å; T100-K103 WeakPolarHBondContact OG1-CB 3.39Å; T100-K103 PolarHBondContact OG1-N 3.32Å
104L90.9Very high90.2Very high52 Ų5261.1 Ų61.127%0.27234%0.341SS..  trans-78.7146.1172.8-68.1174000110.7F74 M99 T100 L108F74-L104 HydrophobicContact CE2-CD2 3.64Å; F74-L104 HydrophobicContact CZ-CD1 4.12Å; F74-L104 HydrophobicContact CZ-CD2 3.66Å; M99-L104 HydrophobicContact CG-CD2 4.09Å; M99-L104 HydrophobicContact SD-CD2 4.08Å; T100-L104 PolarHBondContact O-N 3.31Å; L104-L108 HydrophobicContact CB-CB 4.42Å; L104-L108 HydrophobicContact CD2-CD1 4.33Å
105P91.4Very high90.4Very high16 Ų1656 Ų5610%0.10431%0.307CS..  trans-68.6157.3169.134.7-38.8000110.5Y96 M99 E107 L108Y96-P105 HydrophobicContact CD1-CB 3.74Å; Y96-P105 HydrophobicContact CD1-CG 3.88Å; Y96-P105 HydrophobicContact CE1-CB 3.33Å; Y96-P105 HydrophobicContact CE1-CG 3.82Å; M99-P105 WeakPolarHBondContact SD-CD 3.39Å; M99-P105 HydrophobicContact SD-CG 3.93Å; P105-E107 WeakPolarHBondContact CB-OE2 3.41Å; P105-E107 PolarHBondContact O-N 3.38Å; P105-E107 VanDerWaalsContact O-N 3.12Å; P105-L108 HydrophobicContact CG-CB 4.3Å; P105-L108 HydrophobicContact CG-CD1 3.87Å; P105-L108 HydrophobicContact CG-CG 4.01Å; P105-L108 PolarHBondContact O-N 2.64Å
106A91.7Very high90.6Very high14 Ų1450.7 Ų50.712%0.11628%0.282CS..G310 helixtrans-55.8-35.6-174.300000112.1P52 I54 L108 M109 F112 L115P52-A106 HydrophobicContact CG-CB 4.06Å; I54-A106 HydrophobicContact CD1-CB 4.02Å; A106-L108 PolarHBondContact O-N 2.95Å; A106-L108 VanDerWaalsContact O-N 3.14Å; A106-M109 PolarHBondContact O-N 3.46Å; A106-M109 VanDerWaalsContact O-N 3.14Å; A106-F112 HydrophobicContact CB-CD2 4.12Å; A106-F112 HydrophobicContact CB-CE2 4.47Å; A106-F112 WeakPolarHBondContact O-CB 3.19Å; A106-F112 WeakPolarHBondContact O-CD2 3.32Å; A106-L115 HydrophobicContact CB-CD1 4.44Å
107E94Very high90.8Very high0 Ų049.8 Ų49.80%028%0.279CS..G310 helixtrans-60.9-21.3179-5996.5126.800114.6Y56 L68 N69 P70 Y96 P105 L115 Y117Y56-E107 VanDerWaalsContact CE2-OE1 3.31Å; Y56-E107 WeakPolarHBondContact CE2-OE1 2.96Å; Y56-E107 PolarHBondContact OH-OE2 2.83Å; L68-E107 HydrophobicContact CB-CB 4.47Å; L68-E107 HydrophobicContact CD2-CB 3.99Å; L68-E107 HydrophobicContact CG-CB 4.07Å; N69-E107 CarbonylContact C-O 3.54Å; N69-E107 VanDerWaalsContact CA-O 3.23Å; N69-E107 WeakPolarHBondContact CA-O 3.45Å; P70-E107 WeakPolarHBondContact CD-O 3.43Å; P70-E107 WeakPolarHBondContact CG-O 3.28Å; Y96-E107 PolarHBondContact OH-OE1 3.17Å; P105-E107 WeakPolarHBondContact CB-OE2 3.41Å; P105-E107 PolarHBondContact O-N 3.38Å; P105-E107 VanDerWaalsContact O-N 3.12Å; E107-L115 HydrophobicContact CB-CD1 4.33Å; E107-L115 HydrophobicContact CG-CD1 4Å; E107-Y117 HydrophobicContact CG-CE1 4.41Å; E107-Y117 WeakPolarHBondContact CG-OH 3.49Å
108L94.1Very high91.1Very high9 Ų948.8 Ų48.85%0.04727%0.268CS..G310 helixtrans-104.6-3.5-179.1-66.2-179000112.9L68 F74 F92 M99 L104 P105 A106L68-L108 HydrophobicContact CD1-CD2 3.88Å; L68-L108 HydrophobicContact CD2-CD2 4.26Å; L68-L108 HydrophobicContact CD2-CG 4.33Å; L68-L108 HydrophobicContact CG-CD2 4.06Å; F74-L108 HydrophobicContact CD1-CD1 3.93Å; F74-L108 HydrophobicContact CD1-CD2 3.89Å; F74-L108 HydrophobicContact CD1-CG 4.42Å; F74-L108 HydrophobicContact CD2-CD1 4.13Å; F74-L108 HydrophobicContact CE1-CB 4.36Å; F74-L108 HydrophobicContact CE1-CD1 4.1Å; F74-L108 HydrophobicContact CE1-CD2 4.26Å; F74-L108 HydrophobicContact CE1-CG 4.49Å; F74-L108 HydrophobicContact CE2-CD1 4.29Å; F74-L108 HydrophobicContact CG-CD1 3.96Å; F74-L108 HydrophobicContact CZ-CD1 4.27Å; F92-L108 HydrophobicContact CE1-CD1 4.18Å; F92-L108 HydrophobicContact CZ-CD1 3.98Å; M99-L108 HydrophobicContact CE-CD1 4.49Å; M99-L108 HydrophobicContact SD-CD1 3.78Å; L104-L108 HydrophobicContact CB-CB 4.42Å; L104-L108 HydrophobicContact CD2-CD1 4.33Å; P105-L108 HydrophobicContact CG-CB 4.3Å; P105-L108 HydrophobicContact CG-CD1 3.87Å; P105-L108 HydrophobicContact CG-CG 4.01Å; P105-L108 PolarHBondContact O-N 2.64Å; A106-L108 PolarHBondContact O-N 2.95Å; A106-L108 VanDerWaalsContact O-N 3.14Å
109M92.2Very high90.9Very high64 Ų6446.6 Ų46.632%0.31524%0.243SC..SBendtrans-78.2130.4178.1-58.5177.57200110.3P70 A106 Q111 F112P70-M109 WeakPolarHBondContact CG-O 3.45Å; A106-M109 PolarHBondContact O-N 3.46Å; A106-M109 VanDerWaalsContact O-N 3.14Å; M109-Q111 VanDerWaalsContact C-N 3.25Å; M109-Q111 PolarHBondContact O-N 2.81Å; M109-Q111 VanDerWaalsContact O-N 3.11Å; M109-F112 HydrophobicContact CB-CD2 3.73Å; M109-F112 HydrophobicContact CB-CE2 4.32Å; M109-F112 HydrophobicContact CE-CE2 4.14Å; M109-F112 HydrophobicContact CG-CD2 4.25Å; M109-F112 PolarHBondContact O-N 2.76Å; M109-F112 HydrophobicContact SD-CD2 3.84Å; M109-F112 HydrophobicContact SD-CE2 3.6Å; M109-F112 VanDerWaalsContact SD-CE2 3.6Å
110A90.1Very high90.3Very high80 Ų8047.8 Ų47.866%0.66125%0.251SS*.THydrogen-bonded Turntrans-57.4-31.9-171.700000114.6F112A110-F112 VanDerWaalsContact C-N 3.29Å; A110-F112 PolarHBondContact O-N 3.09Å
111Q89Confident89.4Confident105 Ų10553.7 Ų53.749%0.49127%0.272SS..THydrogen-bonded Turntrans-74.9-12.5178.365-101.235.700114.9M109 T113M109-Q111 VanDerWaalsContact C-N 3.25Å; M109-Q111 PolarHBondContact O-N 2.81Å; M109-Q111 VanDerWaalsContact O-N 3.11Å; Q111-T113 PolarHBondContact O-N 2.97Å
112F92.4Very high88.6Confident23 Ų2348.4 Ų48.410%0.10125%0.25CC..  trans-103.854.1-174.3-67.1-39.3000111.9P52 P70 A106 M109 A110 T114 L115P52-F112 HydrophobicContact CG-CD2 4.42Å; P52-F112 HydrophobicContact CG-CE1 4.32Å; P52-F112 HydrophobicContact CG-CE2 3.93Å; P52-F112 HydrophobicContact CG-CZ 3.89Å; P70-F112 WeakPolarHBondContact CG-O 3.09Å; A106-F112 HydrophobicContact CB-CD2 4.12Å; A106-F112 HydrophobicContact CB-CE2 4.47Å; A106-F112 WeakPolarHBondContact O-CB 3.19Å; A106-F112 WeakPolarHBondContact O-CD2 3.32Å; M109-F112 HydrophobicContact CB-CD2 3.73Å; M109-F112 HydrophobicContact CB-CE2 4.32Å; M109-F112 HydrophobicContact CE-CE2 4.14Å; M109-F112 HydrophobicContact CG-CD2 4.25Å; M109-F112 PolarHBondContact O-N 2.76Å; M109-F112 HydrophobicContact SD-CD2 3.84Å; M109-F112 HydrophobicContact SD-CE2 3.6Å; M109-F112 VanDerWaalsContact SD-CE2 3.6Å; A110-F112 VanDerWaalsContact C-N 3.29Å; A110-F112 PolarHBondContact O-N 3.09Å; F112-T114 PolarHBondContact O-N 3.03Å; F112-L115 HydrophobicContact CB-CD1 4.17Å; F112-L115 HydrophobicContact CB-CD2 3.62Å; F112-L115 HydrophobicContact CB-CG 3.86Å; F112-L115 HydrophobicContact CD1-CD2 4.03Å; F112-L115 HydrophobicContact CD2-CD2 4.33Å; F112-L115 HydrophobicContact CG-CD2 3.75Å
113T95Very high87.9Confident14 Ų1443.9 Ų43.99%0.08623%0.228CC..SBendtrans-64.5-30.2169.446.70000112.3D15 Y71 Q111 T526D15-T113 VanDerWaalsContact CG-OG1 3.3Å; D15-T113 WeakPolarHBondContact OD1-CB 3.29Å; D15-T113 PolarHBondContact OD1-OG1 3.26Å; D15-T113 PolarHBondContact OD2-OG1 2.93Å; Y71-T113 HydrophobicContact CE2-CG2 4.06Å; Y71-T113 VanDerWaalsContact OH-CG2 3.27Å; Y71-T113 WeakPolarHBondContact OH-CG2 3.47Å; Q111-T113 PolarHBondContact O-N 2.97Å; T113-T526 PolarHBondContact O-N 2.88Å
114T95.6Very high87.5Confident3 Ų341.7 Ų41.72%0.01822%0.224CC..EExtended strand (participates in β ladder)trans-111.4132.5166.6-64.50000110.4D15 F51 F112 R523 V524 T525D15-T114 PolarHBondContact OD1-N 3.46Å; D15-T114 PolarHBondContact OD1-OG1 2.9Å; F51-T114 HydrophobicContact CE1-CG2 3.95Å; F51-T114 VanDerWaalsContact CE1-O 3.23Å; F51-T114 WeakPolarHBondContact CE1-O 3.47Å; F51-T114 HydrophobicContact CZ-CG2 3.64Å; F112-T114 PolarHBondContact O-N 3.03Å; T114-R523 HydrophobicContact CG2-CG 4.13Å; T114-V524 CarbonylContact C-O 3.02Å; T114-V524 VanDerWaalsContact CA-O 3.26Å; T114-V524 WeakPolarHBondContact CA-O 3.05Å; T114-T525 VanDerWaalsContact CG2-OG1 3.3Å; T114-T525 WeakPolarHBondContact CG2-OG1 3.4Å; T114-T525 WeakPolarHBondContact OG1-CB 3.36Å; T114-T525 WeakPolarHBondContact OG1-CG2 3.48Å; T114-T525 PolarHBondContact OG1-OG1 3.01Å
115L94.3Very high87Confident6 Ų640.2 Ų40.23%0.03122%0.216CC..EExtended strand (participates in β ladder)trans-137.3150.3174.9-76.3177.1000111.3P52 I54 A106 E107 F112 Y117 R523 V524P52-L115 HydrophobicContact CG-CD2 4.3Å; I54-L115 HydrophobicContact CD1-CB 4.13Å; I54-L115 HydrophobicContact CD1-CD1 3.81Å; I54-L115 HydrophobicContact CD1-CD2 3.59Å; I54-L115 HydrophobicContact CD1-CG 4.05Å; A106-L115 HydrophobicContact CB-CD1 4.44Å; E107-L115 HydrophobicContact CB-CD1 4.33Å; E107-L115 HydrophobicContact CG-CD1 4Å; F112-L115 HydrophobicContact CB-CD1 4.17Å; F112-L115 HydrophobicContact CB-CD2 3.62Å; F112-L115 HydrophobicContact CB-CG 3.86Å; F112-L115 HydrophobicContact CD1-CD2 4.03Å; F112-L115 HydrophobicContact CD2-CD2 4.33Å; F112-L115 HydrophobicContact CG-CD2 3.75Å; L115-Y117 HydrophobicContact CB-CE2 3.98Å; L115-R523 CarbonylContact O-C 3.48Å; L115-R523 WeakPolarHBondContact O-CA 3.24Å; L115-V524 PolarHBondContact N-O 2.78Å; L115-V524 PolarHBondContact O-N 2.79Å
116E93.2Very high86.8Confident14 Ų1440.3 Ų40.37%0.06522%0.217CC..EExtended strand (participates in β ladder)trans-123.7111.8176.6-172.8169.4113.300110.8F51 Y513 R515 K521 L522 R523F51-E116 HydrophobicContact CD2-CB 4.32Å; E116-Y513 PolarHBondContact OE1-OH 3.41Å; E116-Y513 PolarHBondContact OE2-OH 3.39Å; E116-R515 IonicContact OE1-CZ 3.69Å; E116-R515 IonicContact OE1-NE 2.71Å; E116-R515 PolarHBondContact OE1-NE 2.79Å; E116-R515 IonicContact OE1-NH2 2.85Å; E116-R515 PolarHBondContact OE1-NH2 2.83Å; E116-R515 IonicContact OE2-NH2 3.29Å; E116-K521 HydrophobicContact CG-CB 4.14Å; E116-K521 HydrophobicContact CG-CD 4.19Å; E116-K521 HydrophobicContact CG-CG 4.38Å; E116-L522 WeakPolarHBondContact CA-O 3.42Å; E116-R523 IonicContact OE2-CZ 3.97Å; E116-R523 VanDerWaalsContact OE2-CZ 3.29Å; E116-R523 IonicContact OE2-NE 3.01Å; E116-R523 PolarHBondContact OE2-NE 2.91Å; E116-R523 IonicContact OE2-NH2 2.8Å; E116-R523 PolarHBondContact OE2-NH2 3.18Å
117Y93.8Very high86.7Confident3 Ų339.7 Ų39.71%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-88.9134.7177.4-55.2-108.8000109I54 Y56 P58 E107 L115 K521 L522 V524I54-Y117 HydrophobicContact CB-CD1 4.34Å; I54-Y117 HydrophobicContact CG2-CD1 3.23Å; I54-Y117 HydrophobicContact CG2-CE1 3.67Å; I54-Y117 HydrophobicContact CG2-CG 3.9Å; Y56-Y117 HydrophobicContact CE2-CE1 4.41Å; P58-Y117 HydrophobicContact CB-CD1 3.94Å; P58-Y117 HydrophobicContact CB-CE1 3.67Å; P58-Y117 HydrophobicContact CB-CE2 4.34Å; P58-Y117 HydrophobicContact CB-CG 4.42Å; E107-Y117 HydrophobicContact CG-CE1 4.41Å; E107-Y117 WeakPolarHBondContact CG-OH 3.49Å; L115-Y117 HydrophobicContact CB-CE2 3.98Å; Y117-K521 CarbonylContact O-C 3.58Å; Y117-K521 VanDerWaalsContact O-CA 3.27Å; Y117-K521 WeakPolarHBondContact O-CA 3.4Å; Y117-L522 WeakPolarHBondContact CD2-O 3.48Å; Y117-L522 PolarHBondContact N-O 3.49Å; Y117-L522 PolarHBondContact O-N 2.83Å; Y117-V524 HydrophobicContact CD2-CG2 4.17Å; Y117-V524 HydrophobicContact CE2-CB 4.31Å; Y117-V524 HydrophobicContact CE2-CG2 3.82Å
118T91.3Very high86.7Confident24 Ų2439.8 Ų39.815%0.14721%0.212CC..EExtended strand (participates in β ladder)trans-84.3117.3162.4-50.40000108I54 N55 P120 K521I54-T118 PolarHBondContact O-N 3.49Å; N55-T118 VanDerWaalsContact OD1-CB 3.23Å; N55-T118 WeakPolarHBondContact OD1-CB 3.39Å; N55-T118 PolarHBondContact OD1-OG1 3.48Å; N55-T118 VanDerWaalsContact OD1-OG1 3.07Å; T118-P120 WeakPolarHBondContact O-CD 3.33Å; T118-K521 PolarHBondContact OG1-NZ 3.02Å
119I82.7Confident86.9Confident13 Ų1339.3 Ų39.37%0.06721%0.21CC..  trans-73.2113.5178.8-56.7171.9000107.6V122 Y232 Q512 R520 L522I119-V122 HydrophobicContact CB-CG2 4.27Å; I119-V122 HydrophobicContact CG2-CG2 3.71Å; I119-Y232 HydrophobicContact CD1-CD2 3.99Å; I119-Y232 HydrophobicContact CD1-CE2 3.65Å; I119-Y232 HydrophobicContact CG1-CE2 3.82Å; I119-Y232 HydrophobicContact CG2-CE2 3.98Å; I119-Q512 HydrophobicContact CD1-CG 4.09Å; I119-R520 HydrophobicContact CB-CB 4.27Å; I119-R520 HydrophobicContact CD1-CB 4.12Å; I119-R520 PolarHBondContact N-O 3.04Å; I119-L522 HydrophobicContact CD1-CB 4.22Å; I119-L522 HydrophobicContact CG1-CB 4.28Å
120P75.6Confident87.1Confident41 Ų4136.3 Ų36.327%0.26620%0.195SC..THydrogen-bonded Turntrans-70157.5-178.530.3-33.6000110.7T118 V122T118-P120 WeakPolarHBondContact O-CD 3.33Å; P120-V122 VanDerWaalsContact C-N 3.3Å; P120-V122 PolarHBondContact O-N 3.02Å
121K68.4Low87.6Confident184 Ų18432.5 Ų32.580%0.816%0.164SC*.THydrogen-bonded Turntrans6518.3169.7-52.9172.1-177.3173.60116.6
122V69.7Low88Confident36 Ų3627.5 Ų27.522%0.21814%0.14CC..PPolyproline II helixtrans-90.8134.4167.5-168.10000109.9I119 P120 L124 R520I119-V122 HydrophobicContact CB-CG2 4.27Å; I119-V122 HydrophobicContact CG2-CG2 3.71Å; P120-V122 VanDerWaalsContact C-N 3.3Å; P120-V122 PolarHBondContact O-N 3.02Å; V122-L124 PolarHBondContact O-N 3.17Å; V122-R520 HydrophobicContact CB-CB 4.45Å; V122-R520 HydrophobicContact CB-CG 4.33Å; V122-R520 HydrophobicContact CG1-CG 3.95Å; V122-R520 HydrophobicContact CG2-CB 4.35Å
123Q72.5Confident88.3Confident70 Ų7026.5 Ų26.533%0.32714%0.136SC..PPolyproline II helixtrans-57.8127.3170.3-177.4176.5-6.900110.1V125 A244Q123-V125 PolarHBondContact O-N 2.96Å; Q123-A244 PolarHBondContact NE2-O 2.87Å; Q123-A244 VanDerWaalsContact OE1-N 3.1Å; Q123-A244 PolarHBondContact OE1-O 2.9Å
124L79.1Confident88.5Confident105 Ų10525.8 Ų25.855%0.5513%0.132SC..PPolyproline II helixtrans-67.6122.5173.7-59.4176.5000108.4V122 Q519V122-L124 PolarHBondContact O-N 3.17Å; L124-Q519 HydrophobicContact CD2-CB 4.28Å; L124-Q519 HydrophobicContact CD2-CG 3.73Å
125V81Confident88.6Confident20 Ų2026.1 Ų26.112%0.12113%0.134CC..  trans-105.5119.4172.9-173.90000107.4Q123 L246 T304 Q514 G518Q123-V125 PolarHBondContact O-N 2.96Å; V125-L246 HydrophobicContact CG1-CD1 4.29Å; V125-L246 HydrophobicContact CG1-CD2 4.03Å; V125-T304 HydrophobicContact CB-CG2 4.4Å; V125-T304 HydrophobicContact CG1-CG2 3.34Å; V125-Q514 PolarHBondContact O-NE2 2.89Å; V125-G518 WeakPolarHBondContact O-CA 3.33Å
126P86.5Confident88.8Confident19 Ų1926.3 Ų26.312%0.12314%0.135CC..  trans-63.1155.6176.527.4-36.2000111.3H159 F161 L246P126-H159 WeakPolarHBondContact CB-O 3.32Å; P126-F161 HydrophobicContact CB-CD2 4.18Å; P126-F161 HydrophobicContact CG-CD2 3.47Å; P126-F161 VanDerWaalsContact CG-CD2 3.47Å; P126-F161 HydrophobicContact CG-CE2 3.51Å; P126-L246 HydrophobicContact CG-CD1 4.01Å
127P90.1Very high89Confident1 Ų126 Ų261%0.00613%0.134CC..  trans-68.7144.2174.530.5-32.5000109.7F129 A160 F161 L424 A516P127-F129 HydrophobicContact CB-CE2 3.77Å; P127-F129 HydrophobicContact CB-CZ 4.16Å; P127-F129 HydrophobicContact CG-CE2 3.9Å; P127-A160 HydrophobicContact CG-CB 4.3Å; P127-F161 PolarHBondContact O-N 2.88Å; P127-L424 HydrophobicContact CB-CD1 4.05Å; P127-A516 WeakPolarHBondContact CD-O 3.5Å; P127-A516 VanDerWaalsContact CG-O 3.31Å; P127-A516 WeakPolarHBondContact CG-O 3.28Å
128I94.7Very high88.9Confident1 Ų133.3 Ų33.31%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-113130.7179.5-47.8-178.9000108.8F161 I252 L297 Y301 T304 G305 A306 R307I128-F161 CarbonylContact C-O 3.48Å; I128-F161 WeakPolarHBondContact CA-O 3.17Å; I128-F161 HydrophobicContact CB-CB 4.25Å; I128-F161 HydrophobicContact CG1-CB 4Å; I128-F161 HydrophobicContact CG2-CB 4.04Å; I128-I252 HydrophobicContact CG2-CG2 3.7Å; I128-L297 HydrophobicContact CG2-CD2 4.12Å; I128-Y301 HydrophobicContact CD1-CD1 3.6Å; I128-Y301 HydrophobicContact CD1-CD2 3.7Å; I128-Y301 HydrophobicContact CD1-CE1 4.12Å; I128-Y301 HydrophobicContact CD1-CE2 4.19Å; I128-Y301 HydrophobicContact CD1-CG 3.38Å; I128-T304 HydrophobicContact CD1-CG2 3.86Å; I128-T304 HydrophobicContact CG1-CG2 4.41Å; I128-G305 PolarHBondContact N-O 2.85Å; I128-A306 HydrophobicContact CB-CB 3.71Å; I128-A306 HydrophobicContact CD1-CB 4.35Å; I128-A306 HydrophobicContact CG1-CB 4.36Å; I128-A306 HydrophobicContact CG2-CB 4.28Å; I128-A306 CarbonylContact O-C 3.58Å; I128-A306 VanDerWaalsContact O-CA 3.32Å; I128-A306 WeakPolarHBondContact O-CA 3.45Å; I128-R307 PolarHBondContact O-N 3.17Å
129F97Very high89.1Confident0 Ų036.4 Ų36.40%018%0.181CC..EExtended strand (participates in β ladder)trans-122.2119177.1-60.6-90.1000109.8P127 F131 L156 A160 F161 V162 G163 R307 M309 F412 F420P127-F129 HydrophobicContact CB-CE2 3.77Å; P127-F129 HydrophobicContact CB-CZ 4.16Å; P127-F129 HydrophobicContact CG-CE2 3.9Å; F129-F131 HydrophobicContact CB-CE2 4.15Å; F129-F131 HydrophobicContact CB-CZ 4.37Å; F129-L156 HydrophobicContact CD2-CD1 4.39Å; F129-L156 HydrophobicContact CD2-CD2 3.79Å; F129-L156 HydrophobicContact CE2-CD2 3.66Å; F129-L156 HydrophobicContact CG-CD2 4.29Å; F129-L156 HydrophobicContact CZ-CD2 4.05Å; F129-A160 HydrophobicContact CD2-CB 4.4Å; F129-A160 HydrophobicContact CE2-CB 4.33Å; F129-F161 PolarHBondContact N-O 2.7Å; F129-V162 CarbonylContact O-C 3.57Å; F129-V162 VanDerWaalsContact O-CA 3.23Å; F129-V162 WeakPolarHBondContact O-CA 3.3Å; F129-G163 PolarHBondContact O-N 3.04Å; F129-R307 CarbonylContact C-O 3.44Å; F129-R307 WeakPolarHBondContact CA-O 3.44Å; F129-R307 HydrophobicContact CD1-CB 4.21Å; F129-R307 HydrophobicContact CE1-CG 4.41Å; F129-M309 HydrophobicContact CD1-SD 3.93Å; F129-F412 HydrophobicContact CE1-CE1 4.23Å; F129-F420 HydrophobicContact CE2-CE2 4.25Å; F129-F420 HydrophobicContact CZ-CD2 4.21Å; F129-F420 AromaticContact CZ-CE2 3.98Å; F129-F420 HydrophobicContact CZ-CE2 3.98Å
130I98.1Very high89.7Confident0 Ų039.7 Ų39.70%020%0.204CC..EExtended strand (participates in β ladder)trans-107113.6172.4-59-170.6000108.5V132 G163 I165 I252 L296 L297 R307 V308 M309I130-V132 HydrophobicContact CG2-CG2 3.94Å; I130-G163 CarbonylContact C-O 3.58Å; I130-G163 WeakPolarHBondContact CA-O 3.47Å; I130-I165 HydrophobicContact CG2-CD1 3.97Å; I130-I165 HydrophobicContact CG2-CG1 4.19Å; I130-I252 HydrophobicContact CD1-CD1 3.78Å; I130-I252 HydrophobicContact CD1-CG1 4.47Å; I130-I252 HydrophobicContact CG1-CD1 4.41Å; I130-L296 HydrophobicContact CD1-CD2 4.28Å; I130-L297 HydrophobicContact CD1-CD1 3.83Å; I130-L297 HydrophobicContact CD1-CD2 3.53Å; I130-L297 HydrophobicContact CD1-CG 3.43Å; I130-L297 VanDerWaalsContact CD1-CG 3.43Å; I130-L297 HydrophobicContact CG1-CD1 4.43Å; I130-L297 HydrophobicContact CG1-CD2 4.2Å; I130-L297 HydrophobicContact CG1-CG 4.39Å; I130-R307 PolarHBondContact N-O 2.98Å; I130-V308 CarbonylContact O-C 3.46Å; I130-M309 PolarHBondContact O-N 2.9Å
131F98.7Very high90.7Very high1 Ų140.4 Ų40.40%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-81.3122.5173-59.2-89.1000108.9F129 I133 I149 L153 L156 V162 G163 L164 I165 M309 F311F129-F131 HydrophobicContact CB-CE2 4.15Å; F129-F131 HydrophobicContact CB-CZ 4.37Å; F131-I133 HydrophobicContact CB-CD1 4.49Å; F131-I133 HydrophobicContact CB-CG1 4.38Å; F131-I149 HydrophobicContact CD1-CG2 3.78Å; F131-I149 HydrophobicContact CE1-CG2 4Å; F131-I149 HydrophobicContact CG-CG2 4.32Å; F131-L153 HydrophobicContact CE2-CD2 3.66Å; F131-L153 HydrophobicContact CZ-CD2 3.79Å; F131-L156 HydrophobicContact CE2-CD1 4.44Å; F131-L156 HydrophobicContact CZ-CD1 4.31Å; F131-V162 HydrophobicContact CE2-CB 4.47Å; F131-V162 HydrophobicContact CE2-CG1 4.21Å; F131-G163 PolarHBondContact N-O 3.05Å; F131-L164 HydrophobicContact CB-CD1 4.09Å; F131-I165 PolarHBondContact O-N 3.05Å; F131-I165 VanDerWaalsContact O-O 3.12Å; F131-M309 HydrophobicContact CD1-SD 4.41Å; F131-M309 HydrophobicContact CE1-SD 3.94Å; F131-M309 HydrophobicContact CZ-SD 4.44Å; F131-F311 AromaticContact CD1-CE2 3.88Å; F131-F311 HydrophobicContact CD1-CE2 3.88Å; F131-F311 HydrophobicContact CD1-CZ 4.31Å
132V98.8Very high92.1Very high0 Ų031.7 Ų31.70%017%0.165CC..EExtended strand (participates in β ladder)trans-117.5102.7178.4-173.10000108I130 I165 F167 A289 A293 V308 M309 L310 F311I130-V132 HydrophobicContact CG2-CG2 3.94Å; V132-I165 CarbonylContact C-O 3.58Å; V132-I165 VanDerWaalsContact CA-O 3.25Å; V132-I165 WeakPolarHBondContact CA-O 3.29Å; V132-I165 HydrophobicContact CG1-CB 4.39Å; V132-I165 HydrophobicContact CG1-CG2 4.19Å; V132-I165 HydrophobicContact CG2-CB 4.24Å; V132-I165 HydrophobicContact CG2-CD1 4.5Å; V132-F167 HydrophobicContact CG1-CD1 3.75Å; V132-F167 HydrophobicContact CG1-CE1 3.81Å; V132-A289 HydrophobicContact CG1-CB 3.97Å; V132-A293 HydrophobicContact CG2-CB 3.97Å; V132-V308 HydrophobicContact CG2-CG1 3.54Å; V132-M309 PolarHBondContact N-O 3.28Å; V132-L310 HydrophobicContact CB-CD1 4.15Å; V132-L310 HydrophobicContact CG1-CD1 3.85Å; V132-L310 CarbonylContact O-C 3.57Å; V132-L310 WeakPolarHBondContact O-CA 3.48Å; V132-F311 PolarHBondContact O-N 2.95Å
133I98.8Very high93.4Very high1 Ų132.2 Ų32.21%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-110.7125.6-164.8-52.7177.4000111.2F131 T135 F142 L145 I149 L164 I165 T166 F167 L266 L269 F311F131-I133 HydrophobicContact CB-CD1 4.49Å; F131-I133 HydrophobicContact CB-CG1 4.38Å; I133-T135 PolarHBondContact O-N 3.09Å; I133-F142 HydrophobicContact CG2-CE2 3.99Å; I133-L145 HydrophobicContact CG2-CD2 3.98Å; I133-I149 HydrophobicContact CD1-CD1 3.47Å; I133-I149 VanDerWaalsContact CD1-CD1 3.47Å; I133-I149 HydrophobicContact CG1-CD1 3.8Å; I133-L164 HydrophobicContact CD1-CD1 3.62Å; I133-L164 HydrophobicContact CG1-CD1 4.21Å; I133-I165 PolarHBondContact N-O 3.28Å; I133-T166 HydrophobicContact CB-CG2 4.24Å; I133-T166 CarbonylContact O-C 3.48Å; I133-T166 VanDerWaalsContact O-CA 3.31Å; I133-T166 WeakPolarHBondContact O-CA 3.49Å; I133-F167 VanDerWaalsContact C-CE1 3.43Å; I133-F167 VanDerWaalsContact O-CD1 3.28Å; I133-F167 WeakPolarHBondContact O-CD1 3.4Å; I133-F167 PolarHBondContact O-N 3.4Å; I133-L266 HydrophobicContact CD1-CD2 3.59Å; I133-L269 HydrophobicContact CD1-CD1 4.2Å; I133-F311 HydrophobicContact CG1-CD2 4.27Å
134D98.6Very high94.6Very high0 Ų031.5 Ų31.50%017%0.165CC..EExtended strand (participates in β ladder)trans-70116.1170-173.71.6000110.8C136 I137 F167 R284 F311 G313D134-C136 VanDerWaalsContact C-N 3.34Å; D134-C136 WeakPolarHBondContact OD1-CA 3.43Å; D134-C136 WeakPolarHBondContact OD1-CB 3.23Å; D134-C136 PolarHBondContact OD1-N 3.39Å; D134-I137 HydrophobicContact CB-CD1 3.98Å; D134-I137 HydrophobicContact CB-CG1 4.12Å; D134-I137 WeakPolarHBondContact O-CD1 3.22Å; D134-F167 CarbonylContact C-O 3.6Å; D134-F167 WeakPolarHBondContact CA-O 3.33Å; D134-F167 HydrophobicContact CB-CE1 4.05Å; D134-F167 HydrophobicContact CB-CE2 3.86Å; D134-F167 HydrophobicContact CB-CZ 3.5Å; D134-F167 VanDerWaalsContact N-CE1 3.33Å; D134-R284 IonicContact OD1-NE 3.93Å; D134-R284 IonicContact OD2-CZ 2.8Å; D134-R284 IonicContact OD2-NE 3.24Å; D134-R284 PolarHBondContact OD2-NE 3.46Å; D134-R284 VanDerWaalsContact OD2-NE 3.09Å; D134-F311 VanDerWaalsContact CB-O 3.27Å; D134-F311 WeakPolarHBondContact CB-O 3.34Å; D134-F311 PolarHBondContact N-O 2.9Å; D134-F311 VanDerWaalsContact N-O 3.11Å; D134-G313 PolarHBondContact OD2-N 3.36Å
135T98.3Very high95.5Very high10 Ų1026.5 Ų26.56%0.06114%0.139CC..THydrogen-bonded Turntrans-87.9-3.5174.8620000112.5I133 I137 F142 T166 F167 G168 P271 D272I133-T135 PolarHBondContact O-N 3.09Å; T135-I137 PolarHBondContact O-N 2.81Å; T135-F142 HydrophobicContact CG2-CZ 4.35Å; T135-T166 HydrophobicContact CG2-CG2 4.49Å; T135-F167 PolarHBondContact N-O 3.21Å; T135-F167 PolarHBondContact OG1-O 2.83Å; T135-G168 PolarHBondContact OG1-N 2.91Å; T135-P271 CarbonylContact O-C 3.54Å; T135-P271 VanDerWaalsContact O-CA 3.29Å; T135-P271 WeakPolarHBondContact O-CA 3.38Å; T135-D272 PolarHBondContact O-N 3.14Å
136C97.9Very high96.3Very high9 Ų926.4 Ų26.46%0.06114%0.137CC..THydrogen-bonded Turntrans-8514.9172.8-59.30000112.6D134 G168 P282 R284D134-C136 VanDerWaalsContact C-N 3.34Å; D134-C136 WeakPolarHBondContact OD1-CA 3.43Å; D134-C136 WeakPolarHBondContact OD1-CB 3.23Å; D134-C136 PolarHBondContact OD1-N 3.39Å; C136-G168 WeakPolarHBondContact SG-CA 3.38Å; C136-P282 HydrophobicContact CB-CB 3.73Å; C136-P282 HydrophobicContact CB-CG 3.93Å; C136-R284 HydrophobicContact CB-CG 3.66Å; C136-R284 PolarHBondContact O-NH2 3.41Å
137I96.9Very high96.7Very high8 Ų830.3 Ų30.34%0.04115%0.154CC..PPolyproline II helixtrans-80.5131.1170.2-63.6166000107.9D134 T135 E141 F142 L145 F399D134-I137 HydrophobicContact CB-CD1 3.98Å; D134-I137 HydrophobicContact CB-CG1 4.12Å; D134-I137 WeakPolarHBondContact O-CD1 3.22Å; T135-I137 PolarHBondContact O-N 2.81Å; I137-E141 HydrophobicContact CG2-CB 3.64Å; I137-F142 HydrophobicContact CB-CB 4.15Å; I137-F142 HydrophobicContact CB-CD2 4.04Å; I137-F142 HydrophobicContact CB-CG 4.44Å; I137-F142 HydrophobicContact CG2-CB 3.88Å; I137-F142 HydrophobicContact CG2-CD2 4.47Å; I137-L145 HydrophobicContact CD1-CD2 3.35Å; I137-F399 HydrophobicContact CD1-CD2 4.06Å; I137-F399 HydrophobicContact CD1-CE2 3.4Å; I137-F399 VanDerWaalsContact CD1-CE2 3.4Å; I137-F399 HydrophobicContact CD1-CZ 4.08Å; I137-F399 HydrophobicContact CG1-CE2 4.22Å; I137-F399 HydrophobicContact CG2-CD2 4.48Å
138E92.7Very high97.1Very high157 Ų15730.7 Ų30.773%0.73416%0.156SC*.PPolyproline II helixtrans-79.9155.9179.7-63.2-179.7177.800111.5E141 F142E138-E141 WeakPolarHBondContact O-CB 3.45Å; E138-E141 PolarHBondContact O-N 2.81Å; E138-E141 VanDerWaalsContact O-N 3.1Å; E138-F142 PolarHBondContact O-N 2.98Å; E138-F142 VanDerWaalsContact O-N 3.08Å
139E95.1Very high97.2Very high88 Ų8830.7 Ų30.741%0.41116%0.156SC..THydrogen-bonded Turntrans-75.6144.8171-65.8-67-179.300110.4T143 P271E139-T143 VanDerWaalsContact CD-OG1 3.27Å; E139-T143 PolarHBondContact OE1-OG1 3.04Å; E139-T143 WeakPolarHBondContact OE2-CB 3.41Å; E139-T143 PolarHBondContact OE2-N 3.27Å; E139-T143 PolarHBondContact OE2-OG1 2.88Å; E139-P271 HydrophobicContact CG-CG 4.35Å
140P95.3Very high97.2Very high83 Ų8333 Ų3354%0.53917%0.167SC..THydrogen-bonded Turncis-89.50.77.736.4-36.8000114.8F142 T143 H144P140-F142 VanDerWaalsContact C-N 3.26Å; P140-F142 PolarHBondContact O-N 2.76Å; P140-T143 PolarHBondContact O-N 3.39Å; P140-H144 PolarHBondContact O-N 2.89Å; P140-H144 PolarHBondContact O-ND1 2.87Å
141E95.9Very high97.1Very high56 Ų5635.9 Ų35.926%0.26218%0.182SC..Hα-helixtrans-60-38-177.5-70.9-68.8138.500112I137 E138 T143 H144 L145 S398 F399 A400I137-E141 HydrophobicContact CG2-CB 3.64Å; E138-E141 WeakPolarHBondContact O-CB 3.45Å; E138-E141 PolarHBondContact O-N 2.81Å; E138-E141 VanDerWaalsContact O-N 3.1Å; E141-T143 PolarHBondContact O-N 2.76Å; E141-H144 PolarHBondContact O-N 3.08Å; E141-L145 PolarHBondContact O-N 3.31Å; E141-S398 WeakPolarHBondContact OE1-CB 3.34Å; E141-S398 PolarHBondContact OE1-OG 3.15Å; E141-S398 WeakPolarHBondContact OE2-CA 3.43Å; E141-S398 WeakPolarHBondContact OE2-CB 3.41Å; E141-S398 PolarHBondContact OE2-OG 3.48Å; E141-F399 PolarHBondContact OE2-N 2.92Å; E141-A400 PolarHBondContact OE2-N 3.28Å
142F97.6Very high96.9Very high0 Ų035.9 Ų35.90%018%0.182CC..Hα-helixtrans-63.7-41179.2-169.6-133000112.2I133 T135 I137 E138 P140 L145 K146 L269 P271I133-F142 HydrophobicContact CG2-CE2 3.99Å; T135-F142 HydrophobicContact CG2-CZ 4.35Å; I137-F142 HydrophobicContact CB-CB 4.15Å; I137-F142 HydrophobicContact CB-CD2 4.04Å; I137-F142 HydrophobicContact CB-CG 4.44Å; I137-F142 HydrophobicContact CG2-CB 3.88Å; I137-F142 HydrophobicContact CG2-CD2 4.47Å; E138-F142 PolarHBondContact O-N 2.98Å; E138-F142 VanDerWaalsContact O-N 3.08Å; P140-F142 VanDerWaalsContact C-N 3.26Å; P140-F142 PolarHBondContact O-N 2.76Å; F142-L145 PolarHBondContact O-N 3.11Å; F142-K146 HydrophobicContact CD1-CD 4.42Å; F142-K146 HydrophobicContact CE1-CD 4.18Å; F142-K146 HydrophobicContact CZ-CD 4.39Å; F142-K146 WeakPolarHBondContact O-CG 3.45Å; F142-K146 PolarHBondContact O-N 3.25Å; F142-L269 HydrophobicContact CE1-CB 4.2Å; F142-L269 HydrophobicContact CZ-CB 3.99Å; F142-L269 HydrophobicContact CZ-CD1 4.47Å; F142-P271 HydrophobicContact CD1-CG 4.1Å
143T97.6Very high96.8Very high48 Ų4836 Ų3629%0.29418%0.183SC..Hα-helixtrans-58.1-47.7172.3-65.30000112.3E139 P140 E141 L145 K146 E147E139-T143 VanDerWaalsContact CD-OG1 3.27Å; E139-T143 PolarHBondContact OE1-OG1 3.04Å; E139-T143 WeakPolarHBondContact OE2-CB 3.41Å; E139-T143 PolarHBondContact OE2-N 3.27Å; E139-T143 PolarHBondContact OE2-OG1 2.88Å; P140-T143 PolarHBondContact O-N 3.39Å; E141-T143 PolarHBondContact O-N 2.76Å; T143-L145 VanDerWaalsContact C-N 3.3Å; T143-L145 PolarHBondContact O-N 3.45Å; T143-K146 WeakPolarHBondContact O-CB 3.26Å; T143-K146 PolarHBondContact O-N 2.98Å; T143-K146 VanDerWaalsContact O-N 3.14Å; T143-E147 HydrophobicContact CG2-CG 4.47Å; T143-E147 WeakPolarHBondContact O-CG 3.39Å; T143-E147 PolarHBondContact O-N 2.84Å
144H97.3Very high96.5Very high54 Ų5440 Ų4025%0.2521%0.211CC..Hα-helixtrans-64.5-34.5179.2-6691.9000113.1P140 E141 S148 A400P140-H144 PolarHBondContact O-N 2.89Å; P140-H144 PolarHBondContact O-ND1 2.87Å; E141-H144 PolarHBondContact O-N 3.08Å; H144-S148 WeakPolarHBondContact O-CB 3.45Å; H144-S148 PolarHBondContact O-N 3.43Å; H144-S148 PolarHBondContact O-OG 2.95Å; H144-A400 HydrophobicContact CB-CB 3.97Å; H144-A400 VanDerWaalsContact CG-CB 3.47Å
145L97.9Very high96.3Very high0 Ų042.8 Ų42.80%022%0.223CC..Hα-helixtrans-63.6-48172.4173.858.9000110.9I133 I137 E141 F142 T143 E147 S148 I149 F311 F399I133-L145 HydrophobicContact CG2-CD2 3.98Å; I137-L145 HydrophobicContact CD1-CD2 3.35Å; E141-L145 PolarHBondContact O-N 3.31Å; F142-L145 PolarHBondContact O-N 3.11Å; T143-L145 VanDerWaalsContact C-N 3.3Å; T143-L145 PolarHBondContact O-N 3.45Å; L145-E147 PolarHBondContact O-N 2.83Å; L145-S148 PolarHBondContact O-N 3.42Å; L145-I149 HydrophobicContact CD1-CD1 3.76Å; L145-I149 HydrophobicContact CD1-CG1 4.04Å; L145-I149 HydrophobicContact CG-CD1 3.99Å; L145-I149 WeakPolarHBondContact O-CG1 3.31Å; L145-I149 PolarHBondContact O-N 3.16Å; L145-F311 HydrophobicContact CD1-CB 3.98Å; L145-F311 HydrophobicContact CD1-CD1 3.37Å; L145-F311 HydrophobicContact CD1-CE1 4.03Å; L145-F311 HydrophobicContact CD1-CG 3.79Å; L145-F311 HydrophobicContact CD2-CB 3.88Å; L145-F311 HydrophobicContact CD2-CG 4.5Å; L145-F399 HydrophobicContact CB-CB 4.12Å; L145-F399 HydrophobicContact CB-CD1 4.38Å; L145-F399 HydrophobicContact CB-CD2 4.29Å; L145-F399 HydrophobicContact CB-CG 4.01Å; L145-F399 HydrophobicContact CD1-CD1 3.79Å; L145-F399 HydrophobicContact CD1-CE1 3.9Å; L145-F399 HydrophobicContact CD1-CG 4.28Å; L145-F399 HydrophobicContact CD1-CZ 4.49Å; L145-F399 HydrophobicContact CD2-CD2 4.43Å; L145-F399 HydrophobicContact CD2-CE1 4.47Å; L145-F399 HydrophobicContact CD2-CE2 4.25Å; L145-F399 HydrophobicContact CD2-CZ 4.26Å; L145-F399 HydrophobicContact CG-CD1 4.5Å
146K97.9Very high96.1Very high19 Ų1942.9 Ų42.98%0.08322%0.223CC..Hα-helixtrans-56.3-49.4176.8-72.3-175-74.4-178.20111.3F142 T143 S148 I149 Q150 L266 L269F142-K146 HydrophobicContact CD1-CD 4.42Å; F142-K146 HydrophobicContact CE1-CD 4.18Å; F142-K146 HydrophobicContact CZ-CD 4.39Å; F142-K146 WeakPolarHBondContact O-CG 3.45Å; F142-K146 PolarHBondContact O-N 3.25Å; T143-K146 WeakPolarHBondContact O-CB 3.26Å; T143-K146 PolarHBondContact O-N 2.98Å; T143-K146 VanDerWaalsContact O-N 3.14Å; K146-S148 VanDerWaalsContact C-N 3.33Å; K146-S148 PolarHBondContact O-N 3.48Å; K146-I149 PolarHBondContact O-N 2.97Å; K146-Q150 WeakPolarHBondContact O-CB 3.32Å; K146-Q150 VanDerWaalsContact O-CG 3.28Å; K146-Q150 WeakPolarHBondContact O-CG 3.47Å; K146-Q150 PolarHBondContact O-N 3.3Å; K146-L266 WeakPolarHBondContact CD-O 3.46Å; K146-L269 HydrophobicContact CD-CB 4.12Å; K146-L269 PolarHBondContact NZ-O 2.87Å
147E96.7Very high95.7Very high101 Ų10143.9 Ų43.947%0.47223%0.23SC..Hα-helixtrans-59.6-41.8177.5-71175.6172.800112.3T143 L145 Q150 L151T143-E147 HydrophobicContact CG2-CG 4.47Å; T143-E147 WeakPolarHBondContact O-CG 3.39Å; T143-E147 PolarHBondContact O-N 2.84Å; L145-E147 PolarHBondContact O-N 2.83Å; E147-Q150 PolarHBondContact O-N 3.44Å; E147-L151 WeakPolarHBondContact O-CB 3.25Å; E147-L151 PolarHBondContact O-N 3.3Å
148S97.3Very high95.5Very high9 Ų947.1 Ų47.16%0.06325%0.251CS..Hα-helixtrans-62.9-43.4177.2-63.90000111.6H144 L145 K146 S152 Y408H144-S148 WeakPolarHBondContact O-CB 3.45Å; H144-S148 PolarHBondContact O-N 3.43Å; H144-S148 PolarHBondContact O-OG 2.95Å; L145-S148 PolarHBondContact O-N 3.42Å; K146-S148 VanDerWaalsContact C-N 3.33Å; K146-S148 PolarHBondContact O-N 3.48Å; S148-S152 PolarHBondContact O-N 3Å; S148-Y408 WeakPolarHBondContact O-CE1 3.49Å
149I97.7Very high95.3Very high1 Ų143.9 Ų43.91%0.00524%0.236CC..Hα-helixtrans-66.8-46.9177.3-66.4173000110.3F131 I133 L145 K146 L151 S152 L153 L266 F311F131-I149 HydrophobicContact CD1-CG2 3.78Å; F131-I149 HydrophobicContact CE1-CG2 4Å; F131-I149 HydrophobicContact CG-CG2 4.32Å; I133-I149 HydrophobicContact CD1-CD1 3.47Å; I133-I149 VanDerWaalsContact CD1-CD1 3.47Å; I133-I149 HydrophobicContact CG1-CD1 3.8Å; L145-I149 HydrophobicContact CD1-CD1 3.76Å; L145-I149 HydrophobicContact CD1-CG1 4.04Å; L145-I149 HydrophobicContact CG-CD1 3.99Å; L145-I149 WeakPolarHBondContact O-CG1 3.31Å; L145-I149 PolarHBondContact O-N 3.16Å; K146-I149 PolarHBondContact O-N 2.97Å; I149-L151 VanDerWaalsContact C-N 3.31Å; I149-L151 PolarHBondContact O-N 3.43Å; I149-S152 WeakPolarHBondContact CA-OG 3.45Å; I149-S152 WeakPolarHBondContact O-CA 3.28Å; I149-S152 WeakPolarHBondContact O-CB 3.06Å; I149-S152 PolarHBondContact O-N 2.99Å; I149-S152 PolarHBondContact O-OG 3.48Å; I149-L153 PolarHBondContact O-N 3.38Å; I149-L266 HydrophobicContact CG2-CD1 3.72Å; I149-L266 HydrophobicContact CG2-CD2 4.09Å; I149-F311 HydrophobicContact CD1-CD1 4.4Å; I149-F311 HydrophobicContact CD1-CD2 3.87Å; I149-F311 HydrophobicContact CD1-CE1 4.33Å; I149-F311 HydrophobicContact CD1-CE2 3.84Å; I149-F311 HydrophobicContact CD1-CG 4.16Å; I149-F311 HydrophobicContact CD1-CZ 4.06Å; I149-F311 HydrophobicContact CG1-CE1 4.14Å; I149-F311 HydrophobicContact CG1-CE2 4.15Å; I149-F311 HydrophobicContact CG1-CZ 3.89Å
150Q96.6Very high95.2Very high49 Ų4939.7 Ų39.723%0.22922%0.216CC..Hα-helixtrans-56.9-45.1176.8-74.3175-39.900111.8K146 E147 S152 L153 T263 L266 T267K146-Q150 WeakPolarHBondContact O-CB 3.32Å; K146-Q150 VanDerWaalsContact O-CG 3.28Å; K146-Q150 WeakPolarHBondContact O-CG 3.47Å; K146-Q150 PolarHBondContact O-N 3.3Å; E147-Q150 PolarHBondContact O-N 3.44Å; Q150-S152 VanDerWaalsContact C-N 3.28Å; Q150-S152 PolarHBondContact O-N 2.81Å; Q150-L153 WeakPolarHBondContact O-CB 3.21Å; Q150-L153 PolarHBondContact O-N 2.99Å; Q150-T263 PolarHBondContact NE2-O 3.39Å; Q150-L266 HydrophobicContact CG-CB 3.97Å; Q150-L266 HydrophobicContact CG-CD1 3.83Å; Q150-T267 PolarHBondContact NE2-OG1 3.33Å
151L94.8Very high95.2Very high60 Ų6037.2 Ų37.231%0.31420%0.197SC..Hα-helixtrans-59.2-41.4173.7-179.964.8000111.4E147 I149 L153 S154 F155 R409E147-L151 WeakPolarHBondContact O-CB 3.25Å; E147-L151 PolarHBondContact O-N 3.3Å; I149-L151 VanDerWaalsContact C-N 3.31Å; I149-L151 PolarHBondContact O-N 3.43Å; L151-L153 VanDerWaalsContact C-N 3.29Å; L151-L153 PolarHBondContact O-N 3.19Å; L151-S154 WeakPolarHBondContact O-CB 3.18Å; L151-S154 PolarHBondContact O-N 2.83Å; L151-S154 PolarHBondContact O-OG 3.04Å; L151-F155 HydrophobicContact CD1-CE1 4.26Å; L151-F155 HydrophobicContact CD1-CZ 3.99Å; L151-F155 HydrophobicContact CD2-CZ 4.15Å; L151-F155 HydrophobicContact CG-CE1 4.4Å; L151-F155 HydrophobicContact CG-CE2 4.13Å; L151-F155 HydrophobicContact CG-CZ 3.68Å; L151-R409 HydrophobicContact CD2-CG 4.31Å; L151-R409 VanDerWaalsContact CD2-CZ 3.48Å; L151-R409 VanDerWaalsContact CD2-NH2 3.33Å
152S95.4Very high95.2Very high1 Ų134.5 Ų34.51%0.00719%0.185CC..Hα-helixtrans-66-29.1178.368.80000114.3S148 I149 Q150 S154 F155 Y408 F412S148-S152 PolarHBondContact O-N 3Å; I149-S152 WeakPolarHBondContact CA-OG 3.45Å; I149-S152 WeakPolarHBondContact O-CA 3.28Å; I149-S152 WeakPolarHBondContact O-CB 3.06Å; I149-S152 PolarHBondContact O-N 2.99Å; I149-S152 PolarHBondContact O-OG 3.48Å; Q150-S152 VanDerWaalsContact C-N 3.28Å; Q150-S152 PolarHBondContact O-N 2.81Å; S152-S154 VanDerWaalsContact C-N 3.25Å; S152-S154 PolarHBondContact O-N 3.42Å; S152-F155 WeakPolarHBondContact O-CB 3.35Å; S152-F155 PolarHBondContact O-N 3.16Å; S152-Y408 WeakPolarHBondContact CB-OH 3.27Å; S152-Y408 PolarHBondContact OG-OH 3.3Å; S152-F412 VanDerWaalsContact CB-CE2 3.44Å
153L95.8Very high95.2Very high3 Ų334.6 Ų34.62%0.01619%0.185CC..Hα-helixtrans-60.5-37.5174-66179.3000111.5F131 I149 Q150 L151 F155 L156 M255 I262 L266F131-L153 HydrophobicContact CE2-CD2 3.66Å; F131-L153 HydrophobicContact CZ-CD2 3.79Å; I149-L153 PolarHBondContact O-N 3.38Å; Q150-L153 WeakPolarHBondContact O-CB 3.21Å; Q150-L153 PolarHBondContact O-N 2.99Å; L151-L153 VanDerWaalsContact C-N 3.29Å; L151-L153 PolarHBondContact O-N 3.19Å; L153-F155 PolarHBondContact O-N 3.14Å; L153-L156 HydrophobicContact CD2-CD1 4.01Å; L153-L156 WeakPolarHBondContact O-CB 3.47Å; L153-L156 PolarHBondContact O-N 2.88Å; L153-L156 VanDerWaalsContact O-N 3.11Å; L153-M255 HydrophobicContact CB-CE 3.76Å; L153-M255 HydrophobicContact CD1-CE 4.38Å; L153-M255 HydrophobicContact CD2-CE 4.33Å; L153-M255 HydrophobicContact CD2-SD 4.22Å; L153-M255 HydrophobicContact CG-CE 4.39Å; L153-I262 HydrophobicContact CD1-CD1 4.49Å; L153-I262 HydrophobicContact CD1-CG1 4.35Å; L153-I262 HydrophobicContact CD1-CG2 3.7Å; L153-I262 HydrophobicContact CD2-CD1 4.27Å; L153-L266 HydrophobicContact CD1-CD1 3.52Å; L153-L266 HydrophobicContact CG-CD1 4.44Å
154S93.7Very high95.2Very high85 Ų8532.4 Ų32.459%0.59417%0.172SC*.THydrogen-bonded Turntrans-64.2-18.717679.50000113.9L151 S152L151-S154 WeakPolarHBondContact O-CB 3.18Å; L151-S154 PolarHBondContact O-N 2.83Å; L151-S154 PolarHBondContact O-OG 3.04Å; S152-S154 VanDerWaalsContact C-N 3.25Å; S152-S154 PolarHBondContact O-N 3.42Å
155F93.7Very high95.3Very high57 Ų5729.9 Ų29.925%0.2516%0.16CC..THydrogen-bonded Turntrans-84.1-21.5177.4-54.4-31.7000112.8L151 S152 L153 R409 F412 K414 F420L151-F155 HydrophobicContact CD1-CE1 4.26Å; L151-F155 HydrophobicContact CD1-CZ 3.99Å; L151-F155 HydrophobicContact CD2-CZ 4.15Å; L151-F155 HydrophobicContact CG-CE1 4.4Å; L151-F155 HydrophobicContact CG-CE2 4.13Å; L151-F155 HydrophobicContact CG-CZ 3.68Å; S152-F155 WeakPolarHBondContact O-CB 3.35Å; S152-F155 PolarHBondContact O-N 3.16Å; L153-F155 PolarHBondContact O-N 3.14Å; F155-R409 HydrophobicContact CE2-CB 4.46Å; F155-R409 HydrophobicContact CE2-CG 4.12Å; F155-R409 HydrophobicContact CZ-CG 4.43Å; F155-F412 HydrophobicContact CB-CB 3.98Å; F155-F412 HydrophobicContact CB-CG 4.3Å; F155-F412 HydrophobicContact CD2-CB 3.86Å; F155-F412 HydrophobicContact CD2-CD2 4.01Å; F155-F412 HydrophobicContact CD2-CG 4.03Å; F155-F412 HydrophobicContact CG-CB 4.3Å; F155-K414 WeakPolarHBondContact O-CE 3.4Å; F155-K414 PolarHBondContact O-NZ 3.17Å; F155-F420 WeakPolarHBondContact O-CZ 3.4Å
156L93.8Very high95.3Very high13 Ų1330.1 Ų30.17%0.06816%0.162CC..SBendtrans-70.3138.3-176.7-60.3-176.4000111.3F129 F131 L153 A160 V162 M255 F412 F420F129-L156 HydrophobicContact CD2-CD1 4.39Å; F129-L156 HydrophobicContact CD2-CD2 3.79Å; F129-L156 HydrophobicContact CE2-CD2 3.66Å; F129-L156 HydrophobicContact CG-CD2 4.29Å; F129-L156 HydrophobicContact CZ-CD2 4.05Å; F131-L156 HydrophobicContact CE2-CD1 4.44Å; F131-L156 HydrophobicContact CZ-CD1 4.31Å; L153-L156 HydrophobicContact CD2-CD1 4.01Å; L153-L156 WeakPolarHBondContact O-CB 3.47Å; L153-L156 PolarHBondContact O-N 2.88Å; L153-L156 VanDerWaalsContact O-N 3.11Å; L156-A160 HydrophobicContact CB-CB 4.25Å; L156-V162 HydrophobicContact CD1-CG1 3.43Å; L156-V162 VanDerWaalsContact CD1-CG1 3.43Å; L156-M255 HydrophobicContact CB-CG 4.46Å; L156-M255 HydrophobicContact CD1-SD 4.4Å; L156-F412 HydrophobicContact CD2-CD1 4.06Å; L156-F412 HydrophobicContact CD2-CE1 3.79Å; L156-F420 HydrophobicContact CD2-CE2 4.1Å; L156-F420 HydrophobicContact CD2-CZ 3.99Å
157P91.2Very high95.3Very high29 Ų2929.2 Ų29.219%0.18816%0.158CC..  trans-66.6153.2173.327-32.2000110.9H159 A160P157-H159 PolarHBondContact O-N 3.1Å; P157-A160 HydrophobicContact CG-CB 3.79Å; P157-A160 WeakPolarHBondContact O-CB 3.23Å; P157-A160 PolarHBondContact O-N 3.1Å
158P91.1Very high95.4Very high76 Ų7624.4 Ų24.449%0.49414%0.135SC..THydrogen-bonded Turntrans-55.9-31.6-177.3-26.534000114.2M255 E256P158-M255 PolarHBondContact O-N 3.5Å; P158-E256 HydrophobicContact CB-CB 3.92Å; P158-E256 WeakPolarHBondContact O-CB 3.47Å; P158-E256 PolarHBondContact O-N 3.46Å
159H89.4Confident95.5Very high90 Ų9026.9 Ų26.942%0.41715%0.145SC..THydrogen-bonded Turntrans-87.8-3.4179.659.4-97000114.3P126 P157 F161P126-H159 WeakPolarHBondContact CB-O 3.32Å; P157-H159 PolarHBondContact O-N 3.1Å; H159-F161 WeakPolarHBondContact O-CD2 3.46Å
160A93Very high95.5Very high0 Ų029 Ų290%016%0.155CC..  trans-64.8141.5174.100000109.4P127 F129 L156 P157 P254 M255P127-A160 HydrophobicContact CG-CB 4.3Å; F129-A160 HydrophobicContact CD2-CB 4.4Å; F129-A160 HydrophobicContact CE2-CB 4.33Å; L156-A160 HydrophobicContact CB-CB 4.25Å; P157-A160 HydrophobicContact CG-CB 3.79Å; P157-A160 WeakPolarHBondContact O-CB 3.23Å; P157-A160 PolarHBondContact O-N 3.1Å; A160-P254 CarbonylContact O-C 3.59Å; A160-P254 WeakPolarHBondContact O-CA 3.46Å; A160-M255 PolarHBondContact O-N 2.66Å
161F94.4Very high95.6Very high30 Ų3026.7 Ų26.713%0.13214%0.144CC..EExtended strand (participates in β ladder)trans-92135.6176.8-84.5-120.9000109P126 P127 I128 F129 H159 L246 I252 Q253 P254P126-F161 HydrophobicContact CB-CD2 4.18Å; P126-F161 HydrophobicContact CG-CD2 3.47Å; P126-F161 VanDerWaalsContact CG-CD2 3.47Å; P126-F161 HydrophobicContact CG-CE2 3.51Å; P127-F161 PolarHBondContact O-N 2.88Å; I128-F161 CarbonylContact C-O 3.48Å; I128-F161 WeakPolarHBondContact CA-O 3.17Å; I128-F161 HydrophobicContact CB-CB 4.25Å; I128-F161 HydrophobicContact CG1-CB 4Å; I128-F161 HydrophobicContact CG2-CB 4.04Å; F129-F161 PolarHBondContact N-O 2.7Å; H159-F161 WeakPolarHBondContact O-CD2 3.46Å; F161-L246 HydrophobicContact CE1-CD1 4.21Å; F161-L246 HydrophobicContact CE2-CD1 3.96Å; F161-L246 HydrophobicContact CZ-CD1 3.78Å; F161-I252 HydrophobicContact CB-CG2 3.9Å; F161-I252 HydrophobicContact CD1-CG2 3.98Å; F161-I252 HydrophobicContact CG-CG2 4.46Å; F161-Q253 CarbonylContact C-O 3.59Å; F161-Q253 WeakPolarHBondContact CA-O 3.39Å; F161-P254 HydrophobicContact CD2-CG 4.38Å; F161-P254 HydrophobicContact CE1-CG 4.12Å; F161-P254 HydrophobicContact CE2-CB 4.31Å; F161-P254 HydrophobicContact CE2-CG 3.8Å; F161-P254 HydrophobicContact CZ-CG 3.67Å
162V96.4Very high95.8Very high0 Ų026.2 Ų26.20%014%0.141CC..EExtended strand (participates in β ladder)trans-122.8145.8178.4-63.50000110.5F129 F131 L156 L176 I252 Q253 M255 C258 I262F129-V162 CarbonylContact O-C 3.57Å; F129-V162 VanDerWaalsContact O-CA 3.23Å; F129-V162 WeakPolarHBondContact O-CA 3.3Å; F131-V162 HydrophobicContact CE2-CB 4.47Å; F131-V162 HydrophobicContact CE2-CG1 4.21Å; L156-V162 HydrophobicContact CD1-CG1 3.43Å; L156-V162 VanDerWaalsContact CD1-CG1 3.43Å; V162-L176 HydrophobicContact CG2-CD1 4.09Å; V162-L176 VanDerWaalsContact O-CD1 3.24Å; V162-L176 WeakPolarHBondContact O-CD1 3.07Å; V162-I252 CarbonylContact O-C 3.51Å; V162-I252 VanDerWaalsContact O-CA 3.26Å; V162-I252 WeakPolarHBondContact O-CA 3.25Å; V162-Q253 PolarHBondContact N-O 2.91Å; V162-Q253 PolarHBondContact O-N 3.14Å; V162-M255 HydrophobicContact CG1-SD 3.93Å; V162-M255 HydrophobicContact CG2-SD 4.05Å; V162-C258 WeakPolarHBondContact CG2-SG 3.4Å; V162-I262 HydrophobicContact CB-CD1 4.22Å; V162-I262 HydrophobicContact CG2-CD1 3.96Å
163G97Very high95.9Very high1 Ų126.2 Ų26.21%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-135.7150.3170.900000110.2F129 I130 F131 F251F129-G163 PolarHBondContact O-N 3.04Å; I130-G163 CarbonylContact C-O 3.58Å; I130-G163 WeakPolarHBondContact CA-O 3.47Å; F131-G163 PolarHBondContact N-O 3.05Å; G163-F251 WeakPolarHBondContact CA-O 3.34Å
164L98.3Very high95.9Very high2 Ų226.8 Ų26.81%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-126.5124.1179.9179.764.4000110.7F131 I133 T166 H174 L176 I262 L265 L266F131-L164 HydrophobicContact CB-CD1 4.09Å; I133-L164 HydrophobicContact CD1-CD1 3.62Å; I133-L164 HydrophobicContact CG1-CD1 4.21Å; L164-T166 HydrophobicContact CD1-CG2 4.15Å; L164-T166 HydrophobicContact CG-CG2 4.3Å; L164-H174 HydrophobicContact CB-CB 4.2Å; L164-H174 HydrophobicContact CD2-CB 4.28Å; L164-H174 HydrophobicContact CG-CB 4.34Å; L164-H174 PolarHBondContact O-CD2 3.4Å; L164-H174 PolarHBondContact O-N 2.86Å; L164-L176 HydrophobicContact CB-CD2 4.36Å; L164-I262 HydrophobicContact CB-CD1 4.48Å; L164-L265 HydrophobicContact CD2-CB 4.24Å; L164-L265 HydrophobicContact CD2-CD1 4.38Å; L164-L266 HydrophobicContact CD1-CD2 4.35Å
165I98.7Very high96Very high1 Ų123.7 Ų23.71%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-124132.4170.7-61.9175.2000107.1I130 F131 V132 I133 V171 H172 V173 I292 A293I130-I165 HydrophobicContact CG2-CD1 3.97Å; I130-I165 HydrophobicContact CG2-CG1 4.19Å; F131-I165 PolarHBondContact O-N 3.05Å; F131-I165 VanDerWaalsContact O-O 3.12Å; V132-I165 CarbonylContact C-O 3.58Å; V132-I165 VanDerWaalsContact CA-O 3.25Å; V132-I165 WeakPolarHBondContact CA-O 3.29Å; V132-I165 HydrophobicContact CG1-CB 4.39Å; V132-I165 HydrophobicContact CG1-CG2 4.19Å; V132-I165 HydrophobicContact CG2-CB 4.24Å; V132-I165 HydrophobicContact CG2-CD1 4.5Å; I133-I165 PolarHBondContact N-O 3.28Å; I165-V171 HydrophobicContact CG2-CG1 3.63Å; I165-H172 CarbonylContact C-O 3.53Å; I165-H172 VanDerWaalsContact CA-O 3.24Å; I165-H172 WeakPolarHBondContact CA-O 3.41Å; I165-V173 HydrophobicContact CG1-CG1 4.31Å; I165-V173 HydrophobicContact CG1-CG2 4.31Å; I165-I292 HydrophobicContact CD1-CG2 4.26Å; I165-A293 HydrophobicContact CD1-CB 3.73Å
166T98.7Very high96Very high6 Ų621.1 Ų21.14%0.03711%0.108CC..EExtended strand (participates in β ladder)trans-120.4149.2171.966.20000109.8I133 T135 L164 H172 H174 L269I133-T166 HydrophobicContact CB-CG2 4.24Å; I133-T166 CarbonylContact O-C 3.48Å; I133-T166 VanDerWaalsContact O-CA 3.31Å; I133-T166 WeakPolarHBondContact O-CA 3.49Å; T135-T166 HydrophobicContact CG2-CG2 4.49Å; L164-T166 HydrophobicContact CD1-CG2 4.15Å; L164-T166 HydrophobicContact CG-CG2 4.3Å; T166-H172 PolarHBondContact N-O 2.9Å; T166-H172 PolarHBondContact O-N 3.29Å; T166-H174 WeakPolarHBondContact CG2-NE2 3.42Å; T166-H174 PolarHBondContact OG1-NE2 2.79Å; T166-L269 HydrophobicContact CG2-CD1 3.84Å; T166-L269 HydrophobicContact CG2-CD2 3.84Å
167F98.7Very high95.6Very high0 Ų024.9 Ų24.90%013%0.125CC..EExtended strand (participates in β ladder)trans-145.4139.7-177.969.7-85.6000112.9V132 I133 D134 T135 M170 V171 V286 A289 L310 L312V132-F167 HydrophobicContact CG1-CD1 3.75Å; V132-F167 HydrophobicContact CG1-CE1 3.81Å; I133-F167 VanDerWaalsContact C-CE1 3.43Å; I133-F167 VanDerWaalsContact O-CD1 3.28Å; I133-F167 WeakPolarHBondContact O-CD1 3.4Å; I133-F167 PolarHBondContact O-N 3.4Å; D134-F167 CarbonylContact C-O 3.6Å; D134-F167 WeakPolarHBondContact CA-O 3.33Å; D134-F167 HydrophobicContact CB-CE1 4.05Å; D134-F167 HydrophobicContact CB-CE2 3.86Å; D134-F167 HydrophobicContact CB-CZ 3.5Å; D134-F167 VanDerWaalsContact N-CE1 3.33Å; T135-F167 PolarHBondContact N-O 3.21Å; T135-F167 PolarHBondContact OG1-O 2.83Å; F167-M170 WeakPolarHBondContact CA-O 3.1Å; F167-V171 HydrophobicContact CB-CB 4.48Å; F167-V171 HydrophobicContact CB-CG1 4.35Å; F167-V171 HydrophobicContact CB-CG2 4.01Å; F167-V286 HydrophobicContact CE2-CB 4.45Å; F167-V286 HydrophobicContact CE2-CG2 3.79Å; F167-V286 HydrophobicContact CZ-CG2 4.29Å; F167-A289 HydrophobicContact CB-CB 3.77Å; F167-A289 HydrophobicContact CD1-CB 3.71Å; F167-A289 HydrophobicContact CD2-CB 4.4Å; F167-A289 HydrophobicContact CE1-CB 4.44Å; F167-A289 HydrophobicContact CG-CB 3.69Å; F167-L310 HydrophobicContact CE1-CD1 3.6Å; F167-L310 HydrophobicContact CZ-CD1 3.81Å; F167-L312 HydrophobicContact CE2-CD1 4.3Å; F167-L312 HydrophobicContact CZ-CD1 4Å
168G98.2Very high94.7Very high0 Ų024.2 Ų24.20%012%0.122CC..SBendtrans-139.3-114.816200000107.4T135 C136 M170 L283 S285T135-G168 PolarHBondContact OG1-N 2.91Å; C136-G168 WeakPolarHBondContact SG-CA 3.38Å; G168-M170 VanDerWaalsContact C-N 3.25Å; G168-M170 PolarHBondContact N-O 2.75Å; G168-M170 PolarHBondContact O-N 3.13Å; G168-L283 CarbonylContact C-O 3.36Å; G168-L283 VanDerWaalsContact O-O 3.06Å; G168-S285 WeakPolarHBondContact O-CB 3.19Å; G168-S285 PolarHBondContact O-N 2.97Å; G168-S285 VanDerWaalsContact O-N 3.08Å; G168-S285 PolarHBondContact O-OG 3.17Å
169K98.2Very high94Very high61 Ų6123 Ų2327%0.26512%0.123SC..SBendtrans-65.9-31.9171.2-174.8-176.4-178.5179.30112.3G189 D272 W274 L283 S285 Q318K169-G189 WeakPolarHBondContact O-CA 3.14Å; K169-D272 PolarHBondContact N-OD1 3.45Å; K169-D272 PolarHBondContact N-OD2 3.04Å; K169-W274 HydrophobicContact CB-CB 4.48Å; K169-W274 HydrophobicContact CB-CG 3.97Å; K169-W274 HydrophobicContact CD-CB 4.07Å; K169-W274 HydrophobicContact CD-CD2 3.5Å; K169-W274 HydrophobicContact CD-CE3 4Å; K169-W274 HydrophobicContact CD-CG 3.51Å; K169-W274 HydrophobicContact CD-CZ2 4.48Å; K169-W274 HydrophobicContact CG-CG 4.4Å; K169-L283 VanDerWaalsContact CA-O 3.3Å; K169-L283 WeakPolarHBondContact CA-O 3.46Å; K169-L283 HydrophobicContact CB-CB 4.03Å; K169-L283 HydrophobicContact CD-CD1 3.89Å; K169-L283 HydrophobicContact CG-CB 4.06Å; K169-L283 HydrophobicContact CG-CD1 3.85Å; K169-L283 PolarHBondContact N-O 3.06Å; K169-S285 PolarHBondContact O-OG 2.87Å; K169-Q318 PolarHBondContact O-NE2 3.14Å
170M98.4Very high93.6Very high45 Ų4525.5 Ų25.522%0.22215%0.147CC..EExtended strand (participates in β ladder)trans-118.8159.4176.2-57.8-62.9-76.200109F167 G168 V186 F187 K188 W274F167-M170 WeakPolarHBondContact CA-O 3.1Å; G168-M170 VanDerWaalsContact C-N 3.25Å; G168-M170 PolarHBondContact N-O 2.75Å; G168-M170 PolarHBondContact O-N 3.13Å; M170-V186 HydrophobicContact CB-CG1 3.84Å; M170-V186 HydrophobicContact CE-CG1 3.88Å; M170-V186 HydrophobicContact CG-CG1 4.37Å; M170-F187 WeakPolarHBondContact CE-O 3.09Å; M170-K188 HydrophobicContact CE-CB 4.4Å; M170-W274 HydrophobicContact CG-CZ2 4.37Å
171V98.6Very high93.3Very high0 Ų031.1 Ų31.10%018%0.176CC..EExtended strand (participates in β ladder)trans-109.4129.2176.4-175.30000109.1I165 F167 V186 F187 T288 A289 I292I165-V171 HydrophobicContact CG2-CG1 3.63Å; F167-V171 HydrophobicContact CB-CB 4.48Å; F167-V171 HydrophobicContact CB-CG1 4.35Å; F167-V171 HydrophobicContact CB-CG2 4.01Å; V171-V186 CarbonylContact O-C 3.53Å; V171-V186 WeakPolarHBondContact O-CA 3.47Å; V171-F187 HydrophobicContact CB-CB 4.31Å; V171-F187 PolarHBondContact N-O 2.89Å; V171-F187 PolarHBondContact O-N 2.78Å; V171-T288 HydrophobicContact CG2-CG2 3.77Å; V171-A289 HydrophobicContact CG1-CB 4.07Å; V171-A289 HydrophobicContact CG2-CB 4.08Å; V171-I292 HydrophobicContact CB-CD1 3.81Å; V171-I292 HydrophobicContact CG1-CD1 3.66Å; V171-I292 HydrophobicContact CG2-CD1 4.27Å
172H98.3Very high93Very high51 Ų5132.5 Ų32.524%0.23619%0.189CC..EExtended strand (participates in β ladder)trans-112123.8-178.7-68.2-109000109.7I165 T166 S184 W185I165-H172 CarbonylContact C-O 3.53Å; I165-H172 VanDerWaalsContact CA-O 3.24Å; I165-H172 WeakPolarHBondContact CA-O 3.41Å; T166-H172 PolarHBondContact N-O 2.9Å; T166-H172 PolarHBondContact O-N 3.29Å; H172-S184 PolarHBondContact ND1-OG 3.35Å; H172-W185 CarbonylContact C-O 3.55Å; H172-W185 WeakPolarHBondContact CA-O 3.27Å
173V98Very high92.9Very high1 Ų137.9 Ų37.91%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-103.2113170.6-172.30000107.7I165 S184 W185 F187 L202 F251 I292 L296I165-V173 HydrophobicContact CG1-CG1 4.31Å; I165-V173 HydrophobicContact CG1-CG2 4.31Å; V173-S184 CarbonylContact O-C 3.59Å; V173-S184 VanDerWaalsContact O-CA 3.26Å; V173-S184 WeakPolarHBondContact O-CA 3.28Å; V173-W185 HydrophobicContact CB-CB 4.41Å; V173-W185 PolarHBondContact N-O 2.79Å; V173-W185 PolarHBondContact O-N 2.87Å; V173-F187 HydrophobicContact CB-CE2 4.3Å; V173-F187 HydrophobicContact CG2-CD2 3.92Å; V173-F187 HydrophobicContact CG2-CE2 3.59Å; V173-L202 HydrophobicContact CG1-CD1 4.28Å; V173-F251 HydrophobicContact CB-CD1 4.35Å; V173-F251 HydrophobicContact CG1-CB 4.05Å; V173-F251 HydrophobicContact CG1-CD1 3.54Å; V173-F251 HydrophobicContact CG1-CE1 4.18Å; V173-F251 HydrophobicContact CG1-CG 3.88Å; V173-I292 HydrophobicContact CG2-CG2 3.51Å; V173-L296 HydrophobicContact CG1-CD2 4.35Å
174H96.9Very high92.8Very high14 Ų1440 Ų407%0.06523%0.227CC..EExtended strand (participates in β ladder)trans-84.9135.4-171.1-64.2-94.7000111.6L164 T166 L265L164-H174 HydrophobicContact CB-CB 4.2Å; L164-H174 HydrophobicContact CD2-CB 4.28Å; L164-H174 HydrophobicContact CG-CB 4.34Å; L164-H174 PolarHBondContact O-CD2 3.4Å; L164-H174 PolarHBondContact O-N 2.86Å; T166-H174 WeakPolarHBondContact CG2-NE2 3.42Å; T166-H174 PolarHBondContact OG1-NE2 2.79Å; H174-L265 HydrophobicContact CB-CD1 4.4Å
175E95.3Very high92.6Very high20 Ų2044.6 Ų44.69%0.09324%0.244CC..  trans-80.1117.9172.4-68.8-174.5-173.500109.2E177 A178 K183 R250 F251E175-E177 VanDerWaalsContact C-N 3.32Å; E175-A178 HydrophobicContact CB-CB 4.32Å; E175-K183 HydrophobicContact CB-CB 4.23Å; E175-K183 HydrophobicContact CG-CB 4.37Å; E175-K183 PolarHBondContact N-O 3.04Å; E175-R250 IonicContact OE1-NH1 2.75Å; E175-F251 HydrophobicContact CG-CD1 3.94Å; E175-F251 HydrophobicContact CG-CE1 3.48Å; E175-F251 VanDerWaalsContact CG-CE1 3.48Å; E175-F251 HydrophobicContact CG-CZ 4.18Å
176L93.4Very high92.6Very high3 Ų348.2 Ų48.22%0.01627%0.266CS..THydrogen-bonded Turntrans-95.213.9-178.1-62.1-176.7000113.3V162 L164 R250 Q253 C258 L261 I262 L265V162-L176 HydrophobicContact CG2-CD1 4.09Å; V162-L176 VanDerWaalsContact O-CD1 3.24Å; V162-L176 WeakPolarHBondContact O-CD1 3.07Å; L164-L176 HydrophobicContact CB-CD2 4.36Å; L176-R250 PolarHBondContact N-O 3.38Å; L176-Q253 HydrophobicContact CB-CB 4.1Å; L176-Q253 HydrophobicContact CB-CG 4.02Å; L176-C258 HydrophobicContact CB-CB 4.03Å; L176-C258 VanDerWaalsContact O-CB 3.27Å; L176-C258 WeakPolarHBondContact O-CB 3.37Å; L176-L261 VanDerWaalsContact C-CD2 3.45Å; L176-L261 WeakPolarHBondContact O-CD2 3.38Å; L176-I262 HydrophobicContact CD1-CD1 4.23Å; L176-I262 HydrophobicContact CD2-CB 4.24Å; L176-I262 HydrophobicContact CD2-CD1 4.44Å; L176-I262 HydrophobicContact CD2-CG1 4.24Å; L176-L265 HydrophobicContact CD2-CD1 3.82Å
177E85.9Confident92.6Very high93 Ų9348.2 Ų48.244%0.43527%0.266SS..THydrogen-bonded Turntrans-129.122.1170.7-159.8-176.9163.600110.2E175 Y248 Q253E175-E177 VanDerWaalsContact C-N 3.32Å; E177-Y248 VanDerWaalsContact CD-OH 3.23Å; E177-Y248 PolarHBondContact OE1-OH 2.9Å; E177-Y248 WeakPolarHBondContact OE2-CE2 3.29Å; E177-Y248 PolarHBondContact OE2-OH 3.46Å; E177-Q253 HydrophobicContact CB-CG 4.33Å; E177-Q253 PolarHBondContact OE2-NE2 3.48Å
178A71.4Confident92.5Very high15 Ų1554.1 Ų54.112%0.12429%0.292CS..  trans-63.8147.2174.500000109.2E175 I181 K183 L261E175-A178 HydrophobicContact CB-CB 4.32Å; A178-I181 WeakPolarHBondContact CB-O 3.5Å; A178-K183 HydrophobicContact CB-CB 4.26Å; A178-K183 HydrophobicContact CB-CD 4.46Å; A178-K183 HydrophobicContact CB-CG 4.34Å; A178-L261 HydrophobicContact CB-CD2 4.49Å
179G77.4Confident92.5Very high49 Ų4954.1 Ų54.151%0.50529%0.292SS..  trans-67.3-146.3171.800000111.4I181G179-I181 PolarHBondContact O-N 2.96Å
180P80.9Confident92.5Very high143 Ų14354.4 Ų54.493%0.92930%0.299SS*.SBendtrans-67.52.7-176.530.4-37.1000114.8
181I85.8Confident92.5Very high119 Ų11956.1 Ų56.161%0.6131%0.305SS*.SBendtrans-125.5122.2-177-58.6173.9000108.3A178 G179 K183A178-I181 WeakPolarHBondContact CB-O 3.5Å; G179-I181 PolarHBondContact O-N 2.96Å; I181-K183 PolarHBondContact O-N 2.86Å
182S88.8Confident92.4Very high58 Ų5859.7 Ų59.741%0.40632%0.324SS..  trans-57.9126.7172.9-60.80000111.6L265S182-L265 WeakPolarHBondContact OG-CD2 3.17Å
183K93.4Very high92.4Very high113 Ų11357.9 Ų57.949%0.49132%0.315SS..  trans-124.9139.9179.2-67.4177.3-173.11760110.5E175 A178 I181E175-K183 HydrophobicContact CB-CB 4.23Å; E175-K183 HydrophobicContact CG-CB 4.37Å; E175-K183 PolarHBondContact N-O 3.04Å; A178-K183 HydrophobicContact CB-CB 4.26Å; A178-K183 HydrophobicContact CB-CD 4.46Å; A178-K183 HydrophobicContact CB-CG 4.34Å; I181-K183 PolarHBondContact O-N 2.86Å
184S94.6Very high92.2Very high45 Ų4561.2 Ų61.232%0.31534%0.336SS..EExtended strand (participates in β ladder)trans-141.1150.6171.462.90000111.7H172 V173H172-S184 PolarHBondContact ND1-OG 3.35Å; V173-S184 CarbonylContact O-C 3.59Å; V173-S184 VanDerWaalsContact O-CA 3.26Å; V173-S184 WeakPolarHBondContact O-CA 3.28Å
185W95.9Very high91.8Very high99 Ų9960.8 Ų60.838%0.37534%0.335SS..EExtended strand (participates in β ladder)trans-91.5126.5170.2-90.868.5000110.3H172 V173 F187 M201 L202 F251H172-W185 CarbonylContact C-O 3.55Å; H172-W185 WeakPolarHBondContact CA-O 3.27Å; V173-W185 HydrophobicContact CB-CB 4.41Å; V173-W185 PolarHBondContact N-O 2.79Å; V173-W185 PolarHBondContact O-N 2.87Å; W185-F187 HydrophobicContact CB-CE2 3.86Å; W185-F187 HydrophobicContact CE3-CZ 4.33Å; W185-M201 WeakPolarHBondContact CH2-O 3.45Å; W185-M201 HydrophobicContact CZ3-CB 4.42Å; W185-M201 VanDerWaalsContact CZ3-O 3.29Å; W185-M201 WeakPolarHBondContact CZ3-O 3.25Å; W185-L202 HydrophobicContact CB-CD2 3.88Å; W185-L202 HydrophobicContact CD2-CD2 3.64Å; W185-L202 HydrophobicContact CE3-CD2 3.77Å; W185-L202 HydrophobicContact CG-CD2 3.69Å; W185-F251 HydrophobicContact CB-CE1 4.49Å; W185-F251 AromaticContact CD1-CE1 3.76Å; W185-F251 AromaticContact CD1-CZ 3.73Å; W185-F251 HydrophobicContact CG-CE1 4.29Å; W185-F251 HydrophobicContact CG-CZ 4.25Å
186V97.6Very high91.7Very high77 Ų7765.5 Ų65.547%0.46736%0.361SS..EExtended strand (participates in β ladder)trans-103.1123.4-175.1-1690000110.8M170 V171M170-V186 HydrophobicContact CB-CG1 3.84Å; M170-V186 HydrophobicContact CE-CG1 3.88Å; M170-V186 HydrophobicContact CG-CG1 4.37Å; V171-V186 CarbonylContact O-C 3.53Å; V171-V186 WeakPolarHBondContact O-CA 3.47Å
187F98.4Very high91.8Very high6 Ų668.6 Ų68.63%0.02638%0.375CS..EExtended strand (participates in β ladder)trans-111.1145.7178.5-66.6-95.9000110.9M170 V171 V173 W185 G189 Y193 I198 M201 L202 I292M170-F187 WeakPolarHBondContact CE-O 3.09Å; V171-F187 HydrophobicContact CB-CB 4.31Å; V171-F187 PolarHBondContact N-O 2.89Å; V171-F187 PolarHBondContact O-N 2.78Å; V173-F187 HydrophobicContact CB-CE2 4.3Å; V173-F187 HydrophobicContact CG2-CD2 3.92Å; V173-F187 HydrophobicContact CG2-CE2 3.59Å; W185-F187 HydrophobicContact CB-CE2 3.86Å; W185-F187 HydrophobicContact CE3-CZ 4.33Å; F187-G189 PolarHBondContact O-N 2.84Å; F187-Y193 HydrophobicContact CB-CE2 4.11Å; F187-Y193 HydrophobicContact CD1-CD1 4.19Å; F187-Y193 AromaticContact CD1-CE1 3.66Å; F187-Y193 HydrophobicContact CD1-CE1 3.66Å; F187-Y193 HydrophobicContact CD1-CE2 4.17Å; F187-Y193 AromaticContact CD1-CZ 3.65Å; F187-Y193 HydrophobicContact CE1-CE1 4.26Å; F187-I198 HydrophobicContact CE1-CD1 3.99Å; F187-I198 HydrophobicContact CZ-CD1 4.38Å; F187-M201 HydrophobicContact CE1-CB 4.37Å; F187-M201 HydrophobicContact CE1-SD 3.89Å; F187-L202 HydrophobicContact CE2-CD2 3.91Å; F187-L202 HydrophobicContact CZ-CD1 4.26Å; F187-L202 HydrophobicContact CZ-CD2 3.56Å; F187-L202 HydrophobicContact CZ-CG 3.91Å; F187-I292 HydrophobicContact CB-CD1 3.56Å; F187-I292 HydrophobicContact CD1-CD1 4.15Å; F187-I292 HydrophobicContact CD2-CD1 3.97Å; F187-I292 HydrophobicContact CG-CD1 3.63Å; F187-I292 HydrophobicContact CG-CG1 4.45Å
188K97.9Very high92.2Very high124 Ų12464.1 Ų64.154%0.53936%0.355SS..EExtended strand (participates in β ladder)trans-69.6117.1178-171.3-179.2-173.2-176.40109.6M170 T190 K191 Y193M170-K188 HydrophobicContact CE-CB 4.4Å; K188-T190 WeakPolarHBondContact CE-OG1 3.42Å; K188-T190 PolarHBondContact O-N 2.84Å; K188-K191 PolarHBondContact O-N 2.81Å; K188-K191 VanDerWaalsContact O-N 3.15Å; K188-Y193 PolarHBondContact N-OH 3.4Å; K188-Y193 VanDerWaalsContact N-OH 3.16Å
189G97.9Very high93.2Very high0 Ų066.3 Ų66.30%036%0.362CS..THydrogen-bonded Turntrans-61-16.1-176.700000115.7K169 F187 S285 T288K169-G189 WeakPolarHBondContact O-CA 3.14Å; F187-G189 PolarHBondContact O-N 2.84Å; G189-S285 WeakPolarHBondContact CA-OG 3.31Å; G189-T288 WeakPolarHBondContact O-CB 3.39Å; G189-T288 PolarHBondContact O-OG1 2.94Å
190T98.2Very high93.9Very high67 Ų6769.4 Ų69.441%0.41137%0.371SS..THydrogen-bonded Turntrans-93.6-1.5-179.772.50000114.5K188K188-T190 WeakPolarHBondContact CE-OG1 3.42Å; K188-T190 PolarHBondContact O-N 2.84Å
191K97.9Very high94.6Very high81 Ų8165.7 Ų65.735%0.35234%0.342SS..  trans-107.1135.1-174.5177.2173.4175.1-174.90110.1K188 Y193 T288K188-K191 PolarHBondContact O-N 2.81Å; K188-K191 VanDerWaalsContact O-N 3.15Å; K191-Y193 HydrophobicContact CB-CD2 4.46Å; K191-Y193 HydrophobicContact CB-CE2 3.74Å; K191-Y193 HydrophobicContact CD-CD1 4.41Å; K191-Y193 HydrophobicContact CD-CE1 3.77Å; K191-Y193 HydrophobicContact CD-CE2 4.27Å; K191-Y193 HydrophobicContact CG-CD2 4.3Å; K191-Y193 HydrophobicContact CG-CE1 4.19Å; K191-Y193 HydrophobicContact CG-CE2 3.89Å; K191-Y193 WeakPolarHBondContact O-CD2 3.33Å; K191-Y193 WeakPolarHBondContact O-CE2 3.35Å; K191-T288 VanDerWaalsContact O-CG2 3.28Å; K191-T288 WeakPolarHBondContact O-CG2 3.35Å; K191-T288 PolarHBondContact O-OG1 2.83Å
192D97.3Very high94.9Very high75 Ų7560.1 Ų60.140%0.40131%0.314SS..  trans-82138.3168.9-163.3-3.4000110.3S291 P320 H352D192-S291 PolarHBondContact OD1-OG 2.76Å; D192-S291 VanDerWaalsContact OD1-OG 3.07Å; D192-P320 HydrophobicContact CB-CB 4.03Å; D192-P320 HydrophobicContact CB-CG 3.88Å; D192-H352 IonicContact OD1-CE1 2.72Å; D192-H352 IonicContact OD2-CE1 2.86Å; D192-H352 PolarHBondContact OD2-CE1 2.8Å; D192-H352 IonicContact OD2-ND1 3.78Å; D192-H352 PolarHBondContact OD2-ND1 3.1Å
193Y96.9Very high95Very high13 Ų1361.8 Ų61.85%0.05133%0.325CS..  trans-124.3128.4-175.3-64.3-94.3000111.3F187 K188 K191 I198 M201 T288 I292 R359F187-Y193 HydrophobicContact CB-CE2 4.11Å; F187-Y193 HydrophobicContact CD1-CD1 4.19Å; F187-Y193 AromaticContact CD1-CE1 3.66Å; F187-Y193 HydrophobicContact CD1-CE1 3.66Å; F187-Y193 HydrophobicContact CD1-CE2 4.17Å; F187-Y193 AromaticContact CD1-CZ 3.65Å; F187-Y193 HydrophobicContact CE1-CE1 4.26Å; K188-Y193 PolarHBondContact N-OH 3.4Å; K188-Y193 VanDerWaalsContact N-OH 3.16Å; K191-Y193 HydrophobicContact CB-CD2 4.46Å; K191-Y193 HydrophobicContact CB-CE2 3.74Å; K191-Y193 HydrophobicContact CD-CD1 4.41Å; K191-Y193 HydrophobicContact CD-CE1 3.77Å; K191-Y193 HydrophobicContact CD-CE2 4.27Å; K191-Y193 HydrophobicContact CG-CD2 4.3Å; K191-Y193 HydrophobicContact CG-CE1 4.19Å; K191-Y193 HydrophobicContact CG-CE2 3.89Å; K191-Y193 WeakPolarHBondContact O-CD2 3.33Å; K191-Y193 WeakPolarHBondContact O-CE2 3.35Å; Y193-I198 HydrophobicContact CD1-CD1 4.19Å; Y193-I198 HydrophobicContact CG-CD1 4.05Å; Y193-M201 HydrophobicContact CD1-SD 4.12Å; Y193-M201 HydrophobicContact CE1-CE 4.28Å; Y193-M201 HydrophobicContact CE1-SD 3.94Å; Y193-T288 HydrophobicContact CD2-CG2 3.91Å; Y193-T288 HydrophobicContact CE2-CG2 3.8Å; Y193-I292 HydrophobicContact CD2-CD1 4.23Å; Y193-I292 HydrophobicContact CD2-CG1 4.11Å; Y193-I292 HydrophobicContact CE2-CD1 4.41Å; Y193-I292 HydrophobicContact CG-CG1 4.42Å; Y193-R359 PolarHBondContact O-NH1 2.92Å
194T93.4Very high94.6Very high71 Ų7156.7 Ų56.744%0.43630%0.303SS..  trans-83.2156.6174.661.60000111.5N196 Q197 I198T194-N196 VanDerWaalsContact C-N 3.25Å; T194-N196 PolarHBondContact O-N 3.08Å; T194-Q197 WeakPolarHBondContact O-CB 3.48Å; T194-Q197 PolarHBondContact O-N 3.39Å; T194-Q197 VanDerWaalsContact OG1-CG 3.31Å; T194-Q197 WeakPolarHBondContact OG1-CG 3.37Å; T194-Q197 PolarHBondContact OG1-N 2.7Å; T194-Q197 PolarHBondContact OG1-OE1 3.08Å; T194-Q197 VanDerWaalsContact OG1-OE1 3.07Å; T194-I198 WeakPolarHBondContact O-CG1 3.49Å; T194-I198 PolarHBondContact O-N 3.44Å
195G90.3Very high93.6Very high6 Ų655 Ų556%0.06229%0.294CS..Hα-helixtrans-52.5-42.2176.300000113Q197 I198 Q199 R359G195-Q197 PolarHBondContact O-N 3.14Å; G195-I198 PolarHBondContact O-N 3.26Å; G195-Q199 WeakPolarHBondContact O-CB 3.4Å; G195-Q199 PolarHBondContact O-N 2.94Å; G195-R359 VanDerWaalsContact N-NH2 3.16Å
196N93.1Very high92Very high118 Ų11859.6 Ų59.663%0.63131%0.311SS*.Hα-helixtrans-62.9-39.5176.3-68-11.7000113T194 Q199 V200T194-N196 VanDerWaalsContact C-N 3.25Å; T194-N196 PolarHBondContact O-N 3.08Å; N196-Q199 WeakPolarHBondContact O-CB 3.45Å; N196-Q199 PolarHBondContact O-N 3.34Å; N196-V200 WeakPolarHBondContact O-CG2 3.43Å; N196-V200 PolarHBondContact O-N 2.71Å
197Q94.7Very high89.6Confident68 Ų6860.3 Ų60.332%0.31832%0.32SS..Hα-helixtrans-66.2-42.5176.4-74.8167-35.200111.1T194 G195 Q199 V200 M201T194-Q197 WeakPolarHBondContact O-CB 3.48Å; T194-Q197 PolarHBondContact O-N 3.39Å; T194-Q197 VanDerWaalsContact OG1-CG 3.31Å; T194-Q197 WeakPolarHBondContact OG1-CG 3.37Å; T194-Q197 PolarHBondContact OG1-N 2.7Å; T194-Q197 PolarHBondContact OG1-OE1 3.08Å; T194-Q197 VanDerWaalsContact OG1-OE1 3.07Å; G195-Q197 PolarHBondContact O-N 3.14Å; Q197-Q199 VanDerWaalsContact C-N 3.34Å; Q197-V200 PolarHBondContact O-N 3.29Å; Q197-M201 VanDerWaalsContact O-CB 3.29Å; Q197-M201 WeakPolarHBondContact O-CB 3.4Å; Q197-M201 WeakPolarHBondContact O-CG 3.28Å; Q197-M201 PolarHBondContact O-N 3.37Å
198I94.3Very high86.6Confident0 Ų065 Ų650%035%0.353CS..Hα-helixtrans-62.6-44.1175.6-60.9-53.8000110.8F187 Y193 T194 G195 V200 M201 L202 I292 L296F187-I198 HydrophobicContact CE1-CD1 3.99Å; F187-I198 HydrophobicContact CZ-CD1 4.38Å; Y193-I198 HydrophobicContact CD1-CD1 4.19Å; Y193-I198 HydrophobicContact CG-CD1 4.05Å; T194-I198 WeakPolarHBondContact O-CG1 3.49Å; T194-I198 PolarHBondContact O-N 3.44Å; G195-I198 PolarHBondContact O-N 3.26Å; I198-V200 PolarHBondContact O-N 2.93Å; I198-M201 PolarHBondContact O-N 2.77Å; I198-L202 HydrophobicContact CG2-CD1 3.73Å; I198-L202 HydrophobicContact CG2-CG 4.27Å; I198-L202 WeakPolarHBondContact O-CB 3.45Å; I198-L202 PolarHBondContact O-N 3.26Å; I198-I292 HydrophobicContact CD1-CB 4.26Å; I198-I292 HydrophobicContact CD1-CG1 3.76Å; I198-I292 HydrophobicContact CD1-CG2 4.21Å; I198-L296 HydrophobicContact CG2-CB 4.19Å
199Q92.3Very high83.2Confident61 Ų6165.5 Ų65.529%0.28537%0.366SS..Hα-helixtrans-54-51.2176.3-165.1-173.9-700111.8G195 N196 Q197 S203 V204 A299G195-Q199 WeakPolarHBondContact O-CB 3.4Å; G195-Q199 PolarHBondContact O-N 2.94Å; N196-Q199 WeakPolarHBondContact O-CB 3.45Å; N196-Q199 PolarHBondContact O-N 3.34Å; Q197-Q199 VanDerWaalsContact C-N 3.34Å; Q199-S203 VanDerWaalsContact O-CA 3.25Å; Q199-S203 WeakPolarHBondContact O-CA 3.43Å; Q199-S203 PolarHBondContact O-N 2.9Å; Q199-V204 WeakPolarHBondContact CG-O 3.28Å; Q199-V204 PolarHBondContact O-N 3.26Å; Q199-A299 HydrophobicContact CB-CB 3.86Å; Q199-A299 HydrophobicContact CG-CB 4.02Å
200V93.2Very high80Confident114 Ų11470.6 Ų70.669%0.69140%0.397SS*.Hα-helixtrans-68.5-47-179.11730000111.5N196 Q197 I198 S203N196-V200 WeakPolarHBondContact O-CG2 3.43Å; N196-V200 PolarHBondContact O-N 2.71Å; Q197-V200 PolarHBondContact O-N 3.29Å; I198-V200 PolarHBondContact O-N 2.93Å; V200-S203 PolarHBondContact O-N 2.87Å
201M94Very high76.5Confident65 Ų6574.8 Ų74.832%0.3242%0.417SS..Hα-helixtrans-66.2-43.3-175.9-72175.6178.900112.1W185 F187 Y193 Q197 I198W185-M201 WeakPolarHBondContact CH2-O 3.45Å; W185-M201 HydrophobicContact CZ3-CB 4.42Å; W185-M201 VanDerWaalsContact CZ3-O 3.29Å; W185-M201 WeakPolarHBondContact CZ3-O 3.25Å; F187-M201 HydrophobicContact CE1-CB 4.37Å; F187-M201 HydrophobicContact CE1-SD 3.89Å; Y193-M201 HydrophobicContact CD1-SD 4.12Å; Y193-M201 HydrophobicContact CE1-CE 4.28Å; Y193-M201 HydrophobicContact CE1-SD 3.94Å; Q197-M201 VanDerWaalsContact O-CB 3.29Å; Q197-M201 WeakPolarHBondContact O-CB 3.4Å; Q197-M201 WeakPolarHBondContact O-CG 3.28Å; Q197-M201 PolarHBondContact O-N 3.37Å; I198-M201 PolarHBondContact O-N 2.77Å
202L93.1Very high73.3Confident2 Ų275.5 Ų75.51%0.0144%0.438CS..Hα-helixtrans-89.3-6.6-178.5-62.8-174.4000113.2V173 W185 F187 I198 V204 F251 L296V173-L202 HydrophobicContact CG1-CD1 4.28Å; W185-L202 HydrophobicContact CB-CD2 3.88Å; W185-L202 HydrophobicContact CD2-CD2 3.64Å; W185-L202 HydrophobicContact CE3-CD2 3.77Å; W185-L202 HydrophobicContact CG-CD2 3.69Å; F187-L202 HydrophobicContact CE2-CD2 3.91Å; F187-L202 HydrophobicContact CZ-CD1 4.26Å; F187-L202 HydrophobicContact CZ-CD2 3.56Å; F187-L202 HydrophobicContact CZ-CG 3.91Å; I198-L202 HydrophobicContact CG2-CD1 3.73Å; I198-L202 HydrophobicContact CG2-CG 4.27Å; I198-L202 WeakPolarHBondContact O-CB 3.45Å; I198-L202 PolarHBondContact O-N 3.26Å; L202-V204 HydrophobicContact CB-CB 4.44Å; L202-V204 HydrophobicContact CB-CG1 3.75Å; L202-V204 HydrophobicContact CB-CG2 3.99Å; L202-V204 PolarHBondContact O-N 2.81Å; L202-F251 HydrophobicContact CB-CD2 4.38Å; L202-F251 HydrophobicContact CB-CE2 3.73Å; L202-F251 HydrophobicContact CB-CZ 4.29Å; L202-F251 HydrophobicContact CD1-CD2 4.32Å; L202-F251 HydrophobicContact CD1-CE2 4.23Å; L202-F251 HydrophobicContact CD2-CE1 4.31Å; L202-F251 HydrophobicContact CD2-CE2 3.99Å; L202-F251 HydrophobicContact CD2-CZ 3.7Å; L202-F251 HydrophobicContact CG-CE2 4.2Å; L202-F251 HydrophobicContact CG-CZ 4.41Å; L202-L296 HydrophobicContact CD1-CD1 4.17Å
203S89.9Confident69.9Low93 Ų9379.3 Ų79.365%0.6546%0.458SS*.THydrogen-bonded Turntrans52.539.7-172.6-56.80000112.4Q199 V200Q199-S203 VanDerWaalsContact O-CA 3.25Å; Q199-S203 WeakPolarHBondContact O-CA 3.43Å; Q199-S203 PolarHBondContact O-N 2.9Å; V200-S203 PolarHBondContact O-N 2.87Å
204V85Confident66.4Low5 Ų587.2 Ų87.23%0.0350%0.496CS..  trans-99.4159.5-179.5-66.80000110.7Q199 L202 F251 L296 A299Q199-V204 WeakPolarHBondContact CG-O 3.28Å; Q199-V204 PolarHBondContact O-N 3.26Å; L202-V204 HydrophobicContact CB-CB 4.44Å; L202-V204 HydrophobicContact CB-CG1 3.75Å; L202-V204 HydrophobicContact CB-CG2 3.99Å; L202-V204 PolarHBondContact O-N 2.81Å; V204-F251 HydrophobicContact CG1-CD2 3.71Å; V204-F251 HydrophobicContact CG1-CE2 3.94Å; V204-L296 HydrophobicContact CB-CD1 4.23Å; V204-L296 HydrophobicContact CG1-CD1 3.96Å; V204-L296 HydrophobicContact CG2-CD1 3.89Å; V204-A299 HydrophobicContact CG2-CB 4.18Å
205G74.4Confident63.2Low11 Ų1190 Ų9011%0.11352%0.515CS..SBendtrans93.4-173.6175.500000114.3S207 A299G205-S207 PolarHBondContact O-N 2.94Å; G205-A299 VanDerWaalsContact CA-O 3.29Å; G205-A299 WeakPolarHBondContact CA-O 3.33Å
206R62.3Low60.1Low194 Ų19494.6 Ų94.673%0.73255%0.552SS**  trans-76.389.8-178.4-61.9-177.9-174.4-169.6-0.1109.1S208R206-S208 PolarHBondContact O-N 3.45Å
207S48.1Very low56.9Low93 Ų9392.2 Ų92.265%0.6555%0.545SS*.  trans-55.8107.5161-64.30000107.2G205 V209G205-S207 PolarHBondContact O-N 2.94Å; S207-V209 PolarHBondContact O-N 3.24Å
208S33.5Very low53.9Low103 Ų10393.9 Ų93.972%0.7256%0.56SS**  trans-67.875.6168.6620000108.4R206 T210R206-S208 PolarHBondContact O-N 3.45Å; S208-T210 PolarHBondContact O-N 3.08Å; S208-T210 VanDerWaalsContact O-N 3.14Å
209V28.5Very low50.7Low136 Ų136102.2 Ų102.282%0.82460%0.596SS**  trans-78.476.3150.9-175.50000105.1S207S207-V209 PolarHBondContact O-N 3.24Å
210T29.4Very low47.4Very low106 Ų106103.8 Ų103.865%0.6561%0.607SS**  trans-128.5112.9167.247.10000107.8S208 A212S208-T210 PolarHBondContact O-N 3.08Å; S208-T210 VanDerWaalsContact O-N 3.14Å; T210-A212 PolarHBondContact O-N 3.17Å
211N25.8Very low44.3Very low156 Ų156102.9 Ų102.983%0.83461%0.611SS**  trans-24.3127.6150.2-76-31.8000110.4N213N211-N213 VanDerWaalsContact C-N 3.26Å; N211-N213 PolarHBondContact O-N 3.15Å
212A30.1Very low40.9Very low95 Ų95106.6 Ų106.679%0.78563%0.632SS**SBendtrans-58.292169.500000108.6T210T210-A212 PolarHBondContact O-N 3.17Å
213N25.6Very low37.6Very low155 Ų155109.3 Ų109.383%0.82965%0.651SS**SBendtrans167.564.7159.9-85.1-17.2000109.8N211N211-N213 VanDerWaalsContact C-N 3.26Å; N211-N213 PolarHBondContact O-N 3.15Å
214Q24Very low34.6Very low179 Ų179110.2 Ų110.284%0.83666%0.655SS**  trans-175.2126.9146-105.2171.830.900110.5A216Q214-A216 PolarHBondContact O-N 3.47Å
215P25.6Very low31.8Very low129 Ų129116.6 Ų116.684%0.83870%0.697SS**  trans-80.7104.1-175.730.3-31.5000111.3S217P215-S217 PolarHBondContact O-N 2.88Å
216A25.3Very low29.6Very low103 Ų103119.8 Ų119.885%0.85173%0.729SS**  trans-89.193168.900000110.6Q214Q214-A216 PolarHBondContact O-N 3.47Å
217S26.8Very low28Very low68 Ų68114.1 Ų114.148%0.47672%0.724SS.*  trans-142.9103.5156.459.50000109.7P215 F219P215-S217 PolarHBondContact O-N 2.88Å; S217-F219 PolarHBondContact O-N 3.09Å
218V30.3Very low27.3Very low104 Ų104114.1 Ų114.163%0.6372%0.722SS**THydrogen-bonded Turntrans-79.5-7.5-178.6-177.50000112.1K236V218-K236 PolarHBondContact O-NZ 3.26Å
219F28.2Very low27.9Very low175 Ų175115.1 Ų115.177%0.76871%0.713SS**THydrogen-bonded Turntrans-133.171167.5-68.4-81.1000110.1S217 A221S217-F219 PolarHBondContact O-N 3.09Å; F219-A221 PolarHBondContact O-N 3Å
220N23.6Very low28.9Very low94 Ų94109.2 Ų109.250%0.50368%0.68SS.*  trans-67.6113.3169.7-154.1-6.9000108.6N222N220-N222 PolarHBondContact O-N 3.37Å; N220-N222 VanDerWaalsContact O-N 3.16Å
221A26.1Very low30.1Very low94 Ų94104.9 Ų104.978%0.77765%0.654SS**SBendtrans-68.40.2174.800000113F219F219-A221 PolarHBondContact O-N 3Å
222N22.8Very low31.6Very low143 Ų14398.2 Ų98.277%0.76562%0.617SS**  trans-103.450.5178.1-72.9-7.5000113.2N220N220-N222 PolarHBondContact O-N 3.37Å; N220-N222 VanDerWaalsContact O-N 3.16Å
223S25.5Very low32.8Very low59 Ų5997.3 Ų97.341%0.41360%0.599SS.*SBendtrans-100.9140.8158.1-47.20000108.9K229S223-K229 PolarHBondContact OG-NZ 3.32Å; S223-K229 VanDerWaalsContact OG-NZ 3.16Å
224P25.8Very low33.8Very low113 Ų11392.2 Ų92.273%0.73458%0.575SS**  trans-57.5142.4-174.2-18.929.5000111.9G226P224-G226 PolarHBondContact O-N 3.45Å; P224-G226 VanDerWaalsContact O-N 3.13Å
225P26.1Very low34.3Very low139 Ų13990.4 Ų90.490%0.90357%0.567SS**THydrogen-bonded Turntrans-66.5113.3178.527.9-32000108.8
226G28.1Very low34.9Very low77 Ų7789.7 Ų89.779%0.79455%0.55SS**THydrogen-bonded Turntrans163.1-18.7174.500000118P224 P228P224-G226 PolarHBondContact O-N 3.45Å; P224-G226 VanDerWaalsContact O-N 3.13Å; G226-P228 WeakPolarHBondContact O-CD 3.5Å
227A29Very low35Very low76 Ų7693.5 Ų93.563%0.62855%0.551SS**  trans-98.6114.2174.700000110.5K229A227-K229 PolarHBondContact O-N 2.91Å
228P32.5Very low35.5Very low92 Ų9296.2 Ų96.260%0.59755%0.554SS**  trans-67.999.2176.925.3-30.3000109.6G226 G230G226-P228 WeakPolarHBondContact O-CD 3.5Å; P228-G230 PolarHBondContact O-N 2.87Å
229K46Very low35.4Very low124 Ų12499.8 Ų99.854%0.53956%0.564SS.*  trans-74.3101.8172-65.6178.7-177.1174.10107.3S223 A227S223-K229 PolarHBondContact OG-NZ 3.32Å; S223-K229 VanDerWaalsContact OG-NZ 3.16Å; A227-K229 PolarHBondContact O-N 2.91Å
230G50.3Low35.3Very low13 Ų13100.1 Ų100.113%0.13457%0.568CS.*  trans-65.6167.7176.300000112.5P228 Y232 E429P228-G230 PolarHBondContact O-N 2.87Å; G230-Y232 PolarHBondContact O-N 3.19Å; G230-E429 WeakPolarHBondContact CA-OE2 3.29Å
231V55.7Low36Very low15 Ų1599.3 Ų99.39%0.09157%0.568CS.*SBendtrans-54.6-37.2-177.5176.50000112.4Q427 E429 V467 Q512V231-Q427 HydrophobicContact CG1-CB 4.29Å; V231-Q427 HydrophobicContact CG1-CG 4.48Å; V231-Q427 HydrophobicContact CG2-CG 4.25Å; V231-E429 HydrophobicContact CB-CB 4.41Å; V231-E429 HydrophobicContact CG2-CB 3.21Å; V231-E429 HydrophobicContact CG2-CG 4.37Å; V231-E429 PolarHBondContact N-OE2 3.29Å; V231-V467 HydrophobicContact CG2-CG1 4.28Å; V231-Q512 HydrophobicContact CG1-CB 3.51Å; V231-Q512 PolarHBondContact O-OE1 3.24Å; V231-Q512 VanDerWaalsContact O-OE1 3.05Å
232Y57.1Low36.2Very low15 Ų15103.3 Ų103.36%0.05957%0.57CS.*  trans-111.8118-178.2-171.1-83.6000111.9D57 P58 F60 I119 G230 L522D57-Y232 PolarHBondContact OD1-OH 2.95Å; P58-Y232 HydrophobicContact CG-CE1 4.32Å; F60-Y232 HydrophobicContact CE1-CD1 4.12Å; F60-Y232 AromaticContact CE2-CD1 3.48Å; F60-Y232 HydrophobicContact CE2-CD1 3.48Å; F60-Y232 VanDerWaalsContact CE2-CD1 3.48Å; F60-Y232 AromaticContact CE2-CE1 3.66Å; F60-Y232 HydrophobicContact CE2-CE1 3.66Å; F60-Y232 AromaticContact CZ-CD1 3.08Å; F60-Y232 HydrophobicContact CZ-CD1 3.08Å; F60-Y232 AromaticContact CZ-CE1 3.69Å; F60-Y232 HydrophobicContact CZ-CE1 3.69Å; F60-Y232 AromaticContact CZ-CG 3.74Å; F60-Y232 HydrophobicContact CZ-CG 3.74Å; I119-Y232 HydrophobicContact CD1-CD2 3.99Å; I119-Y232 HydrophobicContact CD1-CE2 3.65Å; I119-Y232 HydrophobicContact CG1-CE2 3.82Å; I119-Y232 HydrophobicContact CG2-CE2 3.98Å; G230-Y232 PolarHBondContact O-N 3.19Å; Y232-L522 HydrophobicContact CD2-CD1 4.42Å; Y232-L522 HydrophobicContact CD2-CD2 4.12Å; Y232-L522 HydrophobicContact CG-CD2 4.38Å
233N53.8Low36.8Very low76 Ų76103.7 Ų103.741%0.40657%0.569SS.*  trans-108.9107.9171.9-82.4-27.2000110.3E235N233-E235 VanDerWaalsContact C-N 3.3Å
234S46.4Very low37.9Very low48 Ų48103.5 Ų103.534%0.33657%0.571SS.*SBendtrans-73.1-22.7165.849.90000112.7
235E36Very low39.3Very low141 Ų141106 Ų10666%0.65957%0.573SS**  trans-88.6-3.4-163.4-75.3166.5-145.700115.5R65 N233 Q237R65-E235 IonicContact CZ-OE1 3.2Å; R65-E235 IonicContact NH1-OE1 3.97Å; R65-E235 PolarHBondContact NH1-OE1 3.27Å; N233-E235 VanDerWaalsContact C-N 3.3Å; E235-Q237 PolarHBondContact O-N 3.39Å
236K37.3Very low41.2Very low114 Ų114101.4 Ų101.450%0.49654%0.541SS..SBendtrans-74.689.5158.1-74.8-167.3-179.4-177.30106.4V218 F238V218-K236 PolarHBondContact O-NZ 3.26Å; K236-F238 PolarHBondContact O-N 3.11Å
237Q28.2Very low43.4Very low184 Ų18499.1 Ų99.186%0.8651%0.512SS*.  trans-39.7109165-76.1178.3-10.100107.6E235 Q239E235-Q237 PolarHBondContact O-N 3.39Å; Q237-Q239 PolarHBondContact O-N 2.94Å
238F36.1Very low45.5Very low124 Ų124102.3 Ų102.354%0.54451%0.509SS..  trans-62.692.9176.7-72.5-97.8000106.5K236 Q240 P241K236-F238 PolarHBondContact O-N 3.11Å; F238-Q240 PolarHBondContact O-N 3.4Å; F238-Q240 VanDerWaalsContact O-N 3.17Å; F238-P241 HydrophobicContact CD1-CG 4.48Å
239Q28.5Very low48Very low179 Ų17998.1 Ų98.184%0.83648%0.481SS*.  trans-47.5124.6147.4-73.1179.8-5.500104.7Q237 P241Q237-Q239 PolarHBondContact O-N 2.94Å; Q239-P241 VanDerWaalsContact O-CD 3.28Å; Q239-P241 WeakPolarHBondContact O-CD 3.49Å
240Q27.1Very low50.1Low183 Ų18396.6 Ų96.686%0.85547%0.472SS*.  trans-36.5112.6177.5-79.8175-2.900107.5F238 Q242F238-Q240 PolarHBondContact O-N 3.4Å; F238-Q240 VanDerWaalsContact O-N 3.17Å; Q240-Q242 PolarHBondContact O-N 2.93Å
241P37.1Very low52.2Low77 Ų7796 Ų9650%0.547%0.466SS..  trans-64.7102.6172.6-4.816.9000103.5F238 Q239 M243F238-P241 HydrophobicContact CD1-CG 4.48Å; Q239-P241 VanDerWaalsContact O-CD 3.28Å; Q239-P241 WeakPolarHBondContact O-CD 3.49Å; P241-M243 PolarHBondContact O-N 3Å
242Q31.7Very low54.1Low178 Ų17895.3 Ų95.383%0.83246%0.462SS*.  trans-40.5120.1149.3-80.5178.8-1400104.1Q240 A244Q240-Q242 PolarHBondContact O-N 2.93Å; Q242-A244 VanDerWaalsContact C-N 3.28Å; Q242-A244 PolarHBondContact O-N 3Å
243M34.8Very low55.9Low151 Ų15194.9 Ų94.974%0.74446%0.46SS*.  trans-42.8103.1177.8-77.8173.470.100106.1P241 Q245P241-M243 PolarHBondContact O-N 3Å; M243-Q245 PolarHBondContact O-N 3.44Å
244A47.2Very low57.8Low54 Ų5491.8 Ų91.845%0.44644%0.444SS..  trans-77.882-178.900000102.1Q123 Q242 L246Q123-A244 PolarHBondContact NE2-O 2.87Å; Q123-A244 VanDerWaalsContact OE1-N 3.1Å; Q123-A244 PolarHBondContact OE1-O 2.9Å; Q242-A244 VanDerWaalsContact C-N 3.28Å; Q242-A244 PolarHBondContact O-N 3Å; A244-L246 PolarHBondContact O-N 3.24Å; A244-L246 VanDerWaalsContact O-N 3.11Å
245Q55.7Low60.1Low166 Ų16689.9 Ų89.978%0.77643%0.43SS*.  trans-45.5126.9172.4-74.6-178.4-14.200105.6M243M243-Q245 PolarHBondContact O-N 3.44Å
246L67.3Low62.8Low42 Ų4289.2 Ų89.222%0.2243%0.427CS..PPolyproline II helixtrans-48.5132.8175.3-77.9179000107.5V125 P126 F161 A244 Y248 Y301V125-L246 HydrophobicContact CG1-CD1 4.29Å; V125-L246 HydrophobicContact CG1-CD2 4.03Å; P126-L246 HydrophobicContact CG-CD1 4.01Å; F161-L246 HydrophobicContact CE1-CD1 4.21Å; F161-L246 HydrophobicContact CE2-CD1 3.96Å; F161-L246 HydrophobicContact CZ-CD1 3.78Å; A244-L246 PolarHBondContact O-N 3.24Å; A244-L246 VanDerWaalsContact O-N 3.11Å; L246-Y248 PolarHBondContact O-N 3.37Å; L246-Y301 HydrophobicContact CB-CE1 4.08Å; L246-Y301 HydrophobicContact CD1-CE1 4.29Å; L246-Y301 HydrophobicContact CD2-CD1 3.98Å; L246-Y301 HydrophobicContact CD2-CE1 3.92Å; L246-Y301 HydrophobicContact CG-CE1 4.32Å
247P72.7Confident65.4Low30 Ų3092.1 Ų92.120%0.19544%0.435CS..PPolyproline II helixtrans-56132.4-176.323.8-32.3000108.3N249 A300 Y301P247-N249 PolarHBondContact O-N 3.25Å; P247-A300 WeakPolarHBondContact CG-O 3.44Å; P247-Y301 HydrophobicContact CG-CE1 4.31Å; P247-Y301 PolarHBondContact O-OH 2.98Å
248Y74.6Confident68.5Low142 Ų14283.4 Ų83.456%0.55739%0.394SS*.PPolyproline II helixtrans-54134.1175.5171.5-100000110E177 L246 R250E177-Y248 VanDerWaalsContact CD-OH 3.23Å; E177-Y248 PolarHBondContact OE1-OH 2.9Å; E177-Y248 WeakPolarHBondContact OE2-CE2 3.29Å; E177-Y248 PolarHBondContact OE2-OH 3.46Å; L246-Y248 PolarHBondContact O-N 3.37Å; Y248-R250 HydrophobicContact CE1-CG 3.63Å; Y248-R250 WeakPolarHBondContact OH-CG 3.23Å
249N83.4Confident71.2Confident4 Ų481.5 Ų81.52%0.02139%0.39CS..  trans-146.1114.6-177-170.4-31.5000110.8P247 F251 I252 Q253 A300 Y301P247-N249 PolarHBondContact O-N 3.25Å; N249-F251 PolarHBondContact O-N 3.23Å; N249-F251 WeakPolarHBondContact OD1-CB 3.47Å; N249-F251 PolarHBondContact OD1-N 2.86Å; N249-I252 HydrophobicContact CB-CB 4.39Å; N249-I252 CarbonylContact O-C 3.57Å; N249-I252 PolarHBondContact O-N 3.44Å; N249-I252 PolarHBondContact OD1-N 3.05Å; N249-Q253 PolarHBondContact O-NE2 3.34Å; N249-A300 WeakPolarHBondContact ND2-CB 3.19Å; N249-Y301 HydrophobicContact CB-CE2 4.48Å
250R91.1Very high74.2Confident92 Ų9276.2 Ų76.235%0.34738%0.377SS..THydrogen-bonded Turntrans-66-19-179.7-68.8-177.9-65.3163.82114.6E175 L176 Y248E175-R250 IonicContact OE1-NH1 2.75Å; L176-R250 PolarHBondContact N-O 3.38Å; Y248-R250 HydrophobicContact CE1-CG 3.63Å; Y248-R250 WeakPolarHBondContact OH-CG 3.23Å
251F95.3Very high77.4Confident2 Ų269 Ų691%0.00934%0.344CS..THydrogen-bonded Turntrans-99.5-15.4-176.7-52.3-77.7000112.9G163 V173 E175 W185 L202 V204 N249 L296G163-F251 WeakPolarHBondContact CA-O 3.34Å; V173-F251 HydrophobicContact CB-CD1 4.35Å; V173-F251 HydrophobicContact CG1-CB 4.05Å; V173-F251 HydrophobicContact CG1-CD1 3.54Å; V173-F251 HydrophobicContact CG1-CE1 4.18Å; V173-F251 HydrophobicContact CG1-CG 3.88Å; E175-F251 HydrophobicContact CG-CD1 3.94Å; E175-F251 HydrophobicContact CG-CE1 3.48Å; E175-F251 VanDerWaalsContact CG-CE1 3.48Å; E175-F251 HydrophobicContact CG-CZ 4.18Å; W185-F251 HydrophobicContact CB-CE1 4.49Å; W185-F251 AromaticContact CD1-CE1 3.76Å; W185-F251 AromaticContact CD1-CZ 3.73Å; W185-F251 HydrophobicContact CG-CE1 4.29Å; W185-F251 HydrophobicContact CG-CZ 4.25Å; L202-F251 HydrophobicContact CB-CD2 4.38Å; L202-F251 HydrophobicContact CB-CE2 3.73Å; L202-F251 HydrophobicContact CB-CZ 4.29Å; L202-F251 HydrophobicContact CD1-CD2 4.32Å; L202-F251 HydrophobicContact CD1-CE2 4.23Å; L202-F251 HydrophobicContact CD2-CE1 4.31Å; L202-F251 HydrophobicContact CD2-CE2 3.99Å; L202-F251 HydrophobicContact CD2-CZ 3.7Å; L202-F251 HydrophobicContact CG-CE2 4.2Å; L202-F251 HydrophobicContact CG-CZ 4.41Å; V204-F251 HydrophobicContact CG1-CD2 3.71Å; V204-F251 HydrophobicContact CG1-CE2 3.94Å; N249-F251 PolarHBondContact O-N 3.23Å; N249-F251 WeakPolarHBondContact OD1-CB 3.47Å; N249-F251 PolarHBondContact OD1-N 2.86Å; F251-L296 HydrophobicContact CB-CD2 4.32Å
252I95.1Very high80.1Confident0 Ų065.4 Ų65.40%032%0.321CS..EExtended strand (participates in β ladder)trans-131.7105.4-179.5-54.9177.9000108I128 I130 F161 V162 N249 L296 L297 Y301I128-I252 HydrophobicContact CG2-CG2 3.7Å; I130-I252 HydrophobicContact CD1-CD1 3.78Å; I130-I252 HydrophobicContact CD1-CG1 4.47Å; I130-I252 HydrophobicContact CG1-CD1 4.41Å; F161-I252 HydrophobicContact CB-CG2 3.9Å; F161-I252 HydrophobicContact CD1-CG2 3.98Å; F161-I252 HydrophobicContact CG-CG2 4.46Å; V162-I252 CarbonylContact O-C 3.51Å; V162-I252 VanDerWaalsContact O-CA 3.26Å; V162-I252 WeakPolarHBondContact O-CA 3.25Å; N249-I252 HydrophobicContact CB-CB 4.39Å; N249-I252 CarbonylContact O-C 3.57Å; N249-I252 PolarHBondContact O-N 3.44Å; N249-I252 PolarHBondContact OD1-N 3.05Å; I252-L296 HydrophobicContact CD1-CD1 4.43Å; I252-L296 HydrophobicContact CD1-CD2 3.88Å; I252-L296 HydrophobicContact CD1-CG 3.83Å; I252-L296 HydrophobicContact CG1-CD2 4.11Å; I252-L297 HydrophobicContact CD1-CD2 4.08Å; I252-Y301 HydrophobicContact CB-CE2 3.98Å; I252-Y301 HydrophobicContact CD1-CD2 3.92Å; I252-Y301 HydrophobicContact CD1-CE2 3.65Å; I252-Y301 HydrophobicContact CG1-CE2 4.37Å; I252-Y301 HydrophobicContact CG2-CE2 3.95Å
253Q94.6Very high83.1Confident5 Ų559 Ų592%0.02329%0.294CS..EExtended strand (participates in β ladder)trans-123.7152.4-171.1-72.8-73.2-29.200111.7F161 V162 L176 E177 N249 C258F161-Q253 CarbonylContact C-O 3.59Å; F161-Q253 WeakPolarHBondContact CA-O 3.39Å; V162-Q253 PolarHBondContact N-O 2.91Å; V162-Q253 PolarHBondContact O-N 3.14Å; L176-Q253 HydrophobicContact CB-CB 4.1Å; L176-Q253 HydrophobicContact CB-CG 4.02Å; E177-Q253 HydrophobicContact CB-CG 4.33Å; E177-Q253 PolarHBondContact OE2-NE2 3.48Å; N249-Q253 PolarHBondContact O-NE2 3.34Å; Q253-C258 HydrophobicContact CB-CB 4.18Å
254P93.6Very high85.9Confident11 Ų1156.1 Ų56.17%0.07128%0.281CS..EExtended strand (participates in β ladder)trans-57.9137.7169.3-19.129.6000111.4A160 F161 E256 R257 C258A160-P254 CarbonylContact O-C 3.59Å; A160-P254 WeakPolarHBondContact O-CA 3.46Å; F161-P254 HydrophobicContact CD2-CG 4.38Å; F161-P254 HydrophobicContact CE1-CG 4.12Å; F161-P254 HydrophobicContact CE2-CB 4.31Å; F161-P254 HydrophobicContact CE2-CG 3.8Å; F161-P254 HydrophobicContact CZ-CG 3.67Å; P254-E256 VanDerWaalsContact C-N 3.27Å; P254-E256 HydrophobicContact CB-CG 4.12Å; P254-E256 PolarHBondContact O-N 2.88Å; P254-R257 HydrophobicContact CB-CG 4.33Å; P254-R257 HydrophobicContact CG-CG 4.44Å; P254-R257 WeakPolarHBondContact O-CB 3.42Å; P254-R257 PolarHBondContact O-N 3.19Å; P254-C258 PolarHBondContact O-N 3.05Å; P254-C258 PolarHBondContact O-SG 2.76Å; P254-C258 VanDerWaalsContact O-SG 3.41Å
255M93.8Very high88.2Confident8 Ų854 Ų544%0.03926%0.263CS..Hα-helixtrans-53.2-43.8-178.7-171.664.5-158.600111.8L153 L156 P158 A160 V162 R257 C258 D259 I262L153-M255 HydrophobicContact CB-CE 3.76Å; L153-M255 HydrophobicContact CD1-CE 4.38Å; L153-M255 HydrophobicContact CD2-CE 4.33Å; L153-M255 HydrophobicContact CD2-SD 4.22Å; L153-M255 HydrophobicContact CG-CE 4.39Å; L156-M255 HydrophobicContact CB-CG 4.46Å; L156-M255 HydrophobicContact CD1-SD 4.4Å; P158-M255 PolarHBondContact O-N 3.5Å; A160-M255 PolarHBondContact O-N 2.66Å; V162-M255 HydrophobicContact CG1-SD 3.93Å; V162-M255 HydrophobicContact CG2-SD 4.05Å; M255-R257 PolarHBondContact O-N 2.62Å; M255-C258 PolarHBondContact O-N 3.14Å; M255-C258 VanDerWaalsContact O-N 3.16Å; M255-D259 HydrophobicContact CE-CB 3.75Å; M255-D259 WeakPolarHBondContact CE-OD1 3.37Å; M255-D259 WeakPolarHBondContact O-CA 3.43Å; M255-D259 WeakPolarHBondContact O-CB 3.46Å; M255-D259 PolarHBondContact O-N 2.77Å; M255-I262 HydrophobicContact CE-CG2 4.2Å
256E93.6Very high90.1Very high128 Ų12846.2 Ų46.260%0.59823%0.226SC*.Hα-helixtrans-57.4-21.3177.969.3-175.2-176.600114.8P158 P254P158-E256 HydrophobicContact CB-CB 3.92Å; P158-E256 WeakPolarHBondContact O-CB 3.47Å; P158-E256 PolarHBondContact O-N 3.46Å; P254-E256 VanDerWaalsContact C-N 3.27Å; P254-E256 HydrophobicContact CB-CG 4.12Å; P254-E256 PolarHBondContact O-N 2.88Å
257R92Very high91.4Very high174 Ų17448 Ų4866%0.65724%0.239SC*.Hα-helixtrans-95.8-28.8-179.6-62.8-170.9-176.6-177.1-3.4113.2P254 M255P254-R257 HydrophobicContact CB-CG 4.33Å; P254-R257 HydrophobicContact CG-CG 4.44Å; P254-R257 WeakPolarHBondContact O-CB 3.42Å; P254-R257 PolarHBondContact O-N 3.19Å; M255-R257 PolarHBondContact O-N 2.62Å
258C93.3Very high92.4Very high1 Ų152.5 Ų52.51%0.00726%0.257CS..Hα-helixtrans-119.45-172.166.40000114.1V162 L176 Q253 P254 M255 A260 L261 I262V162-C258 WeakPolarHBondContact CG2-SG 3.4Å; L176-C258 HydrophobicContact CB-CB 4.03Å; L176-C258 VanDerWaalsContact O-CB 3.27Å; L176-C258 WeakPolarHBondContact O-CB 3.37Å; Q253-C258 HydrophobicContact CB-CB 4.18Å; P254-C258 PolarHBondContact O-N 3.05Å; P254-C258 PolarHBondContact O-SG 2.76Å; P254-C258 VanDerWaalsContact O-SG 3.41Å; M255-C258 PolarHBondContact O-N 3.14Å; M255-C258 VanDerWaalsContact O-N 3.16Å; C258-A260 PolarHBondContact O-N 2.95Å; C258-L261 PolarHBondContact O-N 2.97Å; C258-L261 VanDerWaalsContact O-N 3.13Å; C258-I262 WeakPolarHBondContact O-CG2 3.27Å; C258-I262 PolarHBondContact O-N 3.42Å
259D93Very high93.4Very high84 Ų8446.5 Ų46.545%0.44924%0.235SC..Hα-helixtrans-48.4-55.4-177-176.619.7000113.5M255 I262 T263M255-D259 HydrophobicContact CE-CB 3.75Å; M255-D259 WeakPolarHBondContact CE-OD1 3.37Å; M255-D259 WeakPolarHBondContact O-CA 3.43Å; M255-D259 WeakPolarHBondContact O-CB 3.46Å; M255-D259 PolarHBondContact O-N 2.77Å; D259-I262 WeakPolarHBondContact O-CG2 3.39Å; D259-T263 VanDerWaalsContact O-CB 3.28Å; D259-T263 WeakPolarHBondContact O-CB 3.34Å; D259-T263 PolarHBondContact O-N 3.23Å; D259-T263 PolarHBondContact O-OG1 3.01Å
260A92Very high93.9Very high68 Ų6852.7 Ų52.756%0.56226%0.263SS*.Hα-helixtrans-61-49.1177.500000111.4C258 I262 T263 D264C258-A260 PolarHBondContact O-N 2.95Å; A260-I262 PolarHBondContact O-N 3.42Å; A260-T263 PolarHBondContact O-N 3.01Å; A260-D264 WeakPolarHBondContact O-CB 3.3Å; A260-D264 PolarHBondContact O-N 3.44Å
261L93.3Very high94.1Very high33 Ų3350.4 Ų50.417%0.17326%0.261CS..Hα-helixtrans-61.3-45.9-177.4178.464.7000112.6L176 A178 C258 T263 D264 L265L176-L261 VanDerWaalsContact C-CD2 3.45Å; L176-L261 WeakPolarHBondContact O-CD2 3.38Å; A178-L261 HydrophobicContact CB-CD2 4.49Å; C258-L261 PolarHBondContact O-N 2.97Å; C258-L261 VanDerWaalsContact O-N 3.13Å; L261-T263 VanDerWaalsContact C-N 3.33Å; L261-D264 PolarHBondContact O-N 2.68Å; L261-L265 HydrophobicContact CD1-CD1 4.38Å; L261-L265 HydrophobicContact CD1-CG 4.37Å; L261-L265 HydrophobicContact CG-CD1 4.13Å; L261-L265 WeakPolarHBondContact O-CB 3.47Å; L261-L265 WeakPolarHBondContact O-CG 3.42Å; L261-L265 PolarHBondContact O-N 2.84Å
262I94.5Very high94.2Very high1 Ų151.6 Ų51.61%0.00527%0.267CS..Hα-helixtrans-69.2-35179.9-165.3171.4000111.1L153 V162 L164 L176 M255 C258 D259 A260 L266L153-I262 HydrophobicContact CD1-CD1 4.49Å; L153-I262 HydrophobicContact CD1-CG1 4.35Å; L153-I262 HydrophobicContact CD1-CG2 3.7Å; L153-I262 HydrophobicContact CD2-CD1 4.27Å; V162-I262 HydrophobicContact CB-CD1 4.22Å; V162-I262 HydrophobicContact CG2-CD1 3.96Å; L164-I262 HydrophobicContact CB-CD1 4.48Å; L176-I262 HydrophobicContact CD1-CD1 4.23Å; L176-I262 HydrophobicContact CD2-CB 4.24Å; L176-I262 HydrophobicContact CD2-CD1 4.44Å; L176-I262 HydrophobicContact CD2-CG1 4.24Å; M255-I262 HydrophobicContact CE-CG2 4.2Å; C258-I262 WeakPolarHBondContact O-CG2 3.27Å; C258-I262 PolarHBondContact O-N 3.42Å; D259-I262 WeakPolarHBondContact O-CG2 3.39Å; A260-I262 PolarHBondContact O-N 3.42Å; I262-L266 HydrophobicContact CG1-CD1 4.44Å; I262-L266 WeakPolarHBondContact O-CB 3.23Å; I262-L266 VanDerWaalsContact O-CG 3.24Å; I262-L266 WeakPolarHBondContact O-CG 3.45Å; I262-L266 PolarHBondContact O-N 3.05Å
263T94.2Very high94.2Very high44 Ų4457 Ų5727%0.2730%0.302SS..Hα-helixtrans-66.6-43.4176.1-61.80000111.4Q150 D259 A260 L261 L266 T267Q150-T263 PolarHBondContact NE2-O 3.39Å; D259-T263 VanDerWaalsContact O-CB 3.28Å; D259-T263 WeakPolarHBondContact O-CB 3.34Å; D259-T263 PolarHBondContact O-N 3.23Å; D259-T263 PolarHBondContact O-OG1 3.01Å; A260-T263 PolarHBondContact O-N 3.01Å; L261-T263 VanDerWaalsContact C-N 3.33Å; T263-L266 PolarHBondContact O-N 2.91Å; T263-T267 PolarHBondContact O-N 3.41Å; T263-T267 PolarHBondContact O-OG1 3.07Å
264D93.8Very high94.2Very high90 Ų9062.3 Ų62.348%0.48132%0.322SS..Hα-helixtrans-63.8-48.7175.3-68.6-17.8000110.3A260 L261 L266 T267 E268A260-D264 WeakPolarHBondContact O-CB 3.3Å; A260-D264 PolarHBondContact O-N 3.44Å; L261-D264 PolarHBondContact O-N 2.68Å; D264-L266 VanDerWaalsContact C-N 3.34Å; D264-L266 PolarHBondContact O-N 3.43Å; D264-T267 WeakPolarHBondContact O-CB 3.29Å; D264-T267 PolarHBondContact O-N 3.04Å; D264-T267 VanDerWaalsContact O-N 3.11Å; D264-E268 WeakPolarHBondContact O-CB 3.49Å; D264-E268 WeakPolarHBondContact O-CG 3.5Å; D264-E268 PolarHBondContact O-N 3.24Å
265L94.7Very high94.2Very high10 Ų1067.4 Ų67.45%0.05236%0.355CS..Hα-helixtrans-53.6-50.4175.2-78.9171.6000111.3L164 H174 L176 S182 L261 T267 E268 L269L164-L265 HydrophobicContact CD2-CB 4.24Å; L164-L265 HydrophobicContact CD2-CD1 4.38Å; H174-L265 HydrophobicContact CB-CD1 4.4Å; L176-L265 HydrophobicContact CD2-CD1 3.82Å; S182-L265 WeakPolarHBondContact OG-CD2 3.17Å; L261-L265 HydrophobicContact CD1-CD1 4.38Å; L261-L265 HydrophobicContact CD1-CG 4.37Å; L261-L265 HydrophobicContact CG-CD1 4.13Å; L261-L265 WeakPolarHBondContact O-CB 3.47Å; L261-L265 WeakPolarHBondContact O-CG 3.42Å; L261-L265 PolarHBondContact O-N 2.84Å; L265-T267 VanDerWaalsContact C-N 3.34Å; L265-T267 PolarHBondContact O-N 3.27Å; L265-E268 PolarHBondContact O-N 3.46Å; L265-L269 VanDerWaalsContact O-CG 3.3Å; L265-L269 WeakPolarHBondContact O-CG 2.97Å; L265-L269 PolarHBondContact O-N 2.98Å
266L95.7Very high94.3Very high2 Ų270.4 Ų70.41%0.0137%0.374CS..Hα-helixtrans-59.3-45.1178.1-75.1170.2000111.2I133 K146 I149 Q150 L153 L164 I262 T263 D264 E268 L269I133-L266 HydrophobicContact CD1-CD2 3.59Å; K146-L266 WeakPolarHBondContact CD-O 3.46Å; I149-L266 HydrophobicContact CG2-CD1 3.72Å; I149-L266 HydrophobicContact CG2-CD2 4.09Å; Q150-L266 HydrophobicContact CG-CB 3.97Å; Q150-L266 HydrophobicContact CG-CD1 3.83Å; L153-L266 HydrophobicContact CD1-CD1 3.52Å; L153-L266 HydrophobicContact CG-CD1 4.44Å; L164-L266 HydrophobicContact CD1-CD2 4.35Å; I262-L266 HydrophobicContact CG1-CD1 4.44Å; I262-L266 WeakPolarHBondContact O-CB 3.23Å; I262-L266 VanDerWaalsContact O-CG 3.24Å; I262-L266 WeakPolarHBondContact O-CG 3.45Å; I262-L266 PolarHBondContact O-N 3.05Å; T263-L266 PolarHBondContact O-N 2.91Å; D264-L266 VanDerWaalsContact C-N 3.34Å; D264-L266 PolarHBondContact O-N 3.43Å; L266-E268 VanDerWaalsContact C-N 3.32Å; L266-E268 PolarHBondContact O-N 3.48Å; L266-L269 HydrophobicContact CD2-CD1 3.96Å; L266-L269 WeakPolarHBondContact O-CB 3.35Å; L266-L269 PolarHBondContact O-N 3.12Å
267T94.9Very high94.4Very high80 Ų8068.3 Ų68.349%0.49137%0.371SS..Hα-helixtrans-59.2-44.9178.3-55.50000111.4Q150 T263 D264 L265 L269Q150-T267 PolarHBondContact NE2-OG1 3.33Å; T263-T267 PolarHBondContact O-N 3.41Å; T263-T267 PolarHBondContact O-OG1 3.07Å; D264-T267 WeakPolarHBondContact O-CB 3.29Å; D264-T267 PolarHBondContact O-N 3.04Å; D264-T267 VanDerWaalsContact O-N 3.11Å; L265-T267 VanDerWaalsContact C-N 3.34Å; L265-T267 PolarHBondContact O-N 3.27Å; T267-L269 VanDerWaalsContact C-N 3.35Å
268E94Very high94.7Very high123 Ų12369.6 Ų69.658%0.57539%0.385SS*.Hα-helixtrans-77.8-15-176.9-68.2179.4175.100113.9D264 L265 L266 Q270D264-E268 WeakPolarHBondContact O-CB 3.49Å; D264-E268 WeakPolarHBondContact O-CG 3.5Å; D264-E268 PolarHBondContact O-N 3.24Å; L265-E268 PolarHBondContact O-N 3.46Å; L266-E268 VanDerWaalsContact C-N 3.32Å; L266-E268 PolarHBondContact O-N 3.48Å; E268-Q270 PolarHBondContact O-N 2.76Å; E268-Q270 PolarHBondContact O-NE2 3.21Å
269L95.7Very high94.8Very high17 Ų1771.3 Ų71.39%0.08940%0.402CS..  trans-53.8127.2179.1-79-177.4000111I133 F142 K146 T166 L265 L266 T267I133-L269 HydrophobicContact CD1-CD1 4.2Å; F142-L269 HydrophobicContact CE1-CB 4.2Å; F142-L269 HydrophobicContact CZ-CB 3.99Å; F142-L269 HydrophobicContact CZ-CD1 4.47Å; K146-L269 HydrophobicContact CD-CB 4.12Å; K146-L269 PolarHBondContact NZ-O 2.87Å; T166-L269 HydrophobicContact CG2-CD1 3.84Å; T166-L269 HydrophobicContact CG2-CD2 3.84Å; L265-L269 VanDerWaalsContact O-CG 3.3Å; L265-L269 WeakPolarHBondContact O-CG 2.97Å; L265-L269 PolarHBondContact O-N 2.98Å; L266-L269 HydrophobicContact CD2-CD1 3.96Å; L266-L269 WeakPolarHBondContact O-CB 3.35Å; L266-L269 PolarHBondContact O-N 3.12Å; T267-L269 VanDerWaalsContact C-N 3.35Å
270Q94.5Very high95Very high133 Ų13370.1 Ų70.162%0.62139%0.393SS*.  trans-105.3154.9176.5-59.8-55.5-57.500110.7E268E268-Q270 PolarHBondContact O-N 2.76Å; E268-Q270 PolarHBondContact O-NE2 3.21Å
271P95.5Very high95.3Very high45 Ų4568 Ų6829%0.29237%0.371SS..  trans-53.3156.3166.6-25.835.2000112.2T135 E139 F142 P273T135-P271 CarbonylContact O-C 3.54Å; T135-P271 VanDerWaalsContact O-CA 3.29Å; T135-P271 WeakPolarHBondContact O-CA 3.38Å; E139-P271 HydrophobicContact CG-CG 4.35Å; F142-P271 HydrophobicContact CD1-CG 4.1Å; P271-P273 VanDerWaalsContact O-N 3.16Å
272D96.4Very high95.5Very high26 Ų2667.6 Ų67.614%0.13937%0.37CS..  trans-52.3121.5-179.2-169.252.8000109.8T135 K169 W274T135-D272 PolarHBondContact O-N 3.14Å; K169-D272 PolarHBondContact N-OD1 3.45Å; K169-D272 PolarHBondContact N-OD2 3.04Å; D272-W274 PolarHBondContact O-N 3.44Å; D272-W274 VanDerWaalsContact O-N 3.1Å
273P94.3Very high95.7Very high113 Ų11369.7 Ų69.773%0.73438%0.381SS*.  trans-76.4-2.3-167.430.2-37.5000113.4P271P271-P273 VanDerWaalsContact O-N 3.16Å
274W94.5Very high95.9Very high117 Ų11768.8 Ų68.844%0.44337%0.373SS..SBendtrans-82.1124.7-175.6-63.295000110.6K169 M170 D272 V276K169-W274 HydrophobicContact CB-CB 4.48Å; K169-W274 HydrophobicContact CB-CG 3.97Å; K169-W274 HydrophobicContact CD-CB 4.07Å; K169-W274 HydrophobicContact CD-CD2 3.5Å; K169-W274 HydrophobicContact CD-CE3 4Å; K169-W274 HydrophobicContact CD-CG 3.51Å; K169-W274 HydrophobicContact CD-CZ2 4.48Å; K169-W274 HydrophobicContact CG-CG 4.4Å; M170-W274 HydrophobicContact CG-CZ2 4.37Å; D272-W274 PolarHBondContact O-N 3.44Å; D272-W274 VanDerWaalsContact O-N 3.1Å; W274-V276 PolarHBondContact O-N 3.26Å
275P93.8Very high96.1Very high118 Ų11864.5 Ų64.577%0.76635%0.35SS*.  trans-58.7132.7177.6-24.433.6000111.9P277P275-P277 WeakPolarHBondContact O-CD 3.46Å
276V96.5Very high96.3Very high72 Ų7264.1 Ų64.144%0.43635%0.347SS..  trans-93.6114173.8-174.90000108.5W274 K280 P282W274-V276 PolarHBondContact O-N 3.26Å; V276-K280 HydrophobicContact CG1-CB 4.3Å; V276-K280 WeakPolarHBondContact CG1-O 3.29Å; V276-P282 HydrophobicContact CG2-CB 3.92Å
277P96.3Very high96.4Very high84 Ų8464 Ų6455%0.54535%0.347SS..  trans-61.2151.8177.9-21.933.2000111.9P275 G279 K280P275-P277 WeakPolarHBondContact O-CD 3.46Å; P277-G279 PolarHBondContact O-N 3.1Å; P277-K280 HydrophobicContact CB-CB 4.34Å; P277-K280 HydrophobicContact CB-CG 3.91Å; P277-K280 HydrophobicContact CG-CG 4.27Å; P277-K280 WeakPolarHBondContact O-CB 3.31Å; P277-K280 PolarHBondContact O-N 3.34Å
278Q96.9Very high96.6Very high201 Ų20160.2 Ų60.294%0.93932%0.324SS*.THydrogen-bonded Turntrans-57.3135.7175.4-171.1-178.414.700110.9K280Q278-K280 PolarHBondContact O-N 2.94Å
279G96.6Very high96.9Very high36 Ų3654.3 Ų54.337%0.37130%0.296SS..THydrogen-bonded Turntrans78.45.1-177.200000113.9P277 L328P277-G279 PolarHBondContact O-N 3.1Å; G279-L328 VanDerWaalsContact O-CB 3.3Å; G279-L328 WeakPolarHBondContact O-CB 3.48Å; G279-L328 PolarHBondContact O-N 3.47Å
280K97.9Very high97Very high60 Ų6053.5 Ų53.526%0.26129%0.292SS..BIsolated β-bridgetrans-112.3154.3175.7-58.7-58.7-161.3170.20112.1V276 P277 Q278 D326 D327V276-K280 HydrophobicContact CG1-CB 4.3Å; V276-K280 WeakPolarHBondContact CG1-O 3.29Å; P277-K280 HydrophobicContact CB-CB 4.34Å; P277-K280 HydrophobicContact CB-CG 3.91Å; P277-K280 HydrophobicContact CG-CG 4.27Å; P277-K280 WeakPolarHBondContact O-CB 3.31Å; P277-K280 PolarHBondContact O-N 3.34Å; Q278-K280 PolarHBondContact O-N 2.94Å; K280-D326 CarbonylContact C-O 3.59Å; K280-D326 WeakPolarHBondContact CA-O 3.4Å; K280-D326 WeakPolarHBondContact CD-O 3.49Å; K280-D326 WeakPolarHBondContact CD-OD2 3.37Å; K280-D326 WeakPolarHBondContact CE-OD2 3.39Å; K280-D326 IonicContact NZ-OD1 2.89Å; K280-D326 IonicContact NZ-OD2 3.34Å; K280-D327 HydrophobicContact CD-CB 4.42Å; K280-D327 IonicContact NZ-OD2 2.97Å; K280-D327 PolarHBondContact NZ-OD2 3.33Å
281R97.1Very high97.2Very high24 Ų2447.2 Ų47.29%0.09126%0.262CS..  trans-83.3154.6166.8-61.5-176.3-179.181.510.1109.6T317 D325 D326 D327 L328 N330R281-T317 HydrophobicContact CB-CG2 4.03Å; R281-D325 PolarHBondContact NH1-O 3.06Å; R281-D326 PolarHBondContact N-O 3.45Å; R281-D327 VanDerWaalsContact NH1-C 3.32Å; R281-D327 PolarHBondContact NH1-O 3.41Å; R281-L328 HydrophobicContact CG-CD2 3.56Å; R281-L328 HydrophobicContact CG-CG 4.12Å; R281-N330 VanDerWaalsContact CZ-O 3.25Å; R281-N330 PolarHBondContact NH1-O 2.81Å; R281-N330 PolarHBondContact NH2-O 3.21Å
282P97.5Very high97.3Very high24 Ų2445 Ų4516%0.15625%0.248CC..  trans-58.5147.816626.3-34.6000111C136 V276 R284 T317C136-P282 HydrophobicContact CB-CB 3.73Å; C136-P282 HydrophobicContact CB-CG 3.93Å; V276-P282 HydrophobicContact CG2-CB 3.92Å; P282-R284 PolarHBondContact O-N 2.88Å; P282-T317 PolarHBondContact O-OG1 3.16Å
283L98.4Very high97.4Very high45 Ų4543.8 Ų43.824%0.23624%0.242CC..  trans-80.3107.5177.1-66.5176.9000109.2G168 K169 T317 Q318 D326G168-L283 CarbonylContact C-O 3.36Å; G168-L283 VanDerWaalsContact O-O 3.06Å; K169-L283 VanDerWaalsContact CA-O 3.3Å; K169-L283 WeakPolarHBondContact CA-O 3.46Å; K169-L283 HydrophobicContact CB-CB 4.03Å; K169-L283 HydrophobicContact CD-CD1 3.89Å; K169-L283 HydrophobicContact CG-CB 4.06Å; K169-L283 HydrophobicContact CG-CD1 3.85Å; K169-L283 PolarHBondContact N-O 3.06Å; L283-T317 VanDerWaalsContact CA-OG1 3.29Å; L283-T317 WeakPolarHBondContact CA-OG1 3.39Å; L283-Q318 HydrophobicContact CB-CG 4.21Å; L283-Q318 HydrophobicContact CD2-CB 4.4Å; L283-D326 HydrophobicContact CD2-CB 3.92Å
284R98.3Very high97.6Very high25 Ų2538.5 Ų38.59%0.09421%0.207CC..  trans-110.8118.7-176.8-75.1178.2175.3142.60.2110.7D134 C136 P282 V286 G313 P315 C316 T317 Q318D134-R284 IonicContact OD1-NE 3.93Å; D134-R284 IonicContact OD2-CZ 2.8Å; D134-R284 IonicContact OD2-NE 3.24Å; D134-R284 PolarHBondContact OD2-NE 3.46Å; D134-R284 VanDerWaalsContact OD2-NE 3.09Å; C136-R284 HydrophobicContact CB-CG 3.66Å; C136-R284 PolarHBondContact O-NH2 3.41Å; P282-R284 PolarHBondContact O-N 2.88Å; R284-V286 HydrophobicContact CB-CG2 4.42Å; R284-V286 PolarHBondContact O-N 3Å; R284-G313 PolarHBondContact NH1-O 2.64Å; R284-G313 PolarHBondContact NH2-O 3.3Å; R284-P315 WeakPolarHBondContact CB-O 3.25Å; R284-P315 VanDerWaalsContact CD-O 3.31Å; R284-P315 WeakPolarHBondContact CD-O 3.21Å; R284-C316 PolarHBondContact O-SG 3.12Å; R284-T317 PolarHBondContact N-OG1 3.17Å; R284-T317 PolarHBondContact O-N 3.41Å; R284-Q318 PolarHBondContact O-N 3.19Å
285S98.6Very high97.7Very high0 Ų033 Ų330%019%0.186CC..  trans-100.148.5-172.8-46.70000113.7G168 K169 G189 G287 T288 A289 Q318G168-S285 WeakPolarHBondContact O-CB 3.19Å; G168-S285 PolarHBondContact O-N 2.97Å; G168-S285 VanDerWaalsContact O-N 3.08Å; G168-S285 PolarHBondContact O-OG 3.17Å; K169-S285 PolarHBondContact O-OG 2.87Å; G189-S285 WeakPolarHBondContact CA-OG 3.31Å; S285-G287 PolarHBondContact O-N 3.07Å; S285-T288 PolarHBondContact O-N 2.86Å; S285-A289 PolarHBondContact O-N 2.94Å; S285-Q318 PolarHBondContact OG-NE2 3.41Å
286V98.8Very high97.8Very high1 Ų127.4 Ų27.41%0.00615%0.15CC..Hα-helixtrans-57.5-48.7-169.7-173.90000112.4F167 R284 T288 A289 L290 L310 L312 C316 L382F167-V286 HydrophobicContact CE2-CB 4.45Å; F167-V286 HydrophobicContact CE2-CG2 3.79Å; F167-V286 HydrophobicContact CZ-CG2 4.29Å; R284-V286 HydrophobicContact CB-CG2 4.42Å; R284-V286 PolarHBondContact O-N 3Å; V286-T288 VanDerWaalsContact C-N 3.34Å; V286-T288 PolarHBondContact O-N 3.45Å; V286-A289 PolarHBondContact O-N 2.82Å; V286-L290 HydrophobicContact CG1-CD1 4.08Å; V286-L290 PolarHBondContact O-N 2.81Å; V286-L310 HydrophobicContact CG1-CD1 4.47Å; V286-L310 HydrophobicContact CG1-CD2 3.97Å; V286-L312 HydrophobicContact CG1-CD1 4.33Å; V286-L312 HydrophobicContact CG2-CD1 3.51Å; V286-C316 HydrophobicContact CB-CB 3.74Å; V286-C316 HydrophobicContact CG2-CB 3.66Å; V286-C316 PolarHBondContact N-SG 3.05Å; V286-L382 HydrophobicContact CG1-CD2 4.22Å
287G98.7Very high97.8Very high0 Ų024 Ų240%013%0.13CC..Hα-helixtrans-65.2-36.3-178.500000113.1S285 S291 P320 H352S285-G287 PolarHBondContact O-N 3.07Å; G287-S291 VanDerWaalsContact O-CB 3.28Å; G287-S291 WeakPolarHBondContact O-CB 3.38Å; G287-S291 PolarHBondContact O-N 3.21Å; G287-S291 PolarHBondContact O-OG 2.88Å; G287-P320 VanDerWaalsContact CA-O 3.3Å; G287-P320 WeakPolarHBondContact CA-O 3.38Å; G287-H352 WeakPolarHBondContact CA-NE2 3.36Å; G287-H352 PolarHBondContact O-NE2 3.49Å
288T98.8Very high97.6Very high0 Ų022.8 Ų22.80%012%0.117CC..Hα-helixtrans-65.8-44.2173.3-59.70000111.4V171 G189 K191 Y193 S285 V286 L290 S291 I292 P320V171-T288 HydrophobicContact CG2-CG2 3.77Å; G189-T288 WeakPolarHBondContact O-CB 3.39Å; G189-T288 PolarHBondContact O-OG1 2.94Å; K191-T288 VanDerWaalsContact O-CG2 3.28Å; K191-T288 WeakPolarHBondContact O-CG2 3.35Å; K191-T288 PolarHBondContact O-OG1 2.83Å; Y193-T288 HydrophobicContact CD2-CG2 3.91Å; Y193-T288 HydrophobicContact CE2-CG2 3.8Å; S285-T288 PolarHBondContact O-N 2.86Å; V286-T288 VanDerWaalsContact C-N 3.34Å; V286-T288 PolarHBondContact O-N 3.45Å; T288-L290 PolarHBondContact O-N 3.45Å; T288-S291 WeakPolarHBondContact O-CB 3.47Å; T288-S291 PolarHBondContact O-N 2.81Å; T288-I292 HydrophobicContact CG2-CD1 3.81Å; T288-I292 WeakPolarHBondContact O-CD1 3.42Å; T288-I292 WeakPolarHBondContact O-CG1 3.43Å; T288-I292 PolarHBondContact O-N 2.82Å; T288-P320 VanDerWaalsContact OG1-CD 3.24Å; T288-P320 WeakPolarHBondContact OG1-CD 3.46Å; T288-P320 WeakPolarHBondContact OG1-CG 3.13Å
289A98.8Very high97.4Very high0 Ų013.9 Ų13.90%08%0.078CC..Hα-helixtrans-60.5-45.4178.400000111.7V132 F167 V171 S285 V286 I292 A293V132-A289 HydrophobicContact CG1-CB 3.97Å; F167-A289 HydrophobicContact CB-CB 3.77Å; F167-A289 HydrophobicContact CD1-CB 3.71Å; F167-A289 HydrophobicContact CD2-CB 4.4Å; F167-A289 HydrophobicContact CE1-CB 4.44Å; F167-A289 HydrophobicContact CG-CB 3.69Å; V171-A289 HydrophobicContact CG1-CB 4.07Å; V171-A289 HydrophobicContact CG2-CB 4.08Å; S285-A289 PolarHBondContact O-N 2.94Å; V286-A289 PolarHBondContact O-N 2.82Å; A289-I292 PolarHBondContact O-N 2.89Å; A289-A293 WeakPolarHBondContact O-CB 3.45Å; A289-A293 PolarHBondContact O-N 3.31Å
290L98.8Very high97.1Very high0 Ų012.4 Ų12.40%06%0.062CC..Hα-helixtrans-66.6-38.7174.8-73.3169.9000112.7V286 T288 I292 A293 V294 V308 L310 Y353 L356 V367 L382 L385V286-L290 HydrophobicContact CG1-CD1 4.08Å; V286-L290 PolarHBondContact O-N 2.81Å; T288-L290 PolarHBondContact O-N 3.45Å; L290-I292 VanDerWaalsContact C-N 3.28Å; L290-I292 PolarHBondContact O-N 3.14Å; L290-A293 PolarHBondContact O-N 2.96Å; L290-V294 WeakPolarHBondContact O-CB 3.4Å; L290-V294 VanDerWaalsContact O-CG2 3.3Å; L290-V294 WeakPolarHBondContact O-CG2 3.49Å; L290-V294 PolarHBondContact O-N 3.44Å; L290-V308 HydrophobicContact CD2-CG1 4.21Å; L290-L310 HydrophobicContact CD1-CD2 4.05Å; L290-L310 HydrophobicContact CD2-CB 4.43Å; L290-L310 HydrophobicContact CD2-CD2 4.21Å; L290-L310 HydrophobicContact CG-CD2 4.32Å; L290-Y353 HydrophobicContact CD1-CD1 4.03Å; L290-Y353 HydrophobicContact CD1-CE1 3.79Å; L290-L356 HydrophobicContact CB-CD1 3.66Å; L290-V367 HydrophobicContact CD2-CG1 4.01Å; L290-L382 HydrophobicContact CD1-CD2 3.94Å; L290-L385 HydrophobicContact CD1-CD1 3.46Å; L290-L385 VanDerWaalsContact CD1-CD1 3.46Å
291S98.6Very high96.8Very high0 Ų09.7 Ų9.70%05%0.05CC..Hα-helixtrans-60.3-40.4176.3-62.70000112D192 G287 T288 G295 H352D192-S291 PolarHBondContact OD1-OG 2.76Å; D192-S291 VanDerWaalsContact OD1-OG 3.07Å; G287-S291 VanDerWaalsContact O-CB 3.28Å; G287-S291 WeakPolarHBondContact O-CB 3.38Å; G287-S291 PolarHBondContact O-N 3.21Å; G287-S291 PolarHBondContact O-OG 2.88Å; T288-S291 WeakPolarHBondContact O-CB 3.47Å; T288-S291 PolarHBondContact O-N 2.81Å; S291-G295 WeakPolarHBondContact O-CA 3.28Å; S291-G295 PolarHBondContact O-N 3.1Å; S291-H352 PolarHBondContact OG-CE1 2.8Å; S291-H352 VanDerWaalsContact OG-CE1 3.27Å; S291-H352 PolarHBondContact OG-NE2 2.82Å
292I98.6Very high96.5Very high0 Ų010.9 Ų10.90%06%0.061CC..Hα-helixtrans-69.2-47.4175.1-67.4160.3000110.7I165 V171 V173 F187 Y193 I198 T288 A289 L290 G295 L296I165-I292 HydrophobicContact CD1-CG2 4.26Å; V171-I292 HydrophobicContact CB-CD1 3.81Å; V171-I292 HydrophobicContact CG1-CD1 3.66Å; V171-I292 HydrophobicContact CG2-CD1 4.27Å; V173-I292 HydrophobicContact CG2-CG2 3.51Å; F187-I292 HydrophobicContact CB-CD1 3.56Å; F187-I292 HydrophobicContact CD1-CD1 4.15Å; F187-I292 HydrophobicContact CD2-CD1 3.97Å; F187-I292 HydrophobicContact CG-CD1 3.63Å; F187-I292 HydrophobicContact CG-CG1 4.45Å; Y193-I292 HydrophobicContact CD2-CD1 4.23Å; Y193-I292 HydrophobicContact CD2-CG1 4.11Å; Y193-I292 HydrophobicContact CE2-CD1 4.41Å; Y193-I292 HydrophobicContact CG-CG1 4.42Å; I198-I292 HydrophobicContact CD1-CB 4.26Å; I198-I292 HydrophobicContact CD1-CG1 3.76Å; I198-I292 HydrophobicContact CD1-CG2 4.21Å; T288-I292 HydrophobicContact CG2-CD1 3.81Å; T288-I292 WeakPolarHBondContact O-CD1 3.42Å; T288-I292 WeakPolarHBondContact O-CG1 3.43Å; T288-I292 PolarHBondContact O-N 2.82Å; A289-I292 PolarHBondContact O-N 2.89Å; L290-I292 VanDerWaalsContact C-N 3.28Å; L290-I292 PolarHBondContact O-N 3.14Å; I292-G295 PolarHBondContact O-N 3.08Å; I292-L296 VanDerWaalsContact O-CB 3.26Å; I292-L296 WeakPolarHBondContact O-CB 3.5Å; I292-L296 PolarHBondContact O-N 3.48Å
293A98.5Very high96.1Very high0 Ų013 Ų130%07%0.071CC..Hα-helixtrans-60-49.5179.400000112.2V132 I165 A289 L290 L296 L297 V308V132-A293 HydrophobicContact CG2-CB 3.97Å; I165-A293 HydrophobicContact CD1-CB 3.73Å; A289-A293 WeakPolarHBondContact O-CB 3.45Å; A289-A293 PolarHBondContact O-N 3.31Å; L290-A293 PolarHBondContact O-N 2.96Å; A293-L296 PolarHBondContact O-N 2.84Å; A293-L297 PolarHBondContact O-N 3.33Å; A293-L297 VanDerWaalsContact O-N 3.12Å; A293-V308 HydrophobicContact CB-CG1 3.95Å; A293-V308 HydrophobicContact CB-CG2 4.22Å
294V98.2Very high95.6Very high2 Ų211.6 Ų11.61%0.0126%0.064CC..Hα-helixtrans-63.4-43.6175.9173.30000110.4L290 L296 L297 E298 R359 A360L290-V294 WeakPolarHBondContact O-CB 3.4Å; L290-V294 VanDerWaalsContact O-CG2 3.3Å; L290-V294 WeakPolarHBondContact O-CG2 3.49Å; L290-V294 PolarHBondContact O-N 3.44Å; V294-L296 PolarHBondContact O-N 2.83Å; V294-L297 PolarHBondContact O-N 2.95Å; V294-E298 WeakPolarHBondContact O-CB 3.23Å; V294-E298 PolarHBondContact O-N 3.01Å; V294-R359 HydrophobicContact CG1-CB 3.81Å; V294-A360 HydrophobicContact CG1-CB 4.29Å; V294-A360 HydrophobicContact CG2-CB 4.2Å
295G96.8Very high95.2Very high0 Ų010.4 Ų10.40%06%0.059CC..Hα-helixtrans-63-37.9177.700000113.6S291 I292 A299S291-G295 WeakPolarHBondContact O-CA 3.28Å; S291-G295 PolarHBondContact O-N 3.1Å; I292-G295 PolarHBondContact O-N 3.08Å; G295-A299 VanDerWaalsContact O-CB 3.23Å; G295-A299 WeakPolarHBondContact O-CB 3.1Å; G295-A299 PolarHBondContact O-N 3.11Å
296L96Very high95.1Very high2 Ų210.4 Ų10.41%0.016%0.059CC..Hα-helixtrans-65.5-47.2177.2176.959.4000111I130 V173 I198 L202 V204 F251 I252 I292 A293 V294 A299 A300I130-L296 HydrophobicContact CD1-CD2 4.28Å; V173-L296 HydrophobicContact CG1-CD2 4.35Å; I198-L296 HydrophobicContact CG2-CB 4.19Å; L202-L296 HydrophobicContact CD1-CD1 4.17Å; V204-L296 HydrophobicContact CB-CD1 4.23Å; V204-L296 HydrophobicContact CG1-CD1 3.96Å; V204-L296 HydrophobicContact CG2-CD1 3.89Å; F251-L296 HydrophobicContact CB-CD2 4.32Å; I252-L296 HydrophobicContact CD1-CD1 4.43Å; I252-L296 HydrophobicContact CD1-CD2 3.88Å; I252-L296 HydrophobicContact CD1-CG 3.83Å; I252-L296 HydrophobicContact CG1-CD2 4.11Å; I292-L296 VanDerWaalsContact O-CB 3.26Å; I292-L296 WeakPolarHBondContact O-CB 3.5Å; I292-L296 PolarHBondContact O-N 3.48Å; A293-L296 PolarHBondContact O-N 2.84Å; V294-L296 PolarHBondContact O-N 2.83Å; L296-A299 PolarHBondContact O-N 2.9Å; L296-A300 VanDerWaalsContact O-CB 3.26Å; L296-A300 WeakPolarHBondContact O-CB 3.11Å; L296-A300 PolarHBondContact O-N 2.66Å
297L95.5Very high95Very high0 Ų010.6 Ų10.60%06%0.06CC..Hα-helixtrans-69.2-38.5177.1-72.8176000113I128 I130 I252 A293 V294 A299 Y301 A306 V308 H365I128-L297 HydrophobicContact CG2-CD2 4.12Å; I130-L297 HydrophobicContact CD1-CD1 3.83Å; I130-L297 HydrophobicContact CD1-CD2 3.53Å; I130-L297 HydrophobicContact CD1-CG 3.43Å; I130-L297 VanDerWaalsContact CD1-CG 3.43Å; I130-L297 HydrophobicContact CG1-CD1 4.43Å; I130-L297 HydrophobicContact CG1-CD2 4.2Å; I130-L297 HydrophobicContact CG1-CG 4.39Å; I252-L297 HydrophobicContact CD1-CD2 4.08Å; A293-L297 PolarHBondContact O-N 3.33Å; A293-L297 VanDerWaalsContact O-N 3.12Å; V294-L297 PolarHBondContact O-N 2.95Å; L297-A299 VanDerWaalsContact C-N 3.33Å; L297-Y301 HydrophobicContact CD2-CD2 4.24Å; L297-Y301 CarbonylContact O-C 3.44Å; L297-Y301 WeakPolarHBondContact O-CA 3.26Å; L297-Y301 PolarHBondContact O-N 2.88Å; L297-A306 HydrophobicContact CD1-CB 3.83Å; L297-A306 HydrophobicContact CD2-CB 3.67Å; L297-A306 HydrophobicContact CG-CB 4.35Å; L297-V308 HydrophobicContact CD1-CG2 3.5Å; L297-V308 VanDerWaalsContact CD1-CG2 3.5Å; L297-H365 WeakPolarHBondContact CB-NE2 3.39Å; L297-H365 HydrophobicContact CD1-CB 4.46Å; L297-H365 PolarHBondContact O-NE2 3.27Å
298E92.6Very high95Very high58 Ų5810.6 Ų10.627%0.2716%0.06SC..Hα-helixtrans-60.1-42.9174.3173.6175.1-15900111.3V294 R359V294-E298 WeakPolarHBondContact O-CB 3.23Å; V294-E298 PolarHBondContact O-N 3.01Å; E298-R359 IonicContact OE2-CZ 3.9Å; E298-R359 IonicContact OE2-NE 2.76Å; E298-R359 PolarHBondContact OE2-NE 2.73Å; E298-R359 VanDerWaalsContact OE2-NE 3.12Å; E298-R359 IonicContact OE2-NH2 2.76Å; E298-R359 PolarHBondContact OE2-NH2 3.11Å
299A91.9Very high95Very high15 Ų1510.6 Ų10.612%0.1246%0.06CC..Hα-helixtrans-75.4-41.4-179.500000113.3Q199 V204 G205 G295 L296 L297Q199-A299 HydrophobicContact CB-CB 3.86Å; Q199-A299 HydrophobicContact CG-CB 4.02Å; V204-A299 HydrophobicContact CG2-CB 4.18Å; G205-A299 VanDerWaalsContact CA-O 3.29Å; G205-A299 WeakPolarHBondContact CA-O 3.33Å; G295-A299 VanDerWaalsContact O-CB 3.23Å; G295-A299 WeakPolarHBondContact O-CB 3.1Å; G295-A299 PolarHBondContact O-N 3.11Å; L296-A299 PolarHBondContact O-N 2.9Å; L297-A299 VanDerWaalsContact C-N 3.33Å
300A90.8Very high95Very high5 Ų510.6 Ų10.64%0.0416%0.06CC..Hα-helixtrans-93.1-37.9-172.600000113.7P247 N249 L296P247-A300 WeakPolarHBondContact CG-O 3.44Å; N249-A300 WeakPolarHBondContact ND2-CB 3.19Å; L296-A300 VanDerWaalsContact O-CB 3.26Å; L296-A300 WeakPolarHBondContact O-CB 3.11Å; L296-A300 PolarHBondContact O-N 2.66Å
301Y90.8Very high95Very high3 Ų310.6 Ų10.61%0.0126%0.06CC..  trans-136.649-168-59.5-72.8000113.6I128 L246 P247 N249 I252 L297 T304 H365I128-Y301 HydrophobicContact CD1-CD1 3.6Å; I128-Y301 HydrophobicContact CD1-CD2 3.7Å; I128-Y301 HydrophobicContact CD1-CE1 4.12Å; I128-Y301 HydrophobicContact CD1-CE2 4.19Å; I128-Y301 HydrophobicContact CD1-CG 3.38Å; L246-Y301 HydrophobicContact CB-CE1 4.08Å; L246-Y301 HydrophobicContact CD1-CE1 4.29Å; L246-Y301 HydrophobicContact CD2-CD1 3.98Å; L246-Y301 HydrophobicContact CD2-CE1 3.92Å; L246-Y301 HydrophobicContact CG-CE1 4.32Å; P247-Y301 HydrophobicContact CG-CE1 4.31Å; P247-Y301 PolarHBondContact O-OH 2.98Å; N249-Y301 HydrophobicContact CB-CE2 4.48Å; I252-Y301 HydrophobicContact CB-CE2 3.98Å; I252-Y301 HydrophobicContact CD1-CD2 3.92Å; I252-Y301 HydrophobicContact CD1-CE2 3.65Å; I252-Y301 HydrophobicContact CG1-CE2 4.37Å; I252-Y301 HydrophobicContact CG2-CE2 3.95Å; L297-Y301 HydrophobicContact CD2-CD2 4.24Å; L297-Y301 CarbonylContact O-C 3.44Å; L297-Y301 WeakPolarHBondContact O-CA 3.26Å; L297-Y301 PolarHBondContact O-N 2.88Å; Y301-T304 VanDerWaalsContact O-CB 3.29Å; Y301-T304 WeakPolarHBondContact O-CB 3.34Å; Y301-T304 PolarHBondContact O-N 3.4Å; Y301-T304 PolarHBondContact O-OG1 3.5Å; Y301-H365 PolarHBondContact O-CE1 3.47Å; Y301-H365 PolarHBondContact O-NE2 3.44Å
302P90.7Very high95Very high48 Ų4810.6 Ų10.631%0.3126%0.06SC..THydrogen-bonded Turntrans-61.8145.7179.528.8-36000111.6T304 N363P302-T304 PolarHBondContact O-N 3.11Å; P302-T304 PolarHBondContact O-OG1 3.08Å; P302-N363 WeakPolarHBondContact CB-OD1 3.36Å
303N88.9Confident94.9Very high69 Ų6911.2 Ų11.237%0.3697%0.066SC..THydrogen-bonded Turntrans58.533.6178.6-48.4-75.7000113.9N363 L364N303-N363 VanDerWaalsContact CA-O 3.25Å; N303-N363 WeakPolarHBondContact CA-O 3.48Å; N303-N363 PolarHBondContact N-O 3.13Å; N303-L364 HydrophobicContact CB-CD1 4.19Å
304T88.4Confident94.9Very high15 Ų1511.2 Ų11.29%0.0927%0.066CC..SBendtrans-121.6142.8-179.3-60.70000109.2V125 I128 Y301 P302 A306 H365V125-T304 HydrophobicContact CB-CG2 4.4Å; V125-T304 HydrophobicContact CG1-CG2 3.34Å; I128-T304 HydrophobicContact CD1-CG2 3.86Å; I128-T304 HydrophobicContact CG1-CG2 4.41Å; Y301-T304 VanDerWaalsContact O-CB 3.29Å; Y301-T304 WeakPolarHBondContact O-CB 3.34Å; Y301-T304 PolarHBondContact O-N 3.4Å; Y301-T304 PolarHBondContact O-OG1 3.5Å; P302-T304 PolarHBondContact O-N 3.11Å; P302-T304 PolarHBondContact O-OG1 3.08Å; T304-A306 PolarHBondContact O-N 3.31Å; T304-H365 PolarHBondContact O-CE1 3.47Å; T304-H365 PolarHBondContact O-ND1 2.79Å
305G90.6Very high94.9Very high0 Ų011.4 Ų11.40%07%0.068CC..  trans-63.296.5173.500000112.1I128I128-G305 PolarHBondContact N-O 2.85Å
306A95.4Very high95Very high0 Ų011.4 Ų11.40%07%0.068CC..EExtended strand (participates in β ladder)trans-128.3146.9175.600000111.1I128 L297 T304 H365 V366I128-A306 HydrophobicContact CB-CB 3.71Å; I128-A306 HydrophobicContact CD1-CB 4.35Å; I128-A306 HydrophobicContact CG1-CB 4.36Å; I128-A306 HydrophobicContact CG2-CB 4.28Å; I128-A306 CarbonylContact O-C 3.58Å; I128-A306 VanDerWaalsContact O-CA 3.32Å; I128-A306 WeakPolarHBondContact O-CA 3.45Å; L297-A306 HydrophobicContact CD1-CB 3.83Å; L297-A306 HydrophobicContact CD2-CB 3.67Å; L297-A306 HydrophobicContact CG-CB 4.35Å; T304-A306 PolarHBondContact O-N 3.31Å; A306-H365 WeakPolarHBondContact CB-ND1 3.18Å; A306-V366 PolarHBondContact O-N 3.36Å
307R97.7Very high95.1Very high5 Ų511.5 Ų11.52%0.0197%0.069CC..EExtended strand (participates in β ladder)trans-124122.1179.6-51.5-16976.1162.35.6110.3I128 F129 I130 V366 D368 H392 M422 L424I128-R307 PolarHBondContact O-N 3.17Å; F129-R307 CarbonylContact C-O 3.44Å; F129-R307 WeakPolarHBondContact CA-O 3.44Å; F129-R307 HydrophobicContact CD1-CB 4.21Å; F129-R307 HydrophobicContact CE1-CG 4.41Å; I130-R307 PolarHBondContact N-O 2.98Å; R307-V366 CarbonylContact C-O 3.58Å; R307-V366 WeakPolarHBondContact CA-O 3.23Å; R307-V366 HydrophobicContact CB-CB 4.26Å; R307-V366 HydrophobicContact CG-CB 3.98Å; R307-V366 HydrophobicContact CG-CG2 4.24Å; R307-D368 IonicContact CZ-OD1 3.7Å; R307-D368 IonicContact CZ-OD2 3.71Å; R307-D368 IonicContact NE-OD1 2.74Å; R307-D368 IonicContact NE-OD2 3.56Å; R307-D368 PolarHBondContact NE-OD2 3.43Å; R307-D368 IonicContact NH2-OD1 3.8Å; R307-D368 PolarHBondContact NH2-OD1 3.26Å; R307-D368 IonicContact NH2-OD2 3.87Å; R307-D368 PolarHBondContact NH2-OD2 3.12Å; R307-H392 PolarHBondContact NH2-CD2 3.08Å; R307-H392 PolarHBondContact NH2-NE2 3.16Å; R307-M422 PolarHBondContact NH1-SD 3.27Å; R307-L424 HydrophobicContact CG-CD2 4.02Å
308V98.8Very high95.2Very high1 Ų112.6 Ų12.61%0.0067%0.074CC..EExtended strand (participates in β ladder)trans-88120.6165.9-179.20000107.1I130 V132 L290 A293 L297 V366 V367 D368I130-V308 CarbonylContact O-C 3.46Å; V132-V308 HydrophobicContact CG2-CG1 3.54Å; L290-V308 HydrophobicContact CD2-CG1 4.21Å; A293-V308 HydrophobicContact CB-CG1 3.95Å; A293-V308 HydrophobicContact CB-CG2 4.22Å; L297-V308 HydrophobicContact CD1-CG2 3.5Å; L297-V308 VanDerWaalsContact CD1-CG2 3.5Å; V308-V366 PolarHBondContact N-O 3.38Å; V308-V367 HydrophobicContact CB-CG1 4.39Å; V308-V367 HydrophobicContact CB-CG2 4.27Å; V308-V367 CarbonylContact O-C 3.57Å; V308-V367 WeakPolarHBondContact O-CA 3.31Å; V308-D368 PolarHBondContact O-N 3.48Å
309M98.7Very high95.5Very high0 Ų011 Ų110%07%0.073CC..EExtended strand (participates in β ladder)trans-107.396.3179.1-56.7-173.878.700108.4F129 I130 F131 V132 F311 F370 Y408 V411 F412F129-M309 HydrophobicContact CD1-SD 3.93Å; I130-M309 PolarHBondContact O-N 2.9Å; F131-M309 HydrophobicContact CD1-SD 4.41Å; F131-M309 HydrophobicContact CE1-SD 3.94Å; F131-M309 HydrophobicContact CZ-SD 4.44Å; V132-M309 PolarHBondContact N-O 3.28Å; M309-F311 HydrophobicContact CB-CE2 3.81Å; M309-F311 HydrophobicContact CB-CZ 4.21Å; M309-F311 WeakPolarHBondContact O-CD2 3.49Å; M309-F311 WeakPolarHBondContact O-CE2 3.29Å; M309-F370 HydrophobicContact CB-CE2 4.12Å; M309-F370 HydrophobicContact CE-CE2 3.52Å; M309-F370 HydrophobicContact CE-CZ 3.72Å; M309-F370 HydrophobicContact CG-CE2 4.44Å; M309-Y408 HydrophobicContact CE-CE2 3.64Å; M309-V411 HydrophobicContact CE-CG1 4.17Å; M309-F412 HydrophobicContact CE-CE2 4.3Å; M309-F412 HydrophobicContact CE-CZ 3.75Å; M309-F412 HydrophobicContact SD-CZ 4.11Å
310L98.9Very high95.8Very high0 Ų011.5 Ų11.50%08%0.075CC..EExtended strand (participates in β ladder)trans-84.3123178.517566.9000110.3V132 F167 V286 L290 L312 D368 I369 F370V132-L310 HydrophobicContact CB-CD1 4.15Å; V132-L310 HydrophobicContact CG1-CD1 3.85Å; V132-L310 CarbonylContact O-C 3.57Å; V132-L310 WeakPolarHBondContact O-CA 3.48Å; F167-L310 HydrophobicContact CE1-CD1 3.6Å; F167-L310 HydrophobicContact CZ-CD1 3.81Å; V286-L310 HydrophobicContact CG1-CD1 4.47Å; V286-L310 HydrophobicContact CG1-CD2 3.97Å; L290-L310 HydrophobicContact CD1-CD2 4.05Å; L290-L310 HydrophobicContact CD2-CB 4.43Å; L290-L310 HydrophobicContact CD2-CD2 4.21Å; L290-L310 HydrophobicContact CG-CD2 4.32Å; L310-L312 HydrophobicContact CG-CB 4.5Å; L310-D368 WeakPolarHBondContact CB-O 3.35Å; L310-D368 PolarHBondContact N-O 2.85Å; L310-I369 HydrophobicContact CD2-CG1 4.37Å; L310-I369 HydrophobicContact CD2-CG2 4.32Å; L310-F370 PolarHBondContact O-N 2.84Å
311F98.7Very high96.1Very high0 Ų011.5 Ų11.50%08%0.075CC..EExtended strand (participates in β ladder)trans-107.5124.2170.8-57.7-92.2000109.1F131 V132 I133 D134 L145 I149 M309 F370 F399 F404 Y408F131-F311 AromaticContact CD1-CE2 3.88Å; F131-F311 HydrophobicContact CD1-CE2 3.88Å; F131-F311 HydrophobicContact CD1-CZ 4.31Å; V132-F311 PolarHBondContact O-N 2.95Å; I133-F311 HydrophobicContact CG1-CD2 4.27Å; D134-F311 VanDerWaalsContact CB-O 3.27Å; D134-F311 WeakPolarHBondContact CB-O 3.34Å; D134-F311 PolarHBondContact N-O 2.9Å; D134-F311 VanDerWaalsContact N-O 3.11Å; L145-F311 HydrophobicContact CD1-CB 3.98Å; L145-F311 HydrophobicContact CD1-CD1 3.37Å; L145-F311 HydrophobicContact CD1-CE1 4.03Å; L145-F311 HydrophobicContact CD1-CG 3.79Å; L145-F311 HydrophobicContact CD2-CB 3.88Å; L145-F311 HydrophobicContact CD2-CG 4.5Å; I149-F311 HydrophobicContact CD1-CD1 4.4Å; I149-F311 HydrophobicContact CD1-CD2 3.87Å; I149-F311 HydrophobicContact CD1-CE1 4.33Å; I149-F311 HydrophobicContact CD1-CE2 3.84Å; I149-F311 HydrophobicContact CD1-CG 4.16Å; I149-F311 HydrophobicContact CD1-CZ 4.06Å; I149-F311 HydrophobicContact CG1-CE1 4.14Å; I149-F311 HydrophobicContact CG1-CE2 4.15Å; I149-F311 HydrophobicContact CG1-CZ 3.89Å; M309-F311 HydrophobicContact CB-CE2 3.81Å; M309-F311 HydrophobicContact CB-CZ 4.21Å; M309-F311 WeakPolarHBondContact O-CD2 3.49Å; M309-F311 WeakPolarHBondContact O-CE2 3.29Å; F311-F370 WeakPolarHBondContact CA-O 3.47Å; F311-F370 HydrophobicContact CD1-CB 3.62Å; F311-F370 HydrophobicContact CD1-CD2 4.13Å; F311-F370 HydrophobicContact CD1-CG 4.07Å; F311-F370 HydrophobicContact CE1-CB 3.94Å; F311-F370 AromaticContact CE1-CD2 3.77Å; F311-F370 HydrophobicContact CE1-CD2 3.77Å; F311-F370 HydrophobicContact CE1-CE2 4.49Å; F311-F370 AromaticContact CE1-CG 3.87Å; F311-F370 HydrophobicContact CE1-CG 3.87Å; F311-F370 HydrophobicContact CG-CB 4.37Å; F311-F370 AromaticContact CZ-CD2 3.98Å; F311-F370 HydrophobicContact CZ-CD2 3.98Å; F311-F370 HydrophobicContact CZ-CE2 4.4Å; F311-F399 HydrophobicContact CB-CZ 4.46Å; F311-F399 HydrophobicContact CD1-CE1 4.32Å; F311-F404 HydrophobicContact CE1-CZ 4.47Å; F311-Y408 HydrophobicContact CE1-CD2 4.11Å; F311-Y408 AromaticContact CE1-CE2 3.54Å; F311-Y408 HydrophobicContact CE1-CE2 3.54Å; F311-Y408 AromaticContact CE1-CZ 3.85Å; F311-Y408 AromaticContact CZ-CE2 3.53Å; F311-Y408 HydrophobicContact CZ-CE2 3.53Å; F311-Y408 AromaticContact CZ-CZ 3.66Å; F311-Y408 WeakPolarHBondContact CZ-OH 3.16Å
312L98.2Very high96.5Very high0 Ų013.7 Ų13.70%09%0.086CC..EExtended strand (participates in β ladder)trans-132.9125.2-166.6-172.163.5000111.7F167 V286 L310 G314 F370 C372 L382F167-L312 HydrophobicContact CE2-CD1 4.3Å; F167-L312 HydrophobicContact CZ-CD1 4Å; V286-L312 HydrophobicContact CG1-CD1 4.33Å; V286-L312 HydrophobicContact CG2-CD1 3.51Å; L310-L312 HydrophobicContact CG-CB 4.5Å; L312-G314 WeakPolarHBondContact CD1-O 3.42Å; L312-G314 WeakPolarHBondContact CG-O 3.3Å; L312-F370 PolarHBondContact N-O 3.31Å; L312-C372 PolarHBondContact O-N 3.19Å; L312-L382 HydrophobicContact CD2-CD1 3.69Å
313G97.8Very high96.8Very high12 Ų1211.7 Ų11.712%0.1247%0.073CC..SBendtrans-999.9179.500000115.5D134 R284 C372D134-G313 PolarHBondContact OD2-N 3.36Å; R284-G313 PolarHBondContact NH1-O 2.64Å; R284-G313 PolarHBondContact NH2-O 3.3Å; G313-C372 WeakPolarHBondContact CA-O 3.41Å
314G97.7Very high97.3Very high0 Ų08.6 Ų8.60%06%0.056CC..SBendtrans149.1-169.4-179.500000112.4L312L312-G314 WeakPolarHBondContact CD1-O 3.42Å; L312-G314 WeakPolarHBondContact CG-O 3.3Å
315P98.2Very high97.7Very high6 Ų68.8 Ų8.84%0.0396%0.057CC..  trans-79.7156.3-160.330.5-34.7000114.2R284 T317 V323 V324 I332 Q376 T377R284-P315 WeakPolarHBondContact CB-O 3.25Å; R284-P315 VanDerWaalsContact CD-O 3.31Å; R284-P315 WeakPolarHBondContact CD-O 3.21Å; P315-T317 PolarHBondContact O-N 3.35Å; P315-V323 HydrophobicContact CB-CB 4.29Å; P315-V323 HydrophobicContact CB-CG1 4.39Å; P315-V324 HydrophobicContact CB-CG1 3.89Å; P315-V324 HydrophobicContact CG-CG1 3.52Å; P315-I332 HydrophobicContact CB-CD1 3.8Å; P315-I332 HydrophobicContact CG-CD1 4.11Å; P315-Q376 WeakPolarHBondContact CD-O 3.29Å; P315-T377 VanDerWaalsContact CA-O 3.28Å; P315-T377 WeakPolarHBondContact CA-O 3.26Å
316C98.5Very high98Very high1 Ų111.2 Ų11.21%0.0077%0.07CC..  trans-64.2116.1168.6-168.90000109.8R284 V286 Q318 G321 M322 V323 V324 Y353R284-C316 PolarHBondContact O-SG 3.12Å; V286-C316 HydrophobicContact CB-CB 3.74Å; V286-C316 HydrophobicContact CG2-CB 3.66Å; V286-C316 PolarHBondContact N-SG 3.05Å; C316-Q318 PolarHBondContact SG-O 2.77Å; C316-Q318 VanDerWaalsContact SG-O 3.4Å; C316-G321 WeakPolarHBondContact CB-O 3.18Å; C316-M322 CarbonylContact O-C 3.54Å; C316-M322 WeakPolarHBondContact O-CA 3.24Å; C316-V323 HydrophobicContact CB-CG2 4.3Å; C316-V323 PolarHBondContact O-N 3.4Å; C316-V324 PolarHBondContact O-N 2.7Å; C316-Y353 WeakPolarHBondContact CB-OH 3.39Å
317T98.4Very high98.1Very high4 Ų413.1 Ų13.13%0.0258%0.08CC..  trans-108.4-5-175.455.20000114.5R281 P282 L283 R284 P315 V324R281-T317 HydrophobicContact CB-CG2 4.03Å; P282-T317 PolarHBondContact O-OG1 3.16Å; L283-T317 VanDerWaalsContact CA-OG1 3.29Å; L283-T317 WeakPolarHBondContact CA-OG1 3.39Å; R284-T317 PolarHBondContact N-OG1 3.17Å; R284-T317 PolarHBondContact O-N 3.41Å; P315-T317 PolarHBondContact O-N 3.35Å; T317-V324 VanDerWaalsContact CA-O 3.27Å; T317-V324 WeakPolarHBondContact CA-O 3.35Å; T317-V324 HydrophobicContact CG2-CG1 4.06Å
318Q97.9Very high98Very high23 Ų2317.2 Ų17.211%0.10710%0.102CC..SBendtrans-152.9162.5173.864.4165.920.400112.8K169 L283 R284 S285 C316K169-Q318 PolarHBondContact O-NE2 3.14Å; L283-Q318 HydrophobicContact CB-CG 4.21Å; L283-Q318 HydrophobicContact CD2-CB 4.4Å; R284-Q318 PolarHBondContact O-N 3.19Å; S285-Q318 PolarHBondContact OG-NE2 3.41Å; C316-Q318 PolarHBondContact SG-O 2.77Å; C316-Q318 VanDerWaalsContact SG-O 3.4Å
319G98.2Very high97.9Very high25 Ų2525.8 Ų25.826%0.25814%0.139SC..SBendtrans76.8-166.2176.100000113.8M322G319-M322 WeakPolarHBondContact O-CB 3.26Å; G319-M322 PolarHBondContact O-N 2.89Å
320P98.1Very high97.8Very high24 Ų2429.4 Ų29.416%0.15616%0.159CC..THydrogen-bonded Turntrans-63.2144.7175.432.4-38.3000110D192 G287 T288 M322D192-P320 HydrophobicContact CB-CB 4.03Å; D192-P320 HydrophobicContact CB-CG 3.88Å; G287-P320 VanDerWaalsContact CA-O 3.3Å; G287-P320 WeakPolarHBondContact CA-O 3.38Å; T288-P320 VanDerWaalsContact OG1-CD 3.24Å; T288-P320 WeakPolarHBondContact OG1-CD 3.46Å; T288-P320 WeakPolarHBondContact OG1-CG 3.13Å; P320-M322 VanDerWaalsContact C-N 3.29Å; P320-M322 PolarHBondContact O-N 2.82Å
321G98.1Very high97.6Very high5 Ų535.8 Ų35.85%0.05219%0.191CC..THydrogen-bonded Turntrans77.37.8-177.400000115.3C316 V323 H352 Y353C316-G321 WeakPolarHBondContact CB-O 3.18Å; G321-V323 PolarHBondContact O-N 2.82Å; G321-H352 PolarHBondContact N-CD2 3.37Å; G321-Y353 VanDerWaalsContact O-CE2 3.24Å; G321-Y353 WeakPolarHBondContact O-CE2 3.2Å; G321-Y353 PolarHBondContact O-OH 3.27Å
322M98.3Very high97.5Very high50 Ų5036.3 Ų36.325%0.24619%0.194CC..  trans-54.8129.7176.4-178.517357.100111.3C316 G319 P320 V324 Y345 A349C316-M322 CarbonylContact O-C 3.54Å; C316-M322 WeakPolarHBondContact O-CA 3.24Å; G319-M322 WeakPolarHBondContact O-CB 3.26Å; G319-M322 PolarHBondContact O-N 2.89Å; P320-M322 VanDerWaalsContact C-N 3.29Å; P320-M322 PolarHBondContact O-N 2.82Å; M322-V324 WeakPolarHBondContact CG-O 3.35Å; M322-Y345 HydrophobicContact CE-CD1 3.52Å; M322-Y345 HydrophobicContact CE-CE1 3.33Å; M322-Y345 HydrophobicContact CE-CG 4.41Å; M322-Y345 VanDerWaalsContact O-CB 3.29Å; M322-Y345 WeakPolarHBondContact O-CB 3.33Å; M322-Y345 HydrophobicContact SD-CE1 4.38Å; M322-A349 WeakPolarHBondContact O-CB 3.49Å
323V98.3Very high97.4Very high5 Ų536.9 Ų36.93%0.0320%0.196CC..  trans-103.7-35.8-175.1172.80000111.4P315 C316 G321 I332 A349 Y353 E381P315-V323 HydrophobicContact CB-CB 4.29Å; P315-V323 HydrophobicContact CB-CG1 4.39Å; C316-V323 HydrophobicContact CB-CG2 4.3Å; C316-V323 PolarHBondContact O-N 3.4Å; G321-V323 PolarHBondContact O-N 2.82Å; V323-I332 HydrophobicContact CG1-CD1 3.69Å; V323-I332 HydrophobicContact CG1-CG1 4.16Å; V323-A349 HydrophobicContact CG2-CB 4.3Å; V323-Y353 HydrophobicContact CG2-CE2 4.5Å; V323-E381 HydrophobicContact CG2-CB 4.3Å; V323-E381 HydrophobicContact CG2-CG 4.37Å
324V97.8Very high97.3Very high4 Ų438.4 Ų38.42%0.02421%0.205CC..SBendtrans-143.2159.7175.367.40000107.7P315 C316 T317 M322 N330P315-V324 HydrophobicContact CB-CG1 3.89Å; P315-V324 HydrophobicContact CG-CG1 3.52Å; C316-V324 PolarHBondContact O-N 2.7Å; T317-V324 VanDerWaalsContact CA-O 3.27Å; T317-V324 WeakPolarHBondContact CA-O 3.35Å; T317-V324 HydrophobicContact CG2-CG1 4.06Å; M322-V324 WeakPolarHBondContact CG-O 3.35Å; V324-N330 WeakPolarHBondContact CG2-O 3.48Å
325D97.2Very high97.1Very high20 Ų2039.8 Ų39.811%0.10721%0.211CC..  trans-84.6178.2170.55556.3000112.2R281 D327 N330 Y345R281-D325 PolarHBondContact NH1-O 3.06Å; D325-D327 PolarHBondContact O-N 2.88Å; D325-D327 WeakPolarHBondContact OD1-CB 3.13Å; D325-D327 PolarHBondContact OD1-N 3.24Å; D325-D327 VanDerWaalsContact OD1-N 3.08Å; D325-N330 VanDerWaalsContact CG-ND2 3.32Å; D325-N330 WeakPolarHBondContact OD1-CB 3.22Å; D325-N330 PolarHBondContact OD1-ND2 2.93Å; D325-N330 PolarHBondContact OD2-ND2 3.09Å; D325-Y345 HydrophobicContact CB-CE2 4.06Å; D325-Y345 WeakPolarHBondContact CB-OH 3.33Å; D325-Y345 PolarHBondContact OD2-OH 2.96Å
326D97.2Very high96.9Very high51 Ų5144.4 Ų44.427%0.27323%0.232SC..SBendtrans-73.5-11.9-179.171.6-42.8000112.9K280 R281 L283 L328K280-D326 CarbonylContact C-O 3.59Å; K280-D326 WeakPolarHBondContact CA-O 3.4Å; K280-D326 WeakPolarHBondContact CD-O 3.49Å; K280-D326 WeakPolarHBondContact CD-OD2 3.37Å; K280-D326 WeakPolarHBondContact CE-OD2 3.39Å; K280-D326 IonicContact NZ-OD1 2.89Å; K280-D326 IonicContact NZ-OD2 3.34Å; R281-D326 PolarHBondContact N-O 3.45Å; L283-D326 HydrophobicContact CD2-CB 3.92Å; D326-L328 PolarHBondContact O-N 2.98Å
327D97.6Very high96.7Very high39 Ų3945.8 Ų45.821%0.20924%0.239CC..BIsolated β-bridgetrans-80.7118.4-177.6-155.2-50.8000111.9K280 R281 D325 K329 N330K280-D327 HydrophobicContact CD-CB 4.42Å; K280-D327 IonicContact NZ-OD2 2.97Å; K280-D327 PolarHBondContact NZ-OD2 3.33Å; R281-D327 VanDerWaalsContact NH1-C 3.32Å; R281-D327 PolarHBondContact NH1-O 3.41Å; D325-D327 PolarHBondContact O-N 2.88Å; D325-D327 WeakPolarHBondContact OD1-CB 3.13Å; D325-D327 PolarHBondContact OD1-N 3.24Å; D325-D327 VanDerWaalsContact OD1-N 3.08Å; D327-K329 PolarHBondContact O-N 3.17Å; D327-K329 VanDerWaalsContact O-N 3.09Å; D327-K329 VanDerWaalsContact OD1-CB 3.27Å; D327-K329 WeakPolarHBondContact OD1-CB 3.35Å; D327-K329 VanDerWaalsContact OD1-CG 3.31Å; D327-K329 WeakPolarHBondContact OD1-CG 3.33Å; D327-K329 PolarHBondContact OD1-N 3.07Å; D327-N330 PolarHBondContact O-N 3.1Å
328L96Very high96.5Very high92 Ų9247.7 Ų47.748%0.48225%0.248SC..THydrogen-bonded Turntrans-62-19.4179.3-74.9171.5000113.1G279 R281 D326 N330G279-L328 VanDerWaalsContact O-CB 3.3Å; G279-L328 WeakPolarHBondContact O-CB 3.48Å; G279-L328 PolarHBondContact O-N 3.47Å; R281-L328 HydrophobicContact CG-CD2 3.56Å; R281-L328 HydrophobicContact CG-CG 4.12Å; D326-L328 PolarHBondContact O-N 2.98Å; L328-N330 PolarHBondContact O-N 3.12Å
329K96.6Very high96.1Very high181 Ų18152.6 Ų52.679%0.78727%0.271SS*.THydrogen-bonded Turntrans-63.3-29.5171.8-65.7176.7-179.8177.80112.4D327 I331D327-K329 PolarHBondContact O-N 3.17Å; D327-K329 VanDerWaalsContact O-N 3.09Å; D327-K329 VanDerWaalsContact OD1-CB 3.27Å; D327-K329 WeakPolarHBondContact OD1-CB 3.35Å; D327-K329 VanDerWaalsContact OD1-CG 3.31Å; D327-K329 WeakPolarHBondContact OD1-CG 3.33Å; D327-K329 PolarHBondContact OD1-N 3.07Å; K329-I331 PolarHBondContact O-N 3.13Å
330N95.2Very high95.8Very high76 Ų7658.1 Ų58.141%0.40629%0.288SS..SBendtrans-91.599.2176.5-58-31.4000107.5R281 V324 D325 D327 L328R281-N330 VanDerWaalsContact CZ-O 3.25Å; R281-N330 PolarHBondContact NH1-O 2.81Å; R281-N330 PolarHBondContact NH2-O 3.21Å; V324-N330 WeakPolarHBondContact CG2-O 3.48Å; D325-N330 VanDerWaalsContact CG-ND2 3.32Å; D325-N330 WeakPolarHBondContact OD1-CB 3.22Å; D325-N330 PolarHBondContact OD1-ND2 2.93Å; D325-N330 PolarHBondContact OD2-ND2 3.09Å; D327-N330 PolarHBondContact O-N 3.1Å; L328-N330 PolarHBondContact O-N 3.12Å
331I94.5Very high95.4Very high134 Ų13460.7 Ų60.769%0.68730%0.301SS*.PPolyproline II helixtrans-68.9155.4175.862.3173.2000110.6K329K329-I331 PolarHBondContact O-N 3.13Å
332I96.6Very high95.2Very high10 Ų1065.9 Ų65.95%0.05133%0.327CS..PPolyproline II helixtrans-67.5143172.9-169.9159000109.9P315 V323 D375 Q376P315-I332 HydrophobicContact CB-CD1 3.8Å; P315-I332 HydrophobicContact CG-CD1 4.11Å; V323-I332 HydrophobicContact CG1-CD1 3.69Å; V323-I332 HydrophobicContact CG1-CG1 4.16Å; I332-D375 WeakPolarHBondContact CG2-OD1 3.25Å; I332-Q376 HydrophobicContact CD1-CB 3.78Å; I332-Q376 HydrophobicContact CG1-CB 4.39Å; I332-Q376 HydrophobicContact CG2-CB 4.05Å
333R96.4Very high95Very high13 Ų1364.1 Ų64.15%0.04932%0.32CS..PPolyproline II helixtrans-51.8144.9-177.571.3-70.8168.8-81.45.3114.5D337 Q376 E381 D626R333-D337 HydrophobicContact CB-CB 4.3Å; R333-Q376 PolarHBondContact O-NE2 2.99Å; R333-E381 WeakPolarHBondContact CD-OE1 3.29Å; R333-E381 IonicContact CZ-OE1 3.6Å; R333-E381 IonicContact CZ-OE2 3.09Å; R333-E381 IonicContact NE-OE1 2.68Å; R333-E381 PolarHBondContact NE-OE1 2.91Å; R333-E381 IonicContact NE-OE2 3.77Å; R333-E381 PolarHBondContact NE-OE2 2.85Å; R333-E381 IonicContact NH2-OE1 3.77Å; R333-E381 IonicContact NH2-OE2 3.78Å; R333-E381 PolarHBondContact NH2-OE2 3.4Å; R333-D626 IonicContact CZ-OD1 2.61Å; R333-D626 IonicContact NH1-OD1 3.68Å; R333-D626 IonicContact NH2-OD1 2.62Å; R333-D626 PolarHBondContact NH2-OD1 3.38Å
334S96Very high94.9Very high43 Ų4371.3 Ų71.330%0.30135%0.351SS..  trans-107.7172.2168.168.80000112H336 D337 M338S334-H336 VanDerWaalsContact C-N 3.25Å; S334-H336 PolarHBondContact O-N 3.48Å; S334-H336 PolarHBondContact OG-N 2.9Å; S334-D337 WeakPolarHBondContact CB-OD2 3.3Å; S334-D337 PolarHBondContact N-OD2 3.43Å; S334-D337 PolarHBondContact O-N 3.42Å; S334-D337 PolarHBondContact OG-N 3.48Å; S334-D337 PolarHBondContact OG-OD2 3.05Å; S334-M338 WeakPolarHBondContact O-CG 3.4Å; S334-M338 PolarHBondContact O-N 2.71Å; S334-M338 VanDerWaalsContact O-N 3.1Å
335H94.3Very high94.9Very high30 Ų3072.9 Ų72.914%0.13936%0.356CS..Hα-helixtrans-59.5-36.1172.1-76.8-67.2000112.7D337 M338 E339 V620 N623 S624 T628H335-D337 VanDerWaalsContact C-N 3.32Å; H335-D337 PolarHBondContact O-N 3.33Å; H335-M338 WeakPolarHBondContact O-CB 3.48Å; H335-M338 PolarHBondContact O-N 3.34Å; H335-M338 VanDerWaalsContact O-N 3.1Å; H335-E339 WeakPolarHBondContact O-CG 3.4Å; H335-E339 PolarHBondContact O-N 3.19Å; H335-V620 HydrophobicContact CB-CG2 4.25Å; H335-N623 PolarHBondContact CD2-O 2.94Å; H335-S624 PolarHBondContact NE2-O 3.16Å; H335-T628 PolarHBondContact CE1-OG1 3.43Å; H335-T628 PolarHBondContact NE2-OG1 3.32Å
336H93.3Very high94.9Very high102 Ų10272.8 Ų72.847%0.47236%0.356SS..Hα-helixtrans-64.3-37.1176.3-175.172.4000112.5S334 M338 K340S334-H336 VanDerWaalsContact C-N 3.25Å; S334-H336 PolarHBondContact O-N 3.48Å; S334-H336 PolarHBondContact OG-N 2.9Å; H336-M338 VanDerWaalsContact C-N 3.31Å; H336-K340 WeakPolarHBondContact CE1-CE 3.32Å; H336-K340 PolarHBondContact CE1-NZ 2.94Å; H336-K340 VanDerWaalsContact CE1-NZ 3.3Å; H336-K340 WeakPolarHBondContact NE2-CE 3.44Å; H336-K340 PolarHBondContact NE2-NZ 3.25Å; H336-K340 WeakPolarHBondContact O-CB 3.38Å; H336-K340 WeakPolarHBondContact O-CG 3.17Å; H336-K340 PolarHBondContact O-N 2.91Å; H336-K340 VanDerWaalsContact O-N 3.13Å
337D95.2Very high94.8Very high30 Ų3078 Ų7816%0.1637%0.372CS..Hα-helixtrans-66.3-37.3173.1-61.5-58.8000111R333 S334 H335 K340 D341 N342R333-D337 HydrophobicContact CB-CB 4.3Å; S334-D337 WeakPolarHBondContact CB-OD2 3.3Å; S334-D337 PolarHBondContact N-OD2 3.43Å; S334-D337 PolarHBondContact O-N 3.42Å; S334-D337 PolarHBondContact OG-N 3.48Å; S334-D337 PolarHBondContact OG-OD2 3.05Å; H335-D337 VanDerWaalsContact C-N 3.32Å; H335-D337 PolarHBondContact O-N 3.33Å; D337-K340 CarbonylContact O-C 3.53Å; D337-K340 PolarHBondContact O-N 3.25Å; D337-D341 CarbonylContact O-C 3.55Å; D337-D341 PolarHBondContact O-N 3.34Å; D337-D341 VanDerWaalsContact O-N 3.07Å; D337-N342 HydrophobicContact CB-CB 4.28Å; D337-N342 PolarHBondContact O-N 3.1Å; D337-N342 PolarHBondContact OD1-ND2 3.41Å
338M92.6Very high94.9Very high44 Ų4486 Ų8622%0.21740%0.399CS..Hα-helixtrans-65.8-45177.5-64.8171.756.100112.1S334 H335 H336 K340 D341 C343 M346 P625S334-M338 WeakPolarHBondContact O-CG 3.4Å; S334-M338 PolarHBondContact O-N 2.71Å; S334-M338 VanDerWaalsContact O-N 3.1Å; H335-M338 WeakPolarHBondContact O-CB 3.48Å; H335-M338 PolarHBondContact O-N 3.34Å; H335-M338 VanDerWaalsContact O-N 3.1Å; H336-M338 VanDerWaalsContact C-N 3.31Å; M338-K340 VanDerWaalsContact C-N 3.28Å; M338-K340 PolarHBondContact O-N 3.27Å; M338-D341 PolarHBondContact O-N 3.17Å; M338-D341 VanDerWaalsContact O-N 3.1Å; M338-C343 VanDerWaalsContact CA-SG 3.59Å; M338-C343 PolarHBondContact N-SG 3.13Å; M338-C343 VanDerWaalsContact N-SG 3.44Å; M338-M346 HydrophobicContact CB-CE 4.46Å; M338-M346 HydrophobicContact CE-CE 4.39Å; M338-M346 HydrophobicContact CE-SD 3.88Å; M338-M346 HydrophobicContact CG-CE 4.04Å; M338-M346 HydrophobicContact CG-SD 3.61Å; M338-M346 HydrophobicContact SD-SD 3.94Å; M338-P625 HydrophobicContact SD-CB 3.78Å; M338-P625 HydrophobicContact SD-CG 3.55Å; M338-P625 VanDerWaalsContact SD-CG 3.55Å
339E89.6Confident95Very high127 Ų12781.7 Ų81.759%0.59338%0.376SS*.Hα-helixtrans-61.1-37.3176.6-73.5173.9-17000112H335 D341H335-E339 WeakPolarHBondContact O-CG 3.4Å; H335-E339 PolarHBondContact O-N 3.19Å; E339-D341 VanDerWaalsContact C-N 3.29Å; E339-D341 PolarHBondContact O-N 2.77Å
340K93Very high95.1Very high140 Ų14074.6 Ų74.661%0.60935%0.346SS*.THydrogen-bonded Turntrans-85.12.3176.8-68.6-177.2174.3-176.80114.3H336 D337 M338 N342H336-K340 WeakPolarHBondContact CE1-CE 3.32Å; H336-K340 PolarHBondContact CE1-NZ 2.94Å; H336-K340 VanDerWaalsContact CE1-NZ 3.3Å; H336-K340 WeakPolarHBondContact NE2-CE 3.44Å; H336-K340 PolarHBondContact NE2-NZ 3.25Å; H336-K340 WeakPolarHBondContact O-CB 3.38Å; H336-K340 WeakPolarHBondContact O-CG 3.17Å; H336-K340 PolarHBondContact O-N 2.91Å; H336-K340 VanDerWaalsContact O-N 3.13Å; D337-K340 CarbonylContact O-C 3.53Å; D337-K340 PolarHBondContact O-N 3.25Å; M338-K340 VanDerWaalsContact C-N 3.28Å; M338-K340 PolarHBondContact O-N 3.27Å; K340-N342 HydrophobicContact CB-CB 4.48Å; K340-N342 PolarHBondContact O-N 3.07Å
341D90.4Very high95.2Very high78 Ų7878.7 Ų78.742%0.41736%0.36SS..THydrogen-bonded Turntrans53.328.9-172.8-159.123.8000113.9D337 M338 E339 C343 R347D337-D341 CarbonylContact O-C 3.55Å; D337-D341 PolarHBondContact O-N 3.34Å; D337-D341 VanDerWaalsContact O-N 3.07Å; M338-D341 PolarHBondContact O-N 3.17Å; M338-D341 VanDerWaalsContact O-N 3.1Å; E339-D341 VanDerWaalsContact C-N 3.29Å; E339-D341 PolarHBondContact O-N 2.77Å; D341-C343 PolarHBondContact O-N 3.42Å; D341-C343 VanDerWaalsContact O-N 3.17Å; D341-R347 VanDerWaalsContact CG-CZ 3.48Å; D341-R347 IonicContact OD1-CZ 3.7Å; D341-R347 IonicContact OD1-NE 2.64Å; D341-R347 IonicContact OD1-NH1 3.01Å; D341-R347 PolarHBondContact OD1-NH1 2.92Å; D341-R347 VanDerWaalsContact OD1-NH1 3.1Å; D341-R347 IonicContact OD1-NH2 3.38Å; D341-R347 PolarHBondContact OD1-NH2 3Å; D341-R347 IonicContact OD2-CZ 3.49Å; D341-R347 IonicContact OD2-NH1 2.73Å; D341-R347 PolarHBondContact OD2-NH1 3.14Å; D341-R347 IonicContact OD2-NH2 3.18Å; D341-R347 PolarHBondContact OD2-NH2 3.49Å
342N93.8Very high95.4Very high115 Ų11573.4 Ų73.462%0.61533%0.333SS*.  trans-86.536.4177-169.736000112D337 K340D337-N342 HydrophobicContact CB-CB 4.28Å; D337-N342 PolarHBondContact O-N 3.1Å; D337-N342 PolarHBondContact OD1-ND2 3.41Å; K340-N342 HydrophobicContact CB-CB 4.48Å; K340-N342 PolarHBondContact O-N 3.07Å
343C94.1Very high95.5Very high13 Ų1373 Ų739%0.08833%0.33CS..  trans-115.377.6-174-680000110.8M338 D341 Y345 M346M338-C343 VanDerWaalsContact CA-SG 3.59Å; M338-C343 PolarHBondContact N-SG 3.13Å; M338-C343 VanDerWaalsContact N-SG 3.44Å; D341-C343 PolarHBondContact O-N 3.42Å; D341-C343 VanDerWaalsContact O-N 3.17Å; C343-Y345 PolarHBondContact O-N 2.91Å; C343-M346 HydrophobicContact CB-CB 3.67Å; C343-M346 HydrophobicContact CB-CE 3.94Å; C343-M346 HydrophobicContact CB-SD 4.16Å; C343-M346 PolarHBondContact O-N 2.9Å
344K95Very high95.6Very high156 Ų15675.4 Ų75.468%0.67834%0.342SS*.THydrogen-bonded Turntrans-48.5-38-173-176.9178.9173-165.80114.4
345Y97.5Very high95.8Very high36 Ų3674.7 Ų74.714%0.14134%0.342CS..THydrogen-bonded Turntrans-106.9-24.9-171.6-53.3-64.7000114.5M322 D325 C343 R347 R348 A349M322-Y345 HydrophobicContact CE-CD1 3.52Å; M322-Y345 HydrophobicContact CE-CE1 3.33Å; M322-Y345 HydrophobicContact CE-CG 4.41Å; M322-Y345 VanDerWaalsContact O-CB 3.29Å; M322-Y345 WeakPolarHBondContact O-CB 3.33Å; M322-Y345 HydrophobicContact SD-CE1 4.38Å; D325-Y345 HydrophobicContact CB-CE2 4.06Å; D325-Y345 WeakPolarHBondContact CB-OH 3.33Å; D325-Y345 PolarHBondContact OD2-OH 2.96Å; C343-Y345 PolarHBondContact O-N 2.91Å; Y345-R347 PolarHBondContact O-N 2.8Å; Y345-R348 PolarHBondContact O-N 3.19Å; Y345-R348 VanDerWaalsContact O-N 3.08Å; Y345-A349 PolarHBondContact O-N 2.86Å
346M97Very high96Very high19 Ų1973.4 Ų73.49%0.09434%0.336CS..Hα-helixtrans-52.6-53.5-168.2-178.6-178.57400113.5M338 C343 R348 A349 M350 E381M338-M346 HydrophobicContact CB-CE 4.46Å; M338-M346 HydrophobicContact CE-CE 4.39Å; M338-M346 HydrophobicContact CE-SD 3.88Å; M338-M346 HydrophobicContact CG-CE 4.04Å; M338-M346 HydrophobicContact CG-SD 3.61Å; M338-M346 HydrophobicContact SD-SD 3.94Å; C343-M346 HydrophobicContact CB-CB 3.67Å; C343-M346 HydrophobicContact CB-CE 3.94Å; C343-M346 HydrophobicContact CB-SD 4.16Å; C343-M346 PolarHBondContact O-N 2.9Å; M346-R348 VanDerWaalsContact C-N 3.29Å; M346-R348 PolarHBondContact O-N 3.42Å; M346-A349 PolarHBondContact O-N 2.7Å; M346-M350 HydrophobicContact CG-CG 4.34Å; M346-M350 HydrophobicContact CG-SD 3.79Å; M346-M350 WeakPolarHBondContact O-CB 3.1Å; M346-M350 WeakPolarHBondContact O-CG 3.36Å; M346-M350 PolarHBondContact O-N 3.37Å; M346-M350 HydrophobicContact SD-SD 4.45Å; M346-E381 HydrophobicContact CG-CG 4.06Å
347R96.7Very high96.2Very high161 Ų16168.6 Ų68.661%0.60831%0.314SS*.Hα-helixtrans-59.6-38.4-178.4-70.5-176.1178.5140-2.4112.7D341 Y345 K351D341-R347 VanDerWaalsContact CG-CZ 3.48Å; D341-R347 IonicContact OD1-CZ 3.7Å; D341-R347 IonicContact OD1-NE 2.64Å; D341-R347 IonicContact OD1-NH1 3.01Å; D341-R347 PolarHBondContact OD1-NH1 2.92Å; D341-R347 VanDerWaalsContact OD1-NH1 3.1Å; D341-R347 IonicContact OD1-NH2 3.38Å; D341-R347 PolarHBondContact OD1-NH2 3Å; D341-R347 IonicContact OD2-CZ 3.49Å; D341-R347 IonicContact OD2-NH1 2.73Å; D341-R347 PolarHBondContact OD2-NH1 3.14Å; D341-R347 IonicContact OD2-NH2 3.18Å; D341-R347 PolarHBondContact OD2-NH2 3.49Å; Y345-R347 PolarHBondContact O-N 2.8Å; R347-K351 WeakPolarHBondContact O-CB 3.45Å; R347-K351 PolarHBondContact O-N 3.3Å; R347-K351 VanDerWaalsContact O-N 3.16Å
348R98.1Very high96.4Very high207 Ų20769.9 Ų69.978%0.78132%0.321SS*.Hα-helixtrans-72.2-39.2179-67.5-177.3-178.4-178.11.5111.1Y345 M346 H352Y345-R348 PolarHBondContact O-N 3.19Å; Y345-R348 VanDerWaalsContact O-N 3.08Å; M346-R348 VanDerWaalsContact C-N 3.29Å; M346-R348 PolarHBondContact O-N 3.42Å; R348-H352 PolarHBondContact O-N 3.22Å; R348-H352 VanDerWaalsContact O-N 3.13Å
349A98.6Very high96.6Very high1 Ų170.2 Ų70.21%0.00832%0.32CS..Hα-helixtrans-65.5-49.3175.800000112.3M322 V323 Y345 M346 K351 H352 Y353 E381M322-A349 WeakPolarHBondContact O-CB 3.49Å; V323-A349 HydrophobicContact CG2-CB 4.3Å; Y345-A349 PolarHBondContact O-N 2.86Å; M346-A349 PolarHBondContact O-N 2.7Å; A349-K351 VanDerWaalsContact C-N 3.33Å; A349-K351 PolarHBondContact O-N 3.15Å; A349-H352 PolarHBondContact O-N 3.21Å; A349-H352 VanDerWaalsContact O-N 3.08Å; A349-Y353 HydrophobicContact CB-CD2 4.39Å; A349-Y353 HydrophobicContact CB-CE2 4.17Å; A349-Y353 WeakPolarHBondContact O-CD2 3.42Å; A349-Y353 PolarHBondContact O-N 2.98Å; A349-E381 HydrophobicContact CB-CB 3.92Å; A349-E381 HydrophobicContact CB-CG 3.81Å
350M98.2Very high97Very high31 Ų3164.1 Ų64.115%0.15329%0.291CS..Hα-helixtrans-53.2-49.8175-73.4175.560.500111.5M346 H352 Y353 E354 E381 Y384M346-M350 HydrophobicContact CG-CG 4.34Å; M346-M350 HydrophobicContact CG-SD 3.79Å; M346-M350 WeakPolarHBondContact O-CB 3.1Å; M346-M350 WeakPolarHBondContact O-CG 3.36Å; M346-M350 PolarHBondContact O-N 3.37Å; M346-M350 HydrophobicContact SD-SD 4.45Å; M350-H352 VanDerWaalsContact C-N 3.28Å; M350-H352 PolarHBondContact O-N 3.28Å; M350-Y353 PolarHBondContact O-N 3.18Å; M350-E354 WeakPolarHBondContact O-CB 3.28Å; M350-E354 PolarHBondContact O-N 3.28Å; M350-E381 HydrophobicContact CG-CB 4.07Å; M350-E381 HydrophobicContact CG-CG 3.77Å; M350-Y384 HydrophobicContact CB-CE2 4.03Å; M350-Y384 HydrophobicContact CE-CE2 3.93Å; M350-Y384 WeakPolarHBondContact CE-OH 3.24Å; M350-Y384 HydrophobicContact CG-CE2 4.25Å
351K98.6Very high97.3Very high162 Ų16257.5 Ų57.570%0.70426%0.262SS*.Hα-helixtrans-58.8-39.1178.3-177.1176.7-179.7177.50112.6R347 A349 G355R347-K351 WeakPolarHBondContact O-CB 3.45Å; R347-K351 PolarHBondContact O-N 3.3Å; R347-K351 VanDerWaalsContact O-N 3.16Å; A349-K351 VanDerWaalsContact C-N 3.33Å; A349-K351 PolarHBondContact O-N 3.15Å; K351-G355 PolarHBondContact O-N 3.16Å; K351-G355 VanDerWaalsContact O-N 3.08Å
352H98.7Very high97.5Very high23 Ų2358.2 Ų58.211%0.10626%0.263CS..Hα-helixtrans-68.1-50.8178.2176.868.6000111.5D192 G287 S291 G321 R348 A349 M350 E354 G355 L356D192-H352 IonicContact OD1-CE1 2.72Å; D192-H352 IonicContact OD2-CE1 2.86Å; D192-H352 PolarHBondContact OD2-CE1 2.8Å; D192-H352 IonicContact OD2-ND1 3.78Å; D192-H352 PolarHBondContact OD2-ND1 3.1Å; G287-H352 WeakPolarHBondContact CA-NE2 3.36Å; G287-H352 PolarHBondContact O-NE2 3.49Å; S291-H352 PolarHBondContact OG-CE1 2.8Å; S291-H352 VanDerWaalsContact OG-CE1 3.27Å; S291-H352 PolarHBondContact OG-NE2 2.82Å; G321-H352 PolarHBondContact N-CD2 3.37Å; R348-H352 PolarHBondContact O-N 3.22Å; R348-H352 VanDerWaalsContact O-N 3.13Å; A349-H352 PolarHBondContact O-N 3.21Å; A349-H352 VanDerWaalsContact O-N 3.08Å; M350-H352 VanDerWaalsContact C-N 3.28Å; M350-H352 PolarHBondContact O-N 3.28Å; H352-E354 PolarHBondContact O-N 2.95Å; H352-G355 WeakPolarHBondContact O-CA 3.39Å; H352-G355 PolarHBondContact O-N 2.74Å; H352-G355 VanDerWaalsContact O-N 3.1Å; H352-L356 WeakPolarHBondContact NE2-CD1 3.43Å; H352-L356 PolarHBondContact O-N 3.25Å
353Y98.8Very high97.6Very high1 Ų153.6 Ų53.60%0.00424%0.239CC..Hα-helixtrans-68.4-34-178.9-65.4-55.4000113.1L290 C316 G321 V323 A349 M350 G355 L356 A357 E381 L382 L385L290-Y353 HydrophobicContact CD1-CD1 4.03Å; L290-Y353 HydrophobicContact CD1-CE1 3.79Å; C316-Y353 WeakPolarHBondContact CB-OH 3.39Å; G321-Y353 VanDerWaalsContact O-CE2 3.24Å; G321-Y353 WeakPolarHBondContact O-CE2 3.2Å; G321-Y353 PolarHBondContact O-OH 3.27Å; V323-Y353 HydrophobicContact CG2-CE2 4.5Å; A349-Y353 HydrophobicContact CB-CD2 4.39Å; A349-Y353 HydrophobicContact CB-CE2 4.17Å; A349-Y353 WeakPolarHBondContact O-CD2 3.42Å; A349-Y353 PolarHBondContact O-N 2.98Å; M350-Y353 PolarHBondContact O-N 3.18Å; Y353-G355 VanDerWaalsContact C-N 3.34Å; Y353-L356 HydrophobicContact CD1-CD1 4.31Å; Y353-L356 PolarHBondContact O-N 3.33Å; Y353-A357 VanDerWaalsContact O-CB 3.31Å; Y353-A357 WeakPolarHBondContact O-CB 3.36Å; Y353-A357 PolarHBondContact O-N 3.43Å; Y353-E381 WeakPolarHBondContact CB-O 3.34Å; Y353-E381 HydrophobicContact CD2-CB 3.95Å; Y353-E381 HydrophobicContact CE2-CB 4.21Å; Y353-L382 HydrophobicContact CD1-CD2 3.55Å; Y353-L382 HydrophobicContact CD2-CD2 3.93Å; Y353-L382 HydrophobicContact CD2-CG 4.23Å; Y353-L382 HydrophobicContact CE1-CD2 3.32Å; Y353-L382 HydrophobicContact CE1-CG 4.48Å; Y353-L382 HydrophobicContact CE2-CD2 3.72Å; Y353-L382 HydrophobicContact CE2-CG 4.05Å; Y353-L382 HydrophobicContact CG-CD2 3.85Å; Y353-L382 VanDerWaalsContact CZ-CD2 3.41Å; Y353-L385 HydrophobicContact CD1-CD1 4.03Å; Y353-L385 HydrophobicContact CG-CD1 4.49Å
354E98.6Very high97.7Very high64 Ų6454 Ų5430%0.29924%0.24SC..Hα-helixtrans-61-43.1168.4-174.4-178.3-157.400111.2M350 H352 L356 A357 N358 Y384 Y388M350-E354 WeakPolarHBondContact O-CB 3.28Å; M350-E354 PolarHBondContact O-N 3.28Å; H352-E354 PolarHBondContact O-N 2.95Å; E354-L356 VanDerWaalsContact C-N 3.34Å; E354-L356 PolarHBondContact O-N 2.91Å; E354-A357 WeakPolarHBondContact O-CB 3.41Å; E354-A357 PolarHBondContact O-N 3.18Å; E354-N358 WeakPolarHBondContact O-CB 3.43Å; E354-N358 PolarHBondContact O-N 2.86Å; E354-N358 PolarHBondContact O-ND2 3.03Å; E354-N358 VanDerWaalsContact O-ND2 3.13Å; E354-Y384 HydrophobicContact CB-CD1 4.16Å; E354-Y384 HydrophobicContact CB-CD2 3.89Å; E354-Y384 HydrophobicContact CB-CE2 4.29Å; E354-Y384 HydrophobicContact CB-CG 3.82Å; E354-Y384 HydrophobicContact CG-CD1 3.98Å; E354-Y384 HydrophobicContact CG-CE1 4.26Å; E354-Y384 HydrophobicContact CG-CG 4.14Å; E354-Y388 HydrophobicContact CG-CE2 4.08Å; E354-Y388 PolarHBondContact OE1-OH 2.86Å
355G98.6Very high97.8Very high29 Ų2946.7 Ų46.730%0.29921%0.208SC..Hα-helixtrans-59.3-41.6173.600000113.4K351 H352 Y353 R359K351-G355 PolarHBondContact O-N 3.16Å; K351-G355 VanDerWaalsContact O-N 3.08Å; H352-G355 WeakPolarHBondContact O-CA 3.39Å; H352-G355 PolarHBondContact O-N 2.74Å; H352-G355 VanDerWaalsContact O-N 3.1Å; Y353-G355 VanDerWaalsContact C-N 3.34Å; G355-R359 WeakPolarHBondContact O-CG 3.14Å; G355-R359 PolarHBondContact O-N 3.37Å; G355-R359 VanDerWaalsContact O-N 3.17Å
356L98.7Very high97.8Very high3 Ų345 Ų452%0.01620%0.201CC..Hα-helixtrans-68.5-41.2174.6-67.8-175.9000112.4L290 H352 Y353 E354 N358 R359 A360 L385L290-L356 HydrophobicContact CB-CD1 3.66Å; H352-L356 WeakPolarHBondContact NE2-CD1 3.43Å; H352-L356 PolarHBondContact O-N 3.25Å; Y353-L356 HydrophobicContact CD1-CD1 4.31Å; Y353-L356 PolarHBondContact O-N 3.33Å; E354-L356 VanDerWaalsContact C-N 3.34Å; E354-L356 PolarHBondContact O-N 2.91Å; L356-N358 VanDerWaalsContact C-N 3.32Å; L356-N358 PolarHBondContact O-N 2.84Å; L356-R359 PolarHBondContact O-N 3.48Å; L356-A360 WeakPolarHBondContact O-CB 3.26Å; L356-A360 PolarHBondContact O-N 3.21Å; L356-L385 HydrophobicContact CB-CD2 3.9Å
357A98.6Very high97.9Very high0 Ų044 Ų440%020%0.197CC..Hα-helixtrans-60.3-42.8175.700000111.4Y353 E354 R359 A360 A361 Y384 L385 Y388Y353-A357 VanDerWaalsContact O-CB 3.31Å; Y353-A357 WeakPolarHBondContact O-CB 3.36Å; Y353-A357 PolarHBondContact O-N 3.43Å; E354-A357 WeakPolarHBondContact O-CB 3.41Å; E354-A357 PolarHBondContact O-N 3.18Å; A357-R359 PolarHBondContact O-N 2.88Å; A357-A360 PolarHBondContact O-N 2.81Å; A357-A361 VanDerWaalsContact O-CB 3.23Å; A357-A361 WeakPolarHBondContact O-CB 3.36Å; A357-A361 PolarHBondContact O-N 2.97Å; A357-Y384 VanDerWaalsContact CB-C 3.46Å; A357-Y384 VanDerWaalsContact CB-O 3.29Å; A357-Y384 WeakPolarHBondContact CB-O 3.28Å; A357-L385 HydrophobicContact CB-CD2 4.21Å; A357-Y388 HydrophobicContact CB-CD2 3.8Å; A357-Y388 HydrophobicContact CB-CG 4.21Å
358N98.2Very high98Very high57 Ų5736.4 Ų36.431%0.30517%0.168SC..Hα-helixtrans-58.8-46.4173.9-73.4-33.7000111.9E354 L356 A361 Q362 Y388 F446E354-N358 WeakPolarHBondContact O-CB 3.43Å; E354-N358 PolarHBondContact O-N 2.86Å; E354-N358 PolarHBondContact O-ND2 3.03Å; E354-N358 VanDerWaalsContact O-ND2 3.13Å; L356-N358 VanDerWaalsContact C-N 3.32Å; L356-N358 PolarHBondContact O-N 2.84Å; N358-A361 PolarHBondContact O-N 3.36Å; N358-Q362 WeakPolarHBondContact O-CB 3.44Å; N358-Q362 PolarHBondContact O-N 3.42Å; N358-Y388 VanDerWaalsContact OD1-CE2 3.3Å; N358-Y388 WeakPolarHBondContact OD1-CE2 3.47Å; N358-F446 WeakPolarHBondContact OD1-CE2 3.3Å
359R97.8Very high98Very high51 Ų5126.5 Ų26.519%0.19213%0.131CC..Hα-helixtrans-64.3-45.8178.1-73.1171.460.4-157.5-6.2112.1Y193 G195 V294 E298 G355 L356 A357 N363Y193-R359 PolarHBondContact O-NH1 2.92Å; G195-R359 VanDerWaalsContact N-NH2 3.16Å; V294-R359 HydrophobicContact CG1-CB 3.81Å; E298-R359 IonicContact OE2-CZ 3.9Å; E298-R359 IonicContact OE2-NE 2.76Å; E298-R359 PolarHBondContact OE2-NE 2.73Å; E298-R359 VanDerWaalsContact OE2-NE 3.12Å; E298-R359 IonicContact OE2-NH2 2.76Å; E298-R359 PolarHBondContact OE2-NH2 3.11Å; G355-R359 WeakPolarHBondContact O-CG 3.14Å; G355-R359 PolarHBondContact O-N 3.37Å; G355-R359 VanDerWaalsContact O-N 3.17Å; L356-R359 PolarHBondContact O-N 3.48Å; A357-R359 PolarHBondContact O-N 2.88Å; R359-N363 PolarHBondContact O-N 2.9Å; R359-N363 PolarHBondContact O-ND2 3.31Å
360A98.3Very high98Very high0 Ų026.5 Ų26.50%013%0.13CC..Hα-helixtrans-60.6-47.6176.200000110.7V294 L356 A357 N363 L364 H365 V367 T389V294-A360 HydrophobicContact CG1-CB 4.29Å; V294-A360 HydrophobicContact CG2-CB 4.2Å; L356-A360 WeakPolarHBondContact O-CB 3.26Å; L356-A360 PolarHBondContact O-N 3.21Å; A357-A360 PolarHBondContact O-N 2.81Å; A360-N363 CarbonylContact O-C 3.58Å; A360-N363 PolarHBondContact O-N 3.41Å; A360-N363 VanDerWaalsContact O-N 3.1Å; A360-L364 PolarHBondContact O-N 3.34Å; A360-L364 VanDerWaalsContact O-N 3.14Å; A360-H365 HydrophobicContact CB-CB 4.27Å; A360-H365 PolarHBondContact O-N 3.45Å; A360-V367 HydrophobicContact CB-CG2 4.03Å; A360-T389 HydrophobicContact CB-CG2 3.94Å
361A97.9Very high98Very high0 Ų025.1 Ų25.10%012%0.124CC..Hα-helixtrans-71-34.1-177.700000115.3A357 N358 N363 L364 T389 F446 R469 N471A357-A361 VanDerWaalsContact O-CB 3.23Å; A357-A361 WeakPolarHBondContact O-CB 3.36Å; A357-A361 PolarHBondContact O-N 2.97Å; N358-A361 PolarHBondContact O-N 3.36Å; A361-N363 PolarHBondContact O-N 2.89Å; A361-L364 PolarHBondContact O-N 3.33Å; A361-T389 HydrophobicContact CB-CG2 4.27Å; A361-F446 HydrophobicContact CB-CB 3.76Å; A361-F446 HydrophobicContact CB-CD1 3.7Å; A361-F446 HydrophobicContact CB-CD2 4.04Å; A361-F446 HydrophobicContact CB-CE1 4.29Å; A361-F446 HydrophobicContact CB-CG 3.55Å; A361-R469 WeakPolarHBondContact O-CD 3.49Å; A361-N471 WeakPolarHBondContact CA-ND2 3.49Å; A361-N471 VanDerWaalsContact CB-ND2 3.28Å; A361-N471 WeakPolarHBondContact CB-ND2 3.29Å
362Q96Very high98Very high93 Ų9317.8 Ų17.844%0.4359%0.093SC..Hα-helixtrans-60.7-29.2170.7-176.259.934.500112.1N358 R469N358-Q362 WeakPolarHBondContact O-CB 3.44Å; N358-Q362 PolarHBondContact O-N 3.42Å; Q362-R469 VanDerWaalsContact NE2-NH2 3.18Å; Q362-R469 VanDerWaalsContact OE1-CZ 3.26Å
363N95Very high97.8Very high19 Ų1918 Ų1810%0.10210%0.097CC..THydrogen-bonded Turntrans-98.77.1179.9-73.5-74.4000114.2P302 N303 R359 A360 A361 H365P302-N363 WeakPolarHBondContact CB-OD1 3.36Å; N303-N363 VanDerWaalsContact CA-O 3.25Å; N303-N363 WeakPolarHBondContact CA-O 3.48Å; N303-N363 PolarHBondContact N-O 3.13Å; R359-N363 PolarHBondContact O-N 2.9Å; R359-N363 PolarHBondContact O-ND2 3.31Å; A360-N363 CarbonylContact O-C 3.58Å; A360-N363 PolarHBondContact O-N 3.41Å; A360-N363 VanDerWaalsContact O-N 3.1Å; A361-N363 PolarHBondContact O-N 2.89Å; N363-H365 VanDerWaalsContact C-N 3.28Å; N363-H365 VanDerWaalsContact CB-CD2 3.46Å; N363-H365 WeakPolarHBondContact CB-CD2 3.24Å; N363-H365 PolarHBondContact O-N 3.18Å
364L96Very high97.5Very high21 Ų2125.7 Ų25.711%0.1114%0.137CC..THydrogen-bonded Turntrans64.327.2-179.7-58178.3000114.9N303 A360 A361 A425 R469N303-L364 HydrophobicContact CB-CD1 4.19Å; A360-L364 PolarHBondContact O-N 3.34Å; A360-L364 VanDerWaalsContact O-N 3.14Å; A361-L364 PolarHBondContact O-N 3.33Å; L364-A425 HydrophobicContact CB-CB 3.82Å; L364-A425 HydrophobicContact CD1-CB 3.99Å; L364-A425 HydrophobicContact CG-CB 4.49Å; L364-R469 HydrophobicContact CD2-CB 4Å; L364-R469 HydrophobicContact CD2-CG 4Å
365H97.6Very high97.3Very high2 Ų226.7 Ų26.71%0.00915%0.145CC..EExtended strand (participates in β ladder)trans-92.7147.6177.2-61.5-36.9000111.9L297 Y301 T304 A306 A360 N363 T389 N471L297-H365 WeakPolarHBondContact CB-NE2 3.39Å; L297-H365 HydrophobicContact CD1-CB 4.46Å; L297-H365 PolarHBondContact O-NE2 3.27Å; Y301-H365 PolarHBondContact O-CE1 3.47Å; Y301-H365 PolarHBondContact O-NE2 3.44Å; T304-H365 PolarHBondContact O-CE1 3.47Å; T304-H365 PolarHBondContact O-ND1 2.79Å; A306-H365 WeakPolarHBondContact CB-ND1 3.18Å; A360-H365 HydrophobicContact CB-CB 4.27Å; A360-H365 PolarHBondContact O-N 3.45Å; N363-H365 VanDerWaalsContact C-N 3.28Å; N363-H365 VanDerWaalsContact CB-CD2 3.46Å; N363-H365 WeakPolarHBondContact CB-CD2 3.24Å; N363-H365 PolarHBondContact O-N 3.18Å; H365-T389 VanDerWaalsContact O-CB 3.3Å; H365-T389 WeakPolarHBondContact O-CB 3.29Å; H365-T389 WeakPolarHBondContact O-CG2 3.33Å; H365-N471 VanDerWaalsContact O-CB 3.32Å; H365-N471 WeakPolarHBondContact O-CB 3.3Å; H365-N471 PolarHBondContact O-ND2 2.99Å
366V98.5Very high97.2Very high0 Ų026.6 Ų26.60%014%0.136CC..EExtended strand (participates in β ladder)trans-100.4140.8176.6-171.30000109.5A306 R307 V308 L424 N471 G472A306-V366 PolarHBondContact O-N 3.36Å; R307-V366 CarbonylContact C-O 3.58Å; R307-V366 WeakPolarHBondContact CA-O 3.23Å; R307-V366 HydrophobicContact CB-CB 4.26Å; R307-V366 HydrophobicContact CG-CB 3.98Å; R307-V366 HydrophobicContact CG-CG2 4.24Å; V308-V366 PolarHBondContact N-O 3.38Å; V366-L424 HydrophobicContact CG2-CD2 4.11Å; V366-N471 VanDerWaalsContact CG2-C 3.44Å; V366-N471 HydrophobicContact CG2-CB 4.09Å; V366-N471 VanDerWaalsContact CG2-O 3.32Å; V366-N471 WeakPolarHBondContact CG2-O 3.18Å; V366-G472 VanDerWaalsContact CG2-CA 3.46Å
367V98.8Very high97.2Very high0 Ų026.6 Ų26.60%014%0.136CC..EExtended strand (participates in β ladder)trans-123.8107.8169.7-174.90000108.5L290 V308 A360 L385 T386 T389 G391L290-V367 HydrophobicContact CD2-CG1 4.01Å; V308-V367 HydrophobicContact CB-CG1 4.39Å; V308-V367 HydrophobicContact CB-CG2 4.27Å; V308-V367 CarbonylContact O-C 3.57Å; V308-V367 WeakPolarHBondContact O-CA 3.31Å; A360-V367 HydrophobicContact CB-CG2 4.03Å; V367-L385 HydrophobicContact CB-CB 4.02Å; V367-L385 HydrophobicContact CG1-CB 3.87Å; V367-L385 HydrophobicContact CG1-CD1 4.31Å; V367-L385 HydrophobicContact CG1-CD2 4.31Å; V367-L385 HydrophobicContact CG1-CG 4.4Å; V367-L385 HydrophobicContact CG2-CD2 4.42Å; V367-T386 WeakPolarHBondContact O-CG2 3.14Å; V367-T389 HydrophobicContact CG2-CG2 4.43Å; V367-T389 PolarHBondContact N-OG1 2.93Å; V367-G391 WeakPolarHBondContact O-CA 3.28Å
368D98.7Very high97.1Very high0 Ų026.6 Ų26.60%014%0.136CC..EExtended strand (participates in β ladder)trans-90143.8172.1-56.3-61.2000109.4R307 V308 L310 F370 G391 H392R307-D368 IonicContact CZ-OD1 3.7Å; R307-D368 IonicContact CZ-OD2 3.71Å; R307-D368 IonicContact NE-OD1 2.74Å; R307-D368 IonicContact NE-OD2 3.56Å; R307-D368 PolarHBondContact NE-OD2 3.43Å; R307-D368 IonicContact NH2-OD1 3.8Å; R307-D368 PolarHBondContact NH2-OD1 3.26Å; R307-D368 IonicContact NH2-OD2 3.87Å; R307-D368 PolarHBondContact NH2-OD2 3.12Å; V308-D368 PolarHBondContact O-N 3.48Å; L310-D368 WeakPolarHBondContact CB-O 3.35Å; L310-D368 PolarHBondContact N-O 2.85Å; D368-F370 HydrophobicContact CB-CD2 4.45Å; D368-F370 HydrophobicContact CB-CE2 3.64Å; D368-F370 HydrophobicContact CB-CZ 4.11Å; D368-G391 WeakPolarHBondContact OD1-CA 3.28Å; D368-H392 CarbonylContact C-O 3.45Å; D368-H392 WeakPolarHBondContact CA-O 3.48Å; D368-H392 HydrophobicContact CB-CB 4.43Å; D368-H392 IonicContact OD1-CD2 2.78Å; D368-H392 PolarHBondContact OD1-CD2 2.83Å; D368-H392 IonicContact OD1-CG 3.75Å; D368-H392 PolarHBondContact OD1-N 3.27Å
369I98.8Very high97.2Very high0 Ų023.9 Ų23.90%012%0.122CC..EExtended strand (participates in β ladder)trans-126.5119.6177.9-53.7175.8000108.7L310 L379 L382 L385 T386 H392 I394L310-I369 HydrophobicContact CD2-CG1 4.37Å; L310-I369 HydrophobicContact CD2-CG2 4.32Å; I369-L379 HydrophobicContact CB-CD2 4.44Å; I369-L379 HydrophobicContact CG2-CD2 3.61Å; I369-L382 HydrophobicContact CD1-CB 3.69Å; I369-L385 HydrophobicContact CD1-CB 4.25Å; I369-L385 HydrophobicContact CD1-CD1 4.17Å; I369-T386 HydrophobicContact CB-CG2 4.3Å; I369-T386 HydrophobicContact CD1-CG2 3.86Å; I369-T386 HydrophobicContact CG1-CG2 3.81Å; I369-H392 PolarHBondContact N-O 3.32Å; I369-I394 PolarHBondContact O-N 2.75Å
370F98.6Very high97.2Very high0 Ų022.4 Ų22.40%012%0.117CC..EExtended strand (participates in β ladder)trans-112.396.4175-61-80.4000108M309 L310 F311 L312 D368 I394 F404 Y408 V411M309-F370 HydrophobicContact CB-CE2 4.12Å; M309-F370 HydrophobicContact CE-CE2 3.52Å; M309-F370 HydrophobicContact CE-CZ 3.72Å; M309-F370 HydrophobicContact CG-CE2 4.44Å; L310-F370 PolarHBondContact O-N 2.84Å; F311-F370 WeakPolarHBondContact CA-O 3.47Å; F311-F370 HydrophobicContact CD1-CB 3.62Å; F311-F370 HydrophobicContact CD1-CD2 4.13Å; F311-F370 HydrophobicContact CD1-CG 4.07Å; F311-F370 HydrophobicContact CE1-CB 3.94Å; F311-F370 AromaticContact CE1-CD2 3.77Å; F311-F370 HydrophobicContact CE1-CD2 3.77Å; F311-F370 HydrophobicContact CE1-CE2 4.49Å; F311-F370 AromaticContact CE1-CG 3.87Å; F311-F370 HydrophobicContact CE1-CG 3.87Å; F311-F370 HydrophobicContact CG-CB 4.37Å; F311-F370 AromaticContact CZ-CD2 3.98Å; F311-F370 HydrophobicContact CZ-CD2 3.98Å; F311-F370 HydrophobicContact CZ-CE2 4.4Å; L312-F370 PolarHBondContact N-O 3.31Å; D368-F370 HydrophobicContact CB-CD2 4.45Å; D368-F370 HydrophobicContact CB-CE2 3.64Å; D368-F370 HydrophobicContact CB-CZ 4.11Å; F370-I394 HydrophobicContact CD1-CB 3.81Å; F370-I394 HydrophobicContact CD1-CG1 3.64Å; F370-I394 HydrophobicContact CD1-CG2 4.38Å; F370-I394 HydrophobicContact CE1-CB 4.31Å; F370-I394 HydrophobicContact CE1-CG1 3.61Å; F370-F404 HydrophobicContact CB-CE2 3.99Å; F370-F404 HydrophobicContact CB-CZ 4.32Å; F370-F404 HydrophobicContact CD1-CE2 4.04Å; F370-F404 HydrophobicContact CD1-CZ 4.48Å; F370-F404 HydrophobicContact CG-CE2 4.42Å; F370-Y408 AromaticContact CD1-CD2 3.85Å; F370-Y408 HydrophobicContact CD1-CD2 3.85Å; F370-Y408 HydrophobicContact CD1-CE2 4.43Å; F370-Y408 HydrophobicContact CD2-CE2 4.47Å; F370-Y408 AromaticContact CE1-CD2 3.57Å; F370-Y408 HydrophobicContact CE1-CD2 3.57Å; F370-Y408 HydrophobicContact CE1-CE2 4.1Å; F370-Y408 HydrophobicContact CE2-CD2 4.43Å; F370-Y408 HydrophobicContact CE2-CE2 4.15Å; F370-Y408 HydrophobicContact CG-CD2 4.39Å; F370-Y408 AromaticContact CZ-CD2 3.9Å; F370-Y408 HydrophobicContact CZ-CD2 3.9Å; F370-Y408 AromaticContact CZ-CE2 3.95Å; F370-Y408 HydrophobicContact CZ-CE2 3.95Å; F370-V411 HydrophobicContact CE1-CG2 3.99Å; F370-V411 HydrophobicContact CZ-CG2 3.98Å
371S98.1Very high97.2Very high3 Ų322.4 Ų22.42%0.02112%0.117CC..EExtended strand (participates in β ladder)trans-105.7115.5-173.11700000109.9T377 I394 M395 G396S371-T377 WeakPolarHBondContact OG-CB 3.36Å; S371-T377 WeakPolarHBondContact OG-CG2 3.2Å; S371-T377 PolarHBondContact OG-OG1 2.78Å; S371-I394 WeakPolarHBondContact CB-O 3.3Å; S371-I394 PolarHBondContact N-O 3.41Å; S371-M395 CarbonylContact O-C 3.54Å; S371-M395 WeakPolarHBondContact O-CA 3.35Å; S371-G396 PolarHBondContact O-N 3.45Å
372C97.9Very high97.2Very high7 Ų722.5 Ų22.55%0.04712%0.118CC..EExtended strand (participates in β ladder)trans-124.1115171.4-65.50000111.4L312 G313 G396 F399 F404L312-C372 PolarHBondContact O-N 3.19Å; G313-C372 WeakPolarHBondContact CA-O 3.41Å; C372-G396 WeakPolarHBondContact CA-O 3.45Å; C372-F399 HydrophobicContact CB-CD1 3.81Å; C372-F399 HydrophobicContact CB-CD2 3.65Å; C372-F399 HydrophobicContact CB-CE1 3.76Å; C372-F399 HydrophobicContact CB-CE2 3.59Å; C372-F399 HydrophobicContact CB-CG 3.76Å; C372-F399 HydrophobicContact CB-CZ 3.65Å; C372-F399 VanDerWaalsContact SG-CD1 3.59Å; C372-F404 WeakPolarHBondContact SG-CD2 3.2Å
373S95.2Very high97.3Very high28 Ų2818.8 Ų18.820%0.19610%0.1CC..  trans-165.9142.8-179.7169.40000109.5D375 T377 G396S373-D375 VanDerWaalsContact C-N 3.29Å; S373-D375 CarbonylContact C-O 3.6Å; S373-D375 WeakPolarHBondContact CB-O 3.39Å; S373-D375 PolarHBondContact OG-N 3.37Å; S373-D375 PolarHBondContact OG-O 3.49Å; S373-T377 VanDerWaalsContact CB-CG2 3.48Å; S373-G396 PolarHBondContact N-O 2.98Å; S373-G396 VanDerWaalsContact N-O 3.11Å
374L92.6Very high97.5Very high163 Ų16319.3 Ų19.385%0.85310%0.1SC*.SBendtrans-71.6-26.2173.4-67.2173.6000112.7D397L374-D397 HydrophobicContact CD2-CB 3.99Å
375D93Very high97.6Very high85 Ų8518.3 Ų18.346%0.45510%0.095SC..SBendtrans-101.4178.7167.7-169.617.4000109.8I332 S373I332-D375 WeakPolarHBondContact CG2-OD1 3.25Å; S373-D375 VanDerWaalsContact C-N 3.29Å; S373-D375 CarbonylContact C-O 3.6Å; S373-D375 WeakPolarHBondContact CB-O 3.39Å; S373-D375 PolarHBondContact OG-N 3.37Å; S373-D375 PolarHBondContact OG-O 3.49Å
376Q97Very high97.7Very high26 Ų2618.2 Ų18.212%0.12110%0.095CC..  trans-72.7151.6179.2-65.1179.177.800113.2P315 I332 R333 S624 D626P315-Q376 WeakPolarHBondContact CD-O 3.29Å; I332-Q376 HydrophobicContact CD1-CB 3.78Å; I332-Q376 HydrophobicContact CG1-CB 4.39Å; I332-Q376 HydrophobicContact CG2-CB 4.05Å; R333-Q376 PolarHBondContact O-NE2 2.99Å; Q376-S624 VanDerWaalsContact CD-CB 3.45Å; Q376-D626 HydrophobicContact CB-CB 4.4Å; Q376-D626 WeakPolarHBondContact CB-OD2 3.46Å; Q376-D626 HydrophobicContact CG-CB 4.16Å
377T97.8Very high97.6Very high3 Ų319.3 Ų19.32%0.01810%0.101CC..  trans-111.1-5.3-179.471.40000113.4P315 S371 S373 D626P315-T377 VanDerWaalsContact CA-O 3.28Å; P315-T377 WeakPolarHBondContact CA-O 3.26Å; S371-T377 WeakPolarHBondContact OG-CB 3.36Å; S371-T377 WeakPolarHBondContact OG-CG2 3.2Å; S371-T377 PolarHBondContact OG-OG1 2.78Å; S373-T377 VanDerWaalsContact CB-CG2 3.48Å; T377-D626 PolarHBondContact N-OD2 3.05Å
378G98.1Very high97.6Very high0 Ų021.6 Ų21.60%011%0.11CC..SBendtrans91.123.7-173.100000113.6H380 E381 L382 D626G378-H380 PolarHBondContact O-N 3.07Å; G378-E381 WeakPolarHBondContact CA-OE2 3.41Å; G378-E381 PolarHBondContact O-N 2.79Å; G378-L382 WeakPolarHBondContact O-CB 3.23Å; G378-L382 WeakPolarHBondContact O-CD1 3.12Å; G378-L382 VanDerWaalsContact O-CG 3.29Å; G378-L382 WeakPolarHBondContact O-CG 3.16Å; G378-L382 PolarHBondContact O-N 3.4Å; G378-D626 PolarHBondContact N-OD2 3.21Å
379L98.5Very high97.6Very high0 Ų021.6 Ų21.60%011%0.11CC..Hα-helixtrans-54.4-34.4174-72.2-177.8000111.6I369 E381 L382 R383 M393 M395 D626I369-L379 HydrophobicContact CB-CD2 4.44Å; I369-L379 HydrophobicContact CG2-CD2 3.61Å; L379-E381 PolarHBondContact O-N 3.16Å; L379-L382 PolarHBondContact O-N 2.98Å; L379-R383 WeakPolarHBondContact O-CB 3.49Å; L379-R383 PolarHBondContact O-N 3.37Å; L379-M393 HydrophobicContact CB-SD 4.34Å; L379-M393 HydrophobicContact CD1-CG 4.27Å; L379-M393 HydrophobicContact CD1-SD 4.3Å; L379-M393 HydrophobicContact CD2-CG 4.07Å; L379-M393 HydrophobicContact CD2-SD 4.41Å; L379-M395 HydrophobicContact CD1-CB 3.8Å; L379-M395 HydrophobicContact CD1-CG 3.8Å; L379-M395 HydrophobicContact CD1-SD 3.9Å; L379-D626 HydrophobicContact CB-CB 3.87Å; L379-D626 HydrophobicContact CG-CB 4.48Å; L379-D626 PolarHBondContact N-OD1 3.24Å; L379-D626 PolarHBondContact N-OD2 2.9Å
380H98.1Very high97.5Very high21 Ų2121.7 Ų21.710%0.09711%0.11CC..Hα-helixtrans-54.1-52.6173.8-173.877.4000111.5G378 R383 P625 D626G378-H380 PolarHBondContact O-N 3.07Å; H380-R383 PolarHBondContact CD2-NH1 3.12Å; H380-R383 PolarHBondContact CE1-NH1 2.81Å; H380-R383 PolarHBondContact NE2-NH1 2.84Å; H380-R383 VanDerWaalsContact O-CD 3.26Å; H380-R383 WeakPolarHBondContact O-CD 3.23Å; H380-R383 WeakPolarHBondContact O-CG 3.18Å; H380-R383 PolarHBondContact O-NH1 2.79Å; H380-P625 HydrophobicContact CB-CB 3.9Å; H380-D626 PolarHBondContact N-OD1 2.91Å
381E98.4Very high97.5Very high0 Ų021.7 Ų21.70%011%0.11CC..Hα-helixtrans-72.9-33.4180-64.290.3163.200112.9V323 R333 M346 A349 M350 Y353 G378 L379 R383V323-E381 HydrophobicContact CG2-CB 4.3Å; V323-E381 HydrophobicContact CG2-CG 4.37Å; R333-E381 WeakPolarHBondContact CD-OE1 3.29Å; R333-E381 IonicContact CZ-OE1 3.6Å; R333-E381 IonicContact CZ-OE2 3.09Å; R333-E381 IonicContact NE-OE1 2.68Å; R333-E381 PolarHBondContact NE-OE1 2.91Å; R333-E381 IonicContact NE-OE2 3.77Å; R333-E381 PolarHBondContact NE-OE2 2.85Å; R333-E381 IonicContact NH2-OE1 3.77Å; R333-E381 IonicContact NH2-OE2 3.78Å; R333-E381 PolarHBondContact NH2-OE2 3.4Å; M346-E381 HydrophobicContact CG-CG 4.06Å; A349-E381 HydrophobicContact CB-CB 3.92Å; A349-E381 HydrophobicContact CB-CG 3.81Å; M350-E381 HydrophobicContact CG-CB 4.07Å; M350-E381 HydrophobicContact CG-CG 3.77Å; Y353-E381 WeakPolarHBondContact CB-O 3.34Å; Y353-E381 HydrophobicContact CD2-CB 3.95Å; Y353-E381 HydrophobicContact CE2-CB 4.21Å; G378-E381 WeakPolarHBondContact CA-OE2 3.41Å; G378-E381 PolarHBondContact O-N 2.79Å; L379-E381 PolarHBondContact O-N 3.16Å; E381-R383 VanDerWaalsContact C-N 3.32Å; E381-R383 PolarHBondContact O-N 3.28Å
382L98.8Very high97.5Very high1 Ų121.8 Ų21.81%0.00511%0.111CC..Hα-helixtrans-75.1-16.9-179.8-69.8162.5000113.6V286 L290 L312 Y353 I369 G378 L379 Y384 L385V286-L382 HydrophobicContact CG1-CD2 4.22Å; L290-L382 HydrophobicContact CD1-CD2 3.94Å; L312-L382 HydrophobicContact CD2-CD1 3.69Å; Y353-L382 HydrophobicContact CD1-CD2 3.55Å; Y353-L382 HydrophobicContact CD2-CD2 3.93Å; Y353-L382 HydrophobicContact CD2-CG 4.23Å; Y353-L382 HydrophobicContact CE1-CD2 3.32Å; Y353-L382 HydrophobicContact CE1-CG 4.48Å; Y353-L382 HydrophobicContact CE2-CD2 3.72Å; Y353-L382 HydrophobicContact CE2-CG 4.05Å; Y353-L382 HydrophobicContact CG-CD2 3.85Å; Y353-L382 VanDerWaalsContact CZ-CD2 3.41Å; I369-L382 HydrophobicContact CD1-CB 3.69Å; G378-L382 WeakPolarHBondContact O-CB 3.23Å; G378-L382 WeakPolarHBondContact O-CD1 3.12Å; G378-L382 VanDerWaalsContact O-CG 3.29Å; G378-L382 WeakPolarHBondContact O-CG 3.16Å; G378-L382 PolarHBondContact O-N 3.4Å; L379-L382 PolarHBondContact O-N 2.98Å; L382-Y384 PolarHBondContact O-N 3.02Å; L382-L385 HydrophobicContact CB-CD1 4.25Å; L382-L385 HydrophobicContact CD2-CD1 3.58Å; L382-L385 VanDerWaalsContact O-CB 3.27Å; L382-L385 WeakPolarHBondContact O-CB 3.49Å; L382-L385 WeakPolarHBondContact O-CG 3.39Å; L382-L385 PolarHBondContact O-N 3.15Å
383R98.2Very high97.5Very high16 Ų1621.6 Ų21.66%0.0611%0.109CC..Hα-helixtrans-51.6-30-168.974.2-173.1-176.4-93.99.5115.8L379 H380 E381 L385 T386 N387 M393 A629L379-R383 WeakPolarHBondContact O-CB 3.49Å; L379-R383 PolarHBondContact O-N 3.37Å; H380-R383 PolarHBondContact CD2-NH1 3.12Å; H380-R383 PolarHBondContact CE1-NH1 2.81Å; H380-R383 PolarHBondContact NE2-NH1 2.84Å; H380-R383 VanDerWaalsContact O-CD 3.26Å; H380-R383 WeakPolarHBondContact O-CD 3.23Å; H380-R383 WeakPolarHBondContact O-CG 3.18Å; H380-R383 PolarHBondContact O-NH1 2.79Å; E381-R383 VanDerWaalsContact C-N 3.32Å; E381-R383 PolarHBondContact O-N 3.28Å; R383-L385 PolarHBondContact O-N 2.65Å; R383-T386 PolarHBondContact O-N 3.18Å; R383-T386 PolarHBondContact O-OG1 2.89Å; R383-N387 VanDerWaalsContact O-CB 3.29Å; R383-N387 WeakPolarHBondContact O-CB 3.46Å; R383-N387 PolarHBondContact O-N 2.8Å; R383-M393 HydrophobicContact CB-CE 3.72Å; R383-A629 HydrophobicContact CB-CB 4.34Å
384Y98.3Very high97.6Very high29 Ų2920.5 Ų20.511%0.11410%0.101CC..Hα-helixtrans-60.3-34.4178.9-63.5-78000112M350 E354 A357 L382 T386 N387 Y388M350-Y384 HydrophobicContact CB-CE2 4.03Å; M350-Y384 HydrophobicContact CE-CE2 3.93Å; M350-Y384 WeakPolarHBondContact CE-OH 3.24Å; M350-Y384 HydrophobicContact CG-CE2 4.25Å; E354-Y384 HydrophobicContact CB-CD1 4.16Å; E354-Y384 HydrophobicContact CB-CD2 3.89Å; E354-Y384 HydrophobicContact CB-CE2 4.29Å; E354-Y384 HydrophobicContact CB-CG 3.82Å; E354-Y384 HydrophobicContact CG-CD1 3.98Å; E354-Y384 HydrophobicContact CG-CE1 4.26Å; E354-Y384 HydrophobicContact CG-CG 4.14Å; A357-Y384 VanDerWaalsContact CB-C 3.46Å; A357-Y384 VanDerWaalsContact CB-O 3.29Å; A357-Y384 WeakPolarHBondContact CB-O 3.28Å; L382-Y384 PolarHBondContact O-N 3.02Å; Y384-T386 VanDerWaalsContact C-N 3.35Å; Y384-T386 PolarHBondContact O-N 3.15Å; Y384-N387 PolarHBondContact O-N 2.68Å; Y384-Y388 AromaticContact CD1-CE1 3.98Å; Y384-Y388 HydrophobicContact CD1-CE1 3.98Å; Y384-Y388 HydrophobicContact CD1-CE2 4.38Å; Y384-Y388 AromaticContact CD1-CZ 3.82Å; Y384-Y388 WeakPolarHBondContact O-CB 3.27Å; Y384-Y388 PolarHBondContact O-N 3.27Å
385L98.8Very high97.8Very high0 Ų015.2 Ų15.20%07%0.072CC..Hα-helixtrans-58.7-46.5-179.8-64.9166000111.1L290 Y353 L356 A357 V367 I369 L382 R383 T389L290-L385 HydrophobicContact CD1-CD1 3.46Å; L290-L385 VanDerWaalsContact CD1-CD1 3.46Å; Y353-L385 HydrophobicContact CD1-CD1 4.03Å; Y353-L385 HydrophobicContact CG-CD1 4.49Å; L356-L385 HydrophobicContact CB-CD2 3.9Å; A357-L385 HydrophobicContact CB-CD2 4.21Å; V367-L385 HydrophobicContact CB-CB 4.02Å; V367-L385 HydrophobicContact CG1-CB 3.87Å; V367-L385 HydrophobicContact CG1-CD1 4.31Å; V367-L385 HydrophobicContact CG1-CD2 4.31Å; V367-L385 HydrophobicContact CG1-CG 4.4Å; V367-L385 HydrophobicContact CG2-CD2 4.42Å; I369-L385 HydrophobicContact CD1-CB 4.25Å; I369-L385 HydrophobicContact CD1-CD1 4.17Å; L382-L385 HydrophobicContact CB-CD1 4.25Å; L382-L385 HydrophobicContact CD2-CD1 3.58Å; L382-L385 VanDerWaalsContact O-CB 3.27Å; L382-L385 WeakPolarHBondContact O-CB 3.49Å; L382-L385 WeakPolarHBondContact O-CG 3.39Å; L382-L385 PolarHBondContact O-N 3.15Å; R383-L385 PolarHBondContact O-N 2.65Å; L385-T389 VanDerWaalsContact O-CB 3.28Å; L385-T389 WeakPolarHBondContact O-CB 3.2Å; L385-T389 WeakPolarHBondContact O-CG2 3.24Å; L385-T389 PolarHBondContact O-N 3.23Å; L385-T389 PolarHBondContact O-OG1 3.48Å
386T98.5Very high97.9Very high0 Ų011.8 Ų11.80%06%0.057CC..Hα-helixtrans-82.2-38.3178.856.50000111.7V367 I369 R383 Y384 Y388 T389 G390 G391 H392 M393 H633V367-T386 WeakPolarHBondContact O-CG2 3.14Å; I369-T386 HydrophobicContact CB-CG2 4.3Å; I369-T386 HydrophobicContact CD1-CG2 3.86Å; I369-T386 HydrophobicContact CG1-CG2 3.81Å; R383-T386 PolarHBondContact O-N 3.18Å; R383-T386 PolarHBondContact O-OG1 2.89Å; Y384-T386 VanDerWaalsContact C-N 3.35Å; Y384-T386 PolarHBondContact O-N 3.15Å; T386-Y388 PolarHBondContact O-N 3.38Å; T386-T389 PolarHBondContact O-N 2.97Å; T386-G390 VanDerWaalsContact O-CA 3.28Å; T386-G390 WeakPolarHBondContact O-CA 3.47Å; T386-G390 PolarHBondContact O-N 2.86Å; T386-G391 PolarHBondContact O-N 2.93Å; T386-H392 WeakPolarHBondContact CG2-O 3.49Å; T386-M393 HydrophobicContact CG2-CB 4.04Å; T386-M393 WeakPolarHBondContact OG1-CE 3.49Å; T386-H633 PolarHBondContact OG1-ND1 3.25Å
387N98.1Very high97.8Very high24 Ų2415.6 Ų15.613%0.1288%0.078CC..Hα-helixtrans-64.8-40.5-179.1-72.6-9.4000112.7R383 Y384 P444 C445 H633R383-N387 VanDerWaalsContact O-CB 3.29Å; R383-N387 WeakPolarHBondContact O-CB 3.46Å; R383-N387 PolarHBondContact O-N 2.8Å; Y384-N387 PolarHBondContact O-N 2.68Å; N387-P444 CarbonylContact O-C 3.49Å; N387-P444 VanDerWaalsContact O-CA 3.24Å; N387-P444 WeakPolarHBondContact O-CA 3.44Å; N387-C445 PolarHBondContact O-N 3.47Å; N387-H633 PolarHBondContact OD1-ND1 3.2Å
388Y98.1Very high97.8Very high47 Ų4716.6 Ų16.618%0.1849%0.085CC..Hα-helixtrans-83.8-23.5-178.6-69.65.5000112.2E354 A357 N358 Y384 T386 F446E354-Y388 HydrophobicContact CG-CE2 4.08Å; E354-Y388 PolarHBondContact OE1-OH 2.86Å; A357-Y388 HydrophobicContact CB-CD2 3.8Å; A357-Y388 HydrophobicContact CB-CG 4.21Å; N358-Y388 VanDerWaalsContact OD1-CE2 3.3Å; N358-Y388 WeakPolarHBondContact OD1-CE2 3.47Å; Y384-Y388 AromaticContact CD1-CE1 3.98Å; Y384-Y388 HydrophobicContact CD1-CE1 3.98Å; Y384-Y388 HydrophobicContact CD1-CE2 4.38Å; Y384-Y388 AromaticContact CD1-CZ 3.82Å; Y384-Y388 WeakPolarHBondContact O-CB 3.27Å; Y384-Y388 PolarHBondContact O-N 3.27Å; T386-Y388 PolarHBondContact O-N 3.38Å; Y388-F446 AromaticContact CD2-CD2 3.75Å; Y388-F446 HydrophobicContact CD2-CD2 3.75Å; Y388-F446 AromaticContact CD2-CE2 3.92Å; Y388-F446 HydrophobicContact CD2-CE2 3.92Å; Y388-F446 HydrophobicContact CE2-CD2 4.31Å; Y388-F446 HydrophobicContact CE2-CE2 4.2Å; Y388-F446 AromaticContact CG-CD2 4Å; Y388-F446 HydrophobicContact CG-CD2 4Å; Y388-F446 WeakPolarHBondContact O-CB 3.1Å
389T98.4Very high97.7Very high1 Ų116.7 Ų16.71%0.0069%0.086CC..Hα-helixtrans-105.4-9.8-175.277.60000115A360 A361 H365 V367 L385 T386 G391 N471 G472A360-T389 HydrophobicContact CB-CG2 3.94Å; A361-T389 HydrophobicContact CB-CG2 4.27Å; H365-T389 VanDerWaalsContact O-CB 3.3Å; H365-T389 WeakPolarHBondContact O-CB 3.29Å; H365-T389 WeakPolarHBondContact O-CG2 3.33Å; V367-T389 HydrophobicContact CG2-CG2 4.43Å; V367-T389 PolarHBondContact N-OG1 2.93Å; L385-T389 VanDerWaalsContact O-CB 3.28Å; L385-T389 WeakPolarHBondContact O-CB 3.2Å; L385-T389 WeakPolarHBondContact O-CG2 3.24Å; L385-T389 PolarHBondContact O-N 3.23Å; L385-T389 PolarHBondContact O-OG1 3.48Å; T386-T389 PolarHBondContact O-N 2.97Å; T389-G391 PolarHBondContact O-N 2.63Å; T389-G391 PolarHBondContact OG1-N 2.85Å; T389-N471 VanDerWaalsContact CA-ND2 3.26Å; T389-N471 WeakPolarHBondContact CA-ND2 3.05Å; T389-N471 WeakPolarHBondContact CB-ND2 3.34Å; T389-N471 WeakPolarHBondContact CG2-ND2 3.47Å; T389-N471 WeakPolarHBondContact O-CB 3.48Å; T389-G472 PolarHBondContact O-N 3.21Å
390G97.7Very high97.6Very high1 Ų118 Ų181%0.0110%0.097CC..  trans69.213.5-17500000115.1T386 G472 K637T386-G390 VanDerWaalsContact O-CA 3.28Å; T386-G390 WeakPolarHBondContact O-CA 3.47Å; T386-G390 PolarHBondContact O-N 2.86Å; G390-G472 CarbonylContact C-O 3.45Å; G390-G472 WeakPolarHBondContact CA-O 3.05Å; G390-K637 PolarHBondContact O-NZ 3.45Å
391G97.9Very high97.5Very high0 Ų018.7 Ų18.70%010%0.104CC..  trans-61.2163.617100000112.9V367 D368 T386 T389 H633V367-G391 WeakPolarHBondContact O-CA 3.28Å; D368-G391 WeakPolarHBondContact OD1-CA 3.28Å; T386-G391 PolarHBondContact O-N 2.93Å; T389-G391 PolarHBondContact O-N 2.63Å; T389-G391 PolarHBondContact OG1-N 2.85Å; G391-H633 PolarHBondContact O-CE1 3.22Å; G391-H633 VanDerWaalsContact O-CE1 3.31Å; G391-H633 PolarHBondContact O-NE2 3.09Å
392H97.7Very high97.2Very high6 Ų624.1 Ų24.13%0.02813%0.133CC..  trans-76.3131.9176.2-57.5-64.7000110R307 D368 I369 T386 I394 F728R307-H392 PolarHBondContact NH2-CD2 3.08Å; R307-H392 PolarHBondContact NH2-NE2 3.16Å; D368-H392 CarbonylContact C-O 3.45Å; D368-H392 WeakPolarHBondContact CA-O 3.48Å; D368-H392 HydrophobicContact CB-CB 4.43Å; D368-H392 IonicContact OD1-CD2 2.78Å; D368-H392 PolarHBondContact OD1-CD2 2.83Å; D368-H392 IonicContact OD1-CG 3.75Å; D368-H392 PolarHBondContact OD1-N 3.27Å; I369-H392 PolarHBondContact N-O 3.32Å; T386-H392 WeakPolarHBondContact CG2-O 3.49Å; H392-I394 HydrophobicContact CB-CD1 4.24Å; H392-I394 HydrophobicContact CB-CG1 4.19Å; H392-F728 HydrophobicContact CB-CZ 4.44Å; H392-F728 AromaticContact CE1-CE1 3.57Å; H392-F728 AromaticContact CE1-CZ 3.55Å; H392-F728 AromaticContact CG-CZ 3.81Å; H392-F728 AromaticContact ND1-CE1 3.17Å; H392-F728 WeakPolarHBondContact ND1-CE1 3.45Å; H392-F728 AromaticContact ND1-CZ 3.3Å; H392-F728 VanDerWaalsContact ND1-CZ 3.3Å; H392-F728 WeakPolarHBondContact ND1-CZ 3.43Å
393M98.1Very high96.9Very high2 Ų227.1 Ų27.11%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-103.9105.1161.4-171.7-176.9-63.300107.9L379 R383 T386 Y630 H633L379-M393 HydrophobicContact CB-SD 4.34Å; L379-M393 HydrophobicContact CD1-CG 4.27Å; L379-M393 HydrophobicContact CD1-SD 4.3Å; L379-M393 HydrophobicContact CD2-CG 4.07Å; L379-M393 HydrophobicContact CD2-SD 4.41Å; R383-M393 HydrophobicContact CB-CE 3.72Å; T386-M393 HydrophobicContact CG2-CB 4.04Å; T386-M393 WeakPolarHBondContact OG1-CE 3.49Å; M393-Y630 HydrophobicContact CG-CD2 4.33Å; M393-Y630 WeakPolarHBondContact O-CD2 3.42Å; M393-Y630 VanDerWaalsContact O-CE2 3.24Å; M393-Y630 WeakPolarHBondContact O-CE2 3.38Å; M393-Y630 VanDerWaalsContact SD-CA 3.54Å; M393-H633 HydrophobicContact CB-CB 4.48Å; M393-H633 VanDerWaalsContact CB-CD2 3.49Å; M393-H633 WeakPolarHBondContact CB-CD2 3.43Å; M393-H633 HydrophobicContact CE-CB 4.11Å; M393-H633 HydrophobicContact SD-CB 4.19Å
394I97.7Very high96.8Very high5 Ų526.5 Ų26.53%0.02615%0.147CC..EExtended strand (participates in β ladder)trans-107.9128.3176.8-54.2-52.9000108.3I369 F370 S371 H392 F404 T407 F728 P729I369-I394 PolarHBondContact O-N 2.75Å; F370-I394 HydrophobicContact CD1-CB 3.81Å; F370-I394 HydrophobicContact CD1-CG1 3.64Å; F370-I394 HydrophobicContact CD1-CG2 4.38Å; F370-I394 HydrophobicContact CE1-CB 4.31Å; F370-I394 HydrophobicContact CE1-CG1 3.61Å; S371-I394 WeakPolarHBondContact CB-O 3.3Å; S371-I394 PolarHBondContact N-O 3.41Å; H392-I394 HydrophobicContact CB-CD1 4.24Å; H392-I394 HydrophobicContact CB-CG1 4.19Å; I394-F404 HydrophobicContact CG2-CD2 4.21Å; I394-F404 HydrophobicContact CG2-CE2 4.42Å; I394-T407 HydrophobicContact CD1-CG2 3.65Å; I394-T407 HydrophobicContact CG1-CG2 4.09Å; I394-T407 HydrophobicContact CG2-CG2 3.91Å; I394-F728 HydrophobicContact CD1-CE1 4.28Å; I394-F728 HydrophobicContact CD1-CZ 4Å; I394-P729 HydrophobicContact CD1-CB 4.18Å; I394-P729 HydrophobicContact CD1-CG 3.63Å
395M96.9Very high96.7Very high52 Ų5226.5 Ų26.526%0.25615%0.148SC..EExtended strand (participates in β ladder)trans-122131176.7-172.2-179.177.500108.6S371 L379 E627 Y630S371-M395 CarbonylContact O-C 3.54Å; S371-M395 WeakPolarHBondContact O-CA 3.35Å; L379-M395 HydrophobicContact CD1-CB 3.8Å; L379-M395 HydrophobicContact CD1-CG 3.8Å; L379-M395 HydrophobicContact CD1-SD 3.9Å; M395-E627 HydrophobicContact CE-CB 4.21Å; M395-E627 HydrophobicContact CE-CG 3.38Å; M395-E627 HydrophobicContact SD-CG 3.96Å; M395-Y630 HydrophobicContact CB-CD1 4.48Å; M395-Y630 HydrophobicContact CB-CD2 4.04Å; M395-Y630 HydrophobicContact CB-CE2 4.42Å; M395-Y630 HydrophobicContact CB-CG 4.06Å; M395-Y630 HydrophobicContact CE-CD1 3.85Å; M395-Y630 HydrophobicContact CE-CE1 4.47Å; M395-Y630 HydrophobicContact CE-CG 4.27Å; M395-Y630 HydrophobicContact SD-CG 4.44Å
396G95.2Very high96.5Very high13 Ų1330.5 Ų30.513%0.13417%0.166CC..EExtended strand (participates in β ladder)trans-150.6175173.700000111.4S371 C372 S373S371-G396 PolarHBondContact O-N 3.45Å; C372-G396 WeakPolarHBondContact CA-O 3.45Å; S373-G396 PolarHBondContact N-O 2.98Å; S373-G396 VanDerWaalsContact N-O 3.11Å
397D94.8Very high96.4Very high106 Ų10630.7 Ų30.757%0.56717%0.167SC*.SBendtrans-87-29.9-178.6-60-26.1000111.8L374L374-D397 HydrophobicContact CD2-CB 3.99Å
398S96.8Very high96.4Very high24 Ų2429.7 Ų29.717%0.16816%0.162CC..  trans-155139.9-169.9157.70000111.1E141 A400 S401E141-S398 WeakPolarHBondContact OE1-CB 3.34Å; E141-S398 PolarHBondContact OE1-OG 3.15Å; E141-S398 WeakPolarHBondContact OE2-CA 3.43Å; E141-S398 WeakPolarHBondContact OE2-CB 3.41Å; E141-S398 PolarHBondContact OE2-OG 3.48Å; S398-A400 WeakPolarHBondContact OG-CB 3.32Å; S398-A400 PolarHBondContact OG-N 3.47Å; S398-S401 WeakPolarHBondContact O-CB 3.32Å; S398-S401 PolarHBondContact O-N 3.42Å; S398-S401 PolarHBondContact O-OG 2.57Å; S398-S401 PolarHBondContact OG-N 3.49Å
399F97.4Very high96.3Very high2 Ų233 Ų331%0.00917%0.174CC..THydrogen-bonded Turntrans-70.6-22.3171.4-68.6-68000112I137 E141 L145 F311 C372 S401 F404I137-F399 HydrophobicContact CD1-CD2 4.06Å; I137-F399 HydrophobicContact CD1-CE2 3.4Å; I137-F399 VanDerWaalsContact CD1-CE2 3.4Å; I137-F399 HydrophobicContact CD1-CZ 4.08Å; I137-F399 HydrophobicContact CG1-CE2 4.22Å; I137-F399 HydrophobicContact CG2-CD2 4.48Å; E141-F399 PolarHBondContact OE2-N 2.92Å; L145-F399 HydrophobicContact CB-CB 4.12Å; L145-F399 HydrophobicContact CB-CD1 4.38Å; L145-F399 HydrophobicContact CB-CD2 4.29Å; L145-F399 HydrophobicContact CB-CG 4.01Å; L145-F399 HydrophobicContact CD1-CD1 3.79Å; L145-F399 HydrophobicContact CD1-CE1 3.9Å; L145-F399 HydrophobicContact CD1-CG 4.28Å; L145-F399 HydrophobicContact CD1-CZ 4.49Å; L145-F399 HydrophobicContact CD2-CD2 4.43Å; L145-F399 HydrophobicContact CD2-CE1 4.47Å; L145-F399 HydrophobicContact CD2-CE2 4.25Å; L145-F399 HydrophobicContact CD2-CZ 4.26Å; L145-F399 HydrophobicContact CG-CD1 4.5Å; F311-F399 HydrophobicContact CB-CZ 4.46Å; F311-F399 HydrophobicContact CD1-CE1 4.32Å; C372-F399 HydrophobicContact CB-CD1 3.81Å; C372-F399 HydrophobicContact CB-CD2 3.65Å; C372-F399 HydrophobicContact CB-CE1 3.76Å; C372-F399 HydrophobicContact CB-CE2 3.59Å; C372-F399 HydrophobicContact CB-CG 3.76Å; C372-F399 HydrophobicContact CB-CZ 3.65Å; C372-F399 VanDerWaalsContact SG-CD1 3.59Å; F399-S401 VanDerWaalsContact C-N 3.28Å; F399-F404 HydrophobicContact CB-CD1 4.42Å; F399-F404 HydrophobicContact CB-CE1 4.49Å; F399-F404 HydrophobicContact CD1-CD1 4.03Å; F399-F404 HydrophobicContact CD1-CD2 4.42Å; F399-F404 AromaticContact CD1-CE1 3.58Å; F399-F404 HydrophobicContact CD1-CE1 3.58Å; F399-F404 AromaticContact CD1-CE2 3.99Å; F399-F404 HydrophobicContact CD1-CE2 3.99Å; F399-F404 HydrophobicContact CD1-CG 4.44Å; F399-F404 AromaticContact CD1-CZ 3.55Å; F399-F404 HydrophobicContact CD1-CZ 3.55Å; F399-F404 HydrophobicContact CE1-CE1 4.35Å; F399-F404 HydrophobicContact CE1-CE2 4.09Å; F399-F404 AromaticContact CE1-CZ 3.86Å; F399-F404 HydrophobicContact CE1-CZ 3.86Å; F399-F404 WeakPolarHBondContact O-CD1 3.3Å
400A96Very high96.1Very high28 Ų2835 Ų3523%0.23118%0.181CC..THydrogen-bonded Turntrans-75.4-16.4172.900000113.1E141 H144 S398 N402E141-A400 PolarHBondContact OE2-N 3.28Å; H144-A400 HydrophobicContact CB-CB 3.97Å; H144-A400 VanDerWaalsContact CG-CB 3.47Å; S398-A400 WeakPolarHBondContact OG-CB 3.32Å; S398-A400 PolarHBondContact OG-N 3.47Å; A400-N402 PolarHBondContact O-N 3.44Å
401S95Very high96Very high35 Ų3535.2 Ų35.225%0.24518%0.183CC..SBendtrans-65.7134.5-17773.60000112.2S398 F399 L403 F404 Q405S398-S401 WeakPolarHBondContact O-CB 3.32Å; S398-S401 PolarHBondContact O-N 3.42Å; S398-S401 PolarHBondContact O-OG 2.57Å; S398-S401 PolarHBondContact OG-N 3.49Å; F399-S401 VanDerWaalsContact C-N 3.28Å; S401-L403 PolarHBondContact O-N 3.37Å; S401-L403 VanDerWaalsContact O-N 3.15Å; S401-F404 PolarHBondContact O-N 3.4Å; S401-F404 VanDerWaalsContact O-N 3.1Å; S401-F404 VanDerWaalsContact OG-CB 3.27Å; S401-F404 WeakPolarHBondContact OG-CB 3.27Å; S401-F404 PolarHBondContact OG-N 2.79Å; S401-Q405 WeakPolarHBondContact O-CG 3.44Å; S401-Q405 PolarHBondContact O-N 2.82Å
402N92.4Very high95.9Very high114 Ų11435.6 Ų35.661%0.6118%0.184SC*.Hα-helixtrans-54.7-34172.5-77.7-41.1000112A400 Q405 Q406A400-N402 PolarHBondContact O-N 3.44Å; N402-Q405 PolarHBondContact O-N 2.64Å; N402-Q406 VanDerWaalsContact O-CB 3.31Å; N402-Q406 WeakPolarHBondContact O-CB 3.41Å; N402-Q406 VanDerWaalsContact O-CG 3.23Å; N402-Q406 WeakPolarHBondContact O-CG 3.49Å; N402-Q406 PolarHBondContact O-N 3.3Å
403L93.3Very high95.7Very high64 Ų6439 Ų3934%0.33520%0.203SC..Hα-helixtrans-59.1-50.5176.8-173.569000111.5S401 T407 V730 S731S401-L403 PolarHBondContact O-N 3.37Å; S401-L403 VanDerWaalsContact O-N 3.15Å; L403-T407 VanDerWaalsContact O-CB 3.29Å; L403-T407 WeakPolarHBondContact O-CB 3.32Å; L403-T407 PolarHBondContact O-N 2.69Å; L403-T407 VanDerWaalsContact O-N 3.09Å; L403-T407 PolarHBondContact O-OG1 3.37Å; L403-V730 HydrophobicContact CD1-CB 3.9Å; L403-V730 HydrophobicContact CD1-CG1 3.8Å; L403-V730 VanDerWaalsContact CD1-O 3.25Å; L403-V730 WeakPolarHBondContact CD1-O 3.04Å; L403-S731 WeakPolarHBondContact CD1-O 3.32Å
404F96.2Very high95.5Very high4 Ų443.8 Ų43.82%0.01822%0.223CC..Hα-helixtrans-63.4-51.5176172.3-97.6000111F311 F370 C372 I394 F399 S401 Q406 T407 Y408F311-F404 HydrophobicContact CE1-CZ 4.47Å; F370-F404 HydrophobicContact CB-CE2 3.99Å; F370-F404 HydrophobicContact CB-CZ 4.32Å; F370-F404 HydrophobicContact CD1-CE2 4.04Å; F370-F404 HydrophobicContact CD1-CZ 4.48Å; F370-F404 HydrophobicContact CG-CE2 4.42Å; C372-F404 WeakPolarHBondContact SG-CD2 3.2Å; I394-F404 HydrophobicContact CG2-CD2 4.21Å; I394-F404 HydrophobicContact CG2-CE2 4.42Å; F399-F404 HydrophobicContact CB-CD1 4.42Å; F399-F404 HydrophobicContact CB-CE1 4.49Å; F399-F404 HydrophobicContact CD1-CD1 4.03Å; F399-F404 HydrophobicContact CD1-CD2 4.42Å; F399-F404 AromaticContact CD1-CE1 3.58Å; F399-F404 HydrophobicContact CD1-CE1 3.58Å; F399-F404 AromaticContact CD1-CE2 3.99Å; F399-F404 HydrophobicContact CD1-CE2 3.99Å; F399-F404 HydrophobicContact CD1-CG 4.44Å; F399-F404 AromaticContact CD1-CZ 3.55Å; F399-F404 HydrophobicContact CD1-CZ 3.55Å; F399-F404 HydrophobicContact CE1-CE1 4.35Å; F399-F404 HydrophobicContact CE1-CE2 4.09Å; F399-F404 AromaticContact CE1-CZ 3.86Å; F399-F404 HydrophobicContact CE1-CZ 3.86Å; F399-F404 WeakPolarHBondContact O-CD1 3.3Å; S401-F404 PolarHBondContact O-N 3.4Å; S401-F404 VanDerWaalsContact O-N 3.1Å; S401-F404 VanDerWaalsContact OG-CB 3.27Å; S401-F404 WeakPolarHBondContact OG-CB 3.27Å; S401-F404 PolarHBondContact OG-N 2.79Å; F404-Q406 VanDerWaalsContact C-N 3.34Å; F404-Q406 PolarHBondContact O-N 3.14Å; F404-T407 WeakPolarHBondContact O-CB 3.42Å; F404-T407 PolarHBondContact O-N 3.37Å; F404-T407 VanDerWaalsContact O-N 3.13Å; F404-Y408 HydrophobicContact CE1-CG 4.41Å; F404-Y408 HydrophobicContact CZ-CD2 4.37Å; F404-Y408 HydrophobicContact CZ-CG 4.17Å; F404-Y408 WeakPolarHBondContact O-CB 3.39Å; F404-Y408 PolarHBondContact O-N 3.33Å
405Q95.9Very high95Very high29 Ų2944.7 Ų44.714%0.13623%0.229CC..Hα-helixtrans-60-42.9-175.2-68.1-178-4.900112.3S401 N402 Y408 R409S401-Q405 WeakPolarHBondContact O-CG 3.44Å; S401-Q405 PolarHBondContact O-N 2.82Å; N402-Q405 PolarHBondContact O-N 2.64Å; Q405-Y408 PolarHBondContact O-N 3.49Å; Q405-R409 WeakPolarHBondContact O-CB 3.28Å; Q405-R409 WeakPolarHBondContact O-CG 3.34Å; Q405-R409 PolarHBondContact O-N 2.93Å
406Q95Very high94.5Very high84 Ų8446.9 Ų46.939%0.39326%0.255SS..Hα-helixtrans-67.4-41.6176.1-69.7-178.415.700111.9N402 F404 R409 R410 V730N402-Q406 VanDerWaalsContact O-CB 3.31Å; N402-Q406 WeakPolarHBondContact O-CB 3.41Å; N402-Q406 VanDerWaalsContact O-CG 3.23Å; N402-Q406 WeakPolarHBondContact O-CG 3.49Å; N402-Q406 PolarHBondContact O-N 3.3Å; F404-Q406 VanDerWaalsContact C-N 3.34Å; F404-Q406 PolarHBondContact O-N 3.14Å; Q406-R409 PolarHBondContact O-N 2.95Å; Q406-R410 WeakPolarHBondContact O-CG 3.28Å; Q406-R410 PolarHBondContact O-N 3.15Å; Q406-V730 HydrophobicContact CB-CG2 3.87Å
407T96.9Very high94Very high4 Ų450.2 Ų50.23%0.02528%0.276CS..Hα-helixtrans-59.4-47.6174.6-650000111.2I394 L403 F404 R410 F728 P729 V730I394-T407 HydrophobicContact CD1-CG2 3.65Å; I394-T407 HydrophobicContact CG1-CG2 4.09Å; I394-T407 HydrophobicContact CG2-CG2 3.91Å; L403-T407 VanDerWaalsContact O-CB 3.29Å; L403-T407 WeakPolarHBondContact O-CB 3.32Å; L403-T407 PolarHBondContact O-N 2.69Å; L403-T407 VanDerWaalsContact O-N 3.09Å; L403-T407 PolarHBondContact O-OG1 3.37Å; F404-T407 WeakPolarHBondContact O-CB 3.42Å; F404-T407 PolarHBondContact O-N 3.37Å; F404-T407 VanDerWaalsContact O-N 3.13Å; T407-R410 PolarHBondContact O-N 3.33Å; T407-F728 HydrophobicContact CG2-CE2 4.23Å; T407-P729 HydrophobicContact CG2-CB 3.83Å; T407-V730 VanDerWaalsContact OG1-CB 3.32Å; T407-V730 WeakPolarHBondContact OG1-CB 3.5Å; T407-V730 WeakPolarHBondContact OG1-CG2 3.3Å; T407-V730 PolarHBondContact OG1-N 2.94Å
408Y97.4Very high93.7Very high3 Ų347.4 Ų47.41%0.01227%0.272CS..Hα-helixtrans-63.5-44.7-179.1-177.8-115.2000111.8S148 S152 M309 F311 F370 F404 Q405 R410 V411 F412S148-Y408 WeakPolarHBondContact O-CE1 3.49Å; S152-Y408 WeakPolarHBondContact CB-OH 3.27Å; S152-Y408 PolarHBondContact OG-OH 3.3Å; M309-Y408 HydrophobicContact CE-CE2 3.64Å; F311-Y408 HydrophobicContact CE1-CD2 4.11Å; F311-Y408 AromaticContact CE1-CE2 3.54Å; F311-Y408 HydrophobicContact CE1-CE2 3.54Å; F311-Y408 AromaticContact CE1-CZ 3.85Å; F311-Y408 AromaticContact CZ-CE2 3.53Å; F311-Y408 HydrophobicContact CZ-CE2 3.53Å; F311-Y408 AromaticContact CZ-CZ 3.66Å; F311-Y408 WeakPolarHBondContact CZ-OH 3.16Å; F370-Y408 AromaticContact CD1-CD2 3.85Å; F370-Y408 HydrophobicContact CD1-CD2 3.85Å; F370-Y408 HydrophobicContact CD1-CE2 4.43Å; F370-Y408 HydrophobicContact CD2-CE2 4.47Å; F370-Y408 AromaticContact CE1-CD2 3.57Å; F370-Y408 HydrophobicContact CE1-CD2 3.57Å; F370-Y408 HydrophobicContact CE1-CE2 4.1Å; F370-Y408 HydrophobicContact CE2-CD2 4.43Å; F370-Y408 HydrophobicContact CE2-CE2 4.15Å; F370-Y408 HydrophobicContact CG-CD2 4.39Å; F370-Y408 AromaticContact CZ-CD2 3.9Å; F370-Y408 HydrophobicContact CZ-CD2 3.9Å; F370-Y408 AromaticContact CZ-CE2 3.95Å; F370-Y408 HydrophobicContact CZ-CE2 3.95Å; F404-Y408 HydrophobicContact CE1-CG 4.41Å; F404-Y408 HydrophobicContact CZ-CD2 4.37Å; F404-Y408 HydrophobicContact CZ-CG 4.17Å; F404-Y408 WeakPolarHBondContact O-CB 3.39Å; F404-Y408 PolarHBondContact O-N 3.33Å; Q405-Y408 PolarHBondContact O-N 3.49Å; Y408-R410 PolarHBondContact O-N 2.89Å; Y408-V411 VanDerWaalsContact O-CB 3.27Å; Y408-V411 WeakPolarHBondContact O-CB 3.3Å; Y408-V411 WeakPolarHBondContact O-CG2 3.23Å; Y408-V411 PolarHBondContact O-N 3.44Å; Y408-V411 VanDerWaalsContact O-N 3.12Å; Y408-F412 HydrophobicContact CE1-CE2 4.13Å; Y408-F412 HydrophobicContact CE2-CE2 4.06Å; Y408-F412 AromaticContact CZ-CE2 3.75Å
409R95.6Very high93.3Very high116 Ų11647.1 Ų47.144%0.43827%0.27SS..Hα-helixtrans-56.2-38.4175-73.5171.1-172.4-1742.6112.2L151 F155 Q405 Q406 V411 F412L151-R409 HydrophobicContact CD2-CG 4.31Å; L151-R409 VanDerWaalsContact CD2-CZ 3.48Å; L151-R409 VanDerWaalsContact CD2-NH2 3.33Å; F155-R409 HydrophobicContact CE2-CB 4.46Å; F155-R409 HydrophobicContact CE2-CG 4.12Å; F155-R409 HydrophobicContact CZ-CG 4.43Å; Q405-R409 WeakPolarHBondContact O-CB 3.28Å; Q405-R409 WeakPolarHBondContact O-CG 3.34Å; Q405-R409 PolarHBondContact O-N 2.93Å; Q406-R409 PolarHBondContact O-N 2.95Å; R409-V411 PolarHBondContact O-N 3.43Å; R409-F412 PolarHBondContact O-N 2.92Å; R409-F412 VanDerWaalsContact O-N 3.09Å
410R94.8Very high93.1Very high42 Ų4247.5 Ų47.516%0.15827%0.272CS..Hα-helixtrans-67.6-18.5-179.3-72.5176.9-169-169.94.4114.7Q406 T407 Y408 F412 N413 L724 K725 R727 F728Q406-R410 WeakPolarHBondContact O-CG 3.28Å; Q406-R410 PolarHBondContact O-N 3.15Å; T407-R410 PolarHBondContact O-N 3.33Å; Y408-R410 PolarHBondContact O-N 2.89Å; R410-F412 PolarHBondContact O-N 2.8Å; R410-F412 VanDerWaalsContact O-N 3.16Å; R410-N413 WeakPolarHBondContact O-CB 3.29Å; R410-N413 PolarHBondContact O-N 3.03Å; R410-N413 VanDerWaalsContact O-N 3.14Å; R410-L724 PolarHBondContact NH1-O 2.79Å; R410-L724 PolarHBondContact NH2-O 3.48Å; R410-K725 PolarHBondContact NH1-O 3.43Å; R410-R727 PolarHBondContact NH1-O 2.93Å; R410-F728 HydrophobicContact CB-CD2 3.83Å; R410-F728 HydrophobicContact CB-CE2 4.21Å
411V95.8Very high92.9Very high7 Ų747.9 Ų47.94%0.04227%0.27CS..THydrogen-bonded Turntrans-57.2-28.3171.1177.60000111.1M309 F370 Y408 R409 M422 F728M309-V411 HydrophobicContact CE-CG1 4.17Å; F370-V411 HydrophobicContact CE1-CG2 3.99Å; F370-V411 HydrophobicContact CZ-CG2 3.98Å; Y408-V411 VanDerWaalsContact O-CB 3.27Å; Y408-V411 WeakPolarHBondContact O-CB 3.3Å; Y408-V411 WeakPolarHBondContact O-CG2 3.23Å; Y408-V411 PolarHBondContact O-N 3.44Å; Y408-V411 VanDerWaalsContact O-N 3.12Å; R409-V411 PolarHBondContact O-N 3.43Å; V411-M422 WeakPolarHBondContact O-CE 3.25Å; V411-F728 HydrophobicContact CG2-CE2 3.93Å; V411-F728 HydrophobicContact CG2-CZ 4.04Å
412F95.8Very high92.9Very high8 Ų846.4 Ų46.44%0.03526%0.259CS..THydrogen-bonded Turntrans-103.218-177.4-55.1-82.3000113.4F129 S152 F155 L156 M309 Y408 R409 R410 F420F129-F412 HydrophobicContact CE1-CE1 4.23Å; S152-F412 VanDerWaalsContact CB-CE2 3.44Å; F155-F412 HydrophobicContact CB-CB 3.98Å; F155-F412 HydrophobicContact CB-CG 4.3Å; F155-F412 HydrophobicContact CD2-CB 3.86Å; F155-F412 HydrophobicContact CD2-CD2 4.01Å; F155-F412 HydrophobicContact CD2-CG 4.03Å; F155-F412 HydrophobicContact CG-CB 4.3Å; L156-F412 HydrophobicContact CD2-CD1 4.06Å; L156-F412 HydrophobicContact CD2-CE1 3.79Å; M309-F412 HydrophobicContact CE-CE2 4.3Å; M309-F412 HydrophobicContact CE-CZ 3.75Å; M309-F412 HydrophobicContact SD-CZ 4.11Å; Y408-F412 HydrophobicContact CE1-CE2 4.13Å; Y408-F412 HydrophobicContact CE2-CE2 4.06Å; Y408-F412 AromaticContact CZ-CE2 3.75Å; R409-F412 PolarHBondContact O-N 2.92Å; R409-F412 VanDerWaalsContact O-N 3.09Å; R410-F412 PolarHBondContact O-N 2.8Å; R410-F412 VanDerWaalsContact O-N 3.16Å; F412-F420 HydrophobicContact CB-CD1 4.3Å; F412-F420 HydrophobicContact CB-CE1 3.82Å; F412-F420 HydrophobicContact CD1-CE1 4.12Å; F412-F420 HydrophobicContact CD1-CZ 4.03Å; F412-F420 HydrophobicContact CG-CE1 4.49Å; F412-F420 VanDerWaalsContact O-CD1 3.29Å; F412-F420 WeakPolarHBondContact O-CD1 3.16Å; F412-F420 WeakPolarHBondContact O-CE1 3.17Å
413N94Very high93Very high78 Ų7841 Ų4142%0.41723%0.23SC..  trans-57.3143.2173.7-80.1-5.5000111R410 F420 L421R410-N413 WeakPolarHBondContact O-CB 3.29Å; R410-N413 PolarHBondContact O-N 3.03Å; R410-N413 VanDerWaalsContact O-N 3.14Å; N413-F420 CarbonylContact O-C 3.6Å; N413-F420 WeakPolarHBondContact O-CA 3.29Å; N413-L421 HydrophobicContact CB-CD1 4.11Å; N413-L421 PolarHBondContact O-N 3.02Å
414K92.8Very high93Very high101 Ų10138 Ų3844%0.43921%0.214SC..BIsolated β-bridgetrans-116.1147.9-175.6-65.7173.1179.7-179.20110.9F155 G418 S419 F420F155-K414 WeakPolarHBondContact O-CE 3.4Å; F155-K414 PolarHBondContact O-NZ 3.17Å; K414-G418 WeakPolarHBondContact CD-O 3.24Å; K414-S419 CarbonylContact C-O 3.13Å; K414-S419 WeakPolarHBondContact CA-O 3.41Å; K414-F420 HydrophobicContact CD-CD1 4.49Å; K414-F420 HydrophobicContact CD-CE1 4.43Å; K414-F420 HydrophobicContact CG-CD1 3.75Å; K414-F420 HydrophobicContact CG-CE1 4.13Å
415D87.3Confident92.9Very high25 Ų2538.5 Ų38.513%0.13422%0.22CC..  trans-72.9176.4167.959.725.4000111.5S417 G418 S419 L421 R515D415-S417 VanDerWaalsContact CG-OG 3.24Å; D415-S417 PolarHBondContact O-N 3.23Å; D415-S417 VanDerWaalsContact OD1-CA 3.26Å; D415-S417 WeakPolarHBondContact OD1-CA 3.47Å; D415-S417 VanDerWaalsContact OD1-CB 3.31Å; D415-S417 WeakPolarHBondContact OD1-CB 3.36Å; D415-S417 PolarHBondContact OD1-N 2.84Å; D415-S417 PolarHBondContact OD1-OG 2.81Å; D415-S417 PolarHBondContact OD2-OG 2.95Å; D415-G418 PolarHBondContact O-N 3.4Å; D415-G418 PolarHBondContact OD1-N 2.88Å; D415-G418 VanDerWaalsContact OD1-N 3.12Å; D415-S419 PolarHBondContact N-O 3.2Å; D415-S419 PolarHBondContact OD1-N 2.87Å; D415-L421 HydrophobicContact CB-CD2 3.5Å; D415-R515 IonicContact OD2-NH1 3.95Å; D415-R515 PolarHBondContact OD2-NH1 2.77Å
416A85.4Confident92.9Very high98 Ų9837.1 Ų37.181%0.8121%0.213SC*.THydrogen-bonded Turntrans-57.3-17.5173.800000114.2Y49Y49-A416 HydrophobicContact CE1-CB 4.41Å
417S84.7Confident92.9Very high83 Ų8335.7 Ų35.758%0.5821%0.206SC*.THydrogen-bonded Turntrans-91.60.8175.680.30000113.5D415 S419D415-S417 VanDerWaalsContact CG-OG 3.24Å; D415-S417 PolarHBondContact O-N 3.23Å; D415-S417 VanDerWaalsContact OD1-CA 3.26Å; D415-S417 WeakPolarHBondContact OD1-CA 3.47Å; D415-S417 VanDerWaalsContact OD1-CB 3.31Å; D415-S417 WeakPolarHBondContact OD1-CB 3.36Å; D415-S417 PolarHBondContact OD1-N 2.84Å; D415-S417 PolarHBondContact OD1-OG 2.81Å; D415-S417 PolarHBondContact OD2-OG 2.95Å; S417-S419 VanDerWaalsContact C-N 3.28Å; S417-S419 PolarHBondContact O-N 2.87Å; S417-S419 PolarHBondContact OG-OG 2.63Å
418G88.5Confident93Very high47 Ų4735.5 Ų35.549%0.48521%0.205SC..SBendtrans787.7-176.900000114.3K414 D415K414-G418 WeakPolarHBondContact CD-O 3.24Å; D415-G418 PolarHBondContact O-N 3.4Å; D415-G418 PolarHBondContact OD1-N 2.88Å; D415-G418 VanDerWaalsContact OD1-N 3.12Å
419S89.5Confident93Very high18 Ų1835.8 Ų35.813%0.12621%0.207CC..  trans-88.8145.5176.5-59.60000110.1K414 D415 S417K414-S419 CarbonylContact C-O 3.13Å; K414-S419 WeakPolarHBondContact CA-O 3.41Å; D415-S419 PolarHBondContact N-O 3.2Å; D415-S419 PolarHBondContact OD1-N 2.87Å; S417-S419 VanDerWaalsContact C-N 3.28Å; S417-S419 PolarHBondContact O-N 2.87Å; S417-S419 PolarHBondContact OG-OG 2.63Å
420F93.2Very high93.1Very high10 Ų1030.3 Ų30.34%0.04419%0.186CC..BIsolated β-bridgetrans-61.6143.1177.5-60.3-54.8000112.9F129 F155 L156 F412 N413 K414 M422 A516F129-F420 HydrophobicContact CE2-CE2 4.25Å; F129-F420 HydrophobicContact CZ-CD2 4.21Å; F129-F420 AromaticContact CZ-CE2 3.98Å; F129-F420 HydrophobicContact CZ-CE2 3.98Å; F155-F420 WeakPolarHBondContact O-CZ 3.4Å; L156-F420 HydrophobicContact CD2-CE2 4.1Å; L156-F420 HydrophobicContact CD2-CZ 3.99Å; F412-F420 HydrophobicContact CB-CD1 4.3Å; F412-F420 HydrophobicContact CB-CE1 3.82Å; F412-F420 HydrophobicContact CD1-CE1 4.12Å; F412-F420 HydrophobicContact CD1-CZ 4.03Å; F412-F420 HydrophobicContact CG-CE1 4.49Å; F412-F420 VanDerWaalsContact O-CD1 3.29Å; F412-F420 WeakPolarHBondContact O-CD1 3.16Å; F412-F420 WeakPolarHBondContact O-CE1 3.17Å; N413-F420 CarbonylContact O-C 3.6Å; N413-F420 WeakPolarHBondContact O-CA 3.29Å; K414-F420 HydrophobicContact CD-CD1 4.49Å; K414-F420 HydrophobicContact CD-CE1 4.43Å; K414-F420 HydrophobicContact CG-CD1 3.75Å; K414-F420 HydrophobicContact CG-CE1 4.13Å; F420-M422 HydrophobicContact CB-CE 3.81Å; F420-M422 HydrophobicContact CB-CG 3.93Å; F420-M422 HydrophobicContact CB-SD 4.13Å; F420-M422 HydrophobicContact CG-CE 4.29Å; F420-M422 PolarHBondContact O-N 2.71Å; F420-A516 HydrophobicContact CB-CB 3.64Å; F420-A516 HydrophobicContact CD2-CB 4.19Å; F420-A516 HydrophobicContact CG-CB 4.38Å
421L92.6Very high93.3Very high36 Ų3628.7 Ų28.719%0.18818%0.18CC..SBendtrans-75.262.4178.4-68.4-177.5000112.6E47 N413 D415 P475E47-L421 WeakPolarHBondContact OE1-CD1 2.96Å; E47-L421 WeakPolarHBondContact OE1-CD2 3.17Å; N413-L421 HydrophobicContact CB-CD1 4.11Å; N413-L421 PolarHBondContact O-N 3.02Å; D415-L421 HydrophobicContact CB-CD2 3.5Å; L421-P475 HydrophobicContact CB-CG 4.15Å; L421-P475 HydrophobicContact CD2-CG 4.44Å; L421-P475 VanDerWaalsContact O-CD 3.31Å; L421-P475 WeakPolarHBondContact O-CD 3.41Å
422M93.2Very high93.4Very high4 Ų428.5 Ų28.52%0.0218%0.179CC..  trans-150.6141.7179.559.3-173.468.700112R307 V411 F420 L424 F473 A516R307-M422 PolarHBondContact NH1-SD 3.27Å; V411-M422 WeakPolarHBondContact O-CE 3.25Å; F420-M422 HydrophobicContact CB-CE 3.81Å; F420-M422 HydrophobicContact CB-CG 3.93Å; F420-M422 HydrophobicContact CB-SD 4.13Å; F420-M422 HydrophobicContact CG-CE 4.29Å; F420-M422 PolarHBondContact O-N 2.71Å; M422-L424 HydrophobicContact SD-CD2 4.45Å; M422-F473 CarbonylContact C-O 3.36Å; M422-F473 WeakPolarHBondContact CA-O 3.42Å; M422-A516 HydrophobicContact CG-CB 3.97Å
423G94.2Very high93.3Very high0 Ų028.3 Ų28.30%018%0.178CC..EExtended strand (participates in β ladder)trans-97.1139162.700000110.1G472 F473G423-G472 WeakPolarHBondContact O-CA 3.26Å; G423-F473 PolarHBondContact N-O 3.4Å; G423-F473 PolarHBondContact O-N 2.67Å
424L95.2Very high93.2Very high1 Ų129.8 Ų29.81%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-125.6159.1-179.1-61.6173.1000110.4P127 R307 V366 M422 G426 N471 Q514P127-L424 HydrophobicContact CB-CD1 4.05Å; R307-L424 HydrophobicContact CG-CD2 4.02Å; V366-L424 HydrophobicContact CG2-CD2 4.11Å; M422-L424 HydrophobicContact SD-CD2 4.45Å; L424-G426 PolarHBondContact O-N 3.32Å; L424-G426 VanDerWaalsContact O-N 3.12Å; L424-N471 CarbonylContact C-O 3.56Å; L424-N471 VanDerWaalsContact CA-O 3.27Å; L424-N471 WeakPolarHBondContact CA-O 3.37Å; L424-Q514 HydrophobicContact CB-CB 4.45Å; L424-Q514 PolarHBondContact N-O 3.22Å; L424-Q514 WeakPolarHBondContact O-CA 3.46Å; L424-Q514 WeakPolarHBondContact O-CB 3.43Å; L424-Q514 PolarHBondContact O-N 2.95Å
425A94.2Very high93.1Very high15 Ų1526 Ų2612%0.12417%0.165CC..EExtended strand (participates in β ladder)trans44.448173.100000114.5L364 N471L364-A425 HydrophobicContact CB-CB 3.82Å; L364-A425 HydrophobicContact CD1-CB 3.99Å; L364-A425 HydrophobicContact CG-CB 4.49Å; A425-N471 PolarHBondContact N-O 3.34Å
426G94.7Very high93.5Very high0 Ų024.8 Ų24.80%016%0.159CC..EExtended strand (participates in β ladder)trans-92159-175.400000114.6L424 L470 Q512L424-G426 PolarHBondContact O-N 3.32Å; L424-G426 VanDerWaalsContact O-N 3.12Å; G426-L470 WeakPolarHBondContact CA-O 3.39Å; G426-L470 PolarHBondContact N-O 3.06Å; G426-L470 PolarHBondContact O-N 3.35Å; G426-Q512 CarbonylContact C-O 3.53Å; G426-Q512 WeakPolarHBondContact CA-O 3.49Å
427Q96.3Very high94.1Very high54 Ų5422.2 Ų22.225%0.25213%0.129SC..EExtended strand (participates in β ladder)trans-144132168.1-171.3175.2-78.100108.9V231 V467 W468 T511 Q512V231-Q427 HydrophobicContact CG1-CB 4.29Å; V231-Q427 HydrophobicContact CG1-CG 4.48Å; V231-Q427 HydrophobicContact CG2-CG 4.25Å; Q427-V467 HydrophobicContact CG-CG1 3.67Å; Q427-W468 CarbonylContact C-O 3.55Å; Q427-W468 WeakPolarHBondContact CA-O 3.36Å; Q427-W468 WeakPolarHBondContact CG-O 3.26Å; Q427-T511 WeakPolarHBondContact O-CA 3.14Å; Q427-Q512 PolarHBondContact N-O 3.45Å; Q427-Q512 PolarHBondContact O-N 3.47Å
428M97.4Very high94.7Very high0 Ų018.3 Ų18.30%010%0.102CC..EExtended strand (participates in β ladder)trans-114.8132.1176.6177-175.569.400110.2Y42 L44 V430 V467 W468 L470 L479 I481 F509 V510 T511Y42-M428 HydrophobicContact CD1-SD 3.78Å; Y42-M428 HydrophobicContact CE1-SD 3.73Å; L44-M428 HydrophobicContact CD2-SD 3.63Å; M428-V430 HydrophobicContact CE-CG2 4.01Å; M428-V430 HydrophobicContact CG-CG2 4.37Å; M428-V430 HydrophobicContact SD-CG2 4.28Å; M428-V467 CarbonylContact O-C 3.55Å; M428-V467 VanDerWaalsContact O-CA 3.25Å; M428-V467 WeakPolarHBondContact O-CA 3.28Å; M428-W468 HydrophobicContact CE-CE3 3.79Å; M428-W468 HydrophobicContact CE-CZ3 4.2Å; M428-W468 PolarHBondContact N-O 3.17Å; M428-W468 PolarHBondContact O-N 3.3Å; M428-L470 HydrophobicContact CB-CD1 3.5Å; M428-L470 VanDerWaalsContact CB-CD1 3.5Å; M428-L470 HydrophobicContact CB-CG 4.31Å; M428-L479 HydrophobicContact CE-CD1 3.59Å; M428-L479 HydrophobicContact SD-CD1 4.39Å; M428-I481 HydrophobicContact CE-CD1 3.73Å; M428-I481 HydrophobicContact SD-CD1 4.26Å; M428-F509 HydrophobicContact SD-CD1 4.09Å; M428-V510 CarbonylContact C-O 3.6Å; M428-V510 VanDerWaalsContact CA-O 3.32Å; M428-V510 WeakPolarHBondContact CA-O 3.2Å; M428-T511 HydrophobicContact CB-CG2 4.45Å; M428-T511 WeakPolarHBondContact CG-OG1 3.19Å
429E98Very high95.2Very high9 Ų916.1 Ų16.14%0.0428%0.079CC..EExtended strand (participates in β ladder)trans-111.5133.8165.2171.4-179.1-17400109.7G230 V231 K431 S466 V467 V510G230-E429 WeakPolarHBondContact CA-OE2 3.29Å; V231-E429 HydrophobicContact CB-CB 4.41Å; V231-E429 HydrophobicContact CG2-CB 3.21Å; V231-E429 HydrophobicContact CG2-CG 4.37Å; V231-E429 PolarHBondContact N-OE2 3.29Å; E429-K431 HydrophobicContact CG-CG 4.01Å; E429-K431 WeakPolarHBondContact OE1-CE 3.46Å; E429-K431 IonicContact OE1-NZ 2.89Å; E429-K431 PolarHBondContact OE1-NZ 3.41Å; E429-K431 IonicContact OE2-NZ 3.34Å; E429-K431 PolarHBondContact OE2-NZ 3.37Å; E429-S466 WeakPolarHBondContact CA-O 3.48Å; E429-V467 HydrophobicContact CB-CG2 4.02Å; E429-V467 HydrophobicContact CG-CG2 4.01Å; E429-V510 PolarHBondContact N-O 3.03Å; E429-V510 PolarHBondContact O-N 2.94Å
430V98.3Very high95.6Very high0 Ų015.2 Ų15.20%07%0.073CC..EExtended strand (participates in β ladder)trans-102.4119173.8-178.60000108.4M428 T432 V438 S466 W468 I481 F483 V507 F509M428-V430 HydrophobicContact CE-CG2 4.01Å; M428-V430 HydrophobicContact CG-CG2 4.37Å; M428-V430 HydrophobicContact SD-CG2 4.28Å; V430-T432 HydrophobicContact CG1-CG2 4.42Å; V430-V438 HydrophobicContact CB-CG2 4.04Å; V430-V438 HydrophobicContact CG1-CG2 3.67Å; V430-S466 PolarHBondContact N-O 3.47Å; V430-W468 HydrophobicContact CB-CZ3 4.18Å; V430-W468 HydrophobicContact CG2-CE3 4.41Å; V430-W468 HydrophobicContact CG2-CZ3 3.65Å; V430-I481 HydrophobicContact CG2-CD1 4.25Å; V430-F483 HydrophobicContact CG1-CE1 3.88Å; V430-F483 HydrophobicContact CG1-CZ 4.36Å; V430-V507 HydrophobicContact CG1-CG1 3.8Å; V430-F509 HydrophobicContact CG1-CD1 4.39Å; V430-F509 HydrophobicContact CG1-CE1 4.11Å; V430-F509 HydrophobicContact CG2-CD1 3.68Å; V430-F509 HydrophobicContact CG2-CE1 3.91Å
431K98Very high95.8Very high8 Ų814.8 Ų14.84%0.0357%0.071CC..EExtended strand (participates in β ladder)trans-108.3143.2174.6-59.2177.6-177.9-73.70109.5C64 R65 L85 E429 N454 V507 Q508C64-K431 PolarHBondContact O-NZ 2.98Å; R65-K431 VanDerWaalsContact O-CE 3.26Å; R65-K431 WeakPolarHBondContact O-CE 3.33Å; L85-K431 HydrophobicContact CD1-CB 3.95Å; L85-K431 HydrophobicContact CD1-CD 4.33Å; E429-K431 HydrophobicContact CG-CG 4.01Å; E429-K431 WeakPolarHBondContact OE1-CE 3.46Å; E429-K431 IonicContact OE1-NZ 2.89Å; E429-K431 PolarHBondContact OE1-NZ 3.41Å; E429-K431 IonicContact OE2-NZ 3.34Å; E429-K431 PolarHBondContact OE2-NZ 3.37Å; K431-N454 WeakPolarHBondContact CA-ND2 3.38Å; K431-V507 CarbonylContact O-C 3.5Å; K431-V507 WeakPolarHBondContact O-CA 3.42Å; K431-Q508 HydrophobicContact CB-CB 4.37Å; K431-Q508 PolarHBondContact N-O 3.08Å; K431-Q508 PolarHBondContact O-N 3.2Å
432T97.3Very high96.1Very high3 Ų313.2 Ų13.22%0.0186%0.063CC..EExtended strand (participates in β ladder)trans-130.5162.5-178.356.10000110.6V430 L436 V438 N454 F483 Y506 V507V430-T432 HydrophobicContact CG1-CG2 4.42Å; T432-L436 VanDerWaalsContact CB-O 3.3Å; T432-L436 WeakPolarHBondContact CB-O 3.32Å; T432-L436 HydrophobicContact CG2-CD2 4.17Å; T432-L436 HydrophobicContact CG2-CG 4.47Å; T432-L436 PolarHBondContact OG1-O 3Å; T432-V438 HydrophobicContact CG2-CG2 3.9Å; T432-N454 WeakPolarHBondContact OG1-CB 3.3Å; T432-F483 HydrophobicContact CG2-CD1 4.16Å; T432-F483 HydrophobicContact CG2-CE1 4.06Å; T432-Y506 CarbonylContact C-O 3.56Å; T432-Y506 VanDerWaalsContact CA-O 3.28Å; T432-Y506 WeakPolarHBondContact CA-O 3.47Å; T432-V507 HydrophobicContact CG2-CG1 4.49Å; T432-V507 HydrophobicContact CG2-CG2 4.25Å
433S94.9Very high96.3Very high4 Ų413.6 Ų13.63%0.0287%0.068CC..  trans-65.8161161.373.50000110.4L85 E435 L436 Y506L85-S433 WeakPolarHBondContact O-CA 3.45Å; S433-E435 WeakPolarHBondContact CB-OE2 3.45Å; S433-E435 PolarHBondContact O-N 3.36Å; S433-E435 PolarHBondContact OG-OE2 3.39Å; S433-L436 PolarHBondContact O-N 3.35Å; S433-L436 VanDerWaalsContact O-N 3.13Å; S433-Y506 PolarHBondContact N-O 3.28Å; S433-Y506 PolarHBondContact OG-N 2.68Å
434K91.9Very high96.5Very high109 Ų10913.8 Ų13.847%0.4747%0.069SC..THydrogen-bonded Turntrans-60.6-26-168.3-65.6178-175.3170.50114L436K434-L436 VanDerWaalsContact C-N 3.33Å
435E91.3Very high96.6Very high22 Ų2213.8 Ų13.810%0.1037%0.069CC..THydrogen-bonded Turntrans-81.6-12.6-174.4-51.273.9-15300112.8S433 A486 P498 W531S433-E435 WeakPolarHBondContact CB-OE2 3.45Å; S433-E435 PolarHBondContact O-N 3.36Å; S433-E435 PolarHBondContact OG-OE2 3.39Å; E435-A486 WeakPolarHBondContact O-CB 3.37Å; E435-A486 PolarHBondContact O-N 3.35Å; E435-P498 HydrophobicContact CG-CB 3.7Å; E435-P498 HydrophobicContact CG-CG 3.78Å; E435-W531 HydrophobicContact CB-CH2 4.08Å; E435-W531 HydrophobicContact CB-CZ2 3.55Å
436L95.1Very high96.7Very high0 Ų014.2 Ų14.20%07%0.068CC..EExtended strand (participates in β ladder)trans-121137.7178.8-166.174.8000109.4W24 I38 T432 S433 K434 F483 V485 V507 W531W24-L436 HydrophobicContact CE3-CD2 4.25Å; W24-L436 HydrophobicContact CH2-CD2 4.15Å; W24-L436 HydrophobicContact CZ3-CD2 3.85Å; I38-L436 HydrophobicContact CD1-CD1 4.28Å; T432-L436 VanDerWaalsContact CB-O 3.3Å; T432-L436 WeakPolarHBondContact CB-O 3.32Å; T432-L436 HydrophobicContact CG2-CD2 4.17Å; T432-L436 HydrophobicContact CG2-CG 4.47Å; T432-L436 PolarHBondContact OG1-O 3Å; S433-L436 PolarHBondContact O-N 3.35Å; S433-L436 VanDerWaalsContact O-N 3.13Å; K434-L436 VanDerWaalsContact C-N 3.33Å; L436-F483 HydrophobicContact CD1-CB 3.75Å; L436-F483 HydrophobicContact CD2-CB 4.06Å; L436-F483 HydrophobicContact CD2-CD1 3.78Å; L436-F483 HydrophobicContact CD2-CE1 4.41Å; L436-F483 HydrophobicContact CD2-CG 3.94Å; L436-F483 HydrophobicContact CG-CB 3.89Å; L436-F483 HydrophobicContact CG-CD1 4.15Å; L436-F483 HydrophobicContact CG-CG 4.26Å; L436-V485 HydrophobicContact CD1-CG2 4.48Å; L436-V507 HydrophobicContact CD2-CG2 3.65Å; L436-W531 HydrophobicContact CB-CH2 4.07Å; L436-W531 HydrophobicContact CB-CZ2 4.3Å; L436-W531 HydrophobicContact CD1-CH2 4Å
437K97.3Very high96.8Very high44 Ų4414.9 Ų14.919%0.1917%0.073CC..EExtended strand (participates in β ladder)trans-121.4158.7172.7-58.6-63.5176.2-163.60110.5S453 N454 F483 E484 A486K437-S453 PolarHBondContact NZ-O 2.72Å; K437-N454 CarbonylContact C-O 3.5Å; K437-N454 VanDerWaalsContact CA-O 3.29Å; K437-N454 WeakPolarHBondContact CA-O 3.44Å; K437-N454 WeakPolarHBondContact CB-O 3.31Å; K437-F483 CarbonylContact O-C 3.53Å; K437-F483 WeakPolarHBondContact O-CA 3.3Å; K437-F483 WeakPolarHBondContact O-CB 3.36Å; K437-E484 HydrophobicContact CB-CG 3.84Å; K437-E484 PolarHBondContact N-O 3.2Å; K437-E484 PolarHBondContact O-N 3.39Å; K437-A486 HydrophobicContact CG-CB 3.96Å
438V98.2Very high96.8Very high0 Ų012.9 Ų12.90%07%0.065CC..EExtended strand (participates in β ladder)trans-91.1114.9178.7178.90000108.7V430 T432 N454 G456 W468 F483V430-V438 HydrophobicContact CB-CG2 4.04Å; V430-V438 HydrophobicContact CG1-CG2 3.67Å; T432-V438 HydrophobicContact CG2-CG2 3.9Å; V438-N454 PolarHBondContact N-O 2.77Å; V438-G456 PolarHBondContact O-N 3.43Å; V438-W468 HydrophobicContact CG1-CH2 3.41Å; V438-W468 VanDerWaalsContact CG1-CH2 3.41Å; V438-W468 HydrophobicContact CG1-CZ2 4.25Å; V438-W468 HydrophobicContact CG1-CZ3 4.21Å; V438-F483 HydrophobicContact CG2-CD1 4.23Å; V438-F483 HydrophobicContact CG2-CE1 4.15Å
439S98Very high96.6Very high1 Ų118.8 Ų18.81%0.00710%0.097CC..EExtended strand (participates in β ladder)trans-83.8-32.8179.2-52.10000112.1Q458 V460 G463 Y482 F483 E484S439-Q458 CarbonylContact C-O 3.51Å; S439-Q458 WeakPolarHBondContact CA-O 3.21Å; S439-Q458 WeakPolarHBondContact CB-O 3.4Å; S439-Q458 VanDerWaalsContact O-O 3.06Å; S439-V460 PolarHBondContact O-N 3.1Å; S439-V460 VanDerWaalsContact O-N 3.09Å; S439-G463 WeakPolarHBondContact O-CA 3.34Å; S439-Y482 PolarHBondContact N-O 3.42Å; S439-F483 VanDerWaalsContact OG-C 3.23Å; S439-E484 WeakPolarHBondContact OG-CB 3.45Å; S439-E484 PolarHBondContact OG-N 3.28Å
440G98.2Very high96.4Very high0 Ų020.6 Ų20.60%011%0.108CC..EExtended strand (participates in β ladder)trans157.1-167.7171.500000113.6V460 Y482G440-V460 CarbonylContact C-O 3.55Å; G440-V460 WeakPolarHBondContact CA-O 3.47Å; G440-Y482 PolarHBondContact N-O 3.05Å; G440-Y482 PolarHBondContact O-N 3.08Å
441C98.5Very high96Very high0 Ų027.8 Ų27.80%014%0.139CC..EExtended strand (participates in β ladder)trans-134.3139.9-176.3-179.90000111.4V460 I462 W468 A480 I481C441-V460 PolarHBondContact N-O 3.1Å; C441-I462 PolarHBondContact N-O 3.27Å; C441-I462 WeakPolarHBondContact O-CB 3.34Å; C441-I462 PolarHBondContact O-N 3.19Å; C441-W468 HydrophobicContact CB-CD2 4.04Å; C441-W468 HydrophobicContact CB-CH2 3.96Å; C441-W468 HydrophobicContact CB-CZ2 3.38Å; C441-A480 CarbonylContact C-O 3.56Å; C441-A480 VanDerWaalsContact CA-O 3.25Å; C441-A480 WeakPolarHBondContact CA-O 3.32Å; C441-I481 HydrophobicContact CB-CG1 4.49Å
442I98.5Very high95.7Very high4 Ų428.4 Ų28.42%0.02114%0.144CC..EExtended strand (participates in β ladder)trans-119.4122.2167.4-59.7173.8000108.2V460 A480 Y482 R556 M557 F560I442-V460 HydrophobicContact CD1-CG1 4.31Å; I442-A480 HydrophobicContact CB-CB 4.35Å; I442-A480 PolarHBondContact N-O 2.98Å; I442-A480 WeakPolarHBondContact O-CB 3.32Å; I442-A480 PolarHBondContact O-N 3.14Å; I442-Y482 HydrophobicContact CB-CE2 4.02Å; I442-Y482 HydrophobicContact CD1-CE2 3.67Å; I442-Y482 HydrophobicContact CG1-CE2 3.73Å; I442-R556 HydrophobicContact CB-CB 4.43Å; I442-R556 HydrophobicContact CG2-CB 3.93Å; I442-M557 HydrophobicContact CD1-CG 4.01Å; I442-F560 HydrophobicContact CD1-CB 3.9Å; I442-F560 HydrophobicContact CD1-CG 4.18Å; I442-F560 HydrophobicContact CG1-CD2 4.44Å; I442-F560 HydrophobicContact CG1-CG 4.5Å
443G97.6Very high95.5Very high12 Ų1232.4 Ų32.412%0.12417%0.172CC..SBendtrans152.8-179.4-178.500000111.4C445 N636G443-C445 VanDerWaalsContact C-N 3.31Å; G443-C445 PolarHBondContact O-N 2.96Å; G443-N636 WeakPolarHBondContact CA-O 3.22Å
444P96.8Very high95.4Very high4 Ų432.9 Ų32.93%0.02617%0.174CC..SBendtrans-69.282.3-17927.4-36000112.1N387 T477 L479 N636 K637N387-P444 CarbonylContact O-C 3.49Å; N387-P444 VanDerWaalsContact O-CA 3.24Å; N387-P444 WeakPolarHBondContact O-CA 3.44Å; P444-T477 HydrophobicContact CG-CG2 3.69Å; P444-L479 HydrophobicContact CG-CD2 4.18Å; P444-N636 WeakPolarHBondContact CD-O 3.36Å; P444-K637 HydrophobicContact CG-CB 4.14Å; P444-K637 HydrophobicContact CG-CD 4.49Å; P444-K637 HydrophobicContact CG-CG 4.09Å
445C97.6Very high95.6Very high0 Ų028.9 Ų28.90%016%0.159CC..  trans-153.9166.7-178.267.70000111.1N387 G443 I462 W468 L470 L479N387-C445 PolarHBondContact O-N 3.47Å; G443-C445 VanDerWaalsContact C-N 3.31Å; G443-C445 PolarHBondContact O-N 2.96Å; C445-I462 VanDerWaalsContact O-CD1 3.28Å; C445-I462 WeakPolarHBondContact O-CD1 3.36Å; C445-W468 HydrophobicContact CB-CB 4.12Å; C445-L470 HydrophobicContact CB-CD2 3.67Å; C445-L479 HydrophobicContact CB-CD2 4.34Å
446F97.6Very high95.8Very high25 Ų2528.5 Ų28.511%0.1116%0.161CC..EExtended strand (participates in β ladder)trans-130.4135.5179.5-177.1-108.3000111N358 A361 Y388 A448 W468 R469N358-F446 WeakPolarHBondContact OD1-CE2 3.3Å; A361-F446 HydrophobicContact CB-CB 3.76Å; A361-F446 HydrophobicContact CB-CD1 3.7Å; A361-F446 HydrophobicContact CB-CD2 4.04Å; A361-F446 HydrophobicContact CB-CE1 4.29Å; A361-F446 HydrophobicContact CB-CG 3.55Å; Y388-F446 AromaticContact CD2-CD2 3.75Å; Y388-F446 HydrophobicContact CD2-CD2 3.75Å; Y388-F446 AromaticContact CD2-CE2 3.92Å; Y388-F446 HydrophobicContact CD2-CE2 3.92Å; Y388-F446 HydrophobicContact CE2-CD2 4.31Å; Y388-F446 HydrophobicContact CE2-CE2 4.2Å; Y388-F446 AromaticContact CG-CD2 4Å; Y388-F446 HydrophobicContact CG-CD2 4Å; Y388-F446 WeakPolarHBondContact O-CB 3.1Å; F446-A448 PolarHBondContact O-N 3.4Å; F446-W468 CarbonylContact O-C 3.4Å; F446-W468 VanDerWaalsContact O-CA 3.29Å; F446-W468 WeakPolarHBondContact O-CA 3.27Å; F446-R469 HydrophobicContact CB-CB 4.32Å; F446-R469 PolarHBondContact N-O 2.66Å; F446-R469 PolarHBondContact O-N 2.96Å
447S97Very high95.6Very high14 Ų1436.4 Ų36.410%0.09820%0.198CC..EExtended strand (participates in β ladder)trans-60.5128.6179.7179.30000110.8N449S447-N449 PolarHBondContact O-N 3.21Å; S447-N449 PolarHBondContact OG-N 3Å; S447-N449 PolarHBondContact OG-OD1 3.44Å
448A94.6Very high95.4Very high11 Ų1139.1 Ų39.19%0.09121%0.211CC..  trans-78.6-5.4167.700000112.4F446 V450 V467 R469F446-A448 PolarHBondContact O-N 3.4Å; A448-V450 HydrophobicContact CB-CG2 4.1Å; A448-V450 PolarHBondContact O-N 3.25Å; A448-V467 HydrophobicContact CB-CB 3.96Å; A448-V467 HydrophobicContact CB-CG1 3.75Å; A448-V467 VanDerWaalsContact CB-O 3.3Å; A448-V467 WeakPolarHBondContact CB-O 3.41Å; A448-V467 PolarHBondContact N-O 3.03Å; A448-R469 HydrophobicContact CB-CG 4.43Å
449N93.3Very high95.3Very high125 Ų12543.6 Ų43.667%0.66823%0.232SC*.  trans54.337.1-175.5-65.1-37.9000113.1S447S447-N449 PolarHBondContact O-N 3.21Å; S447-N449 PolarHBondContact OG-N 3Å; S447-N449 PolarHBondContact OG-OD1 3.44Å
450V93.5Very high95.2Very high46 Ų4644.3 Ų44.328%0.27924%0.236SC..  trans-107.7107.3177.9-1780000109.3A448 T452 T465 S466 V467A448-V450 HydrophobicContact CB-CG2 4.1Å; A448-V450 PolarHBondContact O-N 3.25Å; V450-T452 HydrophobicContact CG1-CG2 4.14Å; V450-T465 PolarHBondContact N-OG1 2.89Å; V450-T465 PolarHBondContact O-OG1 3.47Å; V450-T465 VanDerWaalsContact O-OG1 3.12Å; V450-S466 PolarHBondContact O-N 3.44Å; V450-V467 HydrophobicContact CB-CB 4Å; V450-V467 HydrophobicContact CB-CG2 3.83Å; V450-V467 HydrophobicContact CG1-CG2 3.99Å; V450-V467 HydrophobicContact CG2-CB 4.49Å
451K90.1Very high95.2Very high151 Ų15144.8 Ų44.866%0.65724%0.242SC*.  trans-81126.4169.5-67.7-174.8178.9-172.60109.4T455 R464K451-T455 HydrophobicContact CG-CG2 4.45Å; K451-R464 VanDerWaalsContact CG-O 3.27Å; K451-R464 WeakPolarHBondContact CG-O 3.36Å
452T92.4Very high95.1Very high22 Ų2246.7 Ų46.714%0.13525%0.252CS..  trans-114.8178.4173.473.20000109.8V450 N454 T455 S466 V467V450-T452 HydrophobicContact CG1-CG2 4.14Å; T452-N454 PolarHBondContact O-N 3.1Å; T452-N454 VanDerWaalsContact O-N 3.07Å; T452-N454 PolarHBondContact OG1-N 2.86Å; T452-N454 VanDerWaalsContact OG1-N 3.1Å; T452-T455 PolarHBondContact N-OG1 3.35Å; T452-T455 PolarHBondContact O-N 3.09Å; T452-T455 PolarHBondContact O-OG1 3.46Å; T452-S466 VanDerWaalsContact CG2-OG 3.23Å; T452-S466 WeakPolarHBondContact CG2-OG 3.1Å; T452-S466 PolarHBondContact OG1-OG 2.66Å; T452-V467 HydrophobicContact CG2-CG2 4.34Å
453S92.6Very high95Very high86 Ų8646.8 Ų46.860%0.60125%0.254SS*.THydrogen-bonded Turntrans-60.5-14.1170.759.30000113.6K437K437-S453 PolarHBondContact NZ-O 2.72Å
454N93.7Very high94.9Very high14 Ų1453.6 Ų53.68%0.07528%0.275CS..THydrogen-bonded Turntrans-98.2-7.3-177.2-55.1-32.9000112.6K431 T432 K437 V438 T452 G456K431-N454 WeakPolarHBondContact CA-ND2 3.38Å; T432-N454 WeakPolarHBondContact OG1-CB 3.3Å; K437-N454 CarbonylContact C-O 3.5Å; K437-N454 VanDerWaalsContact CA-O 3.29Å; K437-N454 WeakPolarHBondContact CA-O 3.44Å; K437-N454 WeakPolarHBondContact CB-O 3.31Å; V438-N454 PolarHBondContact N-O 2.77Å; T452-N454 PolarHBondContact O-N 3.1Å; T452-N454 VanDerWaalsContact O-N 3.07Å; T452-N454 PolarHBondContact OG1-N 2.86Å; T452-N454 VanDerWaalsContact OG1-N 3.1Å; N454-G456 PolarHBondContact O-N 3.16Å
455T96.5Very high94.9Very high25 Ų2553.4 Ų53.415%0.15327%0.274CS..BIsolated β-bridgetrans-72.2127.8178.1-53.10000110.3K451 T452 S466K451-T455 HydrophobicContact CG-CG2 4.45Å; T452-T455 PolarHBondContact N-OG1 3.35Å; T452-T455 PolarHBondContact O-N 3.09Å; T452-T455 PolarHBondContact O-OG1 3.46Å; T455-S466 PolarHBondContact OG1-N 2.98Å
456G94.1Very high94.9Very high14 Ų1453.4 Ų53.414%0.14427%0.274CS..  trans-80.2169.717800000113.7V438 N454 E484V438-G456 PolarHBondContact O-N 3.43Å; N454-G456 PolarHBondContact O-N 3.16Å; G456-E484 VanDerWaalsContact C-OE1 3.28Å; G456-E484 WeakPolarHBondContact CA-OE1 3.37Å
457E92.3Very high94.9Very high167 Ų16752.4 Ų52.478%0.7827%0.27SS*.SBendtrans-84.1-37.3171.8-64.9-178.8166.700111.4E459 E484E457-E459 PolarHBondContact O-N 3.36Å; E457-E484 PolarHBondContact N-OE1 2.77Å
458Q93.4Very high94.9Very high100 Ų10051.7 Ų51.747%0.46727%0.265SS..SBendtrans-71.1124.1176.5-174.7179.221.300110.2S439 V460 E484S439-Q458 CarbonylContact C-O 3.51Å; S439-Q458 WeakPolarHBondContact CA-O 3.21Å; S439-Q458 WeakPolarHBondContact CB-O 3.4Å; S439-Q458 VanDerWaalsContact O-O 3.06Å; Q458-V460 HydrophobicContact CG-CG2 4.34Å; Q458-E484 WeakPolarHBondContact CB-OE2 3.47Å; Q458-E484 PolarHBondContact N-OE1 3.39Å; Q458-E484 PolarHBondContact N-OE2 3.21Å
459E95.2Very high95.1Very high94 Ų9452.7 Ų52.744%0.43927%0.267SS..  trans-96.6122.4178.4179.5166.4-15600110.7E457 R464E457-E459 PolarHBondContact O-N 3.36Å; E459-R464 HydrophobicContact CG-CG 4.48Å; E459-R464 IonicContact OE1-NE 3.93Å; E459-R464 IonicContact OE2-CZ 2.9Å; E459-R464 VanDerWaalsContact OE2-CZ 3.29Å; E459-R464 IonicContact OE2-NE 3.29Å; E459-R464 PolarHBondContact OE2-NE 3.45Å; E459-R464 IonicContact OE2-NH2 3.57Å; E459-R464 PolarHBondContact OE2-NH2 3.1Å
460V96.3Very high95.2Very high16 Ų1646.8 Ų46.810%0.09724%0.235CC..  trans-128121.5173-178.30000109.3S439 G440 C441 I442 Q458 I462 Y482 M557S439-V460 PolarHBondContact O-N 3.1Å; S439-V460 VanDerWaalsContact O-N 3.09Å; G440-V460 CarbonylContact C-O 3.55Å; G440-V460 WeakPolarHBondContact CA-O 3.47Å; C441-V460 PolarHBondContact N-O 3.1Å; I442-V460 HydrophobicContact CD1-CG1 4.31Å; Q458-V460 HydrophobicContact CG-CG2 4.34Å; V460-I462 PolarHBondContact O-N 3.44Å; V460-Y482 HydrophobicContact CB-CD2 4.22Å; V460-Y482 HydrophobicContact CB-CG 4.14Å; V460-Y482 HydrophobicContact CG1-CD1 4.05Å; V460-Y482 HydrophobicContact CG1-CD2 3.52Å; V460-Y482 HydrophobicContact CG1-CE1 4.42Å; V460-Y482 HydrophobicContact CG1-CE2 3.96Å; V460-Y482 HydrophobicContact CG1-CG 3.58Å; V460-M557 HydrophobicContact CG1-CE 4.28Å; V460-M557 HydrophobicContact CG1-CG 4.29Å
461G97Very high95.4Very high11 Ų1144.6 Ų44.611%0.11322%0.222CC..SBendtrans63.6-133.2-176.600000111.8G463G461-G463 VanDerWaalsContact C-N 3.3Å; G461-G463 PolarHBondContact O-N 3.46Å
462I96.7Very high95.7Very high40 Ų4037.5 Ų37.521%0.20519%0.192CC..EExtended strand (participates in β ladder)trans-78.881.6172.7-53.4170.5000108.1C441 C445 V460 W468C441-I462 PolarHBondContact N-O 3.27Å; C441-I462 WeakPolarHBondContact O-CB 3.34Å; C441-I462 PolarHBondContact O-N 3.19Å; C445-I462 VanDerWaalsContact O-CD1 3.28Å; C445-I462 WeakPolarHBondContact O-CD1 3.36Å; V460-I462 PolarHBondContact O-N 3.44Å; I462-W468 PolarHBondContact O-NE1 3.36Å
463G96.4Very high95.9Very high6 Ų636.7 Ų36.76%0.06219%0.186CC..EExtended strand (participates in β ladder)trans-100-157.4-17800000114.3S439 G461 T465S439-G463 WeakPolarHBondContact O-CA 3.34Å; G461-G463 VanDerWaalsContact C-N 3.3Å; G461-G463 PolarHBondContact O-N 3.46Å; G463-T465 PolarHBondContact O-N 2.89Å
464R95.7Very high96Very high154 Ų15433.3 Ų33.358%0.58116%0.162SC*.SBendtrans55.219.2-175.4-55.7-177.5-175.3-1640.4114.9K451 E459K451-R464 VanDerWaalsContact CG-O 3.27Å; K451-R464 WeakPolarHBondContact CG-O 3.36Å; E459-R464 HydrophobicContact CG-CG 4.48Å; E459-R464 IonicContact OE1-NE 3.93Å; E459-R464 IonicContact OE2-CZ 2.9Å; E459-R464 VanDerWaalsContact OE2-CZ 3.29Å; E459-R464 IonicContact OE2-NE 3.29Å; E459-R464 PolarHBondContact OE2-NE 3.45Å; E459-R464 IonicContact OE2-NH2 3.57Å; E459-R464 PolarHBondContact OE2-NH2 3.1Å
465T96.9Very high95.9Very high0 Ų034 Ų340%017%0.167CC..  trans-147.2155.6177.8-171.10000108V450 G463 V467 W468V450-T465 PolarHBondContact N-OG1 2.89Å; V450-T465 PolarHBondContact O-OG1 3.47Å; V450-T465 VanDerWaalsContact O-OG1 3.12Å; G463-T465 PolarHBondContact O-N 2.89Å; T465-V467 WeakPolarHBondContact CG2-O 3.46Å; T465-V467 PolarHBondContact OG1-N 3.21Å; T465-V467 VanDerWaalsContact OG1-N 3.09Å; T465-V467 PolarHBondContact OG1-O 3Å; T465-W468 HydrophobicContact CG2-CD2 4.22Å; T465-W468 HydrophobicContact CG2-CG 4.45Å; T465-W468 HydrophobicContact CG2-CZ2 4Å
466S96.8Very high95.7Very high0 Ų034.1 Ų34.10%017%0.169CC..SBendtrans-11614.9163.168.60000111.4E429 V430 V450 T452 T455E429-S466 WeakPolarHBondContact CA-O 3.48Å; V430-S466 PolarHBondContact N-O 3.47Å; V450-S466 PolarHBondContact O-N 3.44Å; T452-S466 VanDerWaalsContact CG2-OG 3.23Å; T452-S466 WeakPolarHBondContact CG2-OG 3.1Å; T452-S466 PolarHBondContact OG1-OG 2.66Å; T455-S466 PolarHBondContact OG1-N 2.98Å
467V98.1Very high95.8Very high4 Ų433.5 Ų33.52%0.02416%0.162CC..EExtended strand (participates in β ladder)trans-133.6127.3-177.9-170.10000109.3V231 Q427 M428 E429 A448 V450 T452 T465V231-V467 HydrophobicContact CG2-CG1 4.28Å; Q427-V467 HydrophobicContact CG-CG1 3.67Å; M428-V467 CarbonylContact O-C 3.55Å; M428-V467 VanDerWaalsContact O-CA 3.25Å; M428-V467 WeakPolarHBondContact O-CA 3.28Å; E429-V467 HydrophobicContact CB-CG2 4.02Å; E429-V467 HydrophobicContact CG-CG2 4.01Å; A448-V467 HydrophobicContact CB-CB 3.96Å; A448-V467 HydrophobicContact CB-CG1 3.75Å; A448-V467 VanDerWaalsContact CB-O 3.3Å; A448-V467 WeakPolarHBondContact CB-O 3.41Å; A448-V467 PolarHBondContact N-O 3.03Å; V450-V467 HydrophobicContact CB-CB 4Å; V450-V467 HydrophobicContact CB-CG2 3.83Å; V450-V467 HydrophobicContact CG1-CG2 3.99Å; V450-V467 HydrophobicContact CG2-CB 4.49Å; T452-V467 HydrophobicContact CG2-CG2 4.34Å; T465-V467 WeakPolarHBondContact CG2-O 3.46Å; T465-V467 PolarHBondContact OG1-N 3.21Å; T465-V467 VanDerWaalsContact OG1-N 3.09Å; T465-V467 PolarHBondContact OG1-O 3Å
468W98.2Very high96.1Very high0 Ų025.5 Ų25.50%013%0.125CC..EExtended strand (participates in β ladder)trans-127.1144.2178.4-61.3-93.4000110.9Q427 M428 V430 V438 C441 C445 F446 I462 T465Q427-W468 CarbonylContact C-O 3.55Å; Q427-W468 WeakPolarHBondContact CA-O 3.36Å; Q427-W468 WeakPolarHBondContact CG-O 3.26Å; M428-W468 HydrophobicContact CE-CE3 3.79Å; M428-W468 HydrophobicContact CE-CZ3 4.2Å; M428-W468 PolarHBondContact N-O 3.17Å; M428-W468 PolarHBondContact O-N 3.3Å; V430-W468 HydrophobicContact CB-CZ3 4.18Å; V430-W468 HydrophobicContact CG2-CE3 4.41Å; V430-W468 HydrophobicContact CG2-CZ3 3.65Å; V438-W468 HydrophobicContact CG1-CH2 3.41Å; V438-W468 VanDerWaalsContact CG1-CH2 3.41Å; V438-W468 HydrophobicContact CG1-CZ2 4.25Å; V438-W468 HydrophobicContact CG1-CZ3 4.21Å; C441-W468 HydrophobicContact CB-CD2 4.04Å; C441-W468 HydrophobicContact CB-CH2 3.96Å; C441-W468 HydrophobicContact CB-CZ2 3.38Å; C445-W468 HydrophobicContact CB-CB 4.12Å; F446-W468 CarbonylContact O-C 3.4Å; F446-W468 VanDerWaalsContact O-CA 3.29Å; F446-W468 WeakPolarHBondContact O-CA 3.27Å; I462-W468 PolarHBondContact O-NE1 3.36Å; T465-W468 HydrophobicContact CG2-CD2 4.22Å; T465-W468 HydrophobicContact CG2-CG 4.45Å; T465-W468 HydrophobicContact CG2-CZ2 4Å
469R97.5Very high96.3Very high31 Ų3120.8 Ų20.812%0.11710%0.103CC..EExtended strand (participates in β ladder)trans-81.7140.5166.3-62.3-172.6179.5102.10.5109.5A361 Q362 L364 F446 A448A361-R469 WeakPolarHBondContact O-CD 3.49Å; Q362-R469 VanDerWaalsContact NE2-NH2 3.18Å; Q362-R469 VanDerWaalsContact OE1-CZ 3.26Å; L364-R469 HydrophobicContact CD2-CB 4Å; L364-R469 HydrophobicContact CD2-CG 4Å; F446-R469 HydrophobicContact CB-CB 4.32Å; F446-R469 PolarHBondContact N-O 2.66Å; F446-R469 PolarHBondContact O-N 2.96Å; A448-R469 HydrophobicContact CB-CG 4.43Å
470L96.7Very high96.5Very high1 Ų116.3 Ų16.31%0.0058%0.082CC..EExtended strand (participates in β ladder)trans-130.678.3-176-56.8175.1000107.4L44 G426 M428 C445 G472 F473 L479 T511L44-L470 HydrophobicContact CD1-CD1 3.72Å; L44-L470 HydrophobicContact CD1-CD2 4.09Å; L44-L470 HydrophobicContact CD1-CG 4.39Å; L44-L470 HydrophobicContact CD2-CD1 3.59Å; L44-L470 HydrophobicContact CG-CD1 4.27Å; G426-L470 WeakPolarHBondContact CA-O 3.39Å; G426-L470 PolarHBondContact N-O 3.06Å; G426-L470 PolarHBondContact O-N 3.35Å; M428-L470 HydrophobicContact CB-CD1 3.5Å; M428-L470 VanDerWaalsContact CB-CD1 3.5Å; M428-L470 HydrophobicContact CB-CG 4.31Å; C445-L470 HydrophobicContact CB-CD2 3.67Å; L470-G472 PolarHBondContact O-N 3.35Å; L470-F473 HydrophobicContact CB-CD1 3.78Å; L470-F473 HydrophobicContact CB-CE1 3.9Å; L470-F473 WeakPolarHBondContact O-CE1 3.46Å; L470-L479 HydrophobicContact CD2-CD1 3.71Å; L470-T511 HydrophobicContact CD1-CG2 4Å
471N97.1Very high96.6Very high1 Ų115.5 Ų15.51%0.0058%0.077CC..EExtended strand (participates in β ladder)trans-69.4-39.9-166.5-42.2-21.5000111.8A361 H365 V366 T389 L424 A425A361-N471 WeakPolarHBondContact CA-ND2 3.49Å; A361-N471 VanDerWaalsContact CB-ND2 3.28Å; A361-N471 WeakPolarHBondContact CB-ND2 3.29Å; H365-N471 VanDerWaalsContact O-CB 3.32Å; H365-N471 WeakPolarHBondContact O-CB 3.3Å; H365-N471 PolarHBondContact O-ND2 2.99Å; V366-N471 VanDerWaalsContact CG2-C 3.44Å; V366-N471 HydrophobicContact CG2-CB 4.09Å; V366-N471 VanDerWaalsContact CG2-O 3.32Å; V366-N471 WeakPolarHBondContact CG2-O 3.18Å; T389-N471 VanDerWaalsContact CA-ND2 3.26Å; T389-N471 WeakPolarHBondContact CA-ND2 3.05Å; T389-N471 WeakPolarHBondContact CB-ND2 3.34Å; T389-N471 WeakPolarHBondContact CG2-ND2 3.47Å; T389-N471 WeakPolarHBondContact O-CB 3.48Å; L424-N471 CarbonylContact C-O 3.56Å; L424-N471 VanDerWaalsContact CA-O 3.27Å; L424-N471 WeakPolarHBondContact CA-O 3.37Å; A425-N471 PolarHBondContact N-O 3.34Å
472G96.5Very high96.7Very high2 Ų215 Ų152%0.0217%0.072CC..EExtended strand (participates in β ladder)trans-139.9133.817500000110.3V366 T389 G390 G423 L470V366-G472 VanDerWaalsContact CG2-CA 3.46Å; T389-G472 PolarHBondContact O-N 3.21Å; G390-G472 CarbonylContact C-O 3.45Å; G390-G472 WeakPolarHBondContact CA-O 3.05Å; G423-G472 WeakPolarHBondContact O-CA 3.26Å; L470-G472 PolarHBondContact O-N 3.35Å
473F96.4Very high96.8Very high4 Ų413.2 Ų13.22%0.0186%0.063CC..EExtended strand (participates in β ladder)trans-153154.217653.9-87000110.9L44 F45 M422 G423 L470 T477 Y513L44-F473 HydrophobicContact CB-CD2 4.17Å; L44-F473 HydrophobicContact CB-CE2 4.43Å; L44-F473 HydrophobicContact CD1-CB 4.06Å; L44-F473 HydrophobicContact CD1-CD2 4.31Å; L44-F473 HydrophobicContact CD1-CG 4.07Å; F45-F473 HydrophobicContact CB-CD2 3.75Å; F45-F473 HydrophobicContact CB-CE2 3.81Å; F45-F473 HydrophobicContact CG-CD2 4.41Å; F45-F473 HydrophobicContact CG-CE2 4.23Å; M422-F473 CarbonylContact C-O 3.36Å; M422-F473 WeakPolarHBondContact CA-O 3.42Å; G423-F473 PolarHBondContact N-O 3.4Å; G423-F473 PolarHBondContact O-N 2.67Å; L470-F473 HydrophobicContact CB-CD1 3.78Å; L470-F473 HydrophobicContact CB-CE1 3.9Å; L470-F473 WeakPolarHBondContact O-CE1 3.46Å; F473-T477 HydrophobicContact CB-CG2 3.72Å; F473-Y513 HydrophobicContact CE2-CD2 4.2Å; F473-Y513 HydrophobicContact CE2-CG 4.34Å; F473-Y513 HydrophobicContact CZ-CD1 4.25Å; F473-Y513 AromaticContact CZ-CD2 3.72Å; F473-Y513 HydrophobicContact CZ-CD2 3.72Å; F473-Y513 HydrophobicContact CZ-CE2 4.48Å; F473-Y513 AromaticContact CZ-CG 3.59Å; F473-Y513 HydrophobicContact CZ-CG 3.59Å
474T94.1Very high96.7Very high16 Ų1613.6 Ų13.610%0.0986%0.063CC..  trans-114170.4-178.257.60000110.4S476 T477T474-S476 PolarHBondContact O-N 3.1Å; T474-S476 VanDerWaalsContact O-N 3.15Å; T474-S476 PolarHBondContact OG1-OG 3.33Å; T474-S476 VanDerWaalsContact OG1-OG 3.09Å; T474-T477 PolarHBondContact N-OG1 2.88Å; T474-T477 WeakPolarHBondContact O-CB 3.44Å; T474-T477 PolarHBondContact O-N 2.84Å; T474-T477 PolarHBondContact O-OG1 3.36Å; T474-T477 PolarHBondContact OG1-N 2.89Å; T474-T477 PolarHBondContact OG1-OG1 3.03Å
475P92.2Very high96.7Very high27 Ų276.3 Ų6.318%0.1754%0.035CC..THydrogen-bonded Turntrans-56.6-25172.5-28.335.6000115.3T43 F45 E47 L421T43-P475 WeakPolarHBondContact CG2-O 3.4Å; F45-P475 HydrophobicContact CD1-CB 4.36Å; F45-P475 HydrophobicContact CD1-CG 3.68Å; F45-P475 HydrophobicContact CE1-CG 3.9Å; F45-P475 WeakPolarHBondContact O-CA 3.32Å; E47-P475 HydrophobicContact CG-CB 4.06Å; E47-P475 HydrophobicContact CG-CG 4.07Å; E47-P475 WeakPolarHBondContact OE1-CG 3.32Å; L421-P475 HydrophobicContact CB-CG 4.15Å; L421-P475 HydrophobicContact CD2-CG 4.44Å; L421-P475 VanDerWaalsContact O-CD 3.31Å; L421-P475 WeakPolarHBondContact O-CD 3.41Å
476S91.9Very high96.4Very high28 Ų288.1 Ų8.120%0.1965%0.051CC..THydrogen-bonded Turntrans-86.2-13.7174.764.90000114T474 T478 K637 E638T474-S476 PolarHBondContact O-N 3.1Å; T474-S476 VanDerWaalsContact O-N 3.15Å; T474-S476 PolarHBondContact OG1-OG 3.33Å; T474-S476 VanDerWaalsContact OG1-OG 3.09Å; S476-T478 PolarHBondContact O-N 3.41Å; S476-T478 PolarHBondContact O-OG1 3.41Å; S476-K637 VanDerWaalsContact O-O 3.1Å; S476-E638 PolarHBondContact OG-OE1 3.36Å
477T96.8Very high95.8Very high1 Ų110.2 Ų10.21%0.0066%0.063CC..  trans-66.5111.7-174.1-60.90000110.7L44 P444 F473 T474 K637L44-T477 HydrophobicContact CD1-CG2 4.06Å; L44-T477 PolarHBondContact N-O 3.34Å; P444-T477 HydrophobicContact CG-CG2 3.69Å; F473-T477 HydrophobicContact CB-CG2 3.72Å; T474-T477 PolarHBondContact N-OG1 2.88Å; T474-T477 WeakPolarHBondContact O-CB 3.44Å; T474-T477 PolarHBondContact O-N 2.84Å; T474-T477 PolarHBondContact O-OG1 3.36Å; T474-T477 PolarHBondContact OG1-N 2.89Å; T474-T477 PolarHBondContact OG1-OG1 3.03Å; T477-K637 CarbonylContact C-O 3.6Å; T477-K637 WeakPolarHBondContact CA-O 3.47Å; T477-K637 HydrophobicContact CG2-CG 4.33Å; T477-K637 VanDerWaalsContact OG1-CE 3.22Å; T477-K637 WeakPolarHBondContact OG1-CE 3.48Å
478T98.2Very high94.7Very high0 Ų014.3 Ų14.30%09%0.093CC..EExtended strand (participates in β ladder)trans-123.4122.4-172.1-59.20000109.7L41 Y42 T43 S476 R556 K637 E638 D639L41-T478 HydrophobicContact CB-CG2 3.72Å; Y42-T478 CarbonylContact O-C 3.56Å; Y42-T478 WeakPolarHBondContact O-CA 3.48Å; T43-T478 PolarHBondContact OG1-OG1 3.04Å; S476-T478 PolarHBondContact O-N 3.41Å; S476-T478 PolarHBondContact O-OG1 3.41Å; T478-R556 PolarHBondContact O-NH1 3.3Å; T478-R556 PolarHBondContact O-NH2 3.1Å; T478-K637 PolarHBondContact N-O 2.99Å; T478-E638 WeakPolarHBondContact CB-O 3.21Å; T478-D639 WeakPolarHBondContact OG1-CA 3.33Å
479L98.6Very high93Very high0 Ų016.7 Ų16.70%011%0.112CC..EExtended strand (participates in β ladder)trans-95.7141.3179.1-60-177.6000110.9L41 Y42 L44 M428 P444 C445 L470 I481L41-L479 CarbonylContact C-O 3.53Å; L41-L479 WeakPolarHBondContact CA-O 3.45Å; Y42-L479 PolarHBondContact N-O 2.89Å; Y42-L479 PolarHBondContact O-N 3.18Å; L44-L479 HydrophobicContact CD1-CD1 4.02Å; L44-L479 HydrophobicContact CD1-CG 4.09Å; L44-L479 HydrophobicContact CD2-CD1 3.92Å; L44-L479 HydrophobicContact CD2-CG 4.46Å; L44-L479 HydrophobicContact CG-CD1 4.21Å; L44-L479 HydrophobicContact CG-CG 4.28Å; M428-L479 HydrophobicContact CE-CD1 3.59Å; M428-L479 HydrophobicContact SD-CD1 4.39Å; P444-L479 HydrophobicContact CG-CD2 4.18Å; C445-L479 HydrophobicContact CB-CD2 4.34Å; L470-L479 HydrophobicContact CD2-CD1 3.71Å; L479-I481 HydrophobicContact CB-CD1 4.38Å; L479-I481 HydrophobicContact CB-CG1 4.23Å
480A98.7Very high91Very high0 Ų019 Ų190%013%0.133CC..EExtended strand (participates in β ladder)trans-93.5113169.400000109.1C40 L41 C441 I442 Y482 L553C40-A480 CarbonylContact O-C 3.56Å; C40-A480 WeakPolarHBondContact O-CA 3.41Å; L41-A480 HydrophobicContact CD2-CB 4.1Å; C441-A480 CarbonylContact C-O 3.56Å; C441-A480 VanDerWaalsContact CA-O 3.25Å; C441-A480 WeakPolarHBondContact CA-O 3.32Å; I442-A480 HydrophobicContact CB-CB 4.35Å; I442-A480 PolarHBondContact N-O 2.98Å; I442-A480 WeakPolarHBondContact O-CB 3.32Å; I442-A480 PolarHBondContact O-N 3.14Å; A480-Y482 HydrophobicContact CB-CE2 3.8Å; A480-Y482 WeakPolarHBondContact O-CE2 3.45Å; A480-L553 HydrophobicContact CB-CD2 3.65Å
481I98.8Very high88.5Confident0 Ų025.2 Ų25.20%018%0.177CC..EExtended strand (participates in β ladder)trans-113.6127.9-176.3-57.9164.4000107.7G39 C40 Y42 M428 V430 C441 L479 F483 F509G39-I481 CarbonylContact C-O 3.15Å; G39-I481 WeakPolarHBondContact CA-O 3.33Å; C40-I481 PolarHBondContact N-O 2.86Å; C40-I481 PolarHBondContact O-N 3.37Å; Y42-I481 HydrophobicContact CD1-CD1 4.24Å; M428-I481 HydrophobicContact CE-CD1 3.73Å; M428-I481 HydrophobicContact SD-CD1 4.26Å; V430-I481 HydrophobicContact CG2-CD1 4.25Å; C441-I481 HydrophobicContact CB-CG1 4.49Å; L479-I481 HydrophobicContact CB-CD1 4.38Å; L479-I481 HydrophobicContact CB-CG1 4.23Å; I481-F483 HydrophobicContact CB-CE2 4.37Å; I481-F483 HydrophobicContact CB-CZ 4.26Å; I481-F483 HydrophobicContact CG2-CE1 4.01Å; I481-F483 HydrophobicContact CG2-CE2 4.01Å; I481-F483 HydrophobicContact CG2-CZ 3.56Å; I481-F483 WeakPolarHBondContact O-CE2 3.48Å; I481-F509 HydrophobicContact CD1-CD1 3.9Å; I481-F509 HydrophobicContact CD1-CE1 3.42Å; I481-F509 VanDerWaalsContact CD1-CE1 3.42Å; I481-F509 HydrophobicContact CD1-CZ 4.47Å
482Y98.7Very high86.1Confident0 Ų029.4 Ų29.40%022%0.22CC..EExtended strand (participates in β ladder)trans-110.8145.1-174.1-58.1-92.3000110.1P37 S439 G440 I442 V460 A480 L553 M557P37-Y482 HydrophobicContact CB-CD1 4.41Å; P37-Y482 HydrophobicContact CG-CD1 3.86Å; P37-Y482 HydrophobicContact CG-CE1 4.19Å; S439-Y482 PolarHBondContact N-O 3.42Å; G440-Y482 PolarHBondContact N-O 3.05Å; G440-Y482 PolarHBondContact O-N 3.08Å; I442-Y482 HydrophobicContact CB-CE2 4.02Å; I442-Y482 HydrophobicContact CD1-CE2 3.67Å; I442-Y482 HydrophobicContact CG1-CE2 3.73Å; V460-Y482 HydrophobicContact CB-CD2 4.22Å; V460-Y482 HydrophobicContact CB-CG 4.14Å; V460-Y482 HydrophobicContact CG1-CD1 4.05Å; V460-Y482 HydrophobicContact CG1-CD2 3.52Å; V460-Y482 HydrophobicContact CG1-CE1 4.42Å; V460-Y482 HydrophobicContact CG1-CE2 3.96Å; V460-Y482 HydrophobicContact CG1-CG 3.58Å; A480-Y482 HydrophobicContact CB-CE2 3.8Å; A480-Y482 WeakPolarHBondContact O-CE2 3.45Å; Y482-L553 HydrophobicContact CE1-CB 4.11Å; Y482-L553 HydrophobicContact CE1-CD2 3.86Å; Y482-L553 PolarHBondContact OH-O 3.1Å; Y482-M557 HydrophobicContact CD1-SD 4.05Å; Y482-M557 HydrophobicContact CE1-CG 3.63Å; Y482-M557 HydrophobicContact CE1-SD 3.49Å; Y482-M557 WeakPolarHBondContact CE1-SD 3.45Å; Y482-M557 HydrophobicContact CE2-CG 4.49Å; Y482-M557 WeakPolarHBondContact OH-CG 3.4Å
483F98.3Very high83.6Confident3 Ų331.3 Ų31.31%0.01324%0.24CC..EExtended strand (participates in β ladder)trans-129.2155-175.5-53.4-86.7000111F19 I38 V430 T432 L436 K437 V438 S439 I481 V507 F509F19-F483 HydrophobicContact CE1-CD2 4.42Å; F19-F483 AromaticContact CE1-CE2 3.94Å; F19-F483 HydrophobicContact CE1-CE2 3.94Å; I38-F483 HydrophobicContact CB-CB 4.33Å; I38-F483 HydrophobicContact CG2-CB 4.19Å; I38-F483 HydrophobicContact CG2-CD2 4.24Å; I38-F483 PolarHBondContact O-N 3.24Å; V430-F483 HydrophobicContact CG1-CE1 3.88Å; V430-F483 HydrophobicContact CG1-CZ 4.36Å; T432-F483 HydrophobicContact CG2-CD1 4.16Å; T432-F483 HydrophobicContact CG2-CE1 4.06Å; L436-F483 HydrophobicContact CD1-CB 3.75Å; L436-F483 HydrophobicContact CD2-CB 4.06Å; L436-F483 HydrophobicContact CD2-CD1 3.78Å; L436-F483 HydrophobicContact CD2-CE1 4.41Å; L436-F483 HydrophobicContact CD2-CG 3.94Å; L436-F483 HydrophobicContact CG-CB 3.89Å; L436-F483 HydrophobicContact CG-CD1 4.15Å; L436-F483 HydrophobicContact CG-CG 4.26Å; K437-F483 CarbonylContact O-C 3.53Å; K437-F483 WeakPolarHBondContact O-CA 3.3Å; K437-F483 WeakPolarHBondContact O-CB 3.36Å; V438-F483 HydrophobicContact CG2-CD1 4.23Å; V438-F483 HydrophobicContact CG2-CE1 4.15Å; S439-F483 VanDerWaalsContact OG-C 3.23Å; I481-F483 HydrophobicContact CB-CE2 4.37Å; I481-F483 HydrophobicContact CB-CZ 4.26Å; I481-F483 HydrophobicContact CG2-CE1 4.01Å; I481-F483 HydrophobicContact CG2-CE2 4.01Å; I481-F483 HydrophobicContact CG2-CZ 3.56Å; I481-F483 WeakPolarHBondContact O-CE2 3.48Å; F483-V507 HydrophobicContact CE1-CG1 3.97Å; F483-V507 HydrophobicContact CE1-CG2 4.06Å; F483-V507 HydrophobicContact CZ-CG1 3.91Å; F483-V507 HydrophobicContact CZ-CG2 4.16Å; F483-F509 HydrophobicContact CZ-CZ 4.29Å
484E95.6Very high81.6Confident13 Ų1334.6 Ų34.66%0.06127%0.274CS..EExtended strand (participates in β ladder)trans-125.7146.8169.865.9174.1174.300110.4R28 K437 S439 G456 E457 Q458R28-E484 IonicContact NH2-OE2 3.22Å; K437-E484 HydrophobicContact CB-CG 3.84Å; K437-E484 PolarHBondContact N-O 3.2Å; K437-E484 PolarHBondContact O-N 3.39Å; S439-E484 WeakPolarHBondContact OG-CB 3.45Å; S439-E484 PolarHBondContact OG-N 3.28Å; G456-E484 VanDerWaalsContact C-OE1 3.28Å; G456-E484 WeakPolarHBondContact CA-OE1 3.37Å; E457-E484 PolarHBondContact N-OE1 2.77Å; Q458-E484 WeakPolarHBondContact CB-OE2 3.47Å; Q458-E484 PolarHBondContact N-OE1 3.39Å; Q458-E484 PolarHBondContact N-OE2 3.21Å
485V94.6Very high79.6Confident1 Ų135.9 Ų35.91%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-79.4122.2174.6-179.60000109P25 I38 L436 W531P25-V485 HydrophobicContact CG-CG2 4.4Å; P25-V485 WeakPolarHBondContact O-CG2 3.47Å; I38-V485 HydrophobicContact CD1-CG2 3.53Å; L436-V485 HydrophobicContact CD1-CG2 4.48Å; V485-W531 HydrophobicContact CG1-CZ3 4.34Å; V485-W531 HydrophobicContact CG2-CZ3 4.09Å
486A90.3Very high77.9Confident39 Ų3942.2 Ų42.232%0.32231%0.309SS..  trans-79.4-28.3-179.100000112.7E435 K437 S488E435-A486 WeakPolarHBondContact O-CB 3.37Å; E435-A486 PolarHBondContact O-N 3.35Å; K437-A486 HydrophobicContact CG-CB 3.96Å; A486-S488 PolarHBondContact O-N 2.89Å
487T85.4Confident76.4Confident43 Ų4346 Ų4626%0.26433%0.326SS..PPolyproline II helixtrans-69.2119.4-175.6-52.50000110.1I26 S27 R28I26-T487 VanDerWaalsContact O-CB 3.31Å; I26-T487 WeakPolarHBondContact O-CB 3.44Å; S27-T487 WeakPolarHBondContact CA-O 3.43Å; R28-T487 PolarHBondContact N-O 3.32Å
488S74.2Confident74.6Confident91 Ų9146.5 Ų46.564%0.63633%0.329SS*.PPolyproline II helixtrans-84.3139.9172.6-63.30000109.7A486 S490A486-S488 PolarHBondContact O-N 2.89Å; S488-S490 PolarHBondContact O-N 3.39Å
489A63Low72.5Confident49 Ų4952 Ų5241%0.40537%0.365SS..PPolyproline II helixtrans-64.4124.9173.300000109.4S491A489-S491 PolarHBondContact O-N 2.82Å
490S54.3Low70.5Confident81 Ų8154.5 Ų54.557%0.56639%0.391SS*.PPolyproline II helixtrans-69.5119.6168.747.90000108.9S488 G492S488-S490 PolarHBondContact O-N 3.39Å; S490-G492 PolarHBondContact O-N 2.81Å
491S44.9Very low68.7Low131 Ų13154.8 Ų54.892%0.91639%0.393SS*.THydrogen-bonded Turntrans-59.596.7175.851.70000110.8A489A489-S491 PolarHBondContact O-N 2.82Å
492G47.3Very low67.4Low88 Ų8861.5 Ų61.591%0.90743%0.429SS*.THydrogen-bonded Turntrans114.66.5165.500000118.3S490S490-G492 PolarHBondContact O-N 2.81Å
493G42.8Very low66.7Low43 Ų4362 Ų6244%0.44343%0.434SS..SBendtrans-134.6134.8173.300000110.4V495G493-V495 PolarHBondContact O-N 3.04Å
494G54.1Low66.4Low72 Ų7266.8 Ų66.874%0.74245%0.452SS*.  trans-44.8134178.200000110.9Q496G494-Q496 PolarHBondContact O-N 3.06Å
495V52.8Low66.3Low43 Ų4366.1 Ų66.126%0.26145%0.449SS..  trans-64.2109.3-170.5-172.20000108.6I26 G493 I497I26-V495 HydrophobicContact CB-CG1 3.92Å; I26-V495 HydrophobicContact CD1-CB 3.3Å; I26-V495 HydrophobicContact CD1-CG1 3.28Å; I26-V495 HydrophobicContact CD1-CG2 3.89Å; I26-V495 HydrophobicContact CG1-CB 4.08Å; I26-V495 HydrophobicContact CG1-CG1 3.62Å; I26-V495 HydrophobicContact CG1-CG2 4.37Å; G493-V495 PolarHBondContact O-N 3.04Å; V495-I497 PolarHBondContact O-N 3.45Å
496Q56.5Low66.5Low161 Ų16166.9 Ų66.975%0.75245%0.452SS*.  trans-70.4128.5175.2-70.6-173.2-20.100108.3G494G494-Q496 PolarHBondContact O-N 3.06Å
497I61.3Low66.8Low106 Ų10665 Ų6554%0.54444%0.436SS..  trans-44.2126.7166-66.7173.7000107.6V495 P499V495-I497 PolarHBondContact O-N 3.45Å; I497-P499 WeakPolarHBondContact O-CD 3.14Å
498P58.3Low67.4Low12 Ų1263 Ų638%0.07842%0.424CS..  trans-50.3117.6-172.9-28.133.1000111E435 G500 S501E435-P498 HydrophobicContact CG-CB 3.7Å; E435-P498 HydrophobicContact CG-CG 3.78Å; P498-G500 PolarHBondContact O-N 3.25Å; P498-S501 WeakPolarHBondContact O-CB 3.48Å; P498-S501 PolarHBondContact O-N 2.78Å; P498-S501 VanDerWaalsContact O-N 3.15Å; P498-S501 PolarHBondContact O-OG 2.8Å
499P53.7Low68.6Low116 Ų11658.7 Ų58.775%0.75339%0.394SS*.THydrogen-bonded Turntrans-59.1127-173.515.2-26.4000111.1I497I497-P499 WeakPolarHBondContact O-CD 3.14Å
500G56.8Low70.2Confident52 Ų5256.5 Ų56.554%0.53638%0.375SS..THydrogen-bonded Turntrans93.3-1.6-179.100000116.2N87 P498N87-G500 PolarHBondContact ND2-O 3.15Å; N87-G500 PolarHBondContact OD1-O 3.49Å; P498-G500 PolarHBondContact O-N 3.25Å
501S61.4Low72.3Confident7 Ų752.6 Ų52.65%0.04935%0.348CS..SBendtrans-90.7-1.5-179.266.70000115.2P498 G503 R504P498-S501 WeakPolarHBondContact O-CB 3.48Å; P498-S501 PolarHBondContact O-N 2.78Å; P498-S501 VanDerWaalsContact O-N 3.15Å; P498-S501 PolarHBondContact O-OG 2.8Å; S501-G503 PolarHBondContact O-N 2.93Å; S501-G503 PolarHBondContact OG-N 2.77Å; S501-R504 WeakPolarHBondContact CB-O 3.43Å; S501-R504 PolarHBondContact O-N 3.29Å
502N70.8Confident74.6Confident141 Ų14148.3 Ų48.375%0.75431%0.313SS*.THydrogen-bonded Turntrans47.923.6-165-70-9.7000113.3
503G85.3Confident76.9Confident10 Ų1044.2 Ų44.210%0.10327%0.271CS..THydrogen-bonded Turntrans74.218.5-174.200000115.3S501 N530 W531S501-G503 PolarHBondContact O-N 2.93Å; S501-G503 PolarHBondContact OG-N 2.77Å; G503-N530 WeakPolarHBondContact O-CA 3.36Å; G503-W531 PolarHBondContact O-N 2.82Å
504R91.5Very high79.2Confident103 Ų10342.4 Ų42.439%0.38925%0.251SS..EExtended strand (participates in β ladder)trans-123.5140-178.4-68.4-177.3-179.5177.36.8112.7S501 Y506 R529 N530 W531S501-R504 WeakPolarHBondContact CB-O 3.43Å; S501-R504 PolarHBondContact O-N 3.29Å; R504-Y506 HydrophobicContact CB-CE1 4.43Å; R504-Y506 HydrophobicContact CB-CE2 3.95Å; R504-Y506 WeakPolarHBondContact O-CE2 3.36Å; R504-R529 CarbonylContact C-O 3.59Å; R504-R529 VanDerWaalsContact CA-O 3.3Å; R504-R529 WeakPolarHBondContact CA-O 3.31Å; R504-N530 VanDerWaalsContact CG-OD1 3.29Å; R504-N530 WeakPolarHBondContact CG-OD1 3.36Å; R504-N530 PolarHBondContact NE-OD1 3.35Å; R504-W531 VanDerWaalsContact C-NE1 3.27Å; R504-W531 PolarHBondContact O-NE1 2.86Å
505G94.1Very high80.9Confident0 Ų041 Ų410%022%0.223CC..EExtended strand (participates in β ladder)trans-94.9151.6164.900000109.8W24 C528 R529 W531W24-G505 VanDerWaalsContact CZ3-C 3.44Å; G505-C528 CarbonylContact O-C 3.52Å; G505-C528 WeakPolarHBondContact O-CA 3.38Å; G505-C528 WeakPolarHBondContact O-CB 3.36Å; G505-R529 PolarHBondContact N-O 3.26Å; G505-R529 PolarHBondContact O-N 3.46Å; G505-W531 VanDerWaalsContact CA-NE1 3.29Å; G505-W531 VanDerWaalsContact N-NE1 3.11Å
506Y96.9Very high82.6Confident17 Ų1739.2 Ų39.27%0.06721%0.213CC..EExtended strand (participates in β ladder)trans-129.9141.8-176.9-61-84.7000110.8Y71 C84 T432 S433 R504 V527 C528Y71-Y506 HydrophobicContact CD1-CE1 4.34Å; Y71-Y506 HydrophobicContact CD2-CD1 4.41Å; Y71-Y506 HydrophobicContact CD2-CE1 4.48Å; Y71-Y506 HydrophobicContact CG-CD1 4.28Å; Y71-Y506 AromaticContact CG-CE1 3.9Å; Y71-Y506 HydrophobicContact CG-CE1 3.9Å; C84-Y506 HydrophobicContact CB-CD1 4.17Å; C84-Y506 HydrophobicContact CB-CD2 4.18Å; C84-Y506 HydrophobicContact CB-CE1 4.11Å; C84-Y506 HydrophobicContact CB-CE2 4.11Å; C84-Y506 HydrophobicContact CB-CG 4.22Å; C84-Y506 VanDerWaalsContact O-CD2 3.3Å; C84-Y506 WeakPolarHBondContact O-CD2 3.34Å; T432-Y506 CarbonylContact C-O 3.56Å; T432-Y506 VanDerWaalsContact CA-O 3.28Å; T432-Y506 WeakPolarHBondContact CA-O 3.47Å; S433-Y506 PolarHBondContact N-O 3.28Å; S433-Y506 PolarHBondContact OG-N 2.68Å; R504-Y506 HydrophobicContact CB-CE1 4.43Å; R504-Y506 HydrophobicContact CB-CE2 3.95Å; R504-Y506 WeakPolarHBondContact O-CE2 3.36Å; Y506-V527 WeakPolarHBondContact CA-O 3.35Å; Y506-C528 HydrophobicContact CD1-CB 3.41Å; Y506-C528 VanDerWaalsContact CD1-CB 3.41Å; Y506-C528 HydrophobicContact CE1-CB 3.43Å; Y506-C528 VanDerWaalsContact CE1-CB 3.43Å; Y506-C528 HydrophobicContact CG-CB 4.34Å
507V98.3Very high84Confident0 Ų033.8 Ų33.80%019%0.189CC..EExtended strand (participates in β ladder)trans-128132169.1-175.70000108F19 W24 V430 K431 T432 L436 F483 F509 T526 V527F19-V507 HydrophobicContact CZ-CG2 4.45Å; W24-V507 HydrophobicContact CH2-CG2 3.74Å; W24-V507 HydrophobicContact CZ2-CG2 4.47Å; W24-V507 HydrophobicContact CZ3-CG2 4.41Å; V430-V507 HydrophobicContact CG1-CG1 3.8Å; K431-V507 CarbonylContact O-C 3.5Å; K431-V507 WeakPolarHBondContact O-CA 3.42Å; T432-V507 HydrophobicContact CG2-CG1 4.49Å; T432-V507 HydrophobicContact CG2-CG2 4.25Å; L436-V507 HydrophobicContact CD2-CG2 3.65Å; F483-V507 HydrophobicContact CE1-CG1 3.97Å; F483-V507 HydrophobicContact CE1-CG2 4.06Å; F483-V507 HydrophobicContact CZ-CG1 3.91Å; F483-V507 HydrophobicContact CZ-CG2 4.16Å; V507-F509 HydrophobicContact CB-CE2 4.22Å; V507-F509 HydrophobicContact CB-CZ 4.37Å; V507-F509 HydrophobicContact CG1-CD2 4.21Å; V507-F509 HydrophobicContact CG1-CE1 3.96Å; V507-F509 HydrophobicContact CG1-CE2 3.53Å; V507-F509 HydrophobicContact CG1-CZ 3.38Å; V507-T526 WeakPolarHBondContact O-CA 3.46Å; V507-V527 HydrophobicContact CB-CG2 3.96Å; V507-V527 PolarHBondContact N-O 3.05Å; V507-V527 PolarHBondContact O-N 3.15Å
508Q98.3Very high85.2Confident0 Ų028.9 Ų28.90%016%0.164CC..EExtended strand (participates in β ladder)trans-123.2119.3174.4-179.2174.979.800109.6I67 N69 L85 K431 V510 V524 T525 T526I67-Q508 PolarHBondContact O-NE2 3.42Å; N69-Q508 PolarHBondContact ND2-NE2 3.18Å; L85-Q508 HydrophobicContact CD1-CB 4.03Å; L85-Q508 HydrophobicContact CD2-CB 4.29Å; K431-Q508 HydrophobicContact CB-CB 4.37Å; K431-Q508 PolarHBondContact N-O 3.08Å; K431-Q508 PolarHBondContact O-N 3.2Å; Q508-V510 HydrophobicContact CG-CG2 3.89Å; Q508-V524 HydrophobicContact CG-CG1 3.9Å; Q508-T525 CarbonylContact C-O 3.6Å; Q508-T525 WeakPolarHBondContact CA-O 3.36Å; Q508-T526 HydrophobicContact CB-CG2 4.19Å; Q508-T526 PolarHBondContact NE2-OG1 2.7Å
509F98.3Very high86.6Confident0 Ų031.5 Ų31.50%018%0.175CC..EExtended strand (participates in β ladder)trans-92.9121.9172-53.4-88.7000108.3I17 Y42 M428 V430 I481 F483 V507 V524 T525 V527I17-F509 HydrophobicContact CD1-CD2 3.8Å; I17-F509 HydrophobicContact CD1-CE2 3.49Å; I17-F509 VanDerWaalsContact CD1-CE2 3.49Å; I17-F509 HydrophobicContact CD1-CZ 4.39Å; Y42-F509 HydrophobicContact CD1-CB 4.2Å; Y42-F509 AromaticContact CD1-CD1 3.57Å; Y42-F509 HydrophobicContact CD1-CD1 3.57Å; Y42-F509 HydrophobicContact CD1-CE1 4.14Å; Y42-F509 AromaticContact CD1-CG 3.84Å; Y42-F509 HydrophobicContact CD1-CG 3.84Å; Y42-F509 HydrophobicContact CE1-CB 3.48Å; Y42-F509 VanDerWaalsContact CE1-CB 3.48Å; Y42-F509 AromaticContact CE1-CD1 3.77Å; Y42-F509 HydrophobicContact CE1-CD1 3.77Å; Y42-F509 HydrophobicContact CE1-CD2 4.42Å; Y42-F509 AromaticContact CE1-CG 3.63Å; Y42-F509 HydrophobicContact CE1-CG 3.63Å; Y42-F509 HydrophobicContact CE2-CD2 4.45Å; Y42-F509 HydrophobicContact CE2-CG 4.41Å; Y42-F509 HydrophobicContact CG-CD1 4.16Å; Y42-F509 HydrophobicContact CG-CE1 4.36Å; Y42-F509 HydrophobicContact CG-CG 4.32Å; Y42-F509 AromaticContact CZ-CG 3.92Å; M428-F509 HydrophobicContact SD-CD1 4.09Å; V430-F509 HydrophobicContact CG1-CD1 4.39Å; V430-F509 HydrophobicContact CG1-CE1 4.11Å; V430-F509 HydrophobicContact CG2-CD1 3.68Å; V430-F509 HydrophobicContact CG2-CE1 3.91Å; I481-F509 HydrophobicContact CD1-CD1 3.9Å; I481-F509 HydrophobicContact CD1-CE1 3.42Å; I481-F509 VanDerWaalsContact CD1-CE1 3.42Å; I481-F509 HydrophobicContact CD1-CZ 4.47Å; F483-F509 HydrophobicContact CZ-CZ 4.29Å; V507-F509 HydrophobicContact CB-CE2 4.22Å; V507-F509 HydrophobicContact CB-CZ 4.37Å; V507-F509 HydrophobicContact CG1-CD2 4.21Å; V507-F509 HydrophobicContact CG1-CE1 3.96Å; V507-F509 HydrophobicContact CG1-CE2 3.53Å; V507-F509 HydrophobicContact CG1-CZ 3.38Å; F509-V524 WeakPolarHBondContact O-CA 3.34Å; F509-T525 HydrophobicContact CD2-CG2 4.26Å; F509-T525 PolarHBondContact N-O 3.03Å; F509-T525 PolarHBondContact O-N 2.79Å; F509-V527 HydrophobicContact CE2-CG2 4.13Å
510V97.6Very high88.4Confident3 Ų330.4 Ų30.42%0.01816%0.156CC..EExtended strand (participates in β ladder)trans-117.2100.7178.7-176.70000108.1I67 M428 E429 Q508 L522I67-V510 HydrophobicContact CD1-CG1 3.8Å; I67-V510 HydrophobicContact CD1-CG2 4.14Å; M428-V510 CarbonylContact C-O 3.6Å; M428-V510 VanDerWaalsContact CA-O 3.32Å; M428-V510 WeakPolarHBondContact CA-O 3.2Å; E429-V510 PolarHBondContact N-O 3.03Å; E429-V510 PolarHBondContact O-N 2.94Å; Q508-V510 HydrophobicContact CG-CG2 3.89Å; V510-L522 HydrophobicContact CG1-CD1 3.7Å; V510-L522 HydrophobicContact CG1-CG 4.43Å
511T96.7Very high90Very high0 Ų028.9 Ų28.90%014%0.135CC..EExtended strand (participates in β ladder)trans-109.9106.7-175.4-560000109.9Q427 M428 L470 Y513 L522 R523Q427-T511 WeakPolarHBondContact O-CA 3.14Å; M428-T511 HydrophobicContact CB-CG2 4.45Å; M428-T511 WeakPolarHBondContact CG-OG1 3.19Å; L470-T511 HydrophobicContact CD1-CG2 4Å; T511-Y513 HydrophobicContact CG2-CD1 4.2Å; T511-L522 CarbonylContact O-C 3.59Å; T511-L522 WeakPolarHBondContact O-CA 3.3Å; T511-R523 PolarHBondContact N-O 2.97Å; T511-R523 PolarHBondContact O-N 3.22Å
512Q94.6Very high91.6Very high40 Ų4028.5 Ų28.519%0.18713%0.133CC..EExtended strand (participates in β ladder)trans-90.5135.7168.7-177.5175.94.800109.1I119 V231 G426 Q427 K521 L522I119-Q512 HydrophobicContact CD1-CG 4.09Å; V231-Q512 HydrophobicContact CG1-CB 3.51Å; V231-Q512 PolarHBondContact O-OE1 3.24Å; V231-Q512 VanDerWaalsContact O-OE1 3.05Å; G426-Q512 CarbonylContact C-O 3.53Å; G426-Q512 WeakPolarHBondContact CA-O 3.49Å; Q427-Q512 PolarHBondContact N-O 3.45Å; Q427-Q512 PolarHBondContact O-N 3.47Å; Q512-K521 WeakPolarHBondContact CA-O 3.43Å; Q512-L522 HydrophobicContact CB-CD1 3.84Å
513Y94.1Very high92.8Very high3 Ų322.1 Ų22.11%0.01210%0.098CC..EExtended strand (participates in β ladder)trans-158.6169.8179.769.1-79.4000112.7F45 E116 F473 T511 R515 R520 K521 R523F45-Y513 HydrophobicContact CD2-CE2 4.18Å; F45-Y513 HydrophobicContact CE2-CE2 4.05Å; F45-Y513 VanDerWaalsContact CE2-OH 3.32Å; F45-Y513 WeakPolarHBondContact CE2-OH 3.27Å; E116-Y513 PolarHBondContact OE1-OH 3.41Å; E116-Y513 PolarHBondContact OE2-OH 3.39Å; F473-Y513 HydrophobicContact CE2-CD2 4.2Å; F473-Y513 HydrophobicContact CE2-CG 4.34Å; F473-Y513 HydrophobicContact CZ-CD1 4.25Å; F473-Y513 AromaticContact CZ-CD2 3.72Å; F473-Y513 HydrophobicContact CZ-CD2 3.72Å; F473-Y513 HydrophobicContact CZ-CE2 4.48Å; F473-Y513 AromaticContact CZ-CG 3.59Å; F473-Y513 HydrophobicContact CZ-CG 3.59Å; T511-Y513 HydrophobicContact CG2-CD1 4.2Å; Y513-R515 HydrophobicContact CE2-CG 3.71Å; Y513-R520 CarbonylContact O-C 2.87Å; Y513-R520 WeakPolarHBondContact O-CA 3.4Å; Y513-K521 HydrophobicContact CD1-CB 4.07Å; Y513-K521 HydrophobicContact CE1-CB 3.57Å; Y513-K521 HydrophobicContact CE2-CB 4.18Å; Y513-K521 HydrophobicContact CE2-CG 4.39Å; Y513-K521 PolarHBondContact N-O 3.44Å; Y513-K521 PolarHBondContact O-N 3.45Å; Y513-R523 HydrophobicContact CE1-CB 4.03Å
514Q92Very high93.3Very high4 Ų421.9 Ų21.92%0.0199%0.094CC..EExtended strand (participates in β ladder)trans-102.6127.3172.7175.6-177.2-2000108.9V125 L424 Q519V125-Q514 PolarHBondContact O-NE2 2.89Å; L424-Q514 HydrophobicContact CB-CB 4.45Å; L424-Q514 PolarHBondContact N-O 3.22Å; L424-Q514 WeakPolarHBondContact O-CA 3.46Å; L424-Q514 WeakPolarHBondContact O-CB 3.43Å; L424-Q514 PolarHBondContact O-N 2.95Å; Q514-Q519 CarbonylContact C-O 3.58Å; Q514-Q519 WeakPolarHBondContact CA-O 3.29Å
515R90.1Very high93.6Very high44 Ų4417 Ų1717%0.1668%0.076CC..EExtended strand (participates in β ladder)trans-74.5158166.5-81.8-168.2174.4-129.93.2110.3E116 D415 Y513 N517 G518 Q519 K521E116-R515 IonicContact OE1-CZ 3.69Å; E116-R515 IonicContact OE1-NE 2.71Å; E116-R515 PolarHBondContact OE1-NE 2.79Å; E116-R515 IonicContact OE1-NH2 2.85Å; E116-R515 PolarHBondContact OE1-NH2 2.83Å; E116-R515 IonicContact OE2-NH2 3.29Å; D415-R515 IonicContact OD2-NH1 3.95Å; D415-R515 PolarHBondContact OD2-NH1 2.77Å; Y513-R515 HydrophobicContact CE2-CG 3.71Å; R515-N517 WeakPolarHBondContact CB-OD1 3.49Å; R515-N517 PolarHBondContact O-N 2.94Å; R515-G518 WeakPolarHBondContact O-CA 3.22Å; R515-G518 PolarHBondContact O-N 2.99Å; R515-Q519 PolarHBondContact N-O 3.35Å; R515-K521 HydrophobicContact CG-CG 3.86Å
516A87.4Confident93.8Very high5 Ų517.1 Ų17.14%0.0418%0.077CC..THydrogen-bonded Turntrans-56.4-23.7178.500000114.6P127 F420 M422 G518P127-A516 WeakPolarHBondContact CD-O 3.5Å; P127-A516 VanDerWaalsContact CG-O 3.31Å; P127-A516 WeakPolarHBondContact CG-O 3.28Å; F420-A516 HydrophobicContact CB-CB 3.64Å; F420-A516 HydrophobicContact CD2-CB 4.19Å; F420-A516 HydrophobicContact CG-CB 4.38Å; M422-A516 HydrophobicContact CG-CB 3.97Å; A516-G518 PolarHBondContact O-N 2.84Å
517N86.8Confident93.8Very high47 Ų4716.3 Ų16.325%0.2517%0.074SC..THydrogen-bonded Turntrans-81.35.9173.467.34000114.1R515 Q519R515-N517 WeakPolarHBondContact CB-OD1 3.49Å; R515-N517 PolarHBondContact O-N 2.94Å; N517-Q519 VanDerWaalsContact C-N 3.34Å; N517-Q519 PolarHBondContact O-N 3.49Å; N517-Q519 WeakPolarHBondContact OD1-CB 3.43Å; N517-Q519 WeakPolarHBondContact OD1-CG 3.44Å; N517-Q519 PolarHBondContact OD1-N 3.4Å
518G86Confident93.6Very high3 Ų317 Ų173%0.0318%0.078CC..SBendtrans84.9-5.9179.700000115.6V125 R515 A516V125-G518 WeakPolarHBondContact O-CA 3.33Å; R515-G518 WeakPolarHBondContact O-CA 3.22Å; R515-G518 PolarHBondContact O-N 2.99Å; A516-G518 PolarHBondContact O-N 2.84Å
519Q88.3Confident93.5Very high66 Ų6617.4 Ų17.431%0.3088%0.08SC..  trans-67.6136176.7-69.7-175.7-19.500111L124 Q514 R515 N517 K521L124-Q519 HydrophobicContact CD2-CB 4.28Å; L124-Q519 HydrophobicContact CD2-CG 3.73Å; Q514-Q519 CarbonylContact C-O 3.58Å; Q514-Q519 WeakPolarHBondContact CA-O 3.29Å; R515-Q519 PolarHBondContact N-O 3.35Å; N517-Q519 VanDerWaalsContact C-N 3.34Å; N517-Q519 PolarHBondContact O-N 3.49Å; N517-Q519 WeakPolarHBondContact OD1-CB 3.43Å; N517-Q519 WeakPolarHBondContact OD1-CG 3.44Å; N517-Q519 PolarHBondContact OD1-N 3.4Å; Q519-K521 VanDerWaalsContact OE1-CE 3.22Å; Q519-K521 VanDerWaalsContact OE1-NZ 3.09Å
520R90.5Very high93.3Very high94 Ų9421.3 Ų21.336%0.35510%0.1SC..EExtended strand (participates in β ladder)trans-85.5128.4168.4-70.3-156.7-175.6168.2-5.9110.9I119 V122 Y513I119-R520 HydrophobicContact CB-CB 4.27Å; I119-R520 HydrophobicContact CD1-CB 4.12Å; I119-R520 PolarHBondContact N-O 3.04Å; V122-R520 HydrophobicContact CB-CB 4.45Å; V122-R520 HydrophobicContact CB-CG 4.33Å; V122-R520 HydrophobicContact CG1-CG 3.95Å; V122-R520 HydrophobicContact CG2-CB 4.35Å; Y513-R520 CarbonylContact O-C 2.87Å; Y513-R520 WeakPolarHBondContact O-CA 3.4Å
521K91.9Very high93.1Very high19 Ų1921.7 Ų21.78%0.08310%0.101CC..EExtended strand (participates in β ladder)trans-116.6152.4178.2-60.6-62.9-177.6170.50110.1E116 Y117 T118 Q512 Y513 R515 Q519E116-K521 HydrophobicContact CG-CB 4.14Å; E116-K521 HydrophobicContact CG-CD 4.19Å; E116-K521 HydrophobicContact CG-CG 4.38Å; Y117-K521 CarbonylContact O-C 3.58Å; Y117-K521 VanDerWaalsContact O-CA 3.27Å; Y117-K521 WeakPolarHBondContact O-CA 3.4Å; T118-K521 PolarHBondContact OG1-NZ 3.02Å; Q512-K521 WeakPolarHBondContact CA-O 3.43Å; Y513-K521 HydrophobicContact CD1-CB 4.07Å; Y513-K521 HydrophobicContact CE1-CB 3.57Å; Y513-K521 HydrophobicContact CE2-CB 4.18Å; Y513-K521 HydrophobicContact CE2-CG 4.39Å; Y513-K521 PolarHBondContact N-O 3.44Å; Y513-K521 PolarHBondContact O-N 3.45Å; R515-K521 HydrophobicContact CG-CG 3.86Å; Q519-K521 VanDerWaalsContact OE1-CE 3.22Å; Q519-K521 VanDerWaalsContact OE1-NZ 3.09Å
522L94.6Very high92.8Very high0 Ų022.2 Ų22.20%010%0.104CC..EExtended strand (participates in β ladder)trans-124.1109.6165.6-176.975.5000107P58 I67 E116 Y117 I119 Y232 V510 T511 Q512 V524P58-L522 HydrophobicContact CB-CD2 4.31Å; P58-L522 HydrophobicContact CG-CD2 3.65Å; I67-L522 HydrophobicContact CD1-CD2 3.77Å; E116-L522 WeakPolarHBondContact CA-O 3.42Å; Y117-L522 WeakPolarHBondContact CD2-O 3.48Å; Y117-L522 PolarHBondContact N-O 3.49Å; Y117-L522 PolarHBondContact O-N 2.83Å; I119-L522 HydrophobicContact CD1-CB 4.22Å; I119-L522 HydrophobicContact CG1-CB 4.28Å; Y232-L522 HydrophobicContact CD2-CD1 4.42Å; Y232-L522 HydrophobicContact CD2-CD2 4.12Å; Y232-L522 HydrophobicContact CG-CD2 4.38Å; V510-L522 HydrophobicContact CG1-CD1 3.7Å; V510-L522 HydrophobicContact CG1-CG 4.43Å; T511-L522 CarbonylContact O-C 3.59Å; T511-L522 WeakPolarHBondContact O-CA 3.3Å; Q512-L522 HydrophobicContact CB-CD1 3.84Å; L522-V524 HydrophobicContact CD2-CG2 4.21Å; L522-V524 HydrophobicContact CG-CG2 4.11Å
523R95Very high92.4Very high7 Ų721.6 Ų21.63%0.02610%0.102CC..EExtended strand (participates in β ladder)trans-95.1130.9172.5-178.7173.9-76.1-158.1-4.5109.1L44 K46 T114 L115 E116 T511 Y513L44-R523 VanDerWaalsContact O-CD 3.3Å; L44-R523 WeakPolarHBondContact O-CD 3.3Å; L44-R523 PolarHBondContact O-NH1 3.46Å; K46-R523 PolarHBondContact O-NH1 2.73Å; K46-R523 PolarHBondContact O-NH2 2.78Å; T114-R523 HydrophobicContact CG2-CG 4.13Å; L115-R523 CarbonylContact O-C 3.48Å; L115-R523 WeakPolarHBondContact O-CA 3.24Å; E116-R523 IonicContact OE2-CZ 3.97Å; E116-R523 VanDerWaalsContact OE2-CZ 3.29Å; E116-R523 IonicContact OE2-NE 3.01Å; E116-R523 PolarHBondContact OE2-NE 2.91Å; E116-R523 IonicContact OE2-NH2 2.8Å; E116-R523 PolarHBondContact OE2-NH2 3.18Å; T511-R523 PolarHBondContact N-O 2.97Å; T511-R523 PolarHBondContact O-N 3.22Å; Y513-R523 HydrophobicContact CE1-CB 4.03Å
524V96.7Very high91.8Very high5 Ų521.7 Ų21.73%0.0310%0.103CC..EExtended strand (participates in β ladder)trans-124.4118.5-179.9-174.70000107.6I67 T114 L115 Y117 Q508 F509 L522I67-V524 HydrophobicContact CB-CG1 4.13Å; I67-V524 HydrophobicContact CB-CG2 4.45Å; I67-V524 HydrophobicContact CD1-CG1 4.38Å; I67-V524 HydrophobicContact CD1-CG2 3.46Å; I67-V524 VanDerWaalsContact CD1-CG2 3.46Å; I67-V524 HydrophobicContact CG2-CG1 4.3Å; I67-V524 HydrophobicContact CG2-CG2 4.26Å; T114-V524 CarbonylContact C-O 3.02Å; T114-V524 VanDerWaalsContact CA-O 3.26Å; T114-V524 WeakPolarHBondContact CA-O 3.05Å; L115-V524 PolarHBondContact N-O 2.78Å; L115-V524 PolarHBondContact O-N 2.79Å; Y117-V524 HydrophobicContact CD2-CG2 4.17Å; Y117-V524 HydrophobicContact CE2-CB 4.31Å; Y117-V524 HydrophobicContact CE2-CG2 3.82Å; Q508-V524 HydrophobicContact CG-CG1 3.9Å; F509-V524 WeakPolarHBondContact O-CA 3.34Å; L522-V524 HydrophobicContact CD2-CG2 4.21Å; L522-V524 HydrophobicContact CG-CG2 4.11Å
525T97.5Very high91.3Very high1 Ų126.8 Ų26.81%0.00614%0.135CC..EExtended strand (participates in β ladder)trans-116.3120173.9-63.10000107.8D15 I17 Y42 T114 Q508 F509 V527D15-T525 HydrophobicContact CB-CG2 3.82Å; I17-T525 HydrophobicContact CD1-CG2 3.39Å; I17-T525 HydrophobicContact CG1-CG2 4.48Å; Y42-T525 HydrophobicContact CE2-CG2 4.17Å; Y42-T525 PolarHBondContact OH-OG1 2.94Å; Y42-T525 VanDerWaalsContact OH-OG1 3.11Å; T114-T525 VanDerWaalsContact CG2-OG1 3.3Å; T114-T525 WeakPolarHBondContact CG2-OG1 3.4Å; T114-T525 WeakPolarHBondContact OG1-CB 3.36Å; T114-T525 WeakPolarHBondContact OG1-CG2 3.48Å; T114-T525 PolarHBondContact OG1-OG1 3.01Å; Q508-T525 CarbonylContact C-O 3.6Å; Q508-T525 WeakPolarHBondContact CA-O 3.36Å; F509-T525 HydrophobicContact CD2-CG2 4.26Å; F509-T525 PolarHBondContact N-O 3.03Å; F509-T525 PolarHBondContact O-N 2.79Å; T525-V527 HydrophobicContact CG2-CG1 4.25Å
526T98Very high91.1Very high1 Ų129.5 Ų29.51%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-114.4134.6173.6-47.30000108.9N69 Y71 T113 V507 Q508N69-T526 HydrophobicContact CB-CG2 4.37Å; Y71-T526 HydrophobicContact CD2-CG2 3.7Å; Y71-T526 HydrophobicContact CE2-CG2 4.06Å; Y71-T526 WeakPolarHBondContact CE2-O 3.44Å; T113-T526 PolarHBondContact O-N 2.88Å; V507-T526 WeakPolarHBondContact O-CA 3.46Å; Q508-T526 HydrophobicContact CB-CG2 4.19Å; Q508-T526 PolarHBondContact NE2-OG1 2.7Å
527V96.9Very high91.2Very high1 Ų133 Ų331%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-133.5154177.7-66.20000109.9D15 I17 F19 Y506 V507 F509 T525D15-V527 HydrophobicContact CB-CG1 4.31Å; I17-V527 HydrophobicContact CD1-CG1 3.62Å; I17-V527 HydrophobicContact CD1-CG2 4.28Å; F19-V527 HydrophobicContact CE2-CB 4.49Å; F19-V527 HydrophobicContact CE2-CG2 3.76Å; F19-V527 HydrophobicContact CZ-CG2 3.89Å; Y506-V527 WeakPolarHBondContact CA-O 3.35Å; V507-V527 HydrophobicContact CB-CG2 3.96Å; V507-V527 PolarHBondContact N-O 3.05Å; V507-V527 PolarHBondContact O-N 3.15Å; F509-V527 HydrophobicContact CE2-CG2 4.13Å; T525-V527 HydrophobicContact CG2-CG1 4.25Å
528C95.4Very high91.4Very high13 Ų1333.6 Ų33.69%0.08818%0.175CC..EExtended strand (participates in β ladder)trans-132.4152.3174.372.10000111.8Y71 G505 Y506Y71-C528 HydrophobicContact CE1-CB 4.4Å; Y71-C528 WeakPolarHBondContact CE1-SG 3.34Å; G505-C528 CarbonylContact O-C 3.52Å; G505-C528 WeakPolarHBondContact O-CA 3.38Å; G505-C528 WeakPolarHBondContact O-CB 3.36Å; Y506-C528 HydrophobicContact CD1-CB 3.41Å; Y506-C528 VanDerWaalsContact CD1-CB 3.41Å; Y506-C528 HydrophobicContact CE1-CB 3.43Å; Y506-C528 VanDerWaalsContact CE1-CB 3.43Å; Y506-C528 HydrophobicContact CG-CB 4.34Å
529R95.2Very high91.7Very high10 Ų1037.8 Ų37.84%0.03820%0.201CC..EExtended strand (participates in β ladder)trans-136.9154.3169-62.1-60.9-176.2-96.19.7109.6S11 N22 W24 R504 G505S11-R529 PolarHBondContact OG-NH2 3.16Å; N22-R529 WeakPolarHBondContact O-CD 3.38Å; N22-R529 VanDerWaalsContact OD1-CZ 3.3Å; N22-R529 PolarHBondContact OD1-NE 2.96Å; N22-R529 PolarHBondContact OD1-NH2 3.42Å; W24-R529 HydrophobicContact CD2-CB 3.73Å; W24-R529 HydrophobicContact CD2-CG 4.28Å; W24-R529 HydrophobicContact CE3-CB 4.09Å; W24-R529 HydrophobicContact CG-CB 4.23Å; W24-R529 HydrophobicContact CH2-CB 3.98Å; W24-R529 HydrophobicContact CH2-CG 4Å; W24-R529 HydrophobicContact CZ2-CB 3.64Å; W24-R529 HydrophobicContact CZ2-CG 3.35Å; W24-R529 HydrophobicContact CZ3-CB 4.23Å; R504-R529 CarbonylContact C-O 3.59Å; R504-R529 VanDerWaalsContact CA-O 3.3Å; R504-R529 WeakPolarHBondContact CA-O 3.31Å; G505-R529 PolarHBondContact N-O 3.26Å; G505-R529 PolarHBondContact O-N 3.46Å
530N93.6Very high91.8Very high81 Ų8140.2 Ų40.243%0.43321%0.212SC..EExtended strand (participates in β ladder)trans-75.9142.2177.9-65.2-29.6000110.1W24 G503 R504 I532W24-N530 PolarHBondContact N-O 3.1Å; G503-N530 WeakPolarHBondContact O-CA 3.36Å; R504-N530 VanDerWaalsContact CG-OD1 3.29Å; R504-N530 WeakPolarHBondContact CG-OD1 3.36Å; R504-N530 PolarHBondContact NE-OD1 3.35Å; N530-I532 HydrophobicContact CB-CG1 4.49Å
531W93.1Very high91.9Very high11 Ų1135.8 Ų35.84%0.04220%0.196CC..EExtended strand (participates in β ladder)trans-78.6133.6165.3-70119.2000109.5W24 P25 I26 E435 L436 V485 G503 R504 G505W24-W531 HydrophobicContact CB-CD2 4.44Å; W24-W531 HydrophobicContact CB-CE3 3.58Å; W24-W531 HydrophobicContact CB-CH2 4.31Å; W24-W531 HydrophobicContact CB-CZ3 3.51Å; W24-W531 AromaticContact CE3-CH2 3.97Å; W24-W531 HydrophobicContact CE3-CH2 3.97Å; W24-W531 HydrophobicContact CE3-CZ2 4.05Å; W24-W531 HydrophobicContact CE3-CZ3 4.3Å; W24-W531 HydrophobicContact CG-CZ3 4.46Å; W24-W531 CarbonylContact O-C 3.52Å; W24-W531 WeakPolarHBondContact O-CA 3.27Å; P25-W531 VanDerWaalsContact O-CZ3 3.23Å; P25-W531 WeakPolarHBondContact O-CZ3 3.49Å; I26-W531 HydrophobicContact CG2-CB 3.67Å; I26-W531 HydrophobicContact CG2-CG 4.46Å; E435-W531 HydrophobicContact CB-CH2 4.08Å; E435-W531 HydrophobicContact CB-CZ2 3.55Å; L436-W531 HydrophobicContact CB-CH2 4.07Å; L436-W531 HydrophobicContact CB-CZ2 4.3Å; L436-W531 HydrophobicContact CD1-CH2 4Å; V485-W531 HydrophobicContact CG1-CZ3 4.34Å; V485-W531 HydrophobicContact CG2-CZ3 4.09Å; G503-W531 PolarHBondContact O-N 2.82Å; R504-W531 VanDerWaalsContact C-NE1 3.27Å; R504-W531 PolarHBondContact O-NE1 2.86Å; G505-W531 VanDerWaalsContact CA-NE1 3.29Å; G505-W531 VanDerWaalsContact N-NE1 3.11Å
532I90.3Very high92.1Very high12 Ų1236.2 Ų36.26%0.06220%0.199CC..EExtended strand (participates in β ladder)trans-130.6137.3-174-60.5-152000109.8A23 W24 P25 I26 N530 S534 Q537 H540A23-I532 HydrophobicContact CB-CB 4.49Å; A23-I532 HydrophobicContact CB-CD1 3.32Å; A23-I532 HydrophobicContact CB-CG1 3.79Å; W24-I532 PolarHBondContact O-N 2.61Å; P25-I532 WeakPolarHBondContact CA-O 3.2Å; I26-I532 PolarHBondContact N-O 3.16Å; I26-I532 VanDerWaalsContact N-O 3.08Å; N530-I532 HydrophobicContact CB-CG1 4.49Å; I532-S534 PolarHBondContact O-N 3.09Å; I532-Q537 HydrophobicContact CG2-CB 3.44Å; I532-Q537 VanDerWaalsContact CG2-CB 3.44Å; I532-H540 HydrophobicContact CD1-CB 3.47Å; I532-H540 VanDerWaalsContact CD1-CB 3.47Å
533D87.1Confident92.1Very high26 Ų2638.6 Ų38.614%0.13922%0.215CC..  trans-82.4107.6165.8179.2-4.5000108.8I26 T535 T536 Q537I26-D533 HydrophobicContact CD1-CB 3.39Å; I26-D533 HydrophobicContact CG1-CB 4.47Å; D533-T535 PolarHBondContact O-N 3.24Å; D533-T535 VanDerWaalsContact O-N 3.09Å; D533-T535 WeakPolarHBondContact OD1-CB 3.46Å; D533-T535 PolarHBondContact OD1-N 3.31Å; D533-T535 PolarHBondContact OD1-OG1 3.27Å; D533-T535 PolarHBondContact OD2-OG1 2.86Å; D533-T535 VanDerWaalsContact OD2-OG1 3.1Å; D533-T536 WeakPolarHBondContact CB-OG1 3.03Å; D533-T536 VanDerWaalsContact CG-OG1 3.3Å; D533-T536 PolarHBondContact O-N 3.47Å; D533-T536 PolarHBondContact OD2-OG1 3.41Å; D533-Q537 WeakPolarHBondContact O-CA 3.36Å; D533-Q537 WeakPolarHBondContact O-CB 3.44Å; D533-Q537 PolarHBondContact O-N 2.82Å
534S80.8Confident92.1Very high6 Ų638.2 Ų38.24%0.04221%0.213CC..THydrogen-bonded Turntrans-63.2-16.7-17961.30000113.5E30 I532 L538E30-S534 VanDerWaalsContact CD-OG 3.25Å; E30-S534 WeakPolarHBondContact CG-OG 3.39Å; E30-S534 WeakPolarHBondContact OE2-CB 3.34Å; E30-S534 PolarHBondContact OE2-N 2.77Å; E30-S534 PolarHBondContact OE2-OG 2.87Å; I532-S534 PolarHBondContact O-N 3.09Å; S534-L538 WeakPolarHBondContact O-CB 3.07Å
535T82.3Confident92.1Very high110 Ų11038.3 Ų38.368%0.67521%0.213SC*.THydrogen-bonded Turntrans-79.8-36.8178.270.20000112.4D533D533-T535 PolarHBondContact O-N 3.24Å; D533-T535 VanDerWaalsContact O-N 3.09Å; D533-T535 WeakPolarHBondContact OD1-CB 3.46Å; D533-T535 PolarHBondContact OD1-N 3.31Å; D533-T535 PolarHBondContact OD1-OG1 3.27Å; D533-T535 PolarHBondContact OD2-OG1 2.86Å; D533-T535 VanDerWaalsContact OD2-OG1 3.1Å
536T86.4Confident92.1Very high101 Ų10138.6 Ų38.662%0.6222%0.215SC*.THydrogen-bonded Turntrans-102.3-23.4-17754.80000113.1D533D533-T536 WeakPolarHBondContact CB-OG1 3.03Å; D533-T536 VanDerWaalsContact CG-OG1 3.3Å; D533-T536 PolarHBondContact O-N 3.47Å; D533-T536 PolarHBondContact OD2-OG1 3.41Å
537Q88.7Confident92.1Very high80 Ų8039.8 Ų39.837%0.37422%0.22SC..  trans-128.329.4-170.4-65.4178-29.100112.5I532 D533 P539 H540 M541I532-Q537 HydrophobicContact CG2-CB 3.44Å; I532-Q537 VanDerWaalsContact CG2-CB 3.44Å; D533-Q537 WeakPolarHBondContact O-CA 3.36Å; D533-Q537 WeakPolarHBondContact O-CB 3.44Å; D533-Q537 PolarHBondContact O-N 2.82Å; Q537-P539 VanDerWaalsContact C-N 3.29Å; Q537-P539 VanDerWaalsContact O-N 3.17Å; Q537-H540 WeakPolarHBondContact O-CB 3.34Å; Q537-H540 PolarHBondContact O-N 3.14Å; Q537-M541 PolarHBondContact O-N 3.08Å
538L90.8Very high92.2Very high58 Ų5843.1 Ų43.130%0.30424%0.236SC..Hα-helixtrans-46.5-42.6176.2-174.960.2000114.1S534 H540 M541 I542 F585S534-L538 WeakPolarHBondContact O-CB 3.07Å; L538-H540 VanDerWaalsContact C-N 3.27Å; L538-H540 PolarHBondContact O-N 2.9Å; L538-M541 HydrophobicContact CD1-CE 3.48Å; L538-M541 VanDerWaalsContact CD1-CE 3.48Å; L538-M541 WeakPolarHBondContact O-CB 3.26Å; L538-M541 PolarHBondContact O-N 2.87Å; L538-M541 VanDerWaalsContact O-N 3.08Å; L538-I542 HydrophobicContact CD1-CD1 4.4Å; L538-I542 HydrophobicContact CD1-CG1 4.4Å; L538-I542 HydrophobicContact CG-CD1 3.95Å; L538-I542 HydrophobicContact CG-CG1 4.41Å; L538-I542 WeakPolarHBondContact O-CG1 3.26Å; L538-I542 PolarHBondContact O-N 2.96Å; L538-F585 HydrophobicContact CD1-CD1 4.39Å; L538-F585 HydrophobicContact CD1-CE1 4.04Å
539P92.5Very high92.3Very high91 Ų9142.5 Ų42.559%0.59123%0.232SC*.Hα-helixtrans-59.7-34.9178.5-25.536.3000113.8Q537 I542 C543Q537-P539 VanDerWaalsContact C-N 3.29Å; Q537-P539 VanDerWaalsContact O-N 3.17Å; P539-I542 PolarHBondContact O-N 2.8Å; P539-C543 WeakPolarHBondContact O-CB 3.37Å; P539-C543 PolarHBondContact O-N 2.86Å
540H91.4Very high92.5Very high117 Ų11742 Ų4254%0.54223%0.23SC..Hα-helixtrans-72.4-33.3176.5-67.5-69.3000112.3I532 Q537 L538 G544I532-H540 HydrophobicContact CD1-CB 3.47Å; I532-H540 VanDerWaalsContact CD1-CB 3.47Å; Q537-H540 WeakPolarHBondContact O-CB 3.34Å; Q537-H540 PolarHBondContact O-N 3.14Å; L538-H540 VanDerWaalsContact C-N 3.27Å; L538-H540 PolarHBondContact O-N 2.9Å; H540-G544 PolarHBondContact O-N 3.05Å; H540-G544 VanDerWaalsContact O-N 3.15Å
541M91.6Very high92.7Very high1 Ų138.1 Ų38.11%0.00521%0.209CC..Hα-helixtrans-67.6-42.1173.3-173.6167.167.600111.3W21 C34 Q537 L538 G544 F545 F585W21-M541 HydrophobicContact CE3-CG 4Å; W21-M541 HydrophobicContact CZ3-CG 3.85Å; C34-M541 VanDerWaalsContact SG-SD 3.67Å; Q537-M541 PolarHBondContact O-N 3.08Å; L538-M541 HydrophobicContact CD1-CE 3.48Å; L538-M541 VanDerWaalsContact CD1-CE 3.48Å; L538-M541 WeakPolarHBondContact O-CB 3.26Å; L538-M541 PolarHBondContact O-N 2.87Å; L538-M541 VanDerWaalsContact O-N 3.08Å; M541-G544 PolarHBondContact O-N 2.89Å; M541-F545 PolarHBondContact O-N 2.72Å; M541-F585 HydrophobicContact CE-CE1 3.67Å; M541-F585 HydrophobicContact CE-CZ 3.78Å
542I95.3Very high93Very high29 Ų2937.6 Ų37.615%0.14921%0.207CC..Hα-helixtrans-58.9-51.7174.8-73.9169000110.6L538 P539 G544 F545 F585 P599 F602L538-I542 HydrophobicContact CD1-CD1 4.4Å; L538-I542 HydrophobicContact CD1-CG1 4.4Å; L538-I542 HydrophobicContact CG-CD1 3.95Å; L538-I542 HydrophobicContact CG-CG1 4.41Å; L538-I542 WeakPolarHBondContact O-CG1 3.26Å; L538-I542 PolarHBondContact O-N 2.96Å; P539-I542 PolarHBondContact O-N 2.8Å; I542-G544 PolarHBondContact O-N 3.06Å; I542-F545 WeakPolarHBondContact O-CB 3.23Å; I542-F545 PolarHBondContact O-N 3.21Å; I542-F545 VanDerWaalsContact O-N 3.08Å; I542-F585 HydrophobicContact CG1-CD1 3.89Å; I542-F585 HydrophobicContact CG1-CE1 4.3Å; I542-P599 HydrophobicContact CD1-CG 4.1Å; I542-P599 HydrophobicContact CG1-CG 4.43Å; I542-P599 HydrophobicContact CG2-CB 3.44Å; I542-P599 VanDerWaalsContact CG2-CB 3.44Å; I542-P599 HydrophobicContact CG2-CG 3.7Å; I542-F602 HydrophobicContact CB-CE2 4.24Å; I542-F602 HydrophobicContact CG1-CE2 4.21Å; I542-F602 HydrophobicContact CG2-CD2 4.44Å; I542-F602 HydrophobicContact CG2-CE2 3.97Å
543C94.8Very high93.4Very high49 Ų4937 Ų3733%0.33120%0.204SC..Hα-helixtrans-59.3-30.3179.4-173.30000112.4M4 P539 F545M4-C543 VanDerWaalsContact CG-O 3.23Å; M4-C543 WeakPolarHBondContact CG-O 3.24Å; P539-C543 WeakPolarHBondContact O-CB 3.37Å; P539-C543 PolarHBondContact O-N 2.86Å; C543-F545 VanDerWaalsContact C-N 3.35Å
544G95.5Very high93.9Very high0 Ų035.9 Ų35.90%020%0.198CC..THydrogen-bonded Turntrans-78.8-7.2178.900000115.7N22 H540 M541 I542N22-G544 WeakPolarHBondContact CB-O 3.33Å; N22-G544 PolarHBondContact N-O 2.7Å; N22-G544 PolarHBondContact ND2-O 3.03Å; H540-G544 PolarHBondContact O-N 3.05Å; H540-G544 VanDerWaalsContact O-N 3.15Å; M541-G544 PolarHBondContact O-N 2.89Å; I542-G544 PolarHBondContact O-N 3.06Å
545F97.6Very high94.8Very high6 Ų635.6 Ų35.63%0.02620%0.196CC..BIsolated β-bridgetrans-75.5128.8-178.1-173.7-114.5000111.5S20 W21 V36 M541 I542 C543 Q547 A550 L581 E601 F602 Y605S20-F545 VanDerWaalsContact O-CD2 3.29Å; S20-F545 WeakPolarHBondContact O-CD2 3.34Å; W21-F545 AromaticContact CD2-CD2 3.79Å; W21-F545 HydrophobicContact CD2-CD2 3.79Å; W21-F545 HydrophobicContact CD2-CE2 4.49Å; W21-F545 AromaticContact CE2-CD2 3.66Å; W21-F545 AromaticContact CE2-CE2 3.95Å; W21-F545 HydrophobicContact CE3-CB 3.99Å; W21-F545 AromaticContact CE3-CD2 3.75Å; W21-F545 HydrophobicContact CE3-CD2 3.75Å; W21-F545 HydrophobicContact CE3-CG 4.34Å; W21-F545 HydrophobicContact CH2-CB 4.23Å; W21-F545 AromaticContact CH2-CD2 3.45Å; W21-F545 HydrophobicContact CH2-CD2 3.45Å; W21-F545 VanDerWaalsContact CH2-CD2 3.45Å; W21-F545 HydrophobicContact CH2-CE2 4.05Å; W21-F545 HydrophobicContact CH2-CG 4.04Å; W21-F545 AromaticContact CZ2-CD2 3.51Å; W21-F545 HydrophobicContact CZ2-CD2 3.51Å; W21-F545 AromaticContact CZ2-CE2 3.72Å; W21-F545 HydrophobicContact CZ2-CE2 3.72Å; W21-F545 HydrophobicContact CZ2-CG 4.5Å; W21-F545 HydrophobicContact CZ3-CB 3.67Å; W21-F545 AromaticContact CZ3-CD2 3.6Å; W21-F545 HydrophobicContact CZ3-CD2 3.6Å; W21-F545 AromaticContact CZ3-CG 3.97Å; W21-F545 HydrophobicContact CZ3-CG 3.97Å; V36-F545 HydrophobicContact CB-CE2 4.29Å; V36-F545 HydrophobicContact CG1-CE2 4.29Å; V36-F545 HydrophobicContact CG2-CE2 4.32Å; V36-F545 HydrophobicContact CG2-CZ 4.42Å; M541-F545 PolarHBondContact O-N 2.72Å; I542-F545 WeakPolarHBondContact O-CB 3.23Å; I542-F545 PolarHBondContact O-N 3.21Å; I542-F545 VanDerWaalsContact O-N 3.08Å; C543-F545 VanDerWaalsContact C-N 3.35Å; F545-Q547 HydrophobicContact CD1-CB 4.22Å; F545-Q547 HydrophobicContact CE1-CB 3.79Å; F545-A550 HydrophobicContact CE1-CB 4.34Å; F545-A550 HydrophobicContact CE2-CB 3.54Å; F545-A550 HydrophobicContact CZ-CB 3.4Å; F545-L581 HydrophobicContact CZ-CD1 4.15Å; F545-E601 HydrophobicContact CB-CB 4.44Å; F545-E601 WeakPolarHBondContact CD1-O 3.34Å; F545-F602 HydrophobicContact CB-CD2 4.47Å; F545-F602 HydrophobicContact CB-CE1 4.03Å; F545-F602 HydrophobicContact CB-CE2 3.71Å; F545-F602 HydrophobicContact CB-CZ 3.47Å; F545-F602 VanDerWaalsContact CB-CZ 3.47Å; F545-F602 AromaticContact CD1-CD1 3.29Å; F545-F602 HydrophobicContact CD1-CD1 3.29Å; F545-F602 HydrophobicContact CD1-CD2 4Å; F545-F602 AromaticContact CD1-CE1 3.26Å; F545-F602 HydrophobicContact CD1-CE1 3.26Å; F545-F602 AromaticContact CD1-CE2 3.94Å; F545-F602 HydrophobicContact CD1-CE2 3.94Å; F545-F602 AromaticContact CD1-CG 3.71Å; F545-F602 HydrophobicContact CD1-CG 3.71Å; F545-F602 AromaticContact CD1-CZ 3.6Å; F545-F602 HydrophobicContact CD1-CZ 3.6Å; F545-F602 AromaticContact CD2-CE1 3.89Å; F545-F602 HydrophobicContact CD2-CE1 3.89Å; F545-F602 HydrophobicContact CD2-CZ 4.12Å; F545-F602 AromaticContact CE1-CD1 3.32Å; F545-F602 HydrophobicContact CE1-CD1 3.32Å; F545-F602 AromaticContact CE1-CE1 3.53Å; F545-F602 HydrophobicContact CE1-CE1 3.53Å; F545-F602 HydrophobicContact CE1-CG 4.02Å; F545-F602 HydrophobicContact CE1-CZ 4.33Å; F545-F602 HydrophobicContact CE2-CE1 4.12Å; F545-F602 HydrophobicContact CG-CD1 4Å; F545-F602 AromaticContact CG-CE1 3.45Å; F545-F602 HydrophobicContact CG-CE1 3.45Å; F545-F602 VanDerWaalsContact CG-CE1 3.45Å; F545-F602 HydrophobicContact CG-CE2 4.02Å; F545-F602 AromaticContact CG-CZ 3.46Å; F545-F602 HydrophobicContact CG-CZ 3.46Å; F545-F602 VanDerWaalsContact CG-CZ 3.46Å; F545-F602 HydrophobicContact CZ-CD1 4.06Å; F545-F602 AromaticContact CZ-CE1 3.95Å; F545-F602 HydrophobicContact CZ-CE1 3.95Å; F545-Y605 HydrophobicContact CE1-CD2 4.25Å; F545-Y605 HydrophobicContact CE1-CG 4.32Å; F545-Y605 HydrophobicContact CZ-CD2 4.04Å; F545-Y605 HydrophobicContact CZ-CE2 4.28Å; F545-Y605 HydrophobicContact CZ-CG 4.38Å
546D97.9Very high95.5Very high8 Ų830.3 Ų30.34%0.04316%0.164CC..  trans-107.693.7174.8-175.7-15.2000108.8I8 R18 F19 S20 E548 A549 A550I8-D546 HydrophobicContact CD1-CB 4.2Å; I8-D546 WeakPolarHBondContact CG2-OD2 3.24Å; R18-D546 IonicContact CZ-OD1 2.76Å; R18-D546 IonicContact CZ-OD2 3.72Å; R18-D546 VanDerWaalsContact CZ-OD2 3.32Å; R18-D546 IonicContact NE-OD1 3.05Å; R18-D546 IonicContact NE-OD2 3.5Å; R18-D546 PolarHBondContact NE-OD2 3.25Å; R18-D546 VanDerWaalsContact NH2-CG 3.33Å; R18-D546 IonicContact NH2-OD1 3.41Å; R18-D546 PolarHBondContact NH2-OD1 3.14Å; R18-D546 IonicContact NH2-OD2 3.83Å; R18-D546 PolarHBondContact NH2-OD2 2.89Å; F19-D546 WeakPolarHBondContact O-CB 3.34Å; S20-D546 PolarHBondContact O-N 2.91Å; D546-E548 PolarHBondContact O-N 3.38Å; D546-E548 WeakPolarHBondContact OD1-CB 3.21Å; D546-E548 PolarHBondContact OD1-N 3.06Å; D546-A549 HydrophobicContact CB-CB 4.1Å; D546-A549 PolarHBondContact O-N 2.77Å; D546-A549 PolarHBondContact OD1-N 2.86Å; D546-A549 VanDerWaalsContact OD1-N 3.15Å; D546-A549 WeakPolarHBondContact OD2-CB 3.38Å; D546-A550 WeakPolarHBondContact O-CB 3.31Å; D546-A550 PolarHBondContact O-N 3.18Å
547Q97.5Very high96.1Very high26 Ų2626.8 Ų26.812%0.12114%0.14CC..Hα-helixtrans-58.6-28.8-178.653.2-169.3-3200114.2F545 T551 G600 E601 F604 Y605 F608F545-Q547 HydrophobicContact CD1-CB 4.22Å; F545-Q547 HydrophobicContact CE1-CB 3.79Å; Q547-T551 VanDerWaalsContact O-CB 3.26Å; Q547-T551 WeakPolarHBondContact O-CB 3.25Å; Q547-T551 PolarHBondContact O-N 3.17Å; Q547-T551 PolarHBondContact O-OG1 3.02Å; Q547-G600 PolarHBondContact NE2-O 3.22Å; Q547-E601 VanDerWaalsContact CB-O 3.3Å; Q547-E601 WeakPolarHBondContact CB-O 3.37Å; Q547-E601 WeakPolarHBondContact CG-O 3.28Å; Q547-E601 PolarHBondContact NE2-O 3.36Å; Q547-E601 PolarHBondContact OE1-O 2.75Å; Q547-F604 VanDerWaalsContact OE1-CA 3.31Å; Q547-F604 VanDerWaalsContact OE1-CB 3.28Å; Q547-Y605 HydrophobicContact CB-CD2 4.44Å; Q547-Y605 VanDerWaalsContact OE1-N 3.12Å; Q547-F608 HydrophobicContact CG-CE2 4.36Å
548E98Very high96.5Very high70 Ų7023 Ų2333%0.32712%0.122SC..Hα-helixtrans-71.9-54.5179-64.9-173.116500110.4R18 D546 A550 T551 V552 F608 L644R18-E548 IonicContact CZ-OE2 3.39Å; R18-E548 IonicContact NH1-OE2 3.6Å; R18-E548 PolarHBondContact NH1-OE2 3.25Å; R18-E548 IonicContact NH2-OE2 3.12Å; R18-E548 PolarHBondContact NH2-OE2 3.29Å; D546-E548 PolarHBondContact O-N 3.38Å; D546-E548 WeakPolarHBondContact OD1-CB 3.21Å; D546-E548 PolarHBondContact OD1-N 3.06Å; E548-A550 VanDerWaalsContact C-N 3.32Å; E548-A550 PolarHBondContact O-N 3.26Å; E548-T551 WeakPolarHBondContact O-CB 3.31Å; E548-T551 PolarHBondContact O-N 3.02Å; E548-V552 PolarHBondContact O-N 3.45Å; E548-V552 VanDerWaalsContact O-N 3.14Å; E548-F608 HydrophobicContact CG-CE2 4.41Å; E548-L644 HydrophobicContact CB-CD1 3.5Å; E548-L644 VanDerWaalsContact CB-CD1 3.5Å; E548-L644 HydrophobicContact CG-CD1 3.58Å
549A98.5Very high96.7Very high0 Ų020.3 Ų20.30%011%0.108CC..Hα-helixtrans-63.1-41.3177.800000111.4R18 L41 D546 T551 V552 L553R18-A549 HydrophobicContact CB-CB 3.87Å; L41-A549 HydrophobicContact CD1-CB 4.36Å; D546-A549 HydrophobicContact CB-CB 4.1Å; D546-A549 PolarHBondContact O-N 2.77Å; D546-A549 PolarHBondContact OD1-N 2.86Å; D546-A549 VanDerWaalsContact OD1-N 3.15Å; D546-A549 WeakPolarHBondContact OD2-CB 3.38Å; A549-T551 VanDerWaalsContact C-N 3.31Å; A549-T551 PolarHBondContact O-N 3.38Å; A549-V552 PolarHBondContact O-N 3.43Å; A549-L553 WeakPolarHBondContact O-CB 3.44Å; A549-L553 WeakPolarHBondContact O-CD1 3.37Å; A549-L553 WeakPolarHBondContact O-CG 3.28Å; A549-L553 PolarHBondContact O-N 3.34Å
550A98.6Very high96.9Very high0 Ų019.7 Ų19.70%010%0.097CC..Hα-helixtrans-57.7-43.9174.700000112V36 F545 D546 E548 L553 I554 Y605V36-A550 HydrophobicContact CG1-CB 3.88Å; F545-A550 HydrophobicContact CE1-CB 4.34Å; F545-A550 HydrophobicContact CE2-CB 3.54Å; F545-A550 HydrophobicContact CZ-CB 3.4Å; D546-A550 WeakPolarHBondContact O-CB 3.31Å; D546-A550 PolarHBondContact O-N 3.18Å; E548-A550 VanDerWaalsContact C-N 3.32Å; E548-A550 PolarHBondContact O-N 3.26Å; A550-L553 PolarHBondContact O-N 3.06Å; A550-I554 WeakPolarHBondContact O-CB 3.36Å; A550-I554 VanDerWaalsContact O-CG1 3.29Å; A550-I554 WeakPolarHBondContact O-CG1 3.13Å; A550-I554 PolarHBondContact O-N 3.37Å; A550-Y605 HydrophobicContact CB-CD2 4.3Å; A550-Y605 HydrophobicContact CB-CE2 3.96Å
551T98.5Very high97.1Very high0 Ų017.9 Ų17.90%09%0.087CC..Hα-helixtrans-58.3-51.6177.1-70.40000111.2Q547 E548 A549 L553 I554 A555 F608 M609 L644 I647Q547-T551 VanDerWaalsContact O-CB 3.26Å; Q547-T551 WeakPolarHBondContact O-CB 3.25Å; Q547-T551 PolarHBondContact O-N 3.17Å; Q547-T551 PolarHBondContact O-OG1 3.02Å; E548-T551 WeakPolarHBondContact O-CB 3.31Å; E548-T551 PolarHBondContact O-N 3.02Å; A549-T551 VanDerWaalsContact C-N 3.31Å; A549-T551 PolarHBondContact O-N 3.38Å; T551-L553 PolarHBondContact O-N 2.82Å; T551-I554 PolarHBondContact O-N 2.87Å; T551-A555 VanDerWaalsContact O-CB 3.28Å; T551-A555 WeakPolarHBondContact O-CB 3.34Å; T551-A555 PolarHBondContact O-N 3.02Å; T551-F608 HydrophobicContact CG2-CB 3.55Å; T551-F608 HydrophobicContact CG2-CD2 4.41Å; T551-F608 HydrophobicContact CG2-CG 3.98Å; T551-F608 VanDerWaalsContact OG1-CB 3.29Å; T551-F608 WeakPolarHBondContact OG1-CB 3.41Å; T551-F608 VanDerWaalsContact OG1-CD2 3.24Å; T551-F608 WeakPolarHBondContact OG1-CD2 3.3Å; T551-M609 HydrophobicContact CG2-CE 3.74Å; T551-L644 HydrophobicContact CG2-CD2 3.74Å; T551-I647 HydrophobicContact CG2-CD1 3.83Å; T551-I647 HydrophobicContact CG2-CG2 4.47Å
552V98.6Very high97.2Very high0 Ų018.6 Ų18.60%09%0.093CC..Hα-helixtrans-66.6-39.5-177.9178.10000111.1L41 E548 A549 I554 A555 R556 L644L41-V552 HydrophobicContact CD1-CB 3.89Å; L41-V552 HydrophobicContact CD1-CG1 3.87Å; L41-V552 HydrophobicContact CD1-CG2 4.42Å; L41-V552 HydrophobicContact CD2-CB 4.41Å; L41-V552 HydrophobicContact CD2-CG1 3.78Å; L41-V552 HydrophobicContact CG-CG1 4.46Å; E548-V552 PolarHBondContact O-N 3.45Å; E548-V552 VanDerWaalsContact O-N 3.14Å; A549-V552 PolarHBondContact O-N 3.43Å; V552-I554 PolarHBondContact O-N 3.37Å; V552-A555 PolarHBondContact O-N 2.97Å; V552-R556 WeakPolarHBondContact O-CG 3.18Å; V552-R556 PolarHBondContact O-N 3.35Å; V552-L644 HydrophobicContact CG2-CD2 4.1Å; V552-L644 HydrophobicContact CG2-CG 4.04Å
553L98.8Very high96.9Very high0 Ų020.7 Ų20.70%010%0.102CC..Hα-helixtrans-61.4-42.8175.5-74.1165.9000111.8G39 L41 A480 Y482 A549 A550 T551 M557G39-L553 WeakPolarHBondContact O-CD1 3.45Å; L41-L553 HydrophobicContact CD2-CD2 4.01Å; L41-L553 HydrophobicContact CD2-CG 4.24Å; L41-L553 HydrophobicContact CG-CD2 4.41Å; L41-L553 HydrophobicContact CG-CG 4.35Å; A480-L553 HydrophobicContact CB-CD2 3.65Å; Y482-L553 HydrophobicContact CE1-CB 4.11Å; Y482-L553 HydrophobicContact CE1-CD2 3.86Å; Y482-L553 PolarHBondContact OH-O 3.1Å; A549-L553 WeakPolarHBondContact O-CB 3.44Å; A549-L553 WeakPolarHBondContact O-CD1 3.37Å; A549-L553 WeakPolarHBondContact O-CG 3.28Å; A549-L553 PolarHBondContact O-N 3.34Å; A550-L553 PolarHBondContact O-N 3.06Å; T551-L553 PolarHBondContact O-N 2.82Å; L553-M557 WeakPolarHBondContact O-CG 3.27Å; L553-M557 PolarHBondContact O-N 2.94Å; L553-M557 VanDerWaalsContact O-N 3.13Å
554I98.4Very high96.7Very high1 Ų124.4 Ų24.41%0.00512%0.124CC..Hα-helixtrans-71.1-38.7176.6-70.5-70.1000111.2V36 A550 T551 V552 R556 M557 A558 W573 L574 M609V36-I554 HydrophobicContact CG1-CG1 4.39Å; V36-I554 HydrophobicContact CG2-CD1 4.37Å; V36-I554 HydrophobicContact CG2-CG1 4.21Å; A550-I554 WeakPolarHBondContact O-CB 3.36Å; A550-I554 VanDerWaalsContact O-CG1 3.29Å; A550-I554 WeakPolarHBondContact O-CG1 3.13Å; A550-I554 PolarHBondContact O-N 3.37Å; T551-I554 PolarHBondContact O-N 2.87Å; V552-I554 PolarHBondContact O-N 3.37Å; I554-R556 VanDerWaalsContact C-N 3.33Å; I554-R556 PolarHBondContact O-N 2.95Å; I554-M557 HydrophobicContact CD1-SD 4.2Å; I554-M557 PolarHBondContact O-N 2.68Å; I554-A558 WeakPolarHBondContact O-CB 3.02Å; I554-A558 PolarHBondContact O-N 2.72Å; I554-W573 HydrophobicContact CD1-CH2 4.3Å; I554-W573 HydrophobicContact CG2-CH2 4.39Å; I554-W573 HydrophobicContact CG2-CZ3 4.38Å; I554-L574 HydrophobicContact CG2-CD1 3.37Å; I554-M609 HydrophobicContact CG2-CE 4.49Å; I554-M609 HydrophobicContact CG2-SD 3.93Å
555A98.2Very high96.3Very high0 Ų027.3 Ų27.30%014%0.142CC..Hα-helixtrans-58.6-45.2175.600000111.5T551 V552 A558 M559 M612 L635 I647T551-A555 VanDerWaalsContact O-CB 3.28Å; T551-A555 WeakPolarHBondContact O-CB 3.34Å; T551-A555 PolarHBondContact O-N 3.02Å; V552-A555 PolarHBondContact O-N 2.97Å; A555-A558 PolarHBondContact O-N 3.09Å; A555-M559 WeakPolarHBondContact O-CG 3.49Å; A555-M559 PolarHBondContact O-N 3.1Å; A555-M612 HydrophobicContact CB-CE 3.56Å; A555-M612 HydrophobicContact CB-CG 4.33Å; A555-M612 HydrophobicContact CB-SD 3.53Å; A555-M612 VanDerWaalsContact CB-SD 3.53Å; A555-L635 HydrophobicContact CB-CD2 4.34Å; A555-I647 HydrophobicContact CB-CD1 3.65Å
556R98.3Very high95.8Very high0 Ų030.8 Ų30.80%016%0.16CC..Hα-helixtrans-64.9-39.1175.6-72.5-179.8179.1-160.55.3112.8I442 T478 V552 I554 M559 F560 L635 N636 E638I442-R556 HydrophobicContact CB-CB 4.43Å; I442-R556 HydrophobicContact CG2-CB 3.93Å; T478-R556 PolarHBondContact O-NH1 3.3Å; T478-R556 PolarHBondContact O-NH2 3.1Å; V552-R556 WeakPolarHBondContact O-CG 3.18Å; V552-R556 PolarHBondContact O-N 3.35Å; I554-R556 VanDerWaalsContact C-N 3.33Å; I554-R556 PolarHBondContact O-N 2.95Å; R556-M559 HydrophobicContact CB-CE 4.46Å; R556-M559 HydrophobicContact CG-CE 3.98Å; R556-F560 WeakPolarHBondContact O-CB 3.35Å; R556-F560 PolarHBondContact O-N 3.24Å; R556-L635 PolarHBondContact NE-O 3.22Å; R556-L635 VanDerWaalsContact NE-O 3.08Å; R556-L635 PolarHBondContact NH2-O 3.29Å; R556-N636 VanDerWaalsContact CZ-O 3.32Å; R556-N636 PolarHBondContact NH1-O 3.42Å; R556-N636 PolarHBondContact NH2-O 2.94Å; R556-E638 PolarHBondContact NH2-O 2.8Å
557M97.9Very high95.3Very high26 Ų2632 Ų3213%0.12817%0.17CC..Hα-helixtrans-63.8-42.6171.9-71.4175.97300112.3P37 I442 V460 Y482 L553 I554 F560 K561 W573P37-M557 HydrophobicContact CG-CE 4.34Å; P37-M557 HydrophobicContact CG-SD 3.68Å; I442-M557 HydrophobicContact CD1-CG 4.01Å; V460-M557 HydrophobicContact CG1-CE 4.28Å; V460-M557 HydrophobicContact CG1-CG 4.29Å; Y482-M557 HydrophobicContact CD1-SD 4.05Å; Y482-M557 HydrophobicContact CE1-CG 3.63Å; Y482-M557 HydrophobicContact CE1-SD 3.49Å; Y482-M557 WeakPolarHBondContact CE1-SD 3.45Å; Y482-M557 HydrophobicContact CE2-CG 4.49Å; Y482-M557 WeakPolarHBondContact OH-CG 3.4Å; L553-M557 WeakPolarHBondContact O-CG 3.27Å; L553-M557 PolarHBondContact O-N 2.94Å; L553-M557 VanDerWaalsContact O-N 3.13Å; I554-M557 HydrophobicContact CD1-SD 4.2Å; I554-M557 PolarHBondContact O-N 2.68Å; M557-F560 PolarHBondContact O-N 2.94Å; M557-K561 WeakPolarHBondContact O-CG 3.29Å; M557-K561 PolarHBondContact O-N 2.76Å; M557-W573 HydrophobicContact CB-CH2 3.98Å; M557-W573 HydrophobicContact CE-CH2 4.4Å; M557-W573 HydrophobicContact CE-CZ2 4.2Å
558A97.5Very high94.9Very high0 Ų033.9 Ų33.90%018%0.183CC..Hα-helixtrans-63.1-46.917900000110.8I554 A555 F560 K561 A562 V570 W573 L618I554-A558 WeakPolarHBondContact O-CB 3.02Å; I554-A558 PolarHBondContact O-N 2.72Å; A555-A558 PolarHBondContact O-N 3.09Å; A558-F560 PolarHBondContact O-N 3.24Å; A558-K561 WeakPolarHBondContact O-CB 3.31Å; A558-K561 PolarHBondContact O-N 3.49Å; A558-A562 WeakPolarHBondContact O-CB 3.1Å; A558-A562 PolarHBondContact O-N 3.48Å; A558-V570 HydrophobicContact CB-CG1 3.95Å; A558-V570 WeakPolarHBondContact O-CG1 3.31Å; A558-W573 HydrophobicContact CB-CZ3 3.97Å; A558-L618 HydrophobicContact CB-CD1 4.35Å; A558-L618 HydrophobicContact CB-CD2 3.94Å
559M95.8Very high94.8Very high2 Ų234.2 Ų34.21%0.0119%0.187CC..Hα-helixtrans-60-45175-73.8-167.5-62.600112.5A555 R556 K561 A562 E563 M612 F617 R632 L635 N636A555-M559 WeakPolarHBondContact O-CG 3.49Å; A555-M559 PolarHBondContact O-N 3.1Å; R556-M559 HydrophobicContact CB-CE 4.46Å; R556-M559 HydrophobicContact CG-CE 3.98Å; M559-K561 VanDerWaalsContact C-N 3.31Å; M559-K561 PolarHBondContact O-N 3.43Å; M559-A562 CarbonylContact O-C 3.57Å; M559-A562 WeakPolarHBondContact O-CB 3.41Å; M559-A562 PolarHBondContact O-N 2.98Å; M559-A562 VanDerWaalsContact O-N 3.12Å; M559-E563 PolarHBondContact O-N 2.89Å; M559-M612 HydrophobicContact CG-CE 4.27Å; M559-F617 HydrophobicContact CG-CB 3.95Å; M559-F617 HydrophobicContact SD-CB 3.97Å; M559-F617 HydrophobicContact SD-CD1 3.8Å; M559-F617 HydrophobicContact SD-CG 4.07Å; M559-R632 HydrophobicContact CG-CG 4.29Å; M559-R632 HydrophobicContact SD-CB 3.95Å; M559-R632 HydrophobicContact SD-CG 3.68Å; M559-L635 HydrophobicContact CE-CB 3.8Å; M559-L635 HydrophobicContact CE-CD2 3.32Å; M559-L635 HydrophobicContact CE-CG 3.5Å; M559-L635 VanDerWaalsContact CE-CG 3.5Å; M559-L635 HydrophobicContact SD-CB 4.13Å; M559-L635 HydrophobicContact SD-CD2 3.51Å; M559-L635 VanDerWaalsContact SD-CD2 3.51Å; M559-L635 HydrophobicContact SD-CG 4.14Å; M559-N636 VanDerWaalsContact CE-OD1 3.22Å; M559-N636 WeakPolarHBondContact CE-OD1 3.42Å
560F96Very high94.6Very high78 Ų7834.3 Ų34.334%0.34219%0.188SC..Hα-helixtrans-61.4-40.8177.9-173.1-90.7000111.4I442 R556 M557 A558 A562 E563I442-F560 HydrophobicContact CD1-CB 3.9Å; I442-F560 HydrophobicContact CD1-CG 4.18Å; I442-F560 HydrophobicContact CG1-CD2 4.44Å; I442-F560 HydrophobicContact CG1-CG 4.5Å; R556-F560 WeakPolarHBondContact O-CB 3.35Å; R556-F560 PolarHBondContact O-N 3.24Å; M557-F560 PolarHBondContact O-N 2.94Å; A558-F560 PolarHBondContact O-N 3.24Å; F560-A562 VanDerWaalsContact C-N 3.35Å; F560-E563 PolarHBondContact O-N 3.34Å
561K95.6Very high94.5Very high79 Ų7935.4 Ų35.434%0.34319%0.193SC..Hα-helixtrans-63.3-40.8172.4-74.3-179.6174.6-590112.1M557 A558 M559 E563 T564 T565 V570 W573M557-K561 WeakPolarHBondContact O-CG 3.29Å; M557-K561 PolarHBondContact O-N 2.76Å; A558-K561 WeakPolarHBondContact O-CB 3.31Å; A558-K561 PolarHBondContact O-N 3.49Å; M559-K561 VanDerWaalsContact C-N 3.31Å; M559-K561 PolarHBondContact O-N 3.43Å; K561-E563 PolarHBondContact O-N 3.08Å; K561-E563 VanDerWaalsContact O-N 3.07Å; K561-T564 PolarHBondContact O-N 3.29Å; K561-T564 VanDerWaalsContact O-N 3.08Å; K561-T564 PolarHBondContact O-OG1 3.07Å; K561-T565 VanDerWaalsContact O-CB 3.28Å; K561-T565 WeakPolarHBondContact O-CB 3.2Å; K561-T565 PolarHBondContact O-N 2.76Å; K561-T565 PolarHBondContact O-OG1 2.68Å; K561-V570 HydrophobicContact CB-CG2 4Å; K561-W573 HydrophobicContact CD-CD2 3.94Å; K561-W573 HydrophobicContact CD-CE3 4.13Å; K561-W573 HydrophobicContact CD-CG 4.4Å; K561-W573 HydrophobicContact CD-CZ2 4.32Å; K561-W573 HydrophobicContact CD-CZ3 4.41Å
562A93.6Very high94.3Very high16 Ų1641.6 Ų41.613%0.13222%0.216CC..THydrogen-bonded Turntrans-691.3179.200000114.5A558 M559 F560 V570 L618 R632A558-A562 WeakPolarHBondContact O-CB 3.1Å; A558-A562 PolarHBondContact O-N 3.48Å; M559-A562 CarbonylContact O-C 3.57Å; M559-A562 WeakPolarHBondContact O-CB 3.41Å; M559-A562 PolarHBondContact O-N 2.98Å; M559-A562 VanDerWaalsContact O-N 3.12Å; F560-A562 VanDerWaalsContact C-N 3.35Å; A562-V570 HydrophobicContact CB-CG1 4.41Å; A562-V570 HydrophobicContact CB-CG2 4.01Å; A562-L618 HydrophobicContact CB-CD2 4.36Å; A562-R632 PolarHBondContact O-NH1 3.39Å; A562-R632 VanDerWaalsContact O-NH1 3.1Å
563E90.3Very high94.3Very high73 Ų7344 Ų4434%0.34123%0.226SC..THydrogen-bonded Turntrans-82.6-22.5167.8-61.6-164.4154.700113M559 F560 K561M559-E563 PolarHBondContact O-N 2.89Å; F560-E563 PolarHBondContact O-N 3.34Å; K561-E563 PolarHBondContact O-N 3.08Å; K561-E563 VanDerWaalsContact O-N 3.07Å
564T88.8Confident94.2Very high128 Ų12844.1 Ų44.179%0.78523%0.226SC*.THydrogen-bonded Turntrans-129.7-13.2-174.155.20000113.7K561K561-T564 PolarHBondContact O-N 3.29Å; K561-T564 VanDerWaalsContact O-N 3.08Å; K561-T564 PolarHBondContact O-OG1 3.07Å
565T88.7Confident94Very high60 Ų6046 Ų4637%0.36824%0.236SC..SBendtrans-117.7145.6-177.7-51.30000109.1K561 D569 V570K561-T565 VanDerWaalsContact O-CB 3.28Å; K561-T565 WeakPolarHBondContact O-CB 3.2Å; K561-T565 PolarHBondContact O-N 2.76Å; K561-T565 PolarHBondContact O-OG1 2.68Å; T565-D569 HydrophobicContact CG2-CB 3.71Å; T565-V570 HydrophobicContact CG2-CG2 4.06Å
566D86.7Confident93.9Very high79 Ų7953.9 Ų53.942%0.42227%0.266SS..  trans-57.3145.3175.5-175.8-97.8000112.2V568 D569 V570D566-V568 VanDerWaalsContact C-N 3.25Å; D566-V568 PolarHBondContact O-N 3.36Å; D566-V568 VanDerWaalsContact OD1-CB 3.25Å; D566-V568 WeakPolarHBondContact OD1-CB 3.48Å; D566-V568 WeakPolarHBondContact OD1-CG2 3.3Å; D566-V568 PolarHBondContact OD1-N 2.77Å; D566-D569 PolarHBondContact O-N 2.6Å; D566-D569 VanDerWaalsContact O-N 3.15Å; D566-V570 WeakPolarHBondContact O-CG2 3.27Å; D566-V570 PolarHBondContact O-N 2.88Å; D566-V570 VanDerWaalsContact O-N 3.09Å
567S86.3Confident93.8Very high35 Ų3555.4 Ų55.425%0.24527%0.273CS..Hα-helixtrans-56.6-38.9-177.765.10000112.5D569 V570 L571S567-D569 PolarHBondContact O-N 3.36Å; S567-V570 PolarHBondContact O-N 2.82Å; S567-L571 VanDerWaalsContact O-CG 3.3Å; S567-L571 WeakPolarHBondContact O-CG 3.44Å; S567-L571 PolarHBondContact O-N 2.96Å
568V90.8Very high93.8Very high64 Ų6454.2 Ų54.239%0.38827%0.267SS..Hα-helixtrans-67.6-38.7-178.4-172.10000110.8D566 L571 R572D566-V568 VanDerWaalsContact C-N 3.25Å; D566-V568 PolarHBondContact O-N 3.36Å; D566-V568 VanDerWaalsContact OD1-CB 3.25Å; D566-V568 WeakPolarHBondContact OD1-CB 3.48Å; D566-V568 WeakPolarHBondContact OD1-CG2 3.3Å; D566-V568 PolarHBondContact OD1-N 2.77Å; V568-L571 PolarHBondContact O-N 2.88Å; V568-R572 WeakPolarHBondContact O-CG 3.1Å; V568-R572 PolarHBondContact O-N 2.83Å
569D94.5Very high93.7Very high78 Ų7855.8 Ų55.842%0.41728%0.275SS..Hα-helixtrans-71.6-33.5178.2-75.1-22.6000112.4T565 D566 S567 R572 W573T565-D569 HydrophobicContact CG2-CB 3.71Å; D566-D569 PolarHBondContact O-N 2.6Å; D566-D569 VanDerWaalsContact O-N 3.15Å; S567-D569 PolarHBondContact O-N 3.36Å; D569-R572 PolarHBondContact O-N 2.91Å; D569-R572 IonicContact OD1-CZ 3.68Å; D569-R572 IonicContact OD1-NH1 3.85Å; D569-R572 PolarHBondContact OD1-NH1 3.21Å; D569-W573 WeakPolarHBondContact O-CB 3.17Å; D569-W573 PolarHBondContact O-N 3.37Å
570V95.7Very high93.7Very high2 Ų260.9 Ų60.91%0.01230%0.297CS..Hα-helixtrans-65.7-41.6171.8177.80000111.1A558 K561 A562 T565 D566 S567 W573 L574 L618A558-V570 HydrophobicContact CB-CG1 3.95Å; A558-V570 WeakPolarHBondContact O-CG1 3.31Å; K561-V570 HydrophobicContact CB-CG2 4Å; A562-V570 HydrophobicContact CB-CG1 4.41Å; A562-V570 HydrophobicContact CB-CG2 4.01Å; T565-V570 HydrophobicContact CG2-CG2 4.06Å; D566-V570 WeakPolarHBondContact O-CG2 3.27Å; D566-V570 PolarHBondContact O-N 2.88Å; D566-V570 VanDerWaalsContact O-N 3.09Å; S567-V570 PolarHBondContact O-N 2.82Å; V570-W573 WeakPolarHBondContact O-CB 3.4Å; V570-W573 PolarHBondContact O-N 3.01Å; V570-L574 WeakPolarHBondContact O-CB 2.96Å; V570-L574 PolarHBondContact O-N 2.91Å; V570-L618 HydrophobicContact CG1-CD2 3.87Å
571L95Very high93.7Very high22 Ų2257.1 Ų57.112%0.11528%0.281CS..Hα-helixtrans-63-44.8174.8-68.8167.2000111.5S567 V568 W573 L574 D575 R613 L618 Q619S567-L571 VanDerWaalsContact O-CG 3.3Å; S567-L571 WeakPolarHBondContact O-CG 3.44Å; S567-L571 PolarHBondContact O-N 2.96Å; V568-L571 PolarHBondContact O-N 2.88Å; L571-W573 VanDerWaalsContact C-N 3.3Å; L571-W573 PolarHBondContact O-N 2.87Å; L571-L574 WeakPolarHBondContact O-CB 3.39Å; L571-L574 PolarHBondContact O-N 2.92Å; L571-D575 VanDerWaalsContact O-CG 3.28Å; L571-D575 PolarHBondContact O-N 3.47Å; L571-R613 HydrophobicContact CD2-CB 3.88Å; L571-R613 HydrophobicContact CD2-CG 3.87Å; L571-L618 HydrophobicContact CD2-CB 4.17Å; L571-L618 HydrophobicContact CD2-CD1 3.83Å; L571-Q619 VanDerWaalsContact CD1-NE2 3.35Å
572R95.7Very high93.8Very high130 Ų13053.4 Ų53.449%0.49127%0.265SS..Hα-helixtrans-60.7-39.3174-72.6174.7-175.2127.13.4112.2V568 D569 R576V568-R572 WeakPolarHBondContact O-CG 3.1Å; V568-R572 PolarHBondContact O-N 2.83Å; D569-R572 PolarHBondContact O-N 2.91Å; D569-R572 IonicContact OD1-CZ 3.68Å; D569-R572 IonicContact OD1-NH1 3.85Å; D569-R572 PolarHBondContact OD1-NH1 3.21Å; R572-R576 WeakPolarHBondContact O-CB 3.45Å; R572-R576 WeakPolarHBondContact O-CG 3.24Å; R572-R576 PolarHBondContact O-N 3.26Å
573W96.8Very high93.8Very high52 Ų5256.5 Ų56.520%0.19728%0.276CS..Hα-helixtrans-62.3-46.5175.3170.282.2000110.8I554 M557 A558 K561 D569 V570 L571 R576 Q577I554-W573 HydrophobicContact CD1-CH2 4.3Å; I554-W573 HydrophobicContact CG2-CH2 4.39Å; I554-W573 HydrophobicContact CG2-CZ3 4.38Å; M557-W573 HydrophobicContact CB-CH2 3.98Å; M557-W573 HydrophobicContact CE-CH2 4.4Å; M557-W573 HydrophobicContact CE-CZ2 4.2Å; A558-W573 HydrophobicContact CB-CZ3 3.97Å; K561-W573 HydrophobicContact CD-CD2 3.94Å; K561-W573 HydrophobicContact CD-CE3 4.13Å; K561-W573 HydrophobicContact CD-CG 4.4Å; K561-W573 HydrophobicContact CD-CZ2 4.32Å; K561-W573 HydrophobicContact CD-CZ3 4.41Å; D569-W573 WeakPolarHBondContact O-CB 3.17Å; D569-W573 PolarHBondContact O-N 3.37Å; V570-W573 WeakPolarHBondContact O-CB 3.4Å; V570-W573 PolarHBondContact O-N 3.01Å; L571-W573 VanDerWaalsContact C-N 3.3Å; L571-W573 PolarHBondContact O-N 2.87Å; W573-R576 PolarHBondContact O-N 2.8Å; W573-Q577 HydrophobicContact CD2-CG 4.16Å; W573-Q577 HydrophobicContact CH2-CG 4.22Å; W573-Q577 HydrophobicContact CZ2-CG 3.76Å; W573-Q577 WeakPolarHBondContact O-CG 3.45Å; W573-Q577 PolarHBondContact O-N 2.96Å
574L96.8Very high93.9Very high1 Ų156 Ų561%0.00527%0.273CS..Hα-helixtrans-60.2-47.7178-172.863.5000111.5I554 V570 L571 R576 Q577 L578 M609 M612 R613 L618I554-L574 HydrophobicContact CG2-CD1 3.37Å; V570-L574 WeakPolarHBondContact O-CB 2.96Å; V570-L574 PolarHBondContact O-N 2.91Å; L571-L574 WeakPolarHBondContact O-CB 3.39Å; L571-L574 PolarHBondContact O-N 2.92Å; L574-R576 VanDerWaalsContact C-N 3.33Å; L574-R576 PolarHBondContact O-N 2.79Å; L574-Q577 WeakPolarHBondContact O-CB 3.36Å; L574-Q577 PolarHBondContact O-N 2.87Å; L574-Q577 VanDerWaalsContact O-N 3.11Å; L574-L578 PolarHBondContact O-N 2.82Å; L574-M609 HydrophobicContact CD1-SD 3.57Å; L574-M609 VanDerWaalsContact CD1-SD 3.57Å; L574-M609 HydrophobicContact CG-SD 4.25Å; L574-M612 HydrophobicContact CD2-CB 4.49Å; L574-M612 HydrophobicContact CD2-CG 4.23Å; L574-R613 HydrophobicContact CD2-CG 3.71Å; L574-L618 HydrophobicContact CD2-CD1 3.91Å
575D95.6Very high94.2Very high40 Ų4050.3 Ų50.321%0.21424%0.238CC..Hα-helixtrans-59.2-44177.3-70-18.3000111L571 Q577 L578 I579 R613L571-D575 VanDerWaalsContact O-CG 3.28Å; L571-D575 PolarHBondContact O-N 3.47Å; D575-Q577 PolarHBondContact O-N 3.24Å; D575-L578 PolarHBondContact O-N 2.57Å; D575-I579 WeakPolarHBondContact O-CD1 3.38Å; D575-I579 VanDerWaalsContact O-CG1 3.23Å; D575-I579 WeakPolarHBondContact O-CG1 3.15Å; D575-I579 PolarHBondContact O-N 2.98Å; D575-R613 WeakPolarHBondContact OD1-CD 3.38Å; D575-R613 IonicContact OD1-CZ 3.1Å; D575-R613 IonicContact OD1-NE 3.17Å; D575-R613 PolarHBondContact OD1-NE 3.32Å; D575-R613 IonicContact OD1-NH2 2.89Å; D575-R613 IonicContact OD2-CZ 3.61Å; D575-R613 IonicContact OD2-NE 2.79Å; D575-R613 IonicContact OD2-NH2 3.72Å; D575-R613 PolarHBondContact OD2-NH2 2.86Å
576R96.1Very high94.5Very high166 Ų16648.1 Ų48.163%0.62623%0.227SC*.Hα-helixtrans-63.4-37.6175.2-73172.9-170.9-120.46.8112.7R572 W573 L574 K580R572-R576 WeakPolarHBondContact O-CB 3.45Å; R572-R576 WeakPolarHBondContact O-CG 3.24Å; R572-R576 PolarHBondContact O-N 3.26Å; W573-R576 PolarHBondContact O-N 2.8Å; L574-R576 VanDerWaalsContact C-N 3.33Å; L574-R576 PolarHBondContact O-N 2.79Å; R576-K580 WeakPolarHBondContact O-CB 3.4Å; R576-K580 VanDerWaalsContact O-CG 3.23Å; R576-K580 WeakPolarHBondContact O-CG 3.38Å; R576-K580 PolarHBondContact O-N 3.24Å; R576-K580 VanDerWaalsContact O-N 3.11Å
577Q96.5Very high94.8Very high32 Ų3250.2 Ų50.215%0.1524%0.238CC..Hα-helixtrans-64-45.8174.3-64.8-48.9-65.400110.3V35 W573 L574 D575 K580 L581V35-Q577 HydrophobicContact CG1-CB 4.08Å; V35-Q577 WeakPolarHBondContact CG1-O 3.42Å; W573-Q577 HydrophobicContact CD2-CG 4.16Å; W573-Q577 HydrophobicContact CH2-CG 4.22Å; W573-Q577 HydrophobicContact CZ2-CG 3.76Å; W573-Q577 WeakPolarHBondContact O-CG 3.45Å; W573-Q577 PolarHBondContact O-N 2.96Å; L574-Q577 WeakPolarHBondContact O-CB 3.36Å; L574-Q577 PolarHBondContact O-N 2.87Å; L574-Q577 VanDerWaalsContact O-N 3.11Å; D575-Q577 PolarHBondContact O-N 3.24Å; Q577-K580 PolarHBondContact O-N 3.39Å; Q577-L581 WeakPolarHBondContact O-CB 3.49Å; Q577-L581 PolarHBondContact O-N 2.87Å
578L97.2Very high95.2Very high2 Ų250.7 Ų50.71%0.0124%0.235CC..Hα-helixtrans-61.9-47.5179.8-179.760.1000111.9L574 D575 K580 L581 C582 Y605 P606 M609 F780 L784L574-L578 PolarHBondContact O-N 2.82Å; D575-L578 PolarHBondContact O-N 2.57Å; L578-K580 PolarHBondContact O-N 2.92Å; L578-L581 PolarHBondContact O-N 2.84Å; L578-C582 WeakPolarHBondContact O-CB 3.42Å; L578-C582 PolarHBondContact O-N 3.24Å; L578-C582 PolarHBondContact O-SG 2.85Å; L578-C582 VanDerWaalsContact O-SG 3.37Å; L578-Y605 HydrophobicContact CD1-CD1 3.73Å; L578-Y605 HydrophobicContact CD1-CE1 3.77Å; L578-P606 HydrophobicContact CD1-CB 4.21Å; L578-P606 HydrophobicContact CD1-CG 4.16Å; L578-P606 HydrophobicContact CD2-CB 4.47Å; L578-M609 HydrophobicContact CD1-CG 4.09Å; L578-M609 HydrophobicContact CD2-CB 3.86Å; L578-M609 HydrophobicContact CD2-CG 4.28Å; L578-F780 HydrophobicContact CD2-CE1 3.88Å; L578-F780 HydrophobicContact CD2-CZ 3.53Å; L578-L784 HydrophobicContact CD1-CD2 4.33Å; L578-L784 HydrophobicContact CD2-CD1 4.09Å; L578-L784 HydrophobicContact CD2-CD2 3.75Å; L578-L784 HydrophobicContact CG-CD1 3.88Å; L578-L784 HydrophobicContact CG-CD2 3.95Å
579I96.1Very high95.4Very high33 Ų3356.4 Ų56.417%0.16925%0.249CC..Hα-helixtrans-58.6-47.5178.3-66.6157.6000110.6D575 L581 C582 H583 L784 L787D575-I579 WeakPolarHBondContact O-CD1 3.38Å; D575-I579 VanDerWaalsContact O-CG1 3.23Å; D575-I579 WeakPolarHBondContact O-CG1 3.15Å; D575-I579 PolarHBondContact O-N 2.98Å; I579-L581 VanDerWaalsContact C-N 3.33Å; I579-L581 PolarHBondContact O-N 2.84Å; I579-C582 PolarHBondContact O-N 3.43Å; I579-H583 WeakPolarHBondContact O-CB 3.33Å; I579-H583 PolarHBondContact O-N 2.76Å; I579-L784 HydrophobicContact CG1-CD1 3.88Å; I579-L787 HydrophobicContact CD1-CB 4.29Å; I579-L787 HydrophobicContact CD1-CD1 3.57Å; I579-L787 HydrophobicContact CG1-CB 4.2Å; I579-L787 HydrophobicContact CG1-CD1 4.2Å; I579-L787 HydrophobicContact CG2-CB 4.28Å
580K95.7Very high95.3Very high108 Ų10860.5 Ų60.547%0.4726%0.263SS..Hα-helixtrans-62.4-40179.3-73.7177.7178.3-169.10112.5V35 R576 Q577 L578 H583 K584V35-K580 HydrophobicContact CG1-CB 4.01Å; V35-K580 HydrophobicContact CG2-CB 3.69Å; R576-K580 WeakPolarHBondContact O-CB 3.4Å; R576-K580 VanDerWaalsContact O-CG 3.23Å; R576-K580 WeakPolarHBondContact O-CG 3.38Å; R576-K580 PolarHBondContact O-N 3.24Å; R576-K580 VanDerWaalsContact O-N 3.11Å; Q577-K580 PolarHBondContact O-N 3.39Å; L578-K580 PolarHBondContact O-N 2.92Å; K580-H583 PolarHBondContact O-N 3.08Å; K580-K584 WeakPolarHBondContact O-CB 3.41Å; K580-K584 PolarHBondContact O-N 3.49Å
581L96.3Very high95.1Very high0 Ų065.3 Ų65.30%029%0.289CS..Hα-helixtrans-65.6-46.8176.9174.1147.3000110.6V35 V36 F545 Q577 L578 I579 H583 K584 F585 F602 Y605V35-L581 HydrophobicContact CB-CB 4.24Å; V35-L581 HydrophobicContact CG1-CB 4.4Å; V35-L581 HydrophobicContact CG2-CB 4.49Å; V36-L581 HydrophobicContact CG2-CD1 3.51Å; F545-L581 HydrophobicContact CZ-CD1 4.15Å; Q577-L581 WeakPolarHBondContact O-CB 3.49Å; Q577-L581 PolarHBondContact O-N 2.87Å; L578-L581 PolarHBondContact O-N 2.84Å; I579-L581 VanDerWaalsContact C-N 3.33Å; I579-L581 PolarHBondContact O-N 2.84Å; L581-H583 VanDerWaalsContact C-N 3.32Å; L581-H583 PolarHBondContact O-N 2.77Å; L581-K584 PolarHBondContact O-N 2.9Å; L581-K584 VanDerWaalsContact O-N 3.16Å; L581-F585 HydrophobicContact CG-CD2 4.22Å; L581-F585 WeakPolarHBondContact O-CD2 3.27Å; L581-F585 PolarHBondContact O-N 3.11Å; L581-F602 HydrophobicContact CD1-CD1 4.41Å; L581-F602 HydrophobicContact CD1-CE1 4.3Å; L581-F602 HydrophobicContact CD2-CD1 3.91Å; L581-F602 HydrophobicContact CD2-CE1 4.42Å; L581-F602 HydrophobicContact CG-CD1 4.37Å; L581-F602 HydrophobicContact CG-CE1 4.4Å; L581-Y605 HydrophobicContact CD1-CD1 4.15Å; L581-Y605 HydrophobicContact CD1-CE1 3.79Å; L581-Y605 HydrophobicContact CD2-CD1 3.86Å; L581-Y605 HydrophobicContact CD2-CE1 4.11Å; L581-Y605 HydrophobicContact CG-CE1 4.47Å
582C96.3Very high95Very high0 Ų066.5 Ų66.50%030%0.296CS..Hα-helixtrans-61.6-39.6176.3-72.10000112.3L578 I579 G586 F596 A788L578-C582 WeakPolarHBondContact O-CB 3.42Å; L578-C582 PolarHBondContact O-N 3.24Å; L578-C582 PolarHBondContact O-SG 2.85Å; L578-C582 VanDerWaalsContact O-SG 3.37Å; I579-C582 PolarHBondContact O-N 3.43Å; C582-G586 VanDerWaalsContact O-CA 3.26Å; C582-G586 WeakPolarHBondContact O-CA 3.48Å; C582-G586 PolarHBondContact O-N 2.76Å; C582-F596 HydrophobicContact CB-CE2 4.08Å; C582-F596 HydrophobicContact CB-CZ 3.69Å; C582-A788 HydrophobicContact CB-CB 3.78Å
583H93.8Very high94.9Very high81 Ų8162.3 Ų62.338%0.37529%0.285SS..Hα-helixtrans-64.5-39.1174.1-179.9-73.8000111.9I579 K580 L581 Y588 A788I579-H583 WeakPolarHBondContact O-CB 3.33Å; I579-H583 PolarHBondContact O-N 2.76Å; K580-H583 PolarHBondContact O-N 3.08Å; L581-H583 VanDerWaalsContact C-N 3.32Å; L581-H583 PolarHBondContact O-N 2.77Å; H583-Y588 PolarHBondContact CD2-OH 2.86Å; H583-Y588 PolarHBondContact CE1-OH 2.79Å; H583-Y588 VanDerWaalsContact CG-OH 3.24Å; H583-Y588 PolarHBondContact NE2-OH 3.34Å; H583-Y588 VanDerWaalsContact NE2-OH 3.15Å; H583-Y588 PolarHBondContact O-OH 2.79Å; H583-A788 PolarHBondContact CD2-O 2.8Å
584K93Very high94.8Very high64 Ų6465.3 Ų65.328%0.27831%0.309SS..Hα-helixtrans-73.8-40.3-179.1176.265.3-177.6-174.90113.3Q33 K580 L581Q33-K584 HydrophobicContact CB-CD 4.43Å; Q33-K584 WeakPolarHBondContact O-CG 3.23Å; K580-K584 WeakPolarHBondContact O-CB 3.41Å; K580-K584 PolarHBondContact O-N 3.49Å; L581-K584 PolarHBondContact O-N 2.9Å; L581-K584 VanDerWaalsContact O-N 3.16Å
585F94.8Very high94.7Very high8 Ų866.5 Ų66.54%0.03532%0.318CS..Hα-helixtrans-112.1-9.6-167.9-69.3-78.8000114.4W21 L538 M541 I542 L581 P599 F602W21-F585 HydrophobicContact CH2-CD2 4.42Å; W21-F585 AromaticContact CH2-CE1 3.84Å; W21-F585 HydrophobicContact CH2-CE1 3.84Å; W21-F585 AromaticContact CH2-CE2 3.61Å; W21-F585 HydrophobicContact CH2-CE2 3.61Å; W21-F585 AromaticContact CH2-CZ 3.26Å; W21-F585 HydrophobicContact CH2-CZ 3.26Å; W21-F585 HydrophobicContact CZ2-CE2 4.09Å; W21-F585 HydrophobicContact CZ2-CZ 4.03Å; W21-F585 HydrophobicContact CZ3-CE1 4.17Å; W21-F585 AromaticContact CZ3-CZ 3.94Å; W21-F585 HydrophobicContact CZ3-CZ 3.94Å; L538-F585 HydrophobicContact CD1-CD1 4.39Å; L538-F585 HydrophobicContact CD1-CE1 4.04Å; M541-F585 HydrophobicContact CE-CE1 3.67Å; M541-F585 HydrophobicContact CE-CZ 3.78Å; I542-F585 HydrophobicContact CG1-CD1 3.89Å; I542-F585 HydrophobicContact CG1-CE1 4.3Å; L581-F585 HydrophobicContact CG-CD2 4.22Å; L581-F585 WeakPolarHBondContact O-CD2 3.27Å; L581-F585 PolarHBondContact O-N 3.11Å; F585-P599 VanDerWaalsContact O-CD 3.27Å; F585-P599 WeakPolarHBondContact O-CD 3.47Å; F585-F602 HydrophobicContact CB-CD1 4.46Å; F585-F602 HydrophobicContact CB-CE1 4.16Å; F585-F602 HydrophobicContact CB-CZ 4.19Å; F585-F602 HydrophobicContact CD1-CE1 4.29Å; F585-F602 HydrophobicContact CD1-CE2 4.27Å; F585-F602 AromaticContact CD1-CZ 3.72Å; F585-F602 HydrophobicContact CD1-CZ 3.72Å; F585-F602 AromaticContact CD2-CE1 3.97Å; F585-F602 HydrophobicContact CD2-CE1 3.97Å; F585-F602 HydrophobicContact CD2-CZ 4.21Å; F585-F602 HydrophobicContact CE1-CZ 4.06Å; F585-F602 HydrophobicContact CE2-CE1 4.45Å; F585-F602 AromaticContact CG-CE1 3.89Å; F585-F602 HydrophobicContact CG-CE1 3.89Å; F585-F602 HydrophobicContact CG-CE2 4.46Å; F585-F602 AromaticContact CG-CZ 3.78Å; F585-F602 HydrophobicContact CG-CZ 3.78Å; F585-F602 HydrophobicContact CZ-CZ 4.49Å
586G94.3Very high94.7Very high14 Ų1464.9 Ų64.914%0.14431%0.309CS..  trans-75.2146.117300000111.8C582 Y588 R597C582-G586 VanDerWaalsContact O-CA 3.26Å; C582-G586 WeakPolarHBondContact O-CA 3.48Å; C582-G586 PolarHBondContact O-N 2.76Å; G586-Y588 WeakPolarHBondContact O-CD1 3.43Å; G586-Y588 WeakPolarHBondContact O-CE1 3.26Å; G586-R597 CarbonylContact C-O 3.6Å; G586-R597 VanDerWaalsContact CA-O 3.29Å; G586-R597 WeakPolarHBondContact CA-O 3.35Å
587D93.8Very high94.7Very high122 Ų12265 Ų6565%0.65231%0.309SS*.BIsolated β-bridgetrans-95.9127164.6-172.39000108.5F596 R597D587-F596 WeakPolarHBondContact O-CA 3.45Å; D587-R597 PolarHBondContact N-O 2.96Å; D587-R597 PolarHBondContact O-N 2.71Å
588Y95.3Very high94.7Very high45 Ų4565.2 Ų65.218%0.17631%0.311CS..  trans-164.7157.1-177.154.9-89000112.2H583 G586 F596 A788 V789H583-Y588 PolarHBondContact CD2-OH 2.86Å; H583-Y588 PolarHBondContact CE1-OH 2.79Å; H583-Y588 VanDerWaalsContact CG-OH 3.24Å; H583-Y588 PolarHBondContact NE2-OH 3.34Å; H583-Y588 VanDerWaalsContact NE2-OH 3.15Å; H583-Y588 PolarHBondContact O-OH 2.79Å; G586-Y588 WeakPolarHBondContact O-CD1 3.43Å; G586-Y588 WeakPolarHBondContact O-CE1 3.26Å; Y588-F596 AromaticContact CD1-CD2 3.8Å; Y588-F596 HydrophobicContact CD1-CD2 3.8Å; Y588-F596 HydrophobicContact CD1-CE2 4.11Å; Y588-F596 HydrophobicContact CG-CD2 4.25Å; Y588-A788 PolarHBondContact OH-O 3.41Å; Y588-V789 HydrophobicContact CD1-CG1 4.32Å; Y588-V789 HydrophobicContact CD2-CB 3.73Å; Y588-V789 HydrophobicContact CD2-CG1 3.63Å; Y588-V789 HydrophobicContact CE2-CB 4.24Å; Y588-V789 HydrophobicContact CE2-CG1 4.4Å; Y588-V789 HydrophobicContact CG-CB 4.24Å; Y588-V789 HydrophobicContact CG-CG1 3.59Å
589R94.5Very high94.6Very high185 Ų18566.6 Ų66.670%0.69832%0.32SS*.  trans-88.4136.4162.7-62.8174.6-175.1174.80.7108.2D591 D592 S595R589-D591 PolarHBondContact O-N 2.86Å; R589-D592 HydrophobicContact CB-CB 4.06Å; R589-D592 PolarHBondContact O-N 2.81Å; R589-D592 VanDerWaalsContact O-N 3.16Å; R589-S595 PolarHBondContact N-OG 2.7Å
590K91.9Very high94.5Very high164 Ų16467.5 Ų67.571%0.71334%0.338SS*.THydrogen-bonded Turntrans-54137.2178.4-67.5-172.2177.8-173.30110.6D592K590-D592 PolarHBondContact O-N 2.85Å
591D91.3Very high94.5Very high102 Ų10265.3 Ų65.355%0.54533%0.329SS..THydrogen-bonded Turntrans57.516.8177.8-51.2-51.1000114.6R589 P593 V789 S791R589-D591 PolarHBondContact O-N 2.86Å; D591-P593 WeakPolarHBondContact O-CD 3.45Å; D591-V789 PolarHBondContact N-O 3.01Å; D591-S791 PolarHBondContact OD1-N 3.25Å; D591-S791 PolarHBondContact OD1-OG 3.36Å; D591-S791 PolarHBondContact OD2-OG 3.44Å
592D94.1Very high94.5Very high48 Ų4865.3 Ų65.326%0.25733%0.329SS..  trans-118.991.2172.9176.67.2000110.7R589 K590 T594 S595R589-D592 HydrophobicContact CB-CB 4.06Å; R589-D592 PolarHBondContact O-N 2.81Å; R589-D592 VanDerWaalsContact O-N 3.16Å; K590-D592 PolarHBondContact O-N 2.85Å; D592-T594 PolarHBondContact O-N 3.02Å; D592-T594 VanDerWaalsContact O-N 3.14Å; D592-T594 WeakPolarHBondContact OD1-CB 3.49Å; D592-T594 PolarHBondContact OD1-N 3.42Å; D592-T594 PolarHBondContact OD1-OG1 2.97Å; D592-S595 PolarHBondContact O-N 2.91Å; D592-S595 PolarHBondContact O-OG 2.75Å; D592-S595 PolarHBondContact OD1-N 3.09Å; D592-S595 WeakPolarHBondContact OD2-CB 3.4Å
593P92.8Very high94.5Very high41 Ų4167.8 Ų67.827%0.26635%0.346SS..G310 helixtrans-63.8-20.1-178.2-21.632.7000114D591 S595 F596 K785 K786 V789D591-P593 WeakPolarHBondContact O-CD 3.45Å; P593-S595 VanDerWaalsContact C-N 3.31Å; P593-F596 PolarHBondContact O-N 3.39Å; P593-K785 HydrophobicContact CB-CB 4.16Å; P593-K786 HydrophobicContact CB-CG 4.05Å; P593-K786 HydrophobicContact CG-CB 4.4Å; P593-K786 HydrophobicContact CG-CG 3.75Å; P593-V789 HydrophobicContact CB-CG2 4.34Å; P593-V789 HydrophobicContact CG-CG2 3.94Å
594T94.3Very high94.5Very high115 Ų11569 Ų6971%0.70635%0.351SS*.G310 helixtrans-76-24.6-178.972.70000112.1D592 F596D592-T594 PolarHBondContact O-N 3.02Å; D592-T594 VanDerWaalsContact O-N 3.14Å; D592-T594 WeakPolarHBondContact OD1-CB 3.49Å; D592-T594 PolarHBondContact OD1-N 3.42Å; D592-T594 PolarHBondContact OD1-OG1 2.97Å; T594-F596 VanDerWaalsContact C-N 3.3Å
595S95.4Very high94.7Very high26 Ų2666 Ų6618%0.18234%0.338CS..G310 helixtrans-76.4-14.7176.871.80000114R589 D592 P593 R597R589-S595 PolarHBondContact N-OG 2.7Å; D592-S595 PolarHBondContact O-N 2.91Å; D592-S595 PolarHBondContact O-OG 2.75Å; D592-S595 PolarHBondContact OD1-N 3.09Å; D592-S595 WeakPolarHBondContact OD2-CB 3.4Å; P593-S595 VanDerWaalsContact C-N 3.31Å; S595-R597 PolarHBondContact O-N 2.88Å
596F96.1Very high94.9Very high6 Ų665.6 Ų65.63%0.02634%0.336CS..  trans-66.4123.4-171.5-177.9-92.1000113.2C582 D587 Y588 P593 T594 L598 K785 A788 V789C582-F596 HydrophobicContact CB-CE2 4.08Å; C582-F596 HydrophobicContact CB-CZ 3.69Å; D587-F596 WeakPolarHBondContact O-CA 3.45Å; Y588-F596 AromaticContact CD1-CD2 3.8Å; Y588-F596 HydrophobicContact CD1-CD2 3.8Å; Y588-F596 HydrophobicContact CD1-CE2 4.11Å; Y588-F596 HydrophobicContact CG-CD2 4.25Å; P593-F596 PolarHBondContact O-N 3.39Å; T594-F596 VanDerWaalsContact C-N 3.3Å; F596-L598 HydrophobicContact CE1-CD1 4.02Å; F596-L598 HydrophobicContact CE1-CD2 4.34Å; F596-L598 HydrophobicContact CE1-CG 3.69Å; F596-L598 HydrophobicContact CZ-CD1 4.16Å; F596-L598 HydrophobicContact CZ-CD2 3.8Å; F596-L598 HydrophobicContact CZ-CG 3.68Å; F596-K785 HydrophobicContact CB-CB 4.38Å; F596-K785 HydrophobicContact CB-CG 4.06Å; F596-K785 HydrophobicContact CD1-CD 4.45Å; F596-K785 HydrophobicContact CD1-CG 3.61Å; F596-K785 HydrophobicContact CE1-CG 4.35Å; F596-K785 HydrophobicContact CG-CG 4.03Å; F596-A788 HydrophobicContact CD2-CB 4.07Å; F596-A788 HydrophobicContact CE2-CB 3.64Å; F596-A788 HydrophobicContact CZ-CB 4.21Å; F596-V789 HydrophobicContact CB-CG1 4Å; F596-V789 HydrophobicContact CD2-CG1 3.95Å; F596-V789 HydrophobicContact CG-CG1 4.4Å
597R95.7Very high94.9Very high169 Ų16966.3 Ų66.364%0.63834%0.335SS*.BIsolated β-bridgetrans-132.7141174.4-59.9-63.4178.5-156.4-0.8110.4G586 D587 S595G586-R597 CarbonylContact C-O 3.6Å; G586-R597 VanDerWaalsContact CA-O 3.29Å; G586-R597 WeakPolarHBondContact CA-O 3.35Å; D587-R597 PolarHBondContact N-O 2.96Å; D587-R597 PolarHBondContact O-N 2.71Å; S595-R597 PolarHBondContact O-N 2.88Å
598L95.9Very high95Very high36 Ų3661.4 Ų61.419%0.18831%0.308CS..  trans-103.8145.6168-75.6169.3000109.5F596 F602 P606F596-L598 HydrophobicContact CE1-CD1 4.02Å; F596-L598 HydrophobicContact CE1-CD2 4.34Å; F596-L598 HydrophobicContact CE1-CG 3.69Å; F596-L598 HydrophobicContact CZ-CD1 4.16Å; F596-L598 HydrophobicContact CZ-CD2 3.8Å; F596-L598 HydrophobicContact CZ-CG 3.68Å; L598-F602 HydrophobicContact CB-CB 4.23Å; L598-F602 HydrophobicContact CD2-CB 4.26Å; L598-P606 HydrophobicContact CD1-CG 3.53Å
599P95.4Very high95.1Very high31 Ų3159.3 Ų59.320%0.20130%0.3CS..  trans-57.5155.2167-18.729.9000111.3I542 F585 E601 F602 S603I542-P599 HydrophobicContact CD1-CG 4.1Å; I542-P599 HydrophobicContact CG1-CG 4.43Å; I542-P599 HydrophobicContact CG2-CB 3.44Å; I542-P599 VanDerWaalsContact CG2-CB 3.44Å; I542-P599 HydrophobicContact CG2-CG 3.7Å; F585-P599 VanDerWaalsContact O-CD 3.27Å; F585-P599 WeakPolarHBondContact O-CD 3.47Å; P599-E601 PolarHBondContact O-N 2.64Å; P599-E601 VanDerWaalsContact O-N 3.16Å; P599-F602 HydrophobicContact CB-CD2 4.05Å; P599-F602 HydrophobicContact CG-CD2 4.1Å; P599-F602 PolarHBondContact O-N 2.76Å; P599-S603 PolarHBondContact O-N 2.7Å
600G94.2Very high95.2Very high52 Ų5250.6 Ų50.654%0.53627%0.267SS..G310 helixtrans-58.7-30.9-175.600000113.4Q547 F602 S603Q547-G600 PolarHBondContact NE2-O 3.22Å; G600-F602 PolarHBondContact O-N 2.8Å; G600-S603 PolarHBondContact O-N 3.13Å; G600-S603 PolarHBondContact O-OG 2.72Å
601E95.6Very high95.3Very high63 Ų6343.1 Ų43.129%0.29424%0.235SC..G310 helixtrans-67.4-18.3177.5-62.183.5174.800113.2F545 Q547 P599F545-E601 HydrophobicContact CB-CB 4.44Å; F545-E601 WeakPolarHBondContact CD1-O 3.34Å; Q547-E601 VanDerWaalsContact CB-O 3.3Å; Q547-E601 WeakPolarHBondContact CB-O 3.37Å; Q547-E601 WeakPolarHBondContact CG-O 3.28Å; Q547-E601 PolarHBondContact NE2-O 3.36Å; Q547-E601 PolarHBondContact OE1-O 2.75Å; P599-E601 PolarHBondContact O-N 2.64Å; P599-E601 VanDerWaalsContact O-N 3.16Å
602F97.1Very high95.5Very high0 Ų038.2 Ų38.20%021%0.209CC..G310 helixtrans-112.6-3.5-179.2-65.3-98.3000113W21 I542 F545 L581 F585 L598 P599 G600 F604 Y605 P606W21-F602 AromaticContact CH2-CE1 3.82Å; W21-F602 HydrophobicContact CH2-CE1 3.82Å; W21-F602 AromaticContact CH2-CZ 3.63Å; W21-F602 HydrophobicContact CH2-CZ 3.63Å; W21-F602 HydrophobicContact CZ3-CE1 4.47Å; W21-F602 AromaticContact CZ3-CZ 3.88Å; W21-F602 HydrophobicContact CZ3-CZ 3.88Å; I542-F602 HydrophobicContact CB-CE2 4.24Å; I542-F602 HydrophobicContact CG1-CE2 4.21Å; I542-F602 HydrophobicContact CG2-CD2 4.44Å; I542-F602 HydrophobicContact CG2-CE2 3.97Å; F545-F602 HydrophobicContact CB-CD2 4.47Å; F545-F602 HydrophobicContact CB-CE1 4.03Å; F545-F602 HydrophobicContact CB-CE2 3.71Å; F545-F602 HydrophobicContact CB-CZ 3.47Å; F545-F602 VanDerWaalsContact CB-CZ 3.47Å; F545-F602 AromaticContact CD1-CD1 3.29Å; F545-F602 HydrophobicContact CD1-CD1 3.29Å; F545-F602 HydrophobicContact CD1-CD2 4Å; F545-F602 AromaticContact CD1-CE1 3.26Å; F545-F602 HydrophobicContact CD1-CE1 3.26Å; F545-F602 AromaticContact CD1-CE2 3.94Å; F545-F602 HydrophobicContact CD1-CE2 3.94Å; F545-F602 AromaticContact CD1-CG 3.71Å; F545-F602 HydrophobicContact CD1-CG 3.71Å; F545-F602 AromaticContact CD1-CZ 3.6Å; F545-F602 HydrophobicContact CD1-CZ 3.6Å; F545-F602 AromaticContact CD2-CE1 3.89Å; F545-F602 HydrophobicContact CD2-CE1 3.89Å; F545-F602 HydrophobicContact CD2-CZ 4.12Å; F545-F602 AromaticContact CE1-CD1 3.32Å; F545-F602 HydrophobicContact CE1-CD1 3.32Å; F545-F602 AromaticContact CE1-CE1 3.53Å; F545-F602 HydrophobicContact CE1-CE1 3.53Å; F545-F602 HydrophobicContact CE1-CG 4.02Å; F545-F602 HydrophobicContact CE1-CZ 4.33Å; F545-F602 HydrophobicContact CE2-CE1 4.12Å; F545-F602 HydrophobicContact CG-CD1 4Å; F545-F602 AromaticContact CG-CE1 3.45Å; F545-F602 HydrophobicContact CG-CE1 3.45Å; F545-F602 VanDerWaalsContact CG-CE1 3.45Å; F545-F602 HydrophobicContact CG-CE2 4.02Å; F545-F602 AromaticContact CG-CZ 3.46Å; F545-F602 HydrophobicContact CG-CZ 3.46Å; F545-F602 VanDerWaalsContact CG-CZ 3.46Å; F545-F602 HydrophobicContact CZ-CD1 4.06Å; F545-F602 AromaticContact CZ-CE1 3.95Å; F545-F602 HydrophobicContact CZ-CE1 3.95Å; L581-F602 HydrophobicContact CD1-CD1 4.41Å; L581-F602 HydrophobicContact CD1-CE1 4.3Å; L581-F602 HydrophobicContact CD2-CD1 3.91Å; L581-F602 HydrophobicContact CD2-CE1 4.42Å; L581-F602 HydrophobicContact CG-CD1 4.37Å; L581-F602 HydrophobicContact CG-CE1 4.4Å; F585-F602 HydrophobicContact CB-CD1 4.46Å; F585-F602 HydrophobicContact CB-CE1 4.16Å; F585-F602 HydrophobicContact CB-CZ 4.19Å; F585-F602 HydrophobicContact CD1-CE1 4.29Å; F585-F602 HydrophobicContact CD1-CE2 4.27Å; F585-F602 AromaticContact CD1-CZ 3.72Å; F585-F602 HydrophobicContact CD1-CZ 3.72Å; F585-F602 AromaticContact CD2-CE1 3.97Å; F585-F602 HydrophobicContact CD2-CE1 3.97Å; F585-F602 HydrophobicContact CD2-CZ 4.21Å; F585-F602 HydrophobicContact CE1-CZ 4.06Å; F585-F602 HydrophobicContact CE2-CE1 4.45Å; F585-F602 AromaticContact CG-CE1 3.89Å; F585-F602 HydrophobicContact CG-CE1 3.89Å; F585-F602 HydrophobicContact CG-CE2 4.46Å; F585-F602 AromaticContact CG-CZ 3.78Å; F585-F602 HydrophobicContact CG-CZ 3.78Å; F585-F602 HydrophobicContact CZ-CZ 4.49Å; L598-F602 HydrophobicContact CB-CB 4.23Å; L598-F602 HydrophobicContact CD2-CB 4.26Å; P599-F602 HydrophobicContact CB-CD2 4.05Å; P599-F602 HydrophobicContact CG-CD2 4.1Å; P599-F602 PolarHBondContact O-N 2.76Å; G600-F602 PolarHBondContact O-N 2.8Å; F602-F604 PolarHBondContact O-N 2.68Å; F602-Y605 WeakPolarHBondContact O-CB 3.21Å; F602-Y605 PolarHBondContact O-N 2.83Å; F602-P606 WeakPolarHBondContact O-CD 3.49Å
603S94.8Very high95.5Very high51 Ų5138.8 Ų38.836%0.35721%0.207SC..SBendtrans-62.8-37.2-165.362.30000114P599 G600P599-S603 PolarHBondContact O-N 2.7Å; G600-S603 PolarHBondContact O-N 3.13Å; G600-S603 PolarHBondContact O-OG 2.72Å
604F94.8Very high95.4Very high107 Ų10739.5 Ų39.547%0.46921%0.205SC..SBendtrans-89.6-16.2178.4-59.2-70.9000112.9Q547 F602 Q607 F608Q547-F604 VanDerWaalsContact OE1-CA 3.31Å; Q547-F604 VanDerWaalsContact OE1-CB 3.28Å; F602-F604 PolarHBondContact O-N 2.68Å; F604-Q607 WeakPolarHBondContact O-CA 3.4Å; F604-Q607 WeakPolarHBondContact O-CB 3.39Å; F604-Q607 PolarHBondContact O-N 3.17Å; F604-F608 HydrophobicContact CB-CD2 4.14Å; F604-F608 HydrophobicContact CB-CE2 3.67Å; F604-F608 HydrophobicContact CB-CZ 4.06Å; F604-F608 WeakPolarHBondContact O-CD2 3.48Å; F604-F608 PolarHBondContact O-N 2.93Å
605Y97.6Very high95.3Very high1 Ų134.3 Ų34.30%0.00417%0.173CC..Hα-helixtrans-54.4-46.5-178.9-174.9-97.7000113.6V36 F545 Q547 A550 L578 L581 F602 Q607 F608 M609V36-Y605 HydrophobicContact CG2-CE2 4.45Å; V36-Y605 WeakPolarHBondContact CG2-OH 3.37Å; F545-Y605 HydrophobicContact CE1-CD2 4.25Å; F545-Y605 HydrophobicContact CE1-CG 4.32Å; F545-Y605 HydrophobicContact CZ-CD2 4.04Å; F545-Y605 HydrophobicContact CZ-CE2 4.28Å; F545-Y605 HydrophobicContact CZ-CG 4.38Å; Q547-Y605 HydrophobicContact CB-CD2 4.44Å; Q547-Y605 VanDerWaalsContact OE1-N 3.12Å; A550-Y605 HydrophobicContact CB-CD2 4.3Å; A550-Y605 HydrophobicContact CB-CE2 3.96Å; L578-Y605 HydrophobicContact CD1-CD1 3.73Å; L578-Y605 HydrophobicContact CD1-CE1 3.77Å; L581-Y605 HydrophobicContact CD1-CD1 4.15Å; L581-Y605 HydrophobicContact CD1-CE1 3.79Å; L581-Y605 HydrophobicContact CD2-CD1 3.86Å; L581-Y605 HydrophobicContact CD2-CE1 4.11Å; L581-Y605 HydrophobicContact CG-CE1 4.47Å; F602-Y605 WeakPolarHBondContact O-CB 3.21Å; F602-Y605 PolarHBondContact O-N 2.83Å; Y605-Q607 VanDerWaalsContact C-N 3.31Å; Y605-Q607 PolarHBondContact O-N 2.8Å; Y605-F608 PolarHBondContact O-N 2.93Å; Y605-M609 HydrophobicContact CD1-CG 4.21Å; Y605-M609 HydrophobicContact CD2-CE 4.41Å; Y605-M609 HydrophobicContact CE1-CG 3.8Å; Y605-M609 HydrophobicContact CE1-SD 4.29Å; Y605-M609 HydrophobicContact CE2-CE 3.85Å; Y605-M609 HydrophobicContact CE2-SD 4.31Å; Y605-M609 WeakPolarHBondContact O-CG 3.34Å; Y605-M609 PolarHBondContact O-N 3.24Å
606P97.2Very high95.2Very high0 Ų034.4 Ų34.40%017%0.171CC..Hα-helixtrans-58.9-38.2173-25.834.7000114.2L578 L598 F602 M609 F610 M781 L784L578-P606 HydrophobicContact CD1-CB 4.21Å; L578-P606 HydrophobicContact CD1-CG 4.16Å; L578-P606 HydrophobicContact CD2-CB 4.47Å; L598-P606 HydrophobicContact CD1-CG 3.53Å; F602-P606 WeakPolarHBondContact O-CD 3.49Å; P606-M609 PolarHBondContact O-N 2.78Å; P606-F610 PolarHBondContact O-N 3.02Å; P606-M781 HydrophobicContact CB-CE 3.85Å; P606-M781 HydrophobicContact CB-SD 3.48Å; P606-M781 WeakPolarHBondContact CB-SD 3.42Å; P606-M781 HydrophobicContact CG-CE 4.19Å; P606-M781 HydrophobicContact CG-SD 4.43Å; P606-L784 HydrophobicContact CB-CD2 3.75Å; P606-L784 HydrophobicContact CG-CD2 4.14Å
607Q94.8Very high95.1Very high29 Ų2934.1 Ų34.114%0.13617%0.169CC..Hα-helixtrans-67-43.1177.7175.5176.2-000111F604 Y605 M609 F610 H611 L777F604-Q607 WeakPolarHBondContact O-CA 3.4Å; F604-Q607 WeakPolarHBondContact O-CB 3.39Å; F604-Q607 PolarHBondContact O-N 3.17Å; Y605-Q607 VanDerWaalsContact C-N 3.31Å; Y605-Q607 PolarHBondContact O-N 2.8Å; Q607-M609 VanDerWaalsContact C-N 3.31Å; Q607-M609 PolarHBondContact O-N 2.97Å; Q607-F610 WeakPolarHBondContact O-CB 3.27Å; Q607-F610 PolarHBondContact O-N 2.97Å; Q607-H611 PolarHBondContact O-CD2 3.41Å; Q607-H611 PolarHBondContact O-N 3.17Å; Q607-L777 HydrophobicContact CB-CD1 4.26Å; Q607-L777 HydrophobicContact CB-CD2 4.43Å; Q607-L777 HydrophobicContact CG-CD1 4.3Å; Q607-L777 HydrophobicContact CG-CD2 3.88Å
608F96.9Very high95Very high19 Ų1926.1 Ų26.18%0.08314%0.139CC..Hα-helixtrans-59.5-42.1172.9-68.7-44.4000112.1Q547 E548 T551 F604 Y605 F610 H611 M612 L644 Q648Q547-F608 HydrophobicContact CG-CE2 4.36Å; E548-F608 HydrophobicContact CG-CE2 4.41Å; T551-F608 HydrophobicContact CG2-CB 3.55Å; T551-F608 HydrophobicContact CG2-CD2 4.41Å; T551-F608 HydrophobicContact CG2-CG 3.98Å; T551-F608 VanDerWaalsContact OG1-CB 3.29Å; T551-F608 WeakPolarHBondContact OG1-CB 3.41Å; T551-F608 VanDerWaalsContact OG1-CD2 3.24Å; T551-F608 WeakPolarHBondContact OG1-CD2 3.3Å; F604-F608 HydrophobicContact CB-CD2 4.14Å; F604-F608 HydrophobicContact CB-CE2 3.67Å; F604-F608 HydrophobicContact CB-CZ 4.06Å; F604-F608 WeakPolarHBondContact O-CD2 3.48Å; F604-F608 PolarHBondContact O-N 2.93Å; Y605-F608 PolarHBondContact O-N 2.93Å; F608-F610 VanDerWaalsContact C-N 3.35Å; F608-H611 PolarHBondContact O-N 2.85Å; F608-M612 WeakPolarHBondContact O-CB 3.31Å; F608-M612 PolarHBondContact O-N 2.87Å; F608-L644 HydrophobicContact CD1-CD2 4.14Å; F608-L644 HydrophobicContact CE1-CD2 4.04Å; F608-L644 HydrophobicContact CG-CD2 4.47Å; F608-L644 HydrophobicContact CZ-CD2 4.25Å; F608-Q648 HydrophobicContact CD1-CB 4.22Å; F608-Q648 HydrophobicContact CE1-CB 4.46Å; F608-Q648 VanDerWaalsContact CE1-OE1 3.25Å
609M97.3Very high94.8Very high1 Ų127.9 Ų27.91%0.00515%0.147CC..Hα-helixtrans-65.2-38.4175.8-65.7-55.997.100112T551 I554 L574 L578 Y605 P606 Q607 M612 R613T551-M609 HydrophobicContact CG2-CE 3.74Å; I554-M609 HydrophobicContact CG2-CE 4.49Å; I554-M609 HydrophobicContact CG2-SD 3.93Å; L574-M609 HydrophobicContact CD1-SD 3.57Å; L574-M609 VanDerWaalsContact CD1-SD 3.57Å; L574-M609 HydrophobicContact CG-SD 4.25Å; L578-M609 HydrophobicContact CD1-CG 4.09Å; L578-M609 HydrophobicContact CD2-CB 3.86Å; L578-M609 HydrophobicContact CD2-CG 4.28Å; Y605-M609 HydrophobicContact CD1-CG 4.21Å; Y605-M609 HydrophobicContact CD2-CE 4.41Å; Y605-M609 HydrophobicContact CE1-CG 3.8Å; Y605-M609 HydrophobicContact CE1-SD 4.29Å; Y605-M609 HydrophobicContact CE2-CE 3.85Å; Y605-M609 HydrophobicContact CE2-SD 4.31Å; Y605-M609 WeakPolarHBondContact O-CG 3.34Å; Y605-M609 PolarHBondContact O-N 3.24Å; P606-M609 PolarHBondContact O-N 2.78Å; Q607-M609 VanDerWaalsContact C-N 3.31Å; Q607-M609 PolarHBondContact O-N 2.97Å; M609-M612 PolarHBondContact O-N 2.58Å; M609-R613 VanDerWaalsContact O-CG 3.23Å; M609-R613 WeakPolarHBondContact O-CG 3.42Å; M609-R613 PolarHBondContact O-N 2.86Å
610F95.4Very high94.5Very high1 Ų127.8 Ų27.80%0.00415%0.145CC..Hα-helixtrans-57.2-50.5172.8169.3-99.5000111.7P606 Q607 F608 R613 R614 V775 L777 F780P606-F610 PolarHBondContact O-N 3.02Å; Q607-F610 WeakPolarHBondContact O-CB 3.27Å; Q607-F610 PolarHBondContact O-N 2.97Å; F608-F610 VanDerWaalsContact C-N 3.35Å; F610-R613 PolarHBondContact O-N 2.99Å; F610-R614 VanDerWaalsContact CZ-CD 3.5Å; F610-R614 PolarHBondContact O-N 3.13Å; F610-V775 VanDerWaalsContact CE2-O 3.28Å; F610-V775 WeakPolarHBondContact CE2-O 3.48Å; F610-V775 WeakPolarHBondContact CZ-O 3.35Å; F610-L777 HydrophobicContact CB-CD1 3.73Å; F610-L777 HydrophobicContact CD1-CB 4.15Å; F610-L777 HydrophobicContact CD1-CD1 3.68Å; F610-L777 HydrophobicContact CD1-CG 4.42Å; F610-L777 HydrophobicContact CD2-CD1 4.24Å; F610-L777 HydrophobicContact CE1-CB 3.91Å; F610-L777 HydrophobicContact CE1-CD1 4.32Å; F610-L777 HydrophobicContact CG-CD1 3.61Å; F610-L777 HydrophobicContact CZ-CB 4.11Å; F610-F780 HydrophobicContact CB-CD1 3.85Å; F610-F780 HydrophobicContact CB-CE1 3.82Å; F610-F780 HydrophobicContact CB-CG 4.35Å; F610-F780 HydrophobicContact CB-CZ 4.3Å; F610-F780 HydrophobicContact CD2-CB 3.74Å; F610-F780 AromaticContact CD2-CD1 3.97Å; F610-F780 HydrophobicContact CD2-CD1 3.97Å; F610-F780 HydrophobicContact CD2-CD2 4.05Å; F610-F780 AromaticContact CD2-CG 3.65Å; F610-F780 HydrophobicContact CD2-CG 3.65Å; F610-F780 HydrophobicContact CE2-CB 4.08Å; F610-F780 HydrophobicContact CE2-CG 4.45Å; F610-F780 HydrophobicContact CG-CD1 4.3Å; F610-F780 HydrophobicContact CG-CG 4.42Å
611H94.9Very high94.2Very high7 Ų733 Ų333%0.03215%0.153CC..Hα-helixtrans-67.9-37.1178.4-69.1-70000112.1Q607 F608 R613 R614 S615 I647 Q648Q607-H611 PolarHBondContact O-CD2 3.41Å; Q607-H611 PolarHBondContact O-N 3.17Å; F608-H611 PolarHBondContact O-N 2.85Å; H611-R613 VanDerWaalsContact C-N 3.31Å; H611-R613 PolarHBondContact O-N 2.8Å; H611-R614 CarbonylContact O-C 3.55Å; H611-R614 PolarHBondContact O-N 3.13Å; H611-R614 VanDerWaalsContact O-N 3.1Å; H611-S615 WeakPolarHBondContact O-CB 3.49Å; H611-S615 PolarHBondContact O-N 2.57Å; H611-I647 HydrophobicContact CB-CG2 4.32Å; H611-I647 WeakPolarHBondContact CB-O 3.25Å; H611-Q648 HydrophobicContact CB-CB 4.13Å; H611-Q648 PolarHBondContact CD2-OE1 3.04Å
612M95.4Very high93.8Very high0 Ų036.6 Ų36.60%018%0.175CC..Hα-helixtrans-58.8-40.9174.3-174.163.2-165.600112A555 M559 L574 F608 M609 R614 S615 F617 L618 I647A555-M612 HydrophobicContact CB-CE 3.56Å; A555-M612 HydrophobicContact CB-CG 4.33Å; A555-M612 HydrophobicContact CB-SD 3.53Å; A555-M612 VanDerWaalsContact CB-SD 3.53Å; M559-M612 HydrophobicContact CG-CE 4.27Å; L574-M612 HydrophobicContact CD2-CB 4.49Å; L574-M612 HydrophobicContact CD2-CG 4.23Å; F608-M612 WeakPolarHBondContact O-CB 3.31Å; F608-M612 PolarHBondContact O-N 2.87Å; M609-M612 PolarHBondContact O-N 2.58Å; M612-R614 VanDerWaalsContact C-N 3.26Å; M612-R614 PolarHBondContact O-N 3.16Å; M612-S615 WeakPolarHBondContact O-CB 3.41Å; M612-S615 PolarHBondContact O-N 2.88Å; M612-S615 PolarHBondContact O-OG 3.42Å; M612-F617 HydrophobicContact CE-CB 3.69Å; M612-F617 HydrophobicContact CE-CD2 4.28Å; M612-F617 HydrophobicContact CE-CG 4.34Å; M612-F617 HydrophobicContact SD-CD2 4.24Å; M612-L618 HydrophobicContact CE-CD1 4.21Å; M612-L618 HydrophobicContact CE-CD2 4.26Å; M612-L618 HydrophobicContact CE-CG 3.94Å; M612-L618 HydrophobicContact CG-CD1 4.17Å; M612-I647 HydrophobicContact CB-CG2 3.93Å; M612-I647 HydrophobicContact SD-CD1 3.98Å; M612-I647 HydrophobicContact SD-CG1 3.81Å; M612-I647 HydrophobicContact SD-CG2 4.3Å
613R93.3Very high93.7Very high59 Ų5938 Ų3822%0.22318%0.182CC..Hα-helixtrans-62.4-31.4176.5-70.2165.579.5-102.6-1.2113.5L571 L574 D575 M609 F610 H611 Q619L571-R613 HydrophobicContact CD2-CB 3.88Å; L571-R613 HydrophobicContact CD2-CG 3.87Å; L574-R613 HydrophobicContact CD2-CG 3.71Å; D575-R613 WeakPolarHBondContact OD1-CD 3.38Å; D575-R613 IonicContact OD1-CZ 3.1Å; D575-R613 IonicContact OD1-NE 3.17Å; D575-R613 PolarHBondContact OD1-NE 3.32Å; D575-R613 IonicContact OD1-NH2 2.89Å; D575-R613 IonicContact OD2-CZ 3.61Å; D575-R613 IonicContact OD2-NE 2.79Å; D575-R613 IonicContact OD2-NH2 3.72Å; D575-R613 PolarHBondContact OD2-NH2 2.86Å; M609-R613 VanDerWaalsContact O-CG 3.23Å; M609-R613 WeakPolarHBondContact O-CG 3.42Å; M609-R613 PolarHBondContact O-N 2.86Å; F610-R613 PolarHBondContact O-N 2.99Å; H611-R613 VanDerWaalsContact C-N 3.31Å; H611-R613 PolarHBondContact O-N 2.8Å; R613-Q619 WeakPolarHBondContact O-CG 3.32Å; R613-Q619 PolarHBondContact O-NE2 3.09Å
614R91.3Very high93.7Very high56 Ų5636.6 Ų36.621%0.21117%0.172CC..Hα-helixtrans-92.3-11.2179.2-62.8178.371.8-149-0.1112.7F610 H611 M612 V750 D774F610-R614 VanDerWaalsContact CZ-CD 3.5Å; F610-R614 PolarHBondContact O-N 3.13Å; H611-R614 CarbonylContact O-C 3.55Å; H611-R614 PolarHBondContact O-N 3.13Å; H611-R614 VanDerWaalsContact O-N 3.1Å; M612-R614 VanDerWaalsContact C-N 3.26Å; M612-R614 PolarHBondContact O-N 3.16Å; R614-V750 PolarHBondContact NH1-O 3.12Å; R614-V750 VanDerWaalsContact NH1-O 3.08Å; R614-V750 PolarHBondContact NH2-O 2.84Å; R614-D774 IonicContact CZ-OD2 3.83Å; R614-D774 IonicContact NE-OD2 3.39Å; R614-D774 PolarHBondContact NE-OD2 3.36Å; R614-D774 IonicContact NH2-OD2 3.29Å; R614-D774 PolarHBondContact NH2-OD2 3.12Å
615S92.6Very high93.9Very high7 Ų731.5 Ų31.55%0.04915%0.15CC..SBendtrans-69.1153.6-177.676.20000112H611 M612 F617 L618 Q619H611-S615 WeakPolarHBondContact O-CB 3.49Å; H611-S615 PolarHBondContact O-N 2.57Å; M612-S615 WeakPolarHBondContact O-CB 3.41Å; M612-S615 PolarHBondContact O-N 2.88Å; M612-S615 PolarHBondContact O-OG 3.42Å; S615-F617 PolarHBondContact O-N 3.25Å; S615-F617 VanDerWaalsContact OG-CD2 3.31Å; S615-F617 WeakPolarHBondContact OG-CD2 3.42Å; S615-F617 PolarHBondContact OG-N 3.02Å; S615-L618 PolarHBondContact O-N 3.18Å; S615-Q619 PolarHBondContact O-N 2.94Å
616Q92.5Very high93.9Very high27 Ų2731.7 Ų31.713%0.12615%0.151CC..THydrogen-bonded Turntrans-62.4-6.7174.565.1-163.21.400114.3Q619 N623 Y631Q616-Q619 CarbonylContact C-O 3.58Å; Q616-Q619 WeakPolarHBondContact CA-O 3.31Å; Q616-N623 WeakPolarHBondContact CB-ND2 3.46Å; Q616-Y631 HydrophobicContact CB-CD2 4.24Å; Q616-Y631 VanDerWaalsContact CD-CE2 3.46Å; Q616-Y631 HydrophobicContact CG-CD2 3.72Å; Q616-Y631 HydrophobicContact CG-CE2 4.22Å; Q616-Y631 HydrophobicContact CG-CG 3.98Å; Q616-Y631 VanDerWaalsContact NE2-CD1 3.32Å; Q616-Y631 VanDerWaalsContact OE1-CE2 3.23Å
617F95Very high93.9Very high0 Ų034.5 Ų34.50%016%0.164CC..THydrogen-bonded Turntrans-76.8-33.4177.3-56.8-60.1000112.3M559 M612 S615 Y631 R632 L635 M646 I647 F682M559-F617 HydrophobicContact CG-CB 3.95Å; M559-F617 HydrophobicContact SD-CB 3.97Å; M559-F617 HydrophobicContact SD-CD1 3.8Å; M559-F617 HydrophobicContact SD-CG 4.07Å; M612-F617 HydrophobicContact CE-CB 3.69Å; M612-F617 HydrophobicContact CE-CD2 4.28Å; M612-F617 HydrophobicContact CE-CG 4.34Å; M612-F617 HydrophobicContact SD-CD2 4.24Å; S615-F617 PolarHBondContact O-N 3.25Å; S615-F617 VanDerWaalsContact OG-CD2 3.31Å; S615-F617 WeakPolarHBondContact OG-CD2 3.42Å; S615-F617 PolarHBondContact OG-N 3.02Å; F617-Y631 WeakPolarHBondContact CE1-O 3.36Å; F617-R632 PolarHBondContact O-NE 3.36Å; F617-R632 VanDerWaalsContact O-NE 3.1Å; F617-R632 PolarHBondContact O-NH2 2.83Å; F617-L635 HydrophobicContact CB-CD2 4.44Å; F617-L635 HydrophobicContact CD1-CB 4.18Å; F617-L635 HydrophobicContact CD1-CD2 3.75Å; F617-L635 HydrophobicContact CD2-CD2 3.56Å; F617-L635 HydrophobicContact CE1-CB 3.57Å; F617-L635 HydrophobicContact CE1-CD2 3.76Å; F617-L635 HydrophobicContact CE1-CG 4.21Å; F617-L635 HydrophobicContact CE2-CD1 4.49Å; F617-L635 HydrophobicContact CE2-CD2 3.58Å; F617-L635 HydrophobicContact CE2-CG 4.42Å; F617-L635 HydrophobicContact CG-CD2 3.65Å; F617-L635 HydrophobicContact CZ-CB 3.78Å; F617-L635 HydrophobicContact CZ-CD1 4.32Å; F617-L635 HydrophobicContact CZ-CD2 3.66Å; F617-L635 HydrophobicContact CZ-CG 4.11Å; F617-M646 HydrophobicContact CE2-CB 3.74Å; F617-M646 HydrophobicContact CZ-CB 3.59Å; F617-M646 HydrophobicContact CZ-CG 4.29Å; F617-M646 HydrophobicContact CZ-SD 3.97Å; F617-I647 HydrophobicContact CE2-CG1 4.31Å; F617-F682 HydrophobicContact CZ-CE2 4.1Å
618L93.2Very high94Very high1 Ų133.3 Ų33.31%0.00516%0.159CC..THydrogen-bonded Turntrans-109.7-34178-58-176.9000112.4A558 A562 V570 L571 L574 M612 S615A558-L618 HydrophobicContact CB-CD1 4.35Å; A558-L618 HydrophobicContact CB-CD2 3.94Å; A562-L618 HydrophobicContact CB-CD2 4.36Å; V570-L618 HydrophobicContact CG1-CD2 3.87Å; L571-L618 HydrophobicContact CD2-CB 4.17Å; L571-L618 HydrophobicContact CD2-CD1 3.83Å; L574-L618 HydrophobicContact CD2-CD1 3.91Å; M612-L618 HydrophobicContact CE-CD1 4.21Å; M612-L618 HydrophobicContact CE-CD2 4.26Å; M612-L618 HydrophobicContact CE-CG 3.94Å; M612-L618 HydrophobicContact CG-CD1 4.17Å; S615-L618 PolarHBondContact O-N 3.18Å
619Q90.7Very high94Very high74 Ų7432.8 Ų32.835%0.34616%0.158SC..  trans-92.1113175.6-59.7-64.5-18.700110L571 R613 S615 Q616L571-Q619 VanDerWaalsContact CD1-NE2 3.35Å; R613-Q619 WeakPolarHBondContact O-CG 3.32Å; R613-Q619 PolarHBondContact O-NE2 3.09Å; S615-Q619 PolarHBondContact O-N 2.94Å; Q616-Q619 CarbonylContact C-O 3.58Å; Q616-Q619 WeakPolarHBondContact CA-O 3.31Å
620V90.5Very high94.1Very high28 Ų2833.7 Ų33.717%0.1716%0.162CC..  trans-92.1-1179.9-62.30000113.5H335 N622 N623 T628H335-V620 HydrophobicContact CB-CG2 4.25Å; V620-N622 PolarHBondContact O-N 2.9Å; V620-N623 PolarHBondContact O-N 3.44Å; V620-N623 VanDerWaalsContact O-N 3.1Å; V620-T628 HydrophobicContact CG1-CG2 3.94Å
621F87.3Confident94.2Very high161 Ų16135.3 Ų35.371%0.70617%0.168SC*.THydrogen-bonded Turntrans-58.6137.3176.5-175.4-104.6000111.1N623F621-N623 PolarHBondContact O-N 3.41Å; F621-N623 VanDerWaalsContact O-N 3.09Å
622N88Confident94.3Very high139 Ų13936.5 Ų36.574%0.74317%0.172SC*.THydrogen-bonded Turntrans58.77.8-173.5-70.2-21.6000116.3V620V620-N622 PolarHBondContact O-N 2.9Å
623N93.5Very high94.4Very high29 Ų2936.8 Ų36.816%0.15517%0.174CC..  trans-109143.2170.5-65.8-55.6000109.4H335 Q616 V620 F621 E627H335-N623 PolarHBondContact CD2-O 2.94Å; Q616-N623 WeakPolarHBondContact CB-ND2 3.46Å; V620-N623 PolarHBondContact O-N 3.44Å; V620-N623 VanDerWaalsContact O-N 3.1Å; F621-N623 PolarHBondContact O-N 3.41Å; F621-N623 VanDerWaalsContact O-N 3.09Å; N623-E627 HydrophobicContact CB-CB 4.22Å
624S96.6Very high94.6Very high22 Ų2234.2 Ų34.215%0.15417%0.165CC..  trans-72.6160.1164.563.10000111.3H335 Q376 D626 E627 T628H335-S624 PolarHBondContact NE2-O 3.16Å; Q376-S624 VanDerWaalsContact CD-CB 3.45Å; S624-D626 PolarHBondContact O-N 2.78Å; S624-E627 WeakPolarHBondContact CB-OE2 3.41Å; S624-E627 PolarHBondContact N-OE2 3.36Å; S624-E627 PolarHBondContact O-N 3.11Å; S624-E627 WeakPolarHBondContact OG-CB 3.26Å; S624-E627 WeakPolarHBondContact OG-CG 3.47Å; S624-E627 PolarHBondContact OG-N 2.94Å; S624-E627 PolarHBondContact OG-OE2 3.02Å; S624-T628 WeakPolarHBondContact O-CB 3.4Å; S624-T628 PolarHBondContact O-N 2.93Å; S624-T628 PolarHBondContact O-OG1 2.94Å
625P97.2Very high94.9Very high1 Ų131.6 Ų31.61%0.00616%0.155CC..Hα-helixtrans-52.8-34.5168.2-30.836.4000114M338 H380 A629M338-P625 HydrophobicContact SD-CB 3.78Å; M338-P625 HydrophobicContact SD-CG 3.55Å; M338-P625 VanDerWaalsContact SD-CG 3.55Å; H380-P625 HydrophobicContact CB-CB 3.9Å; P625-A629 WeakPolarHBondContact O-CB 3.29Å; P625-A629 PolarHBondContact O-N 3.12Å
626D98.3Very high95.1Very high4 Ų432.1 Ų32.12%0.02116%0.157CC..Hα-helixtrans-71.4-47.4178.2-78.413.9000112.3R333 Q376 T377 G378 L379 H380 S624 T628 A629 Y630R333-D626 IonicContact CZ-OD1 2.61Å; R333-D626 IonicContact NH1-OD1 3.68Å; R333-D626 IonicContact NH2-OD1 2.62Å; R333-D626 PolarHBondContact NH2-OD1 3.38Å; Q376-D626 HydrophobicContact CB-CB 4.4Å; Q376-D626 WeakPolarHBondContact CB-OD2 3.46Å; Q376-D626 HydrophobicContact CG-CB 4.16Å; T377-D626 PolarHBondContact N-OD2 3.05Å; G378-D626 PolarHBondContact N-OD2 3.21Å; L379-D626 HydrophobicContact CB-CB 3.87Å; L379-D626 HydrophobicContact CG-CB 4.48Å; L379-D626 PolarHBondContact N-OD1 3.24Å; L379-D626 PolarHBondContact N-OD2 2.9Å; H380-D626 PolarHBondContact N-OD1 2.91Å; S624-D626 PolarHBondContact O-N 2.78Å; D626-T628 VanDerWaalsContact C-N 3.27Å; D626-T628 PolarHBondContact O-N 3.48Å; D626-A629 PolarHBondContact O-N 3.05Å; D626-A629 VanDerWaalsContact O-N 3.17Å; D626-Y630 WeakPolarHBondContact O-CB 3.44Å; D626-Y630 PolarHBondContact O-N 3.1Å
627E97.5Very high95.3Very high59 Ų5931.2 Ų31.228%0.27615%0.153SC..Hα-helixtrans-57.8-42.6173.1-80.1162.6136.400111.3M395 N623 S624 A629 Y630 Y631M395-E627 HydrophobicContact CE-CB 4.21Å; M395-E627 HydrophobicContact CE-CG 3.38Å; M395-E627 HydrophobicContact SD-CG 3.96Å; N623-E627 HydrophobicContact CB-CB 4.22Å; S624-E627 WeakPolarHBondContact CB-OE2 3.41Å; S624-E627 PolarHBondContact N-OE2 3.36Å; S624-E627 PolarHBondContact O-N 3.11Å; S624-E627 WeakPolarHBondContact OG-CB 3.26Å; S624-E627 WeakPolarHBondContact OG-CG 3.47Å; S624-E627 PolarHBondContact OG-N 2.94Å; S624-E627 PolarHBondContact OG-OE2 3.02Å; E627-A629 VanDerWaalsContact C-N 3.35Å; E627-A629 PolarHBondContact O-N 2.88Å; E627-Y630 PolarHBondContact O-N 3.17Å; E627-Y631 HydrophobicContact CB-CD2 4.34Å; E627-Y631 HydrophobicContact CB-CE2 3.94Å; E627-Y631 WeakPolarHBondContact O-CD2 3.45Å; E627-Y631 PolarHBondContact O-N 2.83Å
628T97.1Very high95.4Very high5 Ų531.5 Ų31.53%0.03115%0.154CC..Hα-helixtrans-61.3-44.7177.5-55.90000111.1H335 V620 S624 D626 R632H335-T628 PolarHBondContact CE1-OG1 3.43Å; H335-T628 PolarHBondContact NE2-OG1 3.32Å; V620-T628 HydrophobicContact CG1-CG2 3.94Å; S624-T628 WeakPolarHBondContact O-CB 3.4Å; S624-T628 PolarHBondContact O-N 2.93Å; S624-T628 PolarHBondContact O-OG1 2.94Å; D626-T628 VanDerWaalsContact C-N 3.27Å; D626-T628 PolarHBondContact O-N 3.48Å; T628-R632 WeakPolarHBondContact O-CB 3.4Å; T628-R632 WeakPolarHBondContact O-CG 3.27Å; T628-R632 PolarHBondContact O-N 2.91Å; T628-R632 VanDerWaalsContact O-N 3.09Å
629A97.5Very high95.5Very high7 Ų732.7 Ų32.76%0.05816%0.16CC..Hα-helixtrans-63.8-41.6176.600000111.9R383 P625 D626 E627 H633R383-A629 HydrophobicContact CB-CB 4.34Å; P625-A629 WeakPolarHBondContact O-CB 3.29Å; P625-A629 PolarHBondContact O-N 3.12Å; D626-A629 PolarHBondContact O-N 3.05Å; D626-A629 VanDerWaalsContact O-N 3.17Å; E627-A629 VanDerWaalsContact C-N 3.35Å; E627-A629 PolarHBondContact O-N 2.88Å; A629-H633 VanDerWaalsContact O-CB 3.3Å; A629-H633 WeakPolarHBondContact O-CB 3.42Å; A629-H633 PolarHBondContact O-N 3.09Å
630Y98Very high95.8Very high21 Ų2129.2 Ų29.28%0.08214%0.144CC..Hα-helixtrans-61.2-54.3176.5168.5-108.3000112.3M393 M395 D626 E627 R632 H633 V634 F682 P729M393-Y630 HydrophobicContact CG-CD2 4.33Å; M393-Y630 WeakPolarHBondContact O-CD2 3.42Å; M393-Y630 VanDerWaalsContact O-CE2 3.24Å; M393-Y630 WeakPolarHBondContact O-CE2 3.38Å; M393-Y630 VanDerWaalsContact SD-CA 3.54Å; M395-Y630 HydrophobicContact CB-CD1 4.48Å; M395-Y630 HydrophobicContact CB-CD2 4.04Å; M395-Y630 HydrophobicContact CB-CE2 4.42Å; M395-Y630 HydrophobicContact CB-CG 4.06Å; M395-Y630 HydrophobicContact CE-CD1 3.85Å; M395-Y630 HydrophobicContact CE-CE1 4.47Å; M395-Y630 HydrophobicContact CE-CG 4.27Å; M395-Y630 HydrophobicContact SD-CG 4.44Å; D626-Y630 WeakPolarHBondContact O-CB 3.44Å; D626-Y630 PolarHBondContact O-N 3.1Å; E627-Y630 PolarHBondContact O-N 3.17Å; Y630-R632 VanDerWaalsContact C-N 3.34Å; Y630-R632 PolarHBondContact O-N 2.81Å; Y630-H633 WeakPolarHBondContact O-CB 3.33Å; Y630-H633 PolarHBondContact O-N 2.96Å; Y630-V634 HydrophobicContact CD2-CG2 4.19Å; Y630-V634 HydrophobicContact CE2-CG2 3.79Å; Y630-V634 WeakPolarHBondContact O-CG2 3.19Å; Y630-V634 PolarHBondContact O-N 3.43Å; Y630-F682 HydrophobicContact CE1-CD1 4.08Å; Y630-F682 AromaticContact CE1-CE1 3.96Å; Y630-F682 HydrophobicContact CE1-CE1 3.96Å; Y630-P729 HydrophobicContact CE2-CG 4.3Å; Y630-P729 WeakPolarHBondContact OH-CG 3.38Å
631Y97.4Very high96Very high35 Ų3530.6 Ų30.614%0.13716%0.155CC..Hα-helixtrans-59.6-46.1-179.8-64.7-46.2000111.4Q616 F617 E627 H633 V634 L635 F682Q616-Y631 HydrophobicContact CB-CD2 4.24Å; Q616-Y631 VanDerWaalsContact CD-CE2 3.46Å; Q616-Y631 HydrophobicContact CG-CD2 3.72Å; Q616-Y631 HydrophobicContact CG-CE2 4.22Å; Q616-Y631 HydrophobicContact CG-CG 3.98Å; Q616-Y631 VanDerWaalsContact NE2-CD1 3.32Å; Q616-Y631 VanDerWaalsContact OE1-CE2 3.23Å; F617-Y631 WeakPolarHBondContact CE1-O 3.36Å; E627-Y631 HydrophobicContact CB-CD2 4.34Å; E627-Y631 HydrophobicContact CB-CE2 3.94Å; E627-Y631 WeakPolarHBondContact O-CD2 3.45Å; E627-Y631 PolarHBondContact O-N 2.83Å; Y631-H633 VanDerWaalsContact C-N 3.33Å; Y631-H633 PolarHBondContact O-N 3.26Å; Y631-V634 PolarHBondContact O-N 3.14Å; Y631-L635 PolarHBondContact O-N 3.38Å; Y631-F682 AromaticContact CD1-CD1 3.92Å; Y631-F682 HydrophobicContact CD1-CD1 3.92Å; Y631-F682 HydrophobicContact CD1-CD2 4.06Å; Y631-F682 AromaticContact CD1-CE1 3.65Å; Y631-F682 HydrophobicContact CD1-CE1 3.65Å; Y631-F682 AromaticContact CD1-CE2 3.79Å; Y631-F682 HydrophobicContact CD1-CE2 3.79Å; Y631-F682 HydrophobicContact CD1-CG 4.12Å; Y631-F682 AromaticContact CD1-CZ 3.59Å; Y631-F682 HydrophobicContact CD1-CZ 3.59Å; Y631-F682 AromaticContact CE1-CD1 3.9Å; Y631-F682 HydrophobicContact CE1-CD1 3.9Å; Y631-F682 HydrophobicContact CE1-CD2 4.2Å; Y631-F682 HydrophobicContact CE1-CE1 4.12Å; Y631-F682 HydrophobicContact CE1-CE2 4.39Å; Y631-F682 AromaticContact CE1-CG 3.95Å; Y631-F682 HydrophobicContact CE1-CG 3.95Å; Y631-F682 HydrophobicContact CE1-CZ 4.36Å; Y631-F682 HydrophobicContact CG-CZ 4.48Å
632R97.3Very high96.4Very high31 Ų3124.2 Ų24.212%0.11713%0.128CC..Hα-helixtrans-61.8-39.5177.6-70.3-178.1174.4-178.83.8112.4M559 A562 F617 T628 Y630 V634 N636M559-R632 HydrophobicContact CG-CG 4.29Å; M559-R632 HydrophobicContact SD-CB 3.95Å; M559-R632 HydrophobicContact SD-CG 3.68Å; A562-R632 PolarHBondContact O-NH1 3.39Å; A562-R632 VanDerWaalsContact O-NH1 3.1Å; F617-R632 PolarHBondContact O-NE 3.36Å; F617-R632 VanDerWaalsContact O-NE 3.1Å; F617-R632 PolarHBondContact O-NH2 2.83Å; T628-R632 WeakPolarHBondContact O-CB 3.4Å; T628-R632 WeakPolarHBondContact O-CG 3.27Å; T628-R632 PolarHBondContact O-N 2.91Å; T628-R632 VanDerWaalsContact O-N 3.09Å; Y630-R632 VanDerWaalsContact C-N 3.34Å; Y630-R632 PolarHBondContact O-N 2.81Å; R632-V634 VanDerWaalsContact C-N 3.35Å; R632-N636 WeakPolarHBondContact O-CB 3.2Å; R632-N636 VanDerWaalsContact O-CG 3.31Å; R632-N636 PolarHBondContact O-N 3Å; R632-N636 VanDerWaalsContact O-N 3.08Å; R632-N636 PolarHBondContact O-ND2 2.99Å; R632-N636 VanDerWaalsContact O-ND2 3.16Å
633H97.6Very high96.9Very high6 Ų617.6 Ų17.63%0.0289%0.093CC..Hα-helixtrans-59.3-46.5175.4174.279.2000111.4T386 N387 G391 M393 A629 Y630 Y631 N636 K637T386-H633 PolarHBondContact OG1-ND1 3.25Å; N387-H633 PolarHBondContact OD1-ND1 3.2Å; G391-H633 PolarHBondContact O-CE1 3.22Å; G391-H633 VanDerWaalsContact O-CE1 3.31Å; G391-H633 PolarHBondContact O-NE2 3.09Å; M393-H633 HydrophobicContact CB-CB 4.48Å; M393-H633 VanDerWaalsContact CB-CD2 3.49Å; M393-H633 WeakPolarHBondContact CB-CD2 3.43Å; M393-H633 HydrophobicContact CE-CB 4.11Å; M393-H633 HydrophobicContact SD-CB 4.19Å; A629-H633 VanDerWaalsContact O-CB 3.3Å; A629-H633 WeakPolarHBondContact O-CB 3.42Å; A629-H633 PolarHBondContact O-N 3.09Å; Y630-H633 WeakPolarHBondContact O-CB 3.33Å; Y630-H633 PolarHBondContact O-N 2.96Å; Y631-H633 VanDerWaalsContact C-N 3.33Å; Y631-H633 PolarHBondContact O-N 3.26Å; H633-N636 PolarHBondContact O-N 3Å; H633-K637 PolarHBondContact O-N 3.12Å
634V97.7Very high97.1Very high6 Ų617 Ų174%0.0369%0.089CC..Hα-helixtrans-65.9-47.1-178.7176.80000111.5Y630 Y631 R632 N636 K637 E638 M646 F681 F682Y630-V634 HydrophobicContact CD2-CG2 4.19Å; Y630-V634 HydrophobicContact CE2-CG2 3.79Å; Y630-V634 WeakPolarHBondContact O-CG2 3.19Å; Y630-V634 PolarHBondContact O-N 3.43Å; Y631-V634 PolarHBondContact O-N 3.14Å; R632-V634 VanDerWaalsContact C-N 3.35Å; V634-N636 VanDerWaalsContact C-N 3.25Å; V634-N636 PolarHBondContact O-N 3.29Å; V634-K637 PolarHBondContact O-N 3.48Å; V634-E638 HydrophobicContact CG1-CG 3.95Å; V634-E638 PolarHBondContact O-N 3.16Å; V634-M646 HydrophobicContact CG1-CE 3.63Å; V634-M646 HydrophobicContact CG1-SD 4.19Å; V634-F681 HydrophobicContact CG1-CD1 4.32Å; V634-F681 HydrophobicContact CG1-CE1 3.5Å; V634-F681 HydrophobicContact CG1-CZ 3.93Å; V634-F682 HydrophobicContact CB-CE1 3.93Å; V634-F682 HydrophobicContact CB-CZ 3.9Å; V634-F682 HydrophobicContact CG1-CE1 3.74Å; V634-F682 HydrophobicContact CG1-CZ 3.78Å; V634-F682 HydrophobicContact CG2-CE1 4.1Å
635L97.6Very high97.1Very high0 Ų017.3 Ų17.30%09%0.09CC..Hα-helixtrans-62.8-31.6177.7-178.362.7000112.8A555 R556 M559 F617 Y631 K637 S643 M646A555-L635 HydrophobicContact CB-CD2 4.34Å; R556-L635 PolarHBondContact NE-O 3.22Å; R556-L635 VanDerWaalsContact NE-O 3.08Å; R556-L635 PolarHBondContact NH2-O 3.29Å; M559-L635 HydrophobicContact CE-CB 3.8Å; M559-L635 HydrophobicContact CE-CD2 3.32Å; M559-L635 HydrophobicContact CE-CG 3.5Å; M559-L635 VanDerWaalsContact CE-CG 3.5Å; M559-L635 HydrophobicContact SD-CB 4.13Å; M559-L635 HydrophobicContact SD-CD2 3.51Å; M559-L635 VanDerWaalsContact SD-CD2 3.51Å; M559-L635 HydrophobicContact SD-CG 4.14Å; F617-L635 HydrophobicContact CB-CD2 4.44Å; F617-L635 HydrophobicContact CD1-CB 4.18Å; F617-L635 HydrophobicContact CD1-CD2 3.75Å; F617-L635 HydrophobicContact CD2-CD2 3.56Å; F617-L635 HydrophobicContact CE1-CB 3.57Å; F617-L635 HydrophobicContact CE1-CD2 3.76Å; F617-L635 HydrophobicContact CE1-CG 4.21Å; F617-L635 HydrophobicContact CE2-CD1 4.49Å; F617-L635 HydrophobicContact CE2-CD2 3.58Å; F617-L635 HydrophobicContact CE2-CG 4.42Å; F617-L635 HydrophobicContact CG-CD2 3.65Å; F617-L635 HydrophobicContact CZ-CB 3.78Å; F617-L635 HydrophobicContact CZ-CD1 4.32Å; F617-L635 HydrophobicContact CZ-CD2 3.66Å; F617-L635 HydrophobicContact CZ-CG 4.11Å; Y631-L635 PolarHBondContact O-N 3.38Å; L635-K637 PolarHBondContact O-N 2.78Å; L635-S643 VanDerWaalsContact CD1-CB 3.43Å; L635-M646 HydrophobicContact CB-SD 3.96Å; L635-M646 HydrophobicContact CD1-SD 3.86Å
636N97.1Very high97.1Very high18 Ų1817.8 Ų17.810%0.0969%0.092CC..THydrogen-bonded Turntrans-72.4-14.1175.4-81.2-30.6000113.9G443 P444 R556 M559 R632 H633 V634G443-N636 WeakPolarHBondContact CA-O 3.22Å; P444-N636 WeakPolarHBondContact CD-O 3.36Å; R556-N636 VanDerWaalsContact CZ-O 3.32Å; R556-N636 PolarHBondContact NH1-O 3.42Å; R556-N636 PolarHBondContact NH2-O 2.94Å; M559-N636 VanDerWaalsContact CE-OD1 3.22Å; M559-N636 WeakPolarHBondContact CE-OD1 3.42Å; R632-N636 WeakPolarHBondContact O-CB 3.2Å; R632-N636 VanDerWaalsContact O-CG 3.31Å; R632-N636 PolarHBondContact O-N 3Å; R632-N636 VanDerWaalsContact O-N 3.08Å; R632-N636 PolarHBondContact O-ND2 2.99Å; R632-N636 VanDerWaalsContact O-ND2 3.16Å; H633-N636 PolarHBondContact O-N 3Å; V634-N636 VanDerWaalsContact C-N 3.25Å; V634-N636 PolarHBondContact O-N 3.29Å
637K95.9Very high97Very high8 Ų817.8 Ų17.84%0.0359%0.092CC..THydrogen-bonded Turntrans-108.6-35.4-175.2-179.4168.5-178.4166.40113.4G390 P444 S476 T477 T478 H633 V634 L635G390-K637 PolarHBondContact O-NZ 3.45Å; P444-K637 HydrophobicContact CG-CB 4.14Å; P444-K637 HydrophobicContact CG-CD 4.49Å; P444-K637 HydrophobicContact CG-CG 4.09Å; S476-K637 VanDerWaalsContact O-O 3.1Å; T477-K637 CarbonylContact C-O 3.6Å; T477-K637 WeakPolarHBondContact CA-O 3.47Å; T477-K637 HydrophobicContact CG2-CG 4.33Å; T477-K637 VanDerWaalsContact OG1-CE 3.22Å; T477-K637 WeakPolarHBondContact OG1-CE 3.48Å; T478-K637 PolarHBondContact N-O 2.99Å; H633-K637 PolarHBondContact O-N 3.12Å; V634-K637 PolarHBondContact O-N 3.48Å; L635-K637 PolarHBondContact O-N 2.78Å
638E96.6Very high96.9Very high7 Ų716.7 Ų16.73%0.0339%0.087CC..SBendtrans-74.8163-172.1-75.9-59.512700114.4S476 T478 R556 V634 N642 S643 M646 F681S476-E638 PolarHBondContact OG-OE1 3.36Å; T478-E638 WeakPolarHBondContact CB-O 3.21Å; R556-E638 PolarHBondContact NH2-O 2.8Å; V634-E638 HydrophobicContact CG1-CG 3.95Å; V634-E638 PolarHBondContact O-N 3.16Å; E638-N642 HydrophobicContact CB-CB 3.91Å; E638-N642 HydrophobicContact CG-CB 4.35Å; E638-N642 PolarHBondContact OE2-ND2 3.44Å; E638-S643 PolarHBondContact O-OG 3Å; E638-M646 HydrophobicContact CB-CE 3.63Å; E638-M646 HydrophobicContact CG-CE 3.57Å; E638-F681 HydrophobicContact CG-CE2 3.93Å; E638-F681 HydrophobicContact CG-CZ 3.74Å
639D95.7Very high96.8Very high25 Ų2516.9 Ų16.913%0.1349%0.088CC..  trans-72.8-178.8-179.868.318.1000113.3T478 S641 N642 S643T478-D639 WeakPolarHBondContact OG1-CA 3.33Å; D639-S641 PolarHBondContact OD1-N 3.19Å; D639-N642 VanDerWaalsContact OD1-CB 3.24Å; D639-N642 WeakPolarHBondContact OD1-CB 3.36Å; D639-N642 VanDerWaalsContact OD1-CG 3.31Å; D639-N642 PolarHBondContact OD1-N 3.11Å; D639-S643 WeakPolarHBondContact O-CB 3.43Å; D639-S643 PolarHBondContact O-N 3.15Å; D639-S643 PolarHBondContact O-OG 3.16Å
640C96.7Very high96.7Very high2 Ų218.7 Ų18.71%0.01410%0.1CC..Hα-helixtrans-58.8-52.5-177-169.50000111.6R18 L41 S643 L644R18-C640 HydrophobicContact CG-CB 4.4Å; L41-C640 HydrophobicContact CD1-CB 3.55Å; C640-S643 PolarHBondContact O-N 3.47Å; C640-L644 WeakPolarHBondContact O-CG 3.32Å; C640-L644 PolarHBondContact O-N 2.89Å
641S95.2Very high96.7Very high56 Ų5617.9 Ų17.939%0.39210%0.097SC..Hα-helixtrans-62.7-47.4-176.7-57.10000112.3D639 L644 L645D639-S641 PolarHBondContact OD1-N 3.19Å; S641-L644 PolarHBondContact O-N 3.32Å; S641-L645 WeakPolarHBondContact O-CG 3.29Å; S641-L645 PolarHBondContact O-N 2.61Å; S641-L645 VanDerWaalsContact O-N 3.1Å
642N96.6Very high96.7Very high27 Ų2717.7 Ų17.714%0.14410%0.1CC..Hα-helixtrans-66-40.8178.4-71.6-12.7000111.5E638 D639 L644 L645 M646 F681 R727E638-N642 HydrophobicContact CB-CB 3.91Å; E638-N642 HydrophobicContact CG-CB 4.35Å; E638-N642 PolarHBondContact OE2-ND2 3.44Å; D639-N642 VanDerWaalsContact OD1-CB 3.24Å; D639-N642 WeakPolarHBondContact OD1-CB 3.36Å; D639-N642 VanDerWaalsContact OD1-CG 3.31Å; D639-N642 PolarHBondContact OD1-N 3.11Å; N642-L644 VanDerWaalsContact C-N 3.29Å; N642-L644 PolarHBondContact O-N 3.33Å; N642-L645 PolarHBondContact O-N 2.66Å; N642-M646 HydrophobicContact CB-CE 4.38Å; N642-M646 WeakPolarHBondContact O-CG 3.3Å; N642-M646 PolarHBondContact O-N 3.14Å; N642-F681 HydrophobicContact CB-CD2 3.7Å; N642-F681 HydrophobicContact CB-CE2 3.73Å; N642-R727 PolarHBondContact OD1-NH1 2.93Å
643S98Very high96.7Very high0 Ų016.2 Ų16.20%09%0.094CC..Hα-helixtrans-60.5-40175.7-64.60000111.9L635 E638 D639 C640 M646 I647L635-S643 VanDerWaalsContact CD1-CB 3.43Å; E638-S643 PolarHBondContact O-OG 3Å; D639-S643 WeakPolarHBondContact O-CB 3.43Å; D639-S643 PolarHBondContact O-N 3.15Å; D639-S643 PolarHBondContact O-OG 3.16Å; C640-S643 PolarHBondContact O-N 3.47Å; S643-M646 PolarHBondContact O-N 2.6Å; S643-I647 WeakPolarHBondContact O-CG1 3.36Å; S643-I647 PolarHBondContact O-N 3.05Å
644L97.2Very high96.6Very high16 Ų1616.3 Ų16.38%0.0849%0.094CC..Hα-helixtrans-64.9-43.4176.2-77.2176.8000112.6E548 T551 V552 F608 C640 S641 N642 M646 I647 Q648E548-L644 HydrophobicContact CB-CD1 3.5Å; E548-L644 VanDerWaalsContact CB-CD1 3.5Å; E548-L644 HydrophobicContact CG-CD1 3.58Å; T551-L644 HydrophobicContact CG2-CD2 3.74Å; V552-L644 HydrophobicContact CG2-CD2 4.1Å; V552-L644 HydrophobicContact CG2-CG 4.04Å; F608-L644 HydrophobicContact CD1-CD2 4.14Å; F608-L644 HydrophobicContact CE1-CD2 4.04Å; F608-L644 HydrophobicContact CG-CD2 4.47Å; F608-L644 HydrophobicContact CZ-CD2 4.25Å; C640-L644 WeakPolarHBondContact O-CG 3.32Å; C640-L644 PolarHBondContact O-N 2.89Å; S641-L644 PolarHBondContact O-N 3.32Å; N642-L644 VanDerWaalsContact C-N 3.29Å; N642-L644 PolarHBondContact O-N 3.33Å; L644-M646 PolarHBondContact O-N 3.02Å; L644-I647 CarbonylContact O-C 3.5Å; L644-I647 PolarHBondContact O-N 2.92Å; L644-Q648 CarbonylContact O-C 3.54Å; L644-Q648 PolarHBondContact O-N 2.87Å
645L96.3Very high96.3Very high30 Ų3016.9 Ų16.916%0.15710%0.098CC..Hα-helixtrans-59.4-32.1176.5-69.8170.9000112.6S641 N642 Q648 P649 S680 F681S641-L645 WeakPolarHBondContact O-CG 3.29Å; S641-L645 PolarHBondContact O-N 2.61Å; S641-L645 VanDerWaalsContact O-N 3.1Å; N642-L645 PolarHBondContact O-N 2.66Å; L645-Q648 CarbonylContact O-C 3.6Å; L645-P649 WeakPolarHBondContact O-CA 3.36Å; L645-S680 CarbonylContact O-C 3.55Å; L645-S680 WeakPolarHBondContact O-CA 3.3Å; L645-F681 HydrophobicContact CB-CB 4.29Å
646M97.4Very high95.9Very high10 Ų1019.3 Ų19.35%0.04911%0.11CC..Hα-helixtrans-72.1-32174.6-58.6171.4-152.900113.2F617 V634 L635 E638 N642 S643 L644 F681 F682F617-M646 HydrophobicContact CE2-CB 3.74Å; F617-M646 HydrophobicContact CZ-CB 3.59Å; F617-M646 HydrophobicContact CZ-CG 4.29Å; F617-M646 HydrophobicContact CZ-SD 3.97Å; V634-M646 HydrophobicContact CG1-CE 3.63Å; V634-M646 HydrophobicContact CG1-SD 4.19Å; L635-M646 HydrophobicContact CB-SD 3.96Å; L635-M646 HydrophobicContact CD1-SD 3.86Å; E638-M646 HydrophobicContact CB-CE 3.63Å; E638-M646 HydrophobicContact CG-CE 3.57Å; N642-M646 HydrophobicContact CB-CE 4.38Å; N642-M646 WeakPolarHBondContact O-CG 3.3Å; N642-M646 PolarHBondContact O-N 3.14Å; S643-M646 PolarHBondContact O-N 2.6Å; L644-M646 PolarHBondContact O-N 3.02Å; M646-F681 HydrophobicContact CE-CB 4.38Å; M646-F681 HydrophobicContact CE-CD1 3.58Å; M646-F681 HydrophobicContact CE-CD2 3.77Å; M646-F681 HydrophobicContact CE-CE1 3.69Å; M646-F681 HydrophobicContact CE-CE2 3.83Å; M646-F681 HydrophobicContact CE-CG 3.64Å; M646-F681 HydrophobicContact CE-CZ 3.79Å; M646-F681 HydrophobicContact CG-CB 3.64Å; M646-F681 HydrophobicContact CG-CD1 4.04Å; M646-F681 HydrophobicContact CG-CG 3.88Å; M646-F681 HydrophobicContact SD-CD1 4.36Å; M646-F682 HydrophobicContact CB-CE2 4.02Å; M646-F682 HydrophobicContact CG-CD2 4.18Å; M646-F682 HydrophobicContact CG-CE2 3.55Å; M646-F682 HydrophobicContact CG-CZ 4.14Å; M646-F682 HydrophobicContact SD-CE2 3.75Å; M646-F682 HydrophobicContact SD-CZ 3.77Å
647I96.6Very high95.5Very high5 Ų524.4 Ų24.43%0.02614%0.137CC..Hα-helixtrans-80-54.7-179.9-67.1169.6000109.5T551 A555 H611 M612 F617 S643 L644T551-I647 HydrophobicContact CG2-CD1 3.83Å; T551-I647 HydrophobicContact CG2-CG2 4.47Å; A555-I647 HydrophobicContact CB-CD1 3.65Å; H611-I647 HydrophobicContact CB-CG2 4.32Å; H611-I647 WeakPolarHBondContact CB-O 3.25Å; M612-I647 HydrophobicContact CB-CG2 3.93Å; M612-I647 HydrophobicContact SD-CD1 3.98Å; M612-I647 HydrophobicContact SD-CG1 3.81Å; M612-I647 HydrophobicContact SD-CG2 4.3Å; F617-I647 HydrophobicContact CE2-CG1 4.31Å; S643-I647 WeakPolarHBondContact O-CG1 3.36Å; S643-I647 PolarHBondContact O-N 3.05Å; L644-I647 CarbonylContact O-C 3.5Å; L644-I647 PolarHBondContact O-N 2.92Å
648Q94.9Very high95.1Very high36 Ų3625.7 Ų25.717%0.16815%0.153CC..SBendtrans-125.598.5177.7179.3177.9-2000108.5F608 H611 L644 L645 L665F608-Q648 HydrophobicContact CD1-CB 4.22Å; F608-Q648 HydrophobicContact CE1-CB 4.46Å; F608-Q648 VanDerWaalsContact CE1-OE1 3.25Å; H611-Q648 HydrophobicContact CB-CB 4.13Å; H611-Q648 PolarHBondContact CD2-OE1 3.04Å; L644-Q648 CarbonylContact O-C 3.54Å; L644-Q648 PolarHBondContact O-N 2.87Å; L645-Q648 CarbonylContact O-C 3.6Å; Q648-L665 HydrophobicContact CG-CD2 4.41Å
649P96.1Very high94.9Very high8 Ų827.7 Ų27.75%0.05217%0.167CC..  trans-52.1145.9173.2-28.834.4000112.7L645 L665 M678 D679 K749L645-P649 WeakPolarHBondContact O-CA 3.36Å; P649-L665 HydrophobicContact CB-CD1 4.14Å; P649-L665 HydrophobicContact CB-CD2 4.01Å; P649-L665 HydrophobicContact CG-CD2 4.06Å; P649-M678 HydrophobicContact CB-CG 4.03Å; P649-M678 HydrophobicContact CB-SD 4.28Å; P649-D679 CarbonylContact C-O 3.43Å; P649-D679 VanDerWaalsContact CA-O 3.27Å; P649-D679 WeakPolarHBondContact CA-O 2.99Å; P649-D679 WeakPolarHBondContact CB-O 3.28Å; P649-K749 HydrophobicContact CG-CB 4.46Å
650S95.6Very high94.7Very high46 Ų4630.6 Ų30.632%0.32218%0.18SC..EExtended strand (participates in β ladder)trans-83150.1168.264.60000110.2M678 D679S650-M678 VanDerWaalsContact O-CA 3.31Å; S650-M678 WeakPolarHBondContact O-CA 3.24Å; S650-D679 PolarHBondContact N-O 3.05Å; S650-D679 PolarHBondContact O-N 3.17Å
651L97.2Very high94.6Very high4 Ų434.2 Ų34.22%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-133119.3175.3-166.365.4000108.2V663 L664 L665 L676 L677 M678 L746L651-V663 HydrophobicContact CB-CG2 3.97Å; L651-V663 HydrophobicContact CD2-CG2 3.78Å; L651-V663 HydrophobicContact CG-CG2 3.66Å; L651-V663 WeakPolarHBondContact O-CG2 3.17Å; L651-V663 PolarHBondContact O-N 3.09Å; L651-L664 WeakPolarHBondContact CD2-O 3.43Å; L651-L665 HydrophobicContact CB-CD1 4.29Å; L651-L676 HydrophobicContact CD1-CB 3.9Å; L651-L676 HydrophobicContact CD1-CD1 4.38Å; L651-L676 HydrophobicContact CD2-CD1 4.25Å; L651-L676 HydrophobicContact CD2-CD2 4.46Å; L651-L676 HydrophobicContact CG-CD2 4.32Å; L651-L677 WeakPolarHBondContact CA-O 3.35Å; L651-M678 HydrophobicContact CD1-CB 3.8Å; L651-M678 HydrophobicContact CD1-CG 4.33Å; L651-L746 HydrophobicContact CD1-CD1 3.89Å
652T97.2Very high94.7Very high31 Ų3137.1 Ų37.119%0.1922%0.215CC..EExtended strand (participates in β ladder)trans-111.2131.8176.3-55.90000108.8F654 E660 L676 L677T652-F654 HydrophobicContact CG2-CD2 4.44Å; T652-F654 HydrophobicContact CG2-CE2 3.76Å; T652-F654 HydrophobicContact CG2-CZ 4.01Å; T652-E660 HydrophobicContact CG2-CB 4.47Å; T652-L676 CarbonylContact O-C 3.59Å; T652-L676 VanDerWaalsContact O-CA 3.31Å; T652-L676 WeakPolarHBondContact O-CA 3.29Å; T652-L677 PolarHBondContact N-O 3Å; T652-L677 PolarHBondContact O-N 3.17Å
653S96.9Very high94.6Very high0 Ų037.1 Ų37.10%022%0.216CC..EExtended strand (participates in β ladder)trans-98.3133.1176.6179.70000110.8N655 E660 E661 V663 R674S653-N655 PolarHBondContact OG-OD1 3.45Å; S653-N655 VanDerWaalsContact OG-OD1 3.08Å; S653-E660 CarbonylContact O-C 3.56Å; S653-E660 WeakPolarHBondContact O-CA 3.31Å; S653-E661 PolarHBondContact N-O 3.19Å; S653-E661 PolarHBondContact O-N 2.96Å; S653-V663 VanDerWaalsContact CB-CG1 3.47Å; S653-R674 VanDerWaalsContact OG-CD 3.31Å; S653-R674 WeakPolarHBondContact OG-CD 3.17Å; S653-R674 PolarHBondContact OG-NH1 2.81Å
654F95.6Very high94.2Very high7 Ų742.5 Ų42.53%0.03124%0.244CC..EExtended strand (participates in β ladder)trans-111.4115172.1-63.4-98.3000107.9T652 E660 V675 L677 K715 P716 E719T652-F654 HydrophobicContact CG2-CD2 4.44Å; T652-F654 HydrophobicContact CG2-CE2 3.76Å; T652-F654 HydrophobicContact CG2-CZ 4.01Å; F654-E660 HydrophobicContact CD1-CB 4.14Å; F654-E660 HydrophobicContact CE1-CB 4.16Å; F654-E660 VanDerWaalsContact CE1-OE2 3.24Å; F654-E660 WeakPolarHBondContact CE1-OE2 3.48Å; F654-V675 HydrophobicContact CB-CB 4.29Å; F654-V675 PolarHBondContact N-O 3.46Å; F654-V675 PolarHBondContact O-N 3.29Å; F654-L677 HydrophobicContact CD2-CB 4.45Å; F654-L677 HydrophobicContact CE2-CB 3.65Å; F654-L677 HydrophobicContact CE2-CD2 4.32Å; F654-L677 HydrophobicContact CZ-CD2 4.39Å; F654-K715 HydrophobicContact CD1-CB 4.26Å; F654-K715 HydrophobicContact CD1-CD 4.11Å; F654-K715 HydrophobicContact CD1-CG 4.32Å; F654-K715 HydrophobicContact CE1-CB 4.21Å; F654-K715 HydrophobicContact CE1-CD 3.9Å; F654-K715 HydrophobicContact CE1-CG 3.9Å; F654-P716 HydrophobicContact CD1-CB 4.49Å; F654-P716 HydrophobicContact CD2-CB 3.87Å; F654-P716 HydrophobicContact CD2-CG 4.31Å; F654-P716 HydrophobicContact CE1-CB 4.34Å; F654-P716 HydrophobicContact CE2-CB 3.73Å; F654-P716 HydrophobicContact CG-CB 4.27Å; F654-P716 HydrophobicContact CG-CG 4.29Å; F654-P716 HydrophobicContact CZ-CB 3.97Å; F654-E719 WeakPolarHBondContact CZ-OE2 3.36Å
655N93.1Very high94Very high19 Ų1942 Ų4210%0.10224%0.241CC..EExtended strand (participates in β ladder)trans-96.6155.6-174.6-59.7-40.7000110.5S653 D657 G658 S659 I712S653-N655 PolarHBondContact OG-OD1 3.45Å; S653-N655 VanDerWaalsContact OG-OD1 3.08Å; N655-D657 VanDerWaalsContact CB-OD1 3.24Å; N655-D657 WeakPolarHBondContact CB-OD1 3.39Å; N655-D657 PolarHBondContact O-N 2.86Å; N655-D657 VanDerWaalsContact O-N 3.15Å; N655-G658 PolarHBondContact O-N 2.9Å; N655-S659 WeakPolarHBondContact CB-OG 3.46Å; N655-S659 PolarHBondContact N-O 2.88Å; N655-S659 PolarHBondContact ND2-OG 3.01Å; N655-I712 WeakPolarHBondContact O-CG2 3.17Å
656L88.8Confident93.8Very high50 Ų5041.3 Ų41.326%0.26224%0.237SC..THydrogen-bonded Turntrans-64.4-16.9-178.6-73.7173.3000114.6G658 D673 I692 W695 I709 I712L656-G658 PolarHBondContact O-N 3.18Å; L656-D673 HydrophobicContact CD1-CB 4.32Å; L656-I692 HydrophobicContact CD1-CD1 4.15Å; L656-I692 HydrophobicContact CD2-CD1 3.54Å; L656-I692 HydrophobicContact CG-CD1 4.01Å; L656-W695 HydrophobicContact CD1-CH2 3.68Å; L656-W695 HydrophobicContact CD1-CZ3 3.56Å; L656-W695 HydrophobicContact CD2-CZ3 3.9Å; L656-W695 HydrophobicContact CG-CZ3 4.39Å; L656-I709 HydrophobicContact CD2-CG2 3.8Å; L656-I712 VanDerWaalsContact O-CD1 3.29Å; L656-I712 WeakPolarHBondContact O-CD1 3.25Å
657D88.5Confident93.5Very high126 Ų12640.8 Ų40.867%0.67424%0.235SC*.THydrogen-bonded Turntrans-81.1-1.8173.167.5-5.6000113.2N655 S659N655-D657 VanDerWaalsContact CB-OD1 3.24Å; N655-D657 WeakPolarHBondContact CB-OD1 3.39Å; N655-D657 PolarHBondContact O-N 2.86Å; N655-D657 VanDerWaalsContact O-N 3.15Å; D657-S659 VanDerWaalsContact C-N 3.34Å; D657-S659 VanDerWaalsContact OD1-CB 3.26Å; D657-S659 WeakPolarHBondContact OD1-CB 3.39Å; D657-S659 PolarHBondContact OD1-N 3.06Å; D657-S659 PolarHBondContact OD1-OG 3.37Å; D657-S659 PolarHBondContact OD2-OG 2.81Å
658G86.8Confident93.2Very high35 Ų3542.2 Ų42.236%0.36125%0.245SC..SBendtrans85.90.8-178.200000114.4N655 L656N655-G658 PolarHBondContact O-N 2.9Å; L656-G658 PolarHBondContact O-N 3.18Å
659S91.8Very high93.1Very high48 Ų4841.2 Ų41.234%0.33624%0.242SC..  trans-73.6147.8172.167.30000111.4N655 D657N655-S659 WeakPolarHBondContact CB-OG 3.46Å; N655-S659 PolarHBondContact N-O 2.88Å; N655-S659 PolarHBondContact ND2-OG 3.01Å; D657-S659 VanDerWaalsContact C-N 3.34Å; D657-S659 VanDerWaalsContact OD1-CB 3.26Å; D657-S659 WeakPolarHBondContact OD1-CB 3.39Å; D657-S659 PolarHBondContact OD1-N 3.06Å; D657-S659 PolarHBondContact OD1-OG 3.37Å; D657-S659 PolarHBondContact OD2-OG 2.81Å
660E92.9Very high93Very high86 Ų8640.9 Ų40.940%0.40224%0.24SC..EExtended strand (participates in β ladder)trans-126.1139.4170.676.7-161.4152.500110.4T652 S653 F654 K715T652-E660 HydrophobicContact CG2-CB 4.47Å; S653-E660 CarbonylContact O-C 3.56Å; S653-E660 WeakPolarHBondContact O-CA 3.31Å; F654-E660 HydrophobicContact CD1-CB 4.14Å; F654-E660 HydrophobicContact CE1-CB 4.16Å; F654-E660 VanDerWaalsContact CE1-OE2 3.24Å; F654-E660 WeakPolarHBondContact CE1-OE2 3.48Å; E660-K715 IonicContact OE1-NZ 3.17Å; E660-K715 PolarHBondContact OE1-NZ 3.19Å; E660-K715 WeakPolarHBondContact OE2-CE 3.38Å; E660-K715 IonicContact OE2-NZ 3.32Å; E660-K715 PolarHBondContact OE2-NZ 2.93Å
661E95.1Very high92.9Very high79 Ų7940.2 Ų40.237%0.36923%0.232SC..EExtended strand (participates in β ladder)trans-145139-178.459.7-178.1178.700110.9S653 V663 R674S653-E661 PolarHBondContact N-O 3.19Å; S653-E661 PolarHBondContact O-N 2.96Å; E661-V663 HydrophobicContact CG-CG1 3.95Å; E661-V663 PolarHBondContact O-N 3.32Å; E661-R674 IonicContact OE1-CZ 2.71Å; E661-R674 IonicContact OE1-NH1 2.67Å; E661-R674 PolarHBondContact OE1-NH1 3.45Å; E661-R674 IonicContact OE1-NH2 3.64Å
662P95.6Very high92.7Very high117 Ų11742.1 Ų42.176%0.7624%0.244SC*.EExtended strand (participates in β ladder)trans-65.4127.6166.528.4-32.4000108.9
663V95.1Very high92.5Very high27 Ų2744 Ų4416%0.16425%0.253CS..EExtended strand (participates in β ladder)trans-114.3164.3178.9-66.10000110.6L651 S653 E661 L676L651-V663 HydrophobicContact CB-CG2 3.97Å; L651-V663 HydrophobicContact CD2-CG2 3.78Å; L651-V663 HydrophobicContact CG-CG2 3.66Å; L651-V663 WeakPolarHBondContact O-CG2 3.17Å; L651-V663 PolarHBondContact O-N 3.09Å; S653-V663 VanDerWaalsContact CB-CG1 3.47Å; E661-V663 HydrophobicContact CG-CG1 3.95Å; E661-V663 PolarHBondContact O-N 3.32Å; V663-L676 HydrophobicContact CG2-CD2 4.14Å
664L90.6Very high92.4Very high112 Ų11247 Ų4759%0.58626%0.264SS*.  trans-67.5144.5178.6-64.4175.2000110.3L651 D666 S669L651-L664 WeakPolarHBondContact CD2-O 3.43Å; L664-D666 HydrophobicContact CB-CB 3.97Å; L664-D666 PolarHBondContact O-N 2.74Å; L664-S669 WeakPolarHBondContact O-CB 3.38Å; L664-S669 PolarHBondContact O-OG 2.97Å
665L92.4Very high92.4Very high6 Ų646.7 Ų46.73%0.03126%0.264CS..SBendtrans-74.568.7171.6-170.870.4000110Q648 P649 L651 M678 K749 V750 N751Q648-L665 HydrophobicContact CG-CD2 4.41Å; P649-L665 HydrophobicContact CB-CD1 4.14Å; P649-L665 HydrophobicContact CB-CD2 4.01Å; P649-L665 HydrophobicContact CG-CD2 4.06Å; L651-L665 HydrophobicContact CB-CD1 4.29Å; L665-M678 HydrophobicContact CD1-SD 4.44Å; L665-K749 WeakPolarHBondContact CD2-O 3.33Å; L665-V750 HydrophobicContact CD1-CG1 4.26Å; L665-N751 WeakPolarHBondContact O-CB 3.44Å; L665-N751 PolarHBondContact O-N 3.5Å
666D91.9Very high92.6Very high15 Ų1545.9 Ų45.98%0.0826%0.259CS..BIsolated β-bridgetrans-143.4148.2-166.5-171.285000111.2L664 S668 S669 N751 S753L664-D666 HydrophobicContact CB-CB 3.97Å; L664-D666 PolarHBondContact O-N 2.74Å; D666-S668 PolarHBondContact O-N 2.87Å; D666-S668 WeakPolarHBondContact OD2-CB 3.35Å; D666-S668 PolarHBondContact OD2-N 3.31Å; D666-S668 PolarHBondContact OD2-OG 3.24Å; D666-S669 WeakPolarHBondContact O-CB 3.43Å; D666-S669 PolarHBondContact O-N 3.48Å; D666-N751 HydrophobicContact CB-CB 4.37Å; D666-N751 WeakPolarHBondContact OD1-CB 3.48Å; D666-N751 PolarHBondContact OD1-ND2 3.1Å; D666-S753 VanDerWaalsContact OD1-CB 3.28Å; D666-S753 WeakPolarHBondContact OD1-CB 3.35Å; D666-S753 PolarHBondContact OD1-OG 2.95Å; D666-S753 VanDerWaalsContact OD1-OG 3.13Å; D666-S753 PolarHBondContact OD2-OG 2.84Å
667S90.2Very high93Very high0 Ų043.7 Ų43.70%025%0.248CC..G310 helixtrans-57.5-29.417842.30000114S669 I670 N751 S753 L754 S768S667-S669 PolarHBondContact O-N 3.13Å; S667-I670 PolarHBondContact O-N 3.37Å; S667-N751 PolarHBondContact N-O 3.21Å; S667-N751 PolarHBondContact OG-O 2.86Å; S667-S753 PolarHBondContact OG-N 3.42Å; S667-S753 VanDerWaalsContact OG-N 3.13Å; S667-S753 PolarHBondContact OG-OG 2.84Å; S667-L754 PolarHBondContact OG-N 2.97Å; S667-S768 WeakPolarHBondContact CB-O 3.49Å
668S90.6Very high93.4Very high35 Ų3537.8 Ų37.825%0.24522%0.216CC..G310 helixtrans-65.4-22.3175620000113.4D666 I670 Q671D666-S668 PolarHBondContact O-N 2.87Å; D666-S668 WeakPolarHBondContact OD2-CB 3.35Å; D666-S668 PolarHBondContact OD2-N 3.31Å; D666-S668 PolarHBondContact OD2-OG 3.24Å; S668-I670 VanDerWaalsContact C-N 3.28Å; S668-I670 PolarHBondContact O-N 3.06Å; S668-Q671 PolarHBondContact O-NE2 2.89Å
669S93.4Very high93.9Very high14 Ų1436.4 Ų36.410%0.09820%0.2CC..G310 helixtrans-80-12.5177.5-61.50000112.6L664 D666 S667 Q671L664-S669 WeakPolarHBondContact O-CB 3.38Å; L664-S669 PolarHBondContact O-OG 2.97Å; D666-S669 WeakPolarHBondContact O-CB 3.43Å; D666-S669 PolarHBondContact O-N 3.48Å; S667-S669 PolarHBondContact O-N 3.13Å; S669-Q671 PolarHBondContact O-N 2.81Å; S669-Q671 VanDerWaalsContact O-N 3.08Å
670I93.4Very high94.1Very high1 Ų134.6 Ų34.61%0.00519%0.188CC..  trans-83.582.6176.9-50.6-179.9000109.4S667 S668 L676 Y687 L746 L747 V750 S768S667-I670 PolarHBondContact O-N 3.37Å; S668-I670 VanDerWaalsContact C-N 3.28Å; S668-I670 PolarHBondContact O-N 3.06Å; I670-L676 HydrophobicContact CB-CD1 4.45Å; I670-L676 HydrophobicContact CG1-CD1 4.11Å; I670-Y687 HydrophobicContact CG2-CD1 4.36Å; I670-Y687 HydrophobicContact CG2-CE1 3.5Å; I670-Y687 VanDerWaalsContact CG2-CE1 3.5Å; I670-Y687 WeakPolarHBondContact CG2-OH 3.43Å; I670-L746 HydrophobicContact CD1-CD2 4.07Å; I670-L746 HydrophobicContact CD1-CG 4.24Å; I670-L746 HydrophobicContact CG1-CD2 4.3Å; I670-L747 HydrophobicContact CD1-CD2 3.55Å; I670-V750 HydrophobicContact CD1-CG1 4.19Å; I670-V750 HydrophobicContact CD1-CG2 4.36Å; I670-S768 WeakPolarHBondContact CG2-OG 3.47Å; I670-S768 PolarHBondContact O-N 2.92Å
671Q93.6Very high94.3Very high32 Ų3230.6 Ų30.615%0.1517%0.169CC..  trans-98152.6179-62.7-64.7-36.600111.8S668 S669 D673 R674 S766S668-Q671 PolarHBondContact O-NE2 2.89Å; S669-Q671 PolarHBondContact O-N 2.81Å; S669-Q671 VanDerWaalsContact O-N 3.08Å; Q671-D673 VanDerWaalsContact C-N 3.34Å; Q671-D673 PolarHBondContact O-N 2.81Å; Q671-R674 HydrophobicContact CB-CB 4.47Å; Q671-R674 HydrophobicContact CB-CG 3.96Å; Q671-S766 PolarHBondContact OE1-O 2.96Å; Q671-S766 PolarHBondContact OE1-OG 3.22Å
672P94Very high94.4Very high44 Ų4428.1 Ų28.129%0.28616%0.157SC..THydrogen-bonded Turntrans-71.1-25.4-174.328.7-36.3000114G689 D690 T691 I692P672-G689 CarbonylContact O-C 3.11Å; P672-G689 WeakPolarHBondContact O-CA 3.37Å; P672-D690 HydrophobicContact CB-CB 3.94Å; P672-D690 PolarHBondContact O-N 3.43Å; P672-T691 WeakPolarHBondContact O-CA 3.22Å; P672-T691 VanDerWaalsContact O-CB 3.25Å; P672-T691 WeakPolarHBondContact O-CB 3.33Å; P672-T691 PolarHBondContact O-N 3.44Å; P672-I692 PolarHBondContact O-N 3.48Å
673D92.7Very high94.4Very high71 Ų7123.5 Ų23.538%0.3813%0.126SC..THydrogen-bonded Turntrans-100.813.2-173.863.9-32.4000113.9L656 Q671L656-D673 HydrophobicContact CD1-CB 4.32Å; Q671-D673 VanDerWaalsContact C-N 3.34Å; Q671-D673 PolarHBondContact O-N 2.81Å
674R93.7Very high94.5Very high62 Ų6222.2 Ų22.223%0.23412%0.118CC..EExtended strand (participates in β ladder)trans-121.1154.6-176-58.7-177.7178.7-142.7-1.8111.6S653 E661 Q671 G689S653-R674 VanDerWaalsContact OG-CD 3.31Å; S653-R674 WeakPolarHBondContact OG-CD 3.17Å; S653-R674 PolarHBondContact OG-NH1 2.81Å; E661-R674 IonicContact OE1-CZ 2.71Å; E661-R674 IonicContact OE1-NH1 2.67Å; E661-R674 PolarHBondContact OE1-NH1 3.45Å; E661-R674 IonicContact OE1-NH2 3.64Å; Q671-R674 HydrophobicContact CB-CB 4.47Å; Q671-R674 HydrophobicContact CB-CG 3.96Å; R674-G689 WeakPolarHBondContact O-CA 3.32Å; R674-G689 PolarHBondContact O-N 2.97Å
675V95.8Very high94.8Very high2 Ų216.9 Ų16.91%0.0129%0.09CC..EExtended strand (participates in β ladder)trans-107134.2162.21790000108.7F654 I686 Y687 E688 I692 L713 P716F654-V675 HydrophobicContact CB-CB 4.29Å; F654-V675 PolarHBondContact N-O 3.46Å; F654-V675 PolarHBondContact O-N 3.29Å; V675-I686 HydrophobicContact CG1-CG2 3.58Å; V675-Y687 CarbonylContact C-O 3.45Å; V675-Y687 WeakPolarHBondContact CA-O 3.39Å; V675-E688 HydrophobicContact CG2-CG 4.27Å; V675-I692 HydrophobicContact CG2-CG1 4.32Å; V675-I692 HydrophobicContact CG2-CG2 3.97Å; V675-L713 HydrophobicContact CB-CD2 4.44Å; V675-L713 HydrophobicContact CG2-CD2 3.29Å; V675-P716 HydrophobicContact CG1-CB 4.39Å; V675-P716 HydrophobicContact CG1-CG 3.87Å
676L97.3Very high95.1Very high1 Ų116.7 Ų16.71%0.0059%0.089CC..EExtended strand (participates in β ladder)trans-111.2134.8179.6-58.3171.6000110.2L651 T652 V663 I670 I686 Y687 L746L651-L676 HydrophobicContact CD1-CB 3.9Å; L651-L676 HydrophobicContact CD1-CD1 4.38Å; L651-L676 HydrophobicContact CD2-CD1 4.25Å; L651-L676 HydrophobicContact CD2-CD2 4.46Å; L651-L676 HydrophobicContact CG-CD2 4.32Å; T652-L676 CarbonylContact O-C 3.59Å; T652-L676 VanDerWaalsContact O-CA 3.31Å; T652-L676 WeakPolarHBondContact O-CA 3.29Å; V663-L676 HydrophobicContact CG2-CD2 4.14Å; I670-L676 HydrophobicContact CB-CD1 4.45Å; I670-L676 HydrophobicContact CG1-CD1 4.11Å; L676-I686 CarbonylContact O-C 3.59Å; L676-I686 VanDerWaalsContact O-CA 3.32Å; L676-I686 WeakPolarHBondContact O-CA 3.36Å; L676-Y687 HydrophobicContact CD1-CD1 4.04Å; L676-Y687 HydrophobicContact CG-CD1 4.43Å; L676-Y687 PolarHBondContact N-O 2.95Å; L676-Y687 PolarHBondContact O-N 3.21Å; L676-L746 HydrophobicContact CD1-CD2 4.04Å
677L97.7Very high95.3Very high5 Ų516.2 Ų16.23%0.0269%0.086CC..EExtended strand (participates in β ladder)trans-106.3114.3166.5178.362.4000108.5L651 T652 F654 I684 L685 I686 P716 E719 A720 L723L651-L677 WeakPolarHBondContact CA-O 3.35Å; T652-L677 PolarHBondContact N-O 3Å; T652-L677 PolarHBondContact O-N 3.17Å; F654-L677 HydrophobicContact CD2-CB 4.45Å; F654-L677 HydrophobicContact CE2-CB 3.65Å; F654-L677 HydrophobicContact CE2-CD2 4.32Å; F654-L677 HydrophobicContact CZ-CD2 4.39Å; L677-I684 HydrophobicContact CD1-CG2 3.72Å; L677-L685 CarbonylContact C-O 3.5Å; L677-L685 WeakPolarHBondContact CA-O 3.29Å; L677-I686 HydrophobicContact CD1-CG1 3.84Å; L677-P716 HydrophobicContact CB-CB 4.46Å; L677-E719 HydrophobicContact CD2-CB 3.84Å; L677-A720 HydrophobicContact CD1-CB 4Å; L677-L723 HydrophobicContact CD2-CD1 4.35Å
678M97.8Very high95.6Very high1 Ų116.6 Ų16.61%0.0059%0.088CC..EExtended strand (participates in β ladder)trans-101127.1173.3-174.4-175.965.600110P649 S650 L651 L665 L683 I684 L685 L746 K749P649-M678 HydrophobicContact CB-CG 4.03Å; P649-M678 HydrophobicContact CB-SD 4.28Å; S650-M678 VanDerWaalsContact O-CA 3.31Å; S650-M678 WeakPolarHBondContact O-CA 3.24Å; L651-M678 HydrophobicContact CD1-CB 3.8Å; L651-M678 HydrophobicContact CD1-CG 4.33Å; L665-M678 HydrophobicContact CD1-SD 4.44Å; M678-L683 HydrophobicContact CE-CD2 3.91Å; M678-L683 HydrophobicContact CE-CG 4.46Å; M678-I684 WeakPolarHBondContact O-CA 3.4Å; M678-L685 HydrophobicContact CB-CB 4.37Å; M678-L685 HydrophobicContact CE-CB 4.01Å; M678-L685 HydrophobicContact CE-CD1 4.39Å; M678-L685 PolarHBondContact N-O 3.39Å; M678-L685 PolarHBondContact O-N 3.36Å; M678-L746 HydrophobicContact CB-CD1 4.25Å; M678-L746 HydrophobicContact CG-CD1 4.33Å; M678-L746 HydrophobicContact SD-CD1 3.6Å; M678-L746 VanDerWaalsContact SD-CD1 3.6Å; M678-K749 HydrophobicContact SD-CB 4.13Å; M678-K749 HydrophobicContact SD-CG 4.3Å
679D97.3Very high95.8Very high6 Ų614.9 Ų14.93%0.0328%0.076CC..EExtended strand (participates in β ladder)trans-115114.1169.1-178.71.9000109.9P649 S650 F681 I684 L723 R727P649-D679 CarbonylContact C-O 3.43Å; P649-D679 VanDerWaalsContact CA-O 3.27Å; P649-D679 WeakPolarHBondContact CA-O 2.99Å; P649-D679 WeakPolarHBondContact CB-O 3.28Å; S650-D679 PolarHBondContact N-O 3.05Å; S650-D679 PolarHBondContact O-N 3.17Å; D679-F681 WeakPolarHBondContact OD1-CA 3.38Å; D679-F681 PolarHBondContact OD1-N 2.77Å; D679-I684 HydrophobicContact CB-CD1 3.68Å; D679-I684 WeakPolarHBondContact OD1-CD1 3.41Å; D679-L723 HydrophobicContact CB-CD1 4.23Å; D679-R727 IonicContact OD1-NE 3.3Å; D679-R727 IonicContact OD1-NH2 2.64Å; D679-R727 IonicContact OD2-CZ 3.57Å; D679-R727 IonicContact OD2-NE 3.6Å; D679-R727 IonicContact OD2-NH2 3.47Å; D679-R727 PolarHBondContact OD2-NH2 3.46Å
680S96.2Very high95.9Very high10 Ų1016.3 Ų16.37%0.078%0.083CC..  trans-112.317.6177.463.60000112.9L645 F682 L683L645-S680 CarbonylContact O-C 3.55Å; L645-S680 WeakPolarHBondContact O-CA 3.3Å; S680-F682 PolarHBondContact O-N 3.4Å; S680-L683 PolarHBondContact N-O 2.84Å; S680-L683 WeakPolarHBondContact OG-CB 3.46Å; S680-L683 PolarHBondContact OG-N 3.38Å; S680-L683 VanDerWaalsContact OG-N 3.13Å; S680-L683 PolarHBondContact OG-O 3.2Å
681F97.1Very high95.9Very high2 Ų218.1 Ų18.11%0.0099%0.094CC..SBendtrans63.7-49.9-166.7-178.3-79.6000114.4V634 E638 N642 L645 M646 D679 F728 S731V634-F681 HydrophobicContact CG1-CD1 4.32Å; V634-F681 HydrophobicContact CG1-CE1 3.5Å; V634-F681 HydrophobicContact CG1-CZ 3.93Å; E638-F681 HydrophobicContact CG-CE2 3.93Å; E638-F681 HydrophobicContact CG-CZ 3.74Å; N642-F681 HydrophobicContact CB-CD2 3.7Å; N642-F681 HydrophobicContact CB-CE2 3.73Å; L645-F681 HydrophobicContact CB-CB 4.29Å; M646-F681 HydrophobicContact CE-CB 4.38Å; M646-F681 HydrophobicContact CE-CD1 3.58Å; M646-F681 HydrophobicContact CE-CD2 3.77Å; M646-F681 HydrophobicContact CE-CE1 3.69Å; M646-F681 HydrophobicContact CE-CE2 3.83Å; M646-F681 HydrophobicContact CE-CG 3.64Å; M646-F681 HydrophobicContact CE-CZ 3.79Å; M646-F681 HydrophobicContact CG-CB 3.64Å; M646-F681 HydrophobicContact CG-CD1 4.04Å; M646-F681 HydrophobicContact CG-CG 3.88Å; M646-F681 HydrophobicContact SD-CD1 4.36Å; D679-F681 WeakPolarHBondContact OD1-CA 3.38Å; D679-F681 PolarHBondContact OD1-N 2.77Å; F681-F728 WeakPolarHBondContact CZ-O 3.45Å; F681-S731 VanDerWaalsContact O-CB 3.29Å; F681-S731 WeakPolarHBondContact O-CB 3.28Å; F681-S731 PolarHBondContact O-OG 2.62Å
682F95.8Very high95.8Very high27 Ų2716.7 Ų16.712%0.1189%0.087CC..SBendtrans-80.2-27.2179.9-62.4-70.5000113.1F617 Y630 Y631 V634 M646 S680 R732F617-F682 HydrophobicContact CZ-CE2 4.1Å; Y630-F682 HydrophobicContact CE1-CD1 4.08Å; Y630-F682 AromaticContact CE1-CE1 3.96Å; Y630-F682 HydrophobicContact CE1-CE1 3.96Å; Y631-F682 AromaticContact CD1-CD1 3.92Å; Y631-F682 HydrophobicContact CD1-CD1 3.92Å; Y631-F682 HydrophobicContact CD1-CD2 4.06Å; Y631-F682 AromaticContact CD1-CE1 3.65Å; Y631-F682 HydrophobicContact CD1-CE1 3.65Å; Y631-F682 AromaticContact CD1-CE2 3.79Å; Y631-F682 HydrophobicContact CD1-CE2 3.79Å; Y631-F682 HydrophobicContact CD1-CG 4.12Å; Y631-F682 AromaticContact CD1-CZ 3.59Å; Y631-F682 HydrophobicContact CD1-CZ 3.59Å; Y631-F682 AromaticContact CE1-CD1 3.9Å; Y631-F682 HydrophobicContact CE1-CD1 3.9Å; Y631-F682 HydrophobicContact CE1-CD2 4.2Å; Y631-F682 HydrophobicContact CE1-CE1 4.12Å; Y631-F682 HydrophobicContact CE1-CE2 4.39Å; Y631-F682 AromaticContact CE1-CG 3.95Å; Y631-F682 HydrophobicContact CE1-CG 3.95Å; Y631-F682 HydrophobicContact CE1-CZ 4.36Å; Y631-F682 HydrophobicContact CG-CZ 4.48Å; V634-F682 HydrophobicContact CB-CE1 3.93Å; V634-F682 HydrophobicContact CB-CZ 3.9Å; V634-F682 HydrophobicContact CG1-CE1 3.74Å; V634-F682 HydrophobicContact CG1-CZ 3.78Å; V634-F682 HydrophobicContact CG2-CE1 4.1Å; M646-F682 HydrophobicContact CB-CE2 4.02Å; M646-F682 HydrophobicContact CG-CD2 4.18Å; M646-F682 HydrophobicContact CG-CE2 3.55Å; M646-F682 HydrophobicContact CG-CZ 4.14Å; M646-F682 HydrophobicContact SD-CE2 3.75Å; M646-F682 HydrophobicContact SD-CZ 3.77Å; S680-F682 PolarHBondContact O-N 3.4Å; F682-R732 PolarHBondContact O-N 3Å
683L96Very high95.8Very high20 Ų2014.8 Ų14.811%0.1058%0.075CC..EExtended strand (participates in β ladder)trans-135.9125.5-178.7170.770.2000109.5M678 S680 L685 R732 V734 F745M678-L683 HydrophobicContact CE-CD2 3.91Å; M678-L683 HydrophobicContact CE-CG 4.46Å; S680-L683 PolarHBondContact N-O 2.84Å; S680-L683 WeakPolarHBondContact OG-CB 3.46Å; S680-L683 PolarHBondContact OG-N 3.38Å; S680-L683 VanDerWaalsContact OG-N 3.13Å; S680-L683 PolarHBondContact OG-O 3.2Å; L683-L685 HydrophobicContact CD1-CB 4.39Å; L683-L685 HydrophobicContact CD2-CB 4.23Å; L683-L685 HydrophobicContact CD2-CD1 4.09Å; L683-L685 HydrophobicContact CG-CB 4.08Å; L683-R732 CarbonylContact C-O 3.53Å; L683-R732 WeakPolarHBondContact CA-O 3.44Å; L683-R732 HydrophobicContact CD1-CB 4.05Å; L683-R732 HydrophobicContact CD1-CG 4.11Å; L683-R732 WeakPolarHBondContact CD1-O 3.43Å; L683-V734 HydrophobicContact CD1-CB 3.96Å; L683-V734 HydrophobicContact CD1-CG2 3.56Å; L683-F745 HydrophobicContact CD2-CB 3.61Å; L683-F745 HydrophobicContact CD2-CD2 4.21Å; L683-F745 HydrophobicContact CD2-CG 3.93Å
684I97.3Very high95.8Very high0 Ų016.9 Ų16.90%08%0.081CC..EExtended strand (participates in β ladder)trans-99.7118.4162.9-56.1-58.2000107L677 M678 D679 A720 L723 L724 R732 Y733 V734L677-I684 HydrophobicContact CD1-CG2 3.72Å; M678-I684 WeakPolarHBondContact O-CA 3.4Å; D679-I684 HydrophobicContact CB-CD1 3.68Å; D679-I684 WeakPolarHBondContact OD1-CD1 3.41Å; I684-A720 HydrophobicContact CG2-CB 3.6Å; I684-L723 HydrophobicContact CD1-CB 4.24Å; I684-L723 HydrophobicContact CD1-CD1 4.03Å; I684-L724 HydrophobicContact CG1-CD2 4.14Å; I684-L724 HydrophobicContact CG1-CG 4.39Å; I684-R732 PolarHBondContact N-O 3.32Å; I684-Y733 HydrophobicContact CB-CD2 4.33Å; I684-Y733 HydrophobicContact CG2-CD2 4.17Å; I684-Y733 HydrophobicContact CG2-CE2 4.49Å; I684-Y733 WeakPolarHBondContact O-CA 3.41Å; I684-V734 PolarHBondContact O-N 3.3Å
685L97.5Very high95.8Very high1 Ų118 Ų181%0.0059%0.085CC..EExtended strand (participates in β ladder)trans-126.2127.3-175.6-179.7151.1000110.8L677 M678 L683 V734 T736 F745 L746L677-L685 CarbonylContact C-O 3.5Å; L677-L685 WeakPolarHBondContact CA-O 3.29Å; M678-L685 HydrophobicContact CB-CB 4.37Å; M678-L685 HydrophobicContact CE-CB 4.01Å; M678-L685 HydrophobicContact CE-CD1 4.39Å; M678-L685 PolarHBondContact N-O 3.39Å; M678-L685 PolarHBondContact O-N 3.36Å; L683-L685 HydrophobicContact CD1-CB 4.39Å; L683-L685 HydrophobicContact CD2-CB 4.23Å; L683-L685 HydrophobicContact CD2-CD1 4.09Å; L683-L685 HydrophobicContact CG-CB 4.08Å; L685-V734 CarbonylContact C-O 3.56Å; L685-V734 VanDerWaalsContact CA-O 3.25Å; L685-V734 WeakPolarHBondContact CA-O 3.42Å; L685-V734 HydrophobicContact CD1-CB 4.45Å; L685-V734 HydrophobicContact CD1-CG1 4.25Å; L685-V734 HydrophobicContact CG-CB 4.47Å; L685-V734 HydrophobicContact CG-CG1 4.47Å; L685-T736 HydrophobicContact CD1-CG2 4.17Å; L685-T736 HydrophobicContact CD2-CG2 4.05Å; L685-T736 HydrophobicContact CG-CG2 4.18Å; L685-F745 HydrophobicContact CD1-CB 3.63Å; L685-F745 HydrophobicContact CD1-CD2 4.34Å; L685-L746 HydrophobicContact CD2-CB 4.08Å
686I97.5Very high95.5Very high2 Ų222 Ų221%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-100.2123.6168-60178000107.8V675 L676 L677 P716 R717 A720 Y733 V734 E735 T736V675-I686 HydrophobicContact CG1-CG2 3.58Å; L676-I686 CarbonylContact O-C 3.59Å; L676-I686 VanDerWaalsContact O-CA 3.32Å; L676-I686 WeakPolarHBondContact O-CA 3.36Å; L677-I686 HydrophobicContact CD1-CG1 3.84Å; I686-P716 HydrophobicContact CD1-CB 4.11Å; I686-P716 HydrophobicContact CG1-CB 4.4Å; I686-P716 HydrophobicContact CG2-CB 4.47Å; I686-R717 HydrophobicContact CD1-CB 4.28Å; I686-R717 HydrophobicContact CD1-CG 3.71Å; I686-A720 HydrophobicContact CD1-CB 4.26Å; I686-Y733 HydrophobicContact CD1-CE2 4.09Å; I686-Y733 WeakPolarHBondContact CD1-OH 3.33Å; I686-Y733 HydrophobicContact CG1-CE2 4.42Å; I686-V734 PolarHBondContact N-O 2.99Å; I686-E735 HydrophobicContact CB-CG 4.25Å; I686-E735 HydrophobicContact CD1-CG 4.39Å; I686-E735 WeakPolarHBondContact O-CA 3.34Å; I686-T736 PolarHBondContact O-N 2.99Å
687Y97.2Very high95.3Very high5 Ų528.8 Ų28.82%0.0213%0.132CC..EExtended strand (participates in β ladder)trans-114.4118.8177.4174.6-87.4000109.9I670 V675 L676 T736 H738 A743 L746I670-Y687 HydrophobicContact CG2-CD1 4.36Å; I670-Y687 HydrophobicContact CG2-CE1 3.5Å; I670-Y687 VanDerWaalsContact CG2-CE1 3.5Å; I670-Y687 WeakPolarHBondContact CG2-OH 3.43Å; V675-Y687 CarbonylContact C-O 3.45Å; V675-Y687 WeakPolarHBondContact CA-O 3.39Å; L676-Y687 HydrophobicContact CD1-CD1 4.04Å; L676-Y687 HydrophobicContact CG-CD1 4.43Å; L676-Y687 PolarHBondContact N-O 2.95Å; L676-Y687 PolarHBondContact O-N 3.21Å; Y687-T736 CarbonylContact C-O 3.59Å; Y687-T736 VanDerWaalsContact CA-O 3.31Å; Y687-T736 WeakPolarHBondContact CA-O 3.44Å; Y687-T736 HydrophobicContact CD2-CG2 4.02Å; Y687-H738 WeakPolarHBondContact OH-CA 3.47Å; Y687-H738 WeakPolarHBondContact OH-CB 3.43Å; Y687-H738 PolarHBondContact OH-ND1 3.14Å; Y687-A743 HydrophobicContact CD2-CB 4.19Å; Y687-A743 HydrophobicContact CE2-CB 3.88Å; Y687-L746 HydrophobicContact CD1-CD2 4.15Å; Y687-L746 HydrophobicContact CD2-CD2 3.92Å; Y687-L746 HydrophobicContact CG-CD2 3.68Å
688E95.7Very high95.1Very high7 Ų731.1 Ų31.13%0.03315%0.152CC..EExtended strand (participates in β ladder)trans-90.3121.5173.9-63.7175.7170.700109.8V675 I692 K696 R717 T736 E737 H738V675-E688 HydrophobicContact CG2-CG 4.27Å; E688-I692 HydrophobicContact CB-CB 4.47Å; E688-I692 HydrophobicContact CB-CG2 4.14Å; E688-I692 HydrophobicContact CG-CG2 4.36Å; E688-K696 IonicContact OE1-NZ 2.86Å; E688-K696 PolarHBondContact OE1-NZ 2.99Å; E688-K696 VanDerWaalsContact OE2-CD 3.23Å; E688-K696 WeakPolarHBondContact OE2-CD 3.39Å; E688-K696 IonicContact OE2-NZ 2.77Å; E688-K696 PolarHBondContact OE2-NZ 3.46Å; E688-R717 IonicContact OE1-NH2 2.72Å; E688-R717 PolarHBondContact OE1-NH2 3.08Å; E688-R717 VanDerWaalsContact OE1-NH2 3.17Å; E688-T736 PolarHBondContact N-O 2.62Å; E688-E737 HydrophobicContact CB-CB 4.23Å; E688-E737 CarbonylContact O-C 3.55Å; E688-E737 WeakPolarHBondContact O-CA 3.44Å; E688-H738 PolarHBondContact O-N 2.54Å
689G95Very high94.7Very high0 Ų032.2 Ų32.20%016%0.164CC..  trans-61.6163175.700000113.4P672 R674 T691 I692 A693P672-G689 CarbonylContact O-C 3.11Å; P672-G689 WeakPolarHBondContact O-CA 3.37Å; R674-G689 WeakPolarHBondContact O-CA 3.32Å; R674-G689 PolarHBondContact O-N 2.97Å; G689-T691 PolarHBondContact O-N 2.62Å; G689-I692 WeakPolarHBondContact O-CB 3.44Å; G689-I692 PolarHBondContact O-N 2.97Å; G689-I692 VanDerWaalsContact O-N 3.1Å; G689-A693 WeakPolarHBondContact O-CB 3.2Å; G689-A693 PolarHBondContact O-N 3.04Å
690D95Very high94.3Very high43 Ų4336.7 Ų36.723%0.2318%0.181CC..Hα-helixtrans-53-47.5-174.3-179.539.7000114P672 A693 K694 H738P672-D690 HydrophobicContact CB-CB 3.94Å; P672-D690 PolarHBondContact O-N 3.43Å; D690-A693 PolarHBondContact O-N 3.47Å; D690-K694 VanDerWaalsContact CG-NZ 3.27Å; D690-K694 WeakPolarHBondContact O-CB 3.45Å; D690-K694 VanDerWaalsContact O-CG 3.32Å; D690-K694 WeakPolarHBondContact O-CG 3.47Å; D690-K694 PolarHBondContact O-N 3.26Å; D690-K694 WeakPolarHBondContact OD1-CE 3.27Å; D690-K694 IonicContact OD1-NZ 2.84Å; D690-K694 PolarHBondContact OD1-NZ 3.38Å; D690-K694 VanDerWaalsContact OD1-NZ 3.1Å; D690-K694 IonicContact OD2-NZ 3.35Å; D690-K694 PolarHBondContact OD2-NZ 3.35Å; D690-H738 HydrophobicContact CB-CB 3.99Å; D690-H738 IonicContact OD1-CD2 3.68Å
691T93.5Very high93.8Very high40 Ų4037.1 Ų37.125%0.24518%0.182CC..Hα-helixtrans-63.5-44.2178.2-58.40000111P672 G689 K694 W695P672-T691 WeakPolarHBondContact O-CA 3.22Å; P672-T691 VanDerWaalsContact O-CB 3.25Å; P672-T691 WeakPolarHBondContact O-CB 3.33Å; P672-T691 PolarHBondContact O-N 3.44Å; G689-T691 PolarHBondContact O-N 2.62Å; T691-K694 PolarHBondContact O-N 3Å; T691-W695 HydrophobicContact CG2-CD2 4.06Å; T691-W695 VanDerWaalsContact CG2-CE2 3.49Å; T691-W695 HydrophobicContact CG2-CH2 4.28Å; T691-W695 HydrophobicContact CG2-CZ2 3.62Å; T691-W695 VanDerWaalsContact O-CG 3.28Å; T691-W695 PolarHBondContact O-N 2.95Å
692I92.8Very high93.4Very high2 Ų242.7 Ų42.71%0.0121%0.212CC..Hα-helixtrans-61.9-46.7178.4-56.2-58000110.8L656 P672 V675 E688 G689 K694 W695 K696 L713L656-I692 HydrophobicContact CD1-CD1 4.15Å; L656-I692 HydrophobicContact CD2-CD1 3.54Å; L656-I692 HydrophobicContact CG-CD1 4.01Å; P672-I692 PolarHBondContact O-N 3.48Å; V675-I692 HydrophobicContact CG2-CG1 4.32Å; V675-I692 HydrophobicContact CG2-CG2 3.97Å; E688-I692 HydrophobicContact CB-CB 4.47Å; E688-I692 HydrophobicContact CB-CG2 4.14Å; E688-I692 HydrophobicContact CG-CG2 4.36Å; G689-I692 WeakPolarHBondContact O-CB 3.44Å; G689-I692 PolarHBondContact O-N 2.97Å; G689-I692 VanDerWaalsContact O-N 3.1Å; I692-K694 VanDerWaalsContact C-N 3.35Å; I692-K694 PolarHBondContact O-N 3.32Å; I692-W695 HydrophobicContact CD1-CE3 4.44Å; I692-W695 PolarHBondContact O-N 3.34Å; I692-K696 WeakPolarHBondContact O-CB 3.33Å; I692-K696 PolarHBondContact O-N 3.08Å; I692-L713 HydrophobicContact CD1-CD2 4.49Å; I692-L713 HydrophobicContact CG2-CD1 4.1Å; I692-L713 HydrophobicContact CG2-CD2 3.73Å
693A92.7Very high93.1Very high3 Ų344.9 Ų44.93%0.02522%0.224CC..Hα-helixtrans-60.6-43.2177.900000111.7G689 D690 K696 K697 E737G689-A693 WeakPolarHBondContact O-CB 3.2Å; G689-A693 PolarHBondContact O-N 3.04Å; D690-A693 PolarHBondContact O-N 3.47Å; A693-K696 PolarHBondContact O-N 3.39Å; A693-K697 WeakPolarHBondContact O-CB 3.46Å; A693-K697 WeakPolarHBondContact O-CG 3.23Å; A693-K697 PolarHBondContact O-N 3.13Å; A693-E737 HydrophobicContact CB-CB 3.8Å
694K94.3Very high92.8Very high116 Ų11649.8 Ų49.850%0.50426%0.256SS..Hα-helixtrans-62.2-44.1174.9-76.9168.7177.3161.20112.1D690 T691 I692 K697 A698D690-K694 VanDerWaalsContact CG-NZ 3.27Å; D690-K694 WeakPolarHBondContact O-CB 3.45Å; D690-K694 VanDerWaalsContact O-CG 3.32Å; D690-K694 WeakPolarHBondContact O-CG 3.47Å; D690-K694 PolarHBondContact O-N 3.26Å; D690-K694 WeakPolarHBondContact OD1-CE 3.27Å; D690-K694 IonicContact OD1-NZ 2.84Å; D690-K694 PolarHBondContact OD1-NZ 3.38Å; D690-K694 VanDerWaalsContact OD1-NZ 3.1Å; D690-K694 IonicContact OD2-NZ 3.35Å; D690-K694 PolarHBondContact OD2-NZ 3.35Å; T691-K694 PolarHBondContact O-N 3Å; I692-K694 VanDerWaalsContact C-N 3.35Å; I692-K694 PolarHBondContact O-N 3.32Å; K694-K697 PolarHBondContact O-N 3.34Å; K694-A698 WeakPolarHBondContact O-CB 3.39Å; K694-A698 PolarHBondContact O-N 3.22Å
695W92Very high92.4Very high86 Ų8655.9 Ų55.933%0.32629%0.285SS..Hα-helixtrans-65.1-39.5178.3-70.2-1.7000112.8L656 T691 I692 A698 G699 Y700 I709L656-W695 HydrophobicContact CD1-CH2 3.68Å; L656-W695 HydrophobicContact CD1-CZ3 3.56Å; L656-W695 HydrophobicContact CD2-CZ3 3.9Å; L656-W695 HydrophobicContact CG-CZ3 4.39Å; T691-W695 HydrophobicContact CG2-CD2 4.06Å; T691-W695 VanDerWaalsContact CG2-CE2 3.49Å; T691-W695 HydrophobicContact CG2-CH2 4.28Å; T691-W695 HydrophobicContact CG2-CZ2 3.62Å; T691-W695 VanDerWaalsContact O-CG 3.28Å; T691-W695 PolarHBondContact O-N 2.95Å; I692-W695 HydrophobicContact CD1-CE3 4.44Å; I692-W695 PolarHBondContact O-N 3.34Å; W695-A698 PolarHBondContact O-N 2.83Å; W695-G699 PolarHBondContact O-N 3.47Å; W695-Y700 HydrophobicContact CB-CD2 4.08Å; W695-Y700 AromaticContact CD1-CD2 3.88Å; W695-Y700 HydrophobicContact CG-CD2 4.03Å; W695-Y700 PolarHBondContact O-N 2.97Å; W695-Y700 VanDerWaalsContact O-N 3.12Å; W695-I709 HydrophobicContact CZ3-CD1 4.13Å
696K90.5Very high91.9Very high84 Ų8459.7 Ų59.737%0.36530%0.3SS..Hα-helixtrans-62.1-48173.9-174175.2-179.5-178.90111.4E688 I692 A693 A698 G699 L701E688-K696 IonicContact OE1-NZ 2.86Å; E688-K696 PolarHBondContact OE1-NZ 2.99Å; E688-K696 VanDerWaalsContact OE2-CD 3.23Å; E688-K696 WeakPolarHBondContact OE2-CD 3.39Å; E688-K696 IonicContact OE2-NZ 2.77Å; E688-K696 PolarHBondContact OE2-NZ 3.46Å; I692-K696 WeakPolarHBondContact O-CB 3.33Å; I692-K696 PolarHBondContact O-N 3.08Å; A693-K696 PolarHBondContact O-N 3.39Å; K696-A698 VanDerWaalsContact C-N 3.3Å; K696-A698 PolarHBondContact O-N 2.91Å; K696-G699 PolarHBondContact O-N 2.73Å; K696-L701 HydrophobicContact CB-CD1 3.69Å; K696-L701 HydrophobicContact CD-CD1 4.48Å; K696-L701 HydrophobicContact CG-CD1 3.97Å
697K92.2Very high91.3Very high144 Ų14461.8 Ų61.863%0.62632%0.317SS*.Hα-helixtrans-63.2-33.7176.6-73.4172.5-176.8168.90113.1A693 K694 G699 E737A693-K697 WeakPolarHBondContact O-CB 3.46Å; A693-K697 WeakPolarHBondContact O-CG 3.23Å; A693-K697 PolarHBondContact O-N 3.13Å; K694-K697 PolarHBondContact O-N 3.34Å; K697-G699 PolarHBondContact O-N 3.1Å; K697-E737 WeakPolarHBondContact CE-OE1 3.37Å; K697-E737 VanDerWaalsContact CE-OE2 3.25Å; K697-E737 WeakPolarHBondContact CE-OE2 3.32Å; K697-E737 IonicContact NZ-OE1 2.67Å; K697-E737 PolarHBondContact NZ-OE1 2.97Å; K697-E737 IonicContact NZ-OE2 3.1Å; K697-E737 PolarHBondContact NZ-OE2 3.01Å
698A93.3Very high90.7Very high54 Ų5466.4 Ų66.445%0.44634%0.339SS..THydrogen-bonded Turntrans-74.9-6.8175.100000113.7K694 W695 K696 Y700K694-A698 WeakPolarHBondContact O-CB 3.39Å; K694-A698 PolarHBondContact O-N 3.22Å; W695-A698 PolarHBondContact O-N 2.83Å; K696-A698 VanDerWaalsContact C-N 3.3Å; K696-A698 PolarHBondContact O-N 2.91Å; A698-Y700 VanDerWaalsContact C-N 3.29Å; A698-Y700 HydrophobicContact CB-CD2 3.95Å; A698-Y700 HydrophobicContact CB-CE1 4.38Å; A698-Y700 HydrophobicContact CB-CE2 3.81Å; A698-Y700 HydrophobicContact CB-CG 4.29Å; A698-Y700 PolarHBondContact O-N 3.15Å
699G91.3Very high90.2Very high25 Ų2566.7 Ų66.726%0.25834%0.341SS..THydrogen-bonded Turntrans75.811.5-179.900000114.5W695 K696 K697 L701 D702W695-G699 PolarHBondContact O-N 3.47Å; K696-G699 PolarHBondContact O-N 2.73Å; K697-G699 PolarHBondContact O-N 3.1Å; G699-L701 VanDerWaalsContact C-N 3.27Å; G699-L701 PolarHBondContact O-N 3.09Å; G699-D702 PolarHBondContact O-N 2.92Å
700Y88.8Confident89.8Confident100 Ų10070.8 Ų70.839%0.39236%0.359SS..G310 helixtrans-61.6-37.7179.6-65-35.2000111.7W695 A698 D702 M703 Y706W695-Y700 HydrophobicContact CB-CD2 4.08Å; W695-Y700 AromaticContact CD1-CD2 3.88Å; W695-Y700 HydrophobicContact CG-CD2 4.03Å; W695-Y700 PolarHBondContact O-N 2.97Å; W695-Y700 VanDerWaalsContact O-N 3.12Å; A698-Y700 VanDerWaalsContact C-N 3.29Å; A698-Y700 HydrophobicContact CB-CD2 3.95Å; A698-Y700 HydrophobicContact CB-CE1 4.38Å; A698-Y700 HydrophobicContact CB-CE2 3.81Å; A698-Y700 HydrophobicContact CB-CG 4.29Å; A698-Y700 PolarHBondContact O-N 3.15Å; Y700-D702 PolarHBondContact O-N 2.71Å; Y700-D702 VanDerWaalsContact O-N 3.09Å; Y700-M703 HydrophobicContact CD1-CE 3.86Å; Y700-M703 HydrophobicContact CD1-SD 4.04Å; Y700-M703 HydrophobicContact CE1-CE 4.3Å; Y700-M703 WeakPolarHBondContact O-CB 3.31Å; Y700-M703 PolarHBondContact O-N 3.25Å; Y700-Y706 HydrophobicContact CD1-CE2 4.43Å; Y700-Y706 HydrophobicContact CG-CE2 4.44Å; Y700-Y706 WeakPolarHBondContact O-CB 3.39Å; Y700-Y706 WeakPolarHBondContact O-CD2 3.33Å
701L85.3Confident89.4Confident18 Ų1875.7 Ų75.79%0.09438%0.38CS..G310 helixtrans-64.2-17.9-178.2-58-179.3000114.1K696 G699 I709 K710 L713K696-L701 HydrophobicContact CB-CD1 3.69Å; K696-L701 HydrophobicContact CD-CD1 4.48Å; K696-L701 HydrophobicContact CG-CD1 3.97Å; G699-L701 VanDerWaalsContact C-N 3.27Å; G699-L701 PolarHBondContact O-N 3.09Å; L701-I709 HydrophobicContact CD2-CB 4.17Å; L701-I709 HydrophobicContact CD2-CG2 3.61Å; L701-K710 WeakPolarHBondContact O-CD 3.42Å; L701-L713 HydrophobicContact CD1-CD1 3.33Å; L701-L713 HydrophobicContact CD2-CD1 3.56Å; L701-L713 HydrophobicContact CG-CD1 4.08Å
702D87.8Confident89Confident120 Ų12075.2 Ų75.264%0.64238%0.376SS*.G310 helixtrans-92.6-7.8176.9-66.7-43.1000113.2G699 Y700 K710G699-D702 PolarHBondContact O-N 2.92Å; Y700-D702 PolarHBondContact O-N 2.71Å; Y700-D702 VanDerWaalsContact O-N 3.09Å; D702-K710 IonicContact OD1-NZ 3.86Å; D702-K710 PolarHBondContact OD1-NZ 3.43Å
703M90.3Very high88.7Confident73 Ų7375.6 Ų75.636%0.3638%0.378SS..SBendtrans-77.5137.2175.9-53.6-179.717700110.1Y700 E705 Y706Y700-M703 HydrophobicContact CD1-CE 3.86Å; Y700-M703 HydrophobicContact CD1-SD 4.04Å; Y700-M703 HydrophobicContact CE1-CE 4.3Å; Y700-M703 WeakPolarHBondContact O-CB 3.31Å; Y700-M703 PolarHBondContact O-N 3.25Å; M703-E705 HydrophobicContact CB-CG 3.98Å; M703-E705 PolarHBondContact O-N 3.4Å; M703-Y706 HydrophobicContact CB-CD2 4.04Å; M703-Y706 PolarHBondContact O-N 2.77Å; M703-Y706 HydrophobicContact SD-CD2 4.47Å; M703-Y706 HydrophobicContact SD-CE2 4.2Å
704P89.1Confident88.6Confident122 Ų12278.9 Ų78.979%0.79240%0.395SS*.G310 helixtrans-55.1-30.5-177.3-27.934.6000114.8Y706 A707P704-Y706 VanDerWaalsContact C-N 3.29Å; P704-Y706 PolarHBondContact O-N 3.28Å; P704-A707 VanDerWaalsContact O-CB 3.29Å; P704-A707 WeakPolarHBondContact O-CB 3.35Å; P704-A707 PolarHBondContact O-N 3.18Å
705E88.8Confident88.6Confident129 Ų12976.9 Ų76.960%0.60339%0.386SS*.G310 helixtrans-66.1-26.3178.157.5-169.1-152.400113.7M703 H708M703-E705 HydrophobicContact CB-CG 3.98Å; M703-E705 PolarHBondContact O-N 3.4Å; E705-H708 PolarHBondContact O-ND1 3.06Å
706Y86.4Confident88.7Confident80 Ų8072.8 Ų72.831%0.31437%0.37SS..G310 helixtrans-102.916.3176.8-55.9-69.4000113.1Y700 M703 P704 H708 I709 K710Y700-Y706 HydrophobicContact CD1-CE2 4.43Å; Y700-Y706 HydrophobicContact CG-CE2 4.44Å; Y700-Y706 WeakPolarHBondContact O-CB 3.39Å; Y700-Y706 WeakPolarHBondContact O-CD2 3.33Å; M703-Y706 HydrophobicContact CB-CD2 4.04Å; M703-Y706 PolarHBondContact O-N 2.77Å; M703-Y706 HydrophobicContact SD-CD2 4.47Å; M703-Y706 HydrophobicContact SD-CE2 4.2Å; P704-Y706 VanDerWaalsContact C-N 3.29Å; P704-Y706 PolarHBondContact O-N 3.28Å; Y706-H708 PolarHBondContact O-N 3.26Å; Y706-H708 VanDerWaalsContact O-N 3.16Å; Y706-I709 HydrophobicContact CD1-CD1 3.65Å; Y706-I709 HydrophobicContact CD1-CG1 4.48Å; Y706-I709 HydrophobicContact CG-CD1 4.34Å; Y706-I709 WeakPolarHBondContact O-CB 3.35Å; Y706-I709 PolarHBondContact O-N 3.35Å; Y706-K710 PolarHBondContact O-N 2.83Å; Y706-K710 VanDerWaalsContact O-N 3.1Å
707A85.3Confident89Confident46 Ų4671.1 Ų71.138%0.3836%0.362SS..Hα-helixtrans-56.5-33.2179.200000113.1P704 K710 Q711P704-A707 VanDerWaalsContact O-CB 3.29Å; P704-A707 WeakPolarHBondContact O-CB 3.35Å; P704-A707 PolarHBondContact O-N 3.18Å; A707-K710 PolarHBondContact O-N 2.87Å; A707-Q711 WeakPolarHBondContact O-CG 3.49Å; A707-Q711 PolarHBondContact O-N 2.96Å; A707-Q711 VanDerWaalsContact O-N 3.11Å
708H85.3Confident89.1Confident103 Ų10370.9 Ų70.948%0.47736%0.358SS..Hα-helixtrans-63.4-40.7174.570.9-82.1000112.1E705 Y706 Q711 I712E705-H708 PolarHBondContact O-ND1 3.06Å; Y706-H708 PolarHBondContact O-N 3.26Å; Y706-H708 VanDerWaalsContact O-N 3.16Å; H708-Q711 PolarHBondContact O-N 3.17Å; H708-I712 WeakPolarHBondContact O-CG1 3.34Å; H708-I712 PolarHBondContact O-N 3.03Å; H708-I712 VanDerWaalsContact O-N 3.16Å
709I84.6Confident89.2Confident12 Ų1270.6 Ų70.66%0.06235%0.348CS..Hα-helixtrans-65-43.4176.3-53.3-173.3000109.7L656 W695 L701 Y706 Q711 I712 L713L656-I709 HydrophobicContact CD2-CG2 3.8Å; W695-I709 HydrophobicContact CZ3-CD1 4.13Å; L701-I709 HydrophobicContact CD2-CB 4.17Å; L701-I709 HydrophobicContact CD2-CG2 3.61Å; Y706-I709 HydrophobicContact CD1-CD1 3.65Å; Y706-I709 HydrophobicContact CD1-CG1 4.48Å; Y706-I709 HydrophobicContact CG-CD1 4.34Å; Y706-I709 WeakPolarHBondContact O-CB 3.35Å; Y706-I709 PolarHBondContact O-N 3.35Å; I709-Q711 VanDerWaalsContact C-N 3.31Å; I709-Q711 PolarHBondContact O-N 3.44Å; I709-I712 WeakPolarHBondContact O-CB 3.38Å; I709-I712 PolarHBondContact O-N 3.48Å; I709-I712 VanDerWaalsContact O-N 3.14Å; I709-L713 HydrophobicContact CG2-CD1 3.89Å; I709-L713 HydrophobicContact CG2-CG 4.19Å; I709-L713 VanDerWaalsContact O-CG 3.28Å; I709-L713 WeakPolarHBondContact O-CG 3.22Å; I709-L713 PolarHBondContact O-N 2.9Å
710K86.9Confident89.4Confident87 Ų8769.4 Ų69.438%0.37834%0.335SS..Hα-helixtrans-56.9-44.4176.8-171.4172.8-170.3156.40112.1L701 D702 Y706 A707 I712 L713 D714L701-K710 WeakPolarHBondContact O-CD 3.42Å; D702-K710 IonicContact OD1-NZ 3.86Å; D702-K710 PolarHBondContact OD1-NZ 3.43Å; Y706-K710 PolarHBondContact O-N 2.83Å; Y706-K710 VanDerWaalsContact O-N 3.1Å; A707-K710 PolarHBondContact O-N 2.87Å; K710-I712 VanDerWaalsContact C-N 3.35Å; K710-I712 PolarHBondContact O-N 3.46Å; K710-L713 PolarHBondContact O-N 3.34Å; K710-D714 PolarHBondContact O-N 2.98Å
711Q86.5Confident89.7Confident145 Ų14569.8 Ų69.868%0.67834%0.34SS*.Hα-helixtrans-61.1-42176.3-71.1176.2-1.200112.5A707 H708 I709 L713 D714 K715A707-Q711 WeakPolarHBondContact O-CG 3.49Å; A707-Q711 PolarHBondContact O-N 2.96Å; A707-Q711 VanDerWaalsContact O-N 3.11Å; H708-Q711 PolarHBondContact O-N 3.17Å; I709-Q711 VanDerWaalsContact C-N 3.31Å; I709-Q711 PolarHBondContact O-N 3.44Å; Q711-L713 VanDerWaalsContact C-N 3.32Å; Q711-L713 PolarHBondContact O-N 2.88Å; Q711-D714 PolarHBondContact O-N 2.78Å; Q711-K715 PolarHBondContact O-N 2.82Å
712I85.2Confident90.2Very high31 Ų3172.2 Ų72.216%0.15935%0.352CS..Hα-helixtrans-61.9-42.1176.3-66.7165.9000110.6N655 L656 H708 I709 K710 D714 K715 P716N655-I712 WeakPolarHBondContact O-CG2 3.17Å; L656-I712 VanDerWaalsContact O-CD1 3.29Å; L656-I712 WeakPolarHBondContact O-CD1 3.25Å; H708-I712 WeakPolarHBondContact O-CG1 3.34Å; H708-I712 PolarHBondContact O-N 3.03Å; H708-I712 VanDerWaalsContact O-N 3.16Å; I709-I712 WeakPolarHBondContact O-CB 3.38Å; I709-I712 PolarHBondContact O-N 3.48Å; I709-I712 VanDerWaalsContact O-N 3.14Å; K710-I712 VanDerWaalsContact C-N 3.35Å; K710-I712 PolarHBondContact O-N 3.46Å; I712-D714 VanDerWaalsContact C-N 3.31Å; I712-D714 PolarHBondContact O-N 3.14Å; I712-K715 WeakPolarHBondContact O-CB 3.47Å; I712-K715 PolarHBondContact O-N 2.84Å; I712-P716 VanDerWaalsContact O-CD 3.31Å; I712-P716 WeakPolarHBondContact O-CD 3.45Å
713L86.2Confident90.5Very high10 Ų1068.8 Ų68.85%0.05233%0.333CS..Hα-helixtrans-72.7-18.9-179.5-63.5175.5000114V675 I692 L701 I709 K710 Q711 P716 R717V675-L713 HydrophobicContact CB-CD2 4.44Å; V675-L713 HydrophobicContact CG2-CD2 3.29Å; I692-L713 HydrophobicContact CD1-CD2 4.49Å; I692-L713 HydrophobicContact CG2-CD1 4.1Å; I692-L713 HydrophobicContact CG2-CD2 3.73Å; L701-L713 HydrophobicContact CD1-CD1 3.33Å; L701-L713 HydrophobicContact CD2-CD1 3.56Å; L701-L713 HydrophobicContact CG-CD1 4.08Å; I709-L713 HydrophobicContact CG2-CD1 3.89Å; I709-L713 HydrophobicContact CG2-CG 4.19Å; I709-L713 VanDerWaalsContact O-CG 3.28Å; I709-L713 WeakPolarHBondContact O-CG 3.22Å; I709-L713 PolarHBondContact O-N 2.9Å; K710-L713 PolarHBondContact O-N 3.34Å; Q711-L713 VanDerWaalsContact C-N 3.32Å; Q711-L713 PolarHBondContact O-N 2.88Å; L713-P716 WeakPolarHBondContact O-CD 3.31Å; L713-P716 WeakPolarHBondContact O-CG 3.32Å; L713-R717 PolarHBondContact O-NH1 2.85Å
714D91.2Very high90.7Very high71 Ų7166.6 Ų66.638%0.3832%0.322SS..Hα-helixtrans-85.9-20.4174.6-75.7-25.9000113.1K710 Q711 I712 R717 Y718K710-D714 PolarHBondContact O-N 2.98Å; Q711-D714 PolarHBondContact O-N 2.78Å; I712-D714 VanDerWaalsContact C-N 3.31Å; I712-D714 PolarHBondContact O-N 3.14Å; D714-R717 WeakPolarHBondContact O-CB 3.24Å; D714-R717 PolarHBondContact O-N 3.2Å; D714-R717 VanDerWaalsContact O-N 3.09Å; D714-R717 IonicContact OD1-CZ 3.49Å; D714-R717 IonicContact OD1-NH1 3.85Å; D714-R717 PolarHBondContact OD1-NH1 2.78Å; D714-Y718 PolarHBondContact O-N 3.33Å; D714-Y718 VanDerWaalsContact O-N 3.1Å
715K93.4Very high90.8Very high74 Ų7466.5 Ų66.532%0.32231%0.31SS..Hα-helixtrans-54.5-48.9176.3-164.8-179.9-178.1-167.30114.1F654 E660 Q711 I712 R717 Y718 E719F654-K715 HydrophobicContact CD1-CB 4.26Å; F654-K715 HydrophobicContact CD1-CD 4.11Å; F654-K715 HydrophobicContact CD1-CG 4.32Å; F654-K715 HydrophobicContact CE1-CB 4.21Å; F654-K715 HydrophobicContact CE1-CD 3.9Å; F654-K715 HydrophobicContact CE1-CG 3.9Å; E660-K715 IonicContact OE1-NZ 3.17Å; E660-K715 PolarHBondContact OE1-NZ 3.19Å; E660-K715 WeakPolarHBondContact OE2-CE 3.38Å; E660-K715 IonicContact OE2-NZ 3.32Å; E660-K715 PolarHBondContact OE2-NZ 2.93Å; Q711-K715 PolarHBondContact O-N 2.82Å; I712-K715 WeakPolarHBondContact O-CB 3.47Å; I712-K715 PolarHBondContact O-N 2.84Å; K715-R717 PolarHBondContact O-N 3.04Å; K715-Y718 WeakPolarHBondContact O-CB 3.2Å; K715-Y718 PolarHBondContact O-N 3Å; K715-Y718 VanDerWaalsContact O-N 3.09Å; K715-E719 PolarHBondContact O-N 2.96Å
716P95.2Very high90.7Very high0 Ų065.6 Ų65.60%031%0.313CS..Hα-helixtrans-61.3-29.3176.621.9-33.4000113.1F654 V675 L677 I686 I712 L713 A720F654-P716 HydrophobicContact CD1-CB 4.49Å; F654-P716 HydrophobicContact CD2-CB 3.87Å; F654-P716 HydrophobicContact CD2-CG 4.31Å; F654-P716 HydrophobicContact CE1-CB 4.34Å; F654-P716 HydrophobicContact CE2-CB 3.73Å; F654-P716 HydrophobicContact CG-CB 4.27Å; F654-P716 HydrophobicContact CG-CG 4.29Å; F654-P716 HydrophobicContact CZ-CB 3.97Å; V675-P716 HydrophobicContact CG1-CB 4.39Å; V675-P716 HydrophobicContact CG1-CG 3.87Å; L677-P716 HydrophobicContact CB-CB 4.46Å; I686-P716 HydrophobicContact CD1-CB 4.11Å; I686-P716 HydrophobicContact CG1-CB 4.4Å; I686-P716 HydrophobicContact CG2-CB 4.47Å; I712-P716 VanDerWaalsContact O-CD 3.31Å; I712-P716 WeakPolarHBondContact O-CD 3.45Å; L713-P716 WeakPolarHBondContact O-CD 3.31Å; L713-P716 WeakPolarHBondContact O-CG 3.32Å; P716-A720 WeakPolarHBondContact O-CB 3.49Å; P716-A720 PolarHBondContact O-N 3.35Å
717R95.7Very high91.1Very high49 Ų4962.6 Ų62.619%0.18530%0.301CS..Hα-helixtrans-68.6-41.9174.5-62.3-176.5174.989.519111.3I686 E688 L713 D714 K715 A720 Q721 E735I686-R717 HydrophobicContact CD1-CB 4.28Å; I686-R717 HydrophobicContact CD1-CG 3.71Å; E688-R717 IonicContact OE1-NH2 2.72Å; E688-R717 PolarHBondContact OE1-NH2 3.08Å; E688-R717 VanDerWaalsContact OE1-NH2 3.17Å; L713-R717 PolarHBondContact O-NH1 2.85Å; D714-R717 WeakPolarHBondContact O-CB 3.24Å; D714-R717 PolarHBondContact O-N 3.2Å; D714-R717 VanDerWaalsContact O-N 3.09Å; D714-R717 IonicContact OD1-CZ 3.49Å; D714-R717 IonicContact OD1-NH1 3.85Å; D714-R717 PolarHBondContact OD1-NH1 2.78Å; K715-R717 PolarHBondContact O-N 3.04Å; R717-A720 PolarHBondContact O-N 2.9Å; R717-Q721 VanDerWaalsContact O-CG 3.27Å; R717-Q721 WeakPolarHBondContact O-CG 3.31Å; R717-Q721 PolarHBondContact O-N 3.08Å; R717-E735 IonicContact CZ-OE2 2.76Å; R717-E735 IonicContact NE-OE1 2.67Å; R717-E735 PolarHBondContact NE-OE1 3.1Å; R717-E735 IonicContact NE-OE2 2.83Å; R717-E735 PolarHBondContact NE-OE2 2.63Å; R717-E735 IonicContact NH2-OE2 3.47Å; R717-E735 PolarHBondContact NH2-OE2 3.45Å
718Y94.8Very high91.5Very high139 Ų13962 Ų6255%0.54529%0.29SS..Hα-helixtrans-61.8-47.6175.3179.4-95.5000111.2D714 K715 A720 Q721 E722D714-Y718 PolarHBondContact O-N 3.33Å; D714-Y718 VanDerWaalsContact O-N 3.1Å; K715-Y718 WeakPolarHBondContact O-CB 3.2Å; K715-Y718 PolarHBondContact O-N 3Å; K715-Y718 VanDerWaalsContact O-N 3.09Å; Y718-A720 PolarHBondContact O-N 3.46Å; Y718-Q721 WeakPolarHBondContact O-CB 3.16Å; Y718-Q721 PolarHBondContact O-N 2.89Å; Y718-Q721 VanDerWaalsContact O-N 3.15Å; Y718-E722 HydrophobicContact CD1-CG 4.4Å; Y718-E722 HydrophobicContact CE1-CG 3.95Å; Y718-E722 PolarHBondContact O-N 3.16Å
719E95Very high91.9Very high49 Ų4957.7 Ų57.723%0.22927%0.271CS..Hα-helixtrans-63.1-42.7177-73.2-175.2-150.500112.6F654 L677 K715 Q721 E722 L723F654-E719 WeakPolarHBondContact CZ-OE2 3.36Å; L677-E719 HydrophobicContact CD2-CB 3.84Å; K715-E719 PolarHBondContact O-N 2.96Å; E719-Q721 VanDerWaalsContact C-N 3.27Å; E719-Q721 PolarHBondContact O-N 2.61Å; E719-E722 PolarHBondContact O-N 2.9Å; E719-E722 VanDerWaalsContact O-N 3.17Å; E719-L723 WeakPolarHBondContact O-CG 3.46Å; E719-L723 PolarHBondContact O-N 3.11Å
720A96.1Very high92.4Very high0 Ų057.6 Ų57.60%027%0.271CS..Hα-helixtrans-57.6-40.4173.300000112L677 I684 I686 P716 R717 Y718 L723 L724 Y733L677-A720 HydrophobicContact CD1-CB 4Å; I684-A720 HydrophobicContact CG2-CB 3.6Å; I686-A720 HydrophobicContact CD1-CB 4.26Å; P716-A720 WeakPolarHBondContact O-CB 3.49Å; P716-A720 PolarHBondContact O-N 3.35Å; R717-A720 PolarHBondContact O-N 2.9Å; Y718-A720 PolarHBondContact O-N 3.46Å; A720-L723 PolarHBondContact O-N 3.35Å; A720-L724 WeakPolarHBondContact O-CB 3.42Å; A720-L724 WeakPolarHBondContact O-CG 3.48Å; A720-L724 PolarHBondContact O-N 2.92Å; A720-Y733 HydrophobicContact CB-CD2 4.25Å; A720-Y733 HydrophobicContact CB-CE2 3.6Å
721Q95.3Very high92.8Very high107 Ų10753.6 Ų53.650%0.525%0.254SS..Hα-helixtrans-65.4-40.1176.1-73.5173.6800112.5R717 Y718 E719 L724 K725R717-Q721 VanDerWaalsContact O-CG 3.27Å; R717-Q721 WeakPolarHBondContact O-CG 3.31Å; R717-Q721 PolarHBondContact O-N 3.08Å; Y718-Q721 WeakPolarHBondContact O-CB 3.16Å; Y718-Q721 PolarHBondContact O-N 2.89Å; Y718-Q721 VanDerWaalsContact O-N 3.15Å; E719-Q721 VanDerWaalsContact C-N 3.27Å; E719-Q721 PolarHBondContact O-N 2.61Å; Q721-L724 PolarHBondContact O-N 2.68Å; Q721-K725 WeakPolarHBondContact O-CG 3.43Å; Q721-K725 PolarHBondContact O-N 3.32Å
722E95.1Very high93.3Very high70 Ų7052.4 Ų52.433%0.32724%0.243SC..Hα-helixtrans-63.6-43.2174.8-68-51.3129.400112Y718 E719 K725Y718-E722 HydrophobicContact CD1-CG 4.4Å; Y718-E722 HydrophobicContact CE1-CG 3.95Å; Y718-E722 PolarHBondContact O-N 3.16Å; E719-E722 PolarHBondContact O-N 2.9Å; E719-E722 VanDerWaalsContact O-N 3.17Å; E722-K725 PolarHBondContact O-N 3.23Å; E722-K725 IonicContact OE1-NZ 3.41Å; E722-K725 PolarHBondContact OE1-NZ 2.97Å; E722-K725 IonicContact OE2-NZ 2.85Å
723L93.9Very high93.8Very high48 Ų4854.9 Ų54.925%0.25125%0.251SS..Hα-helixtrans-59.7-49.2173.2-67.2173.2000110.4L677 D679 I684 E719 A720 K725 T726 R727L677-L723 HydrophobicContact CD2-CD1 4.35Å; D679-L723 HydrophobicContact CB-CD1 4.23Å; I684-L723 HydrophobicContact CD1-CB 4.24Å; I684-L723 HydrophobicContact CD1-CD1 4.03Å; E719-L723 WeakPolarHBondContact O-CG 3.46Å; E719-L723 PolarHBondContact O-N 3.11Å; A720-L723 PolarHBondContact O-N 3.35Å; L723-K725 PolarHBondContact O-N 2.87Å; L723-K725 VanDerWaalsContact O-N 3.16Å; L723-T726 PolarHBondContact O-N 2.82Å; L723-T726 VanDerWaalsContact O-N 3.15Å; L723-T726 PolarHBondContact O-OG1 3.3Å; L723-R727 WeakPolarHBondContact O-CG 3.4Å; L723-R727 PolarHBondContact O-N 2.64Å
724L93.8Very high94.2Very high26 Ų2655 Ų5514%0.13625%0.252CS..Hα-helixtrans-59.5-28.4179.9-74.5169.1000112.8R410 I684 A720 Q721 T726 V730 S731 Y733R410-L724 PolarHBondContact NH1-O 2.79Å; R410-L724 PolarHBondContact NH2-O 3.48Å; I684-L724 HydrophobicContact CG1-CD2 4.14Å; I684-L724 HydrophobicContact CG1-CG 4.39Å; A720-L724 WeakPolarHBondContact O-CB 3.42Å; A720-L724 WeakPolarHBondContact O-CG 3.48Å; A720-L724 PolarHBondContact O-N 2.92Å; Q721-L724 PolarHBondContact O-N 2.68Å; L724-T726 VanDerWaalsContact C-N 3.34Å; L724-T726 PolarHBondContact O-N 2.84Å; L724-V730 HydrophobicContact CD2-CG1 4.13Å; L724-S731 WeakPolarHBondContact CD2-O 3.44Å; L724-Y733 HydrophobicContact CD1-CD2 3.85Å; L724-Y733 HydrophobicContact CD1-CG 4.06Å
725K91.6Very high94.5Very high121 Ų12155.4 Ų55.453%0.52625%0.252SS..Hα-helixtrans-66.3-31178.2-75.4169.5-171.2174.70113.8R410 Q721 E722 L723R410-K725 PolarHBondContact NH1-O 3.43Å; Q721-K725 WeakPolarHBondContact O-CG 3.43Å; Q721-K725 PolarHBondContact O-N 3.32Å; E722-K725 PolarHBondContact O-N 3.23Å; E722-K725 IonicContact OE1-NZ 3.41Å; E722-K725 PolarHBondContact OE1-NZ 2.97Å; E722-K725 IonicContact OE2-NZ 2.85Å; L723-K725 PolarHBondContact O-N 2.87Å; L723-K725 VanDerWaalsContact O-N 3.16Å
726T88.2Confident94.6Very high110 Ų11052.6 Ų52.668%0.67524%0.241SC*.Hα-helixtrans-99.7-21.3-172.361.60000113.6L723 L724L723-T726 PolarHBondContact O-N 2.82Å; L723-T726 VanDerWaalsContact O-N 3.15Å; L723-T726 PolarHBondContact O-OG1 3.3Å; L724-T726 VanDerWaalsContact C-N 3.34Å; L724-T726 PolarHBondContact O-N 2.84Å
727R92.8Very high94.5Very high16 Ų1655 Ų556%0.0625%0.252CS..  trans-66137.3-175.8-67.8-84.4173.4-121.8-0.1113.4R410 N642 D679 L723 P729 S731R410-R727 PolarHBondContact NH1-O 2.93Å; N642-R727 PolarHBondContact OD1-NH1 2.93Å; D679-R727 IonicContact OD1-NE 3.3Å; D679-R727 IonicContact OD1-NH2 2.64Å; D679-R727 IonicContact OD2-CZ 3.57Å; D679-R727 IonicContact OD2-NE 3.6Å; D679-R727 IonicContact OD2-NH2 3.47Å; D679-R727 PolarHBondContact OD2-NH2 3.46Å; L723-R727 WeakPolarHBondContact O-CG 3.4Å; L723-R727 PolarHBondContact O-N 2.64Å; R727-P729 CarbonylContact C-O 3.59Å; R727-S731 WeakPolarHBondContact CG-OG 3.37Å
728F93.8Very high94.4Very high35 Ų3554.9 Ų54.915%0.15425%0.254CS..SBendtrans-140.4121.3169-178.8-82.5000109.6H392 I394 T407 R410 V411 F681H392-F728 HydrophobicContact CB-CZ 4.44Å; H392-F728 AromaticContact CE1-CE1 3.57Å; H392-F728 AromaticContact CE1-CZ 3.55Å; H392-F728 AromaticContact CG-CZ 3.81Å; H392-F728 AromaticContact ND1-CE1 3.17Å; H392-F728 WeakPolarHBondContact ND1-CE1 3.45Å; H392-F728 AromaticContact ND1-CZ 3.3Å; H392-F728 VanDerWaalsContact ND1-CZ 3.3Å; H392-F728 WeakPolarHBondContact ND1-CZ 3.43Å; I394-F728 HydrophobicContact CD1-CE1 4.28Å; I394-F728 HydrophobicContact CD1-CZ 4Å; T407-F728 HydrophobicContact CG2-CE2 4.23Å; R410-F728 HydrophobicContact CB-CD2 3.83Å; R410-F728 HydrophobicContact CB-CE2 4.21Å; V411-F728 HydrophobicContact CG2-CE2 3.93Å; V411-F728 HydrophobicContact CG2-CZ 4.04Å; F681-F728 WeakPolarHBondContact CZ-O 3.45Å
729P94.9Very high94.1Very high11 Ų1155.1 Ų55.17%0.07126%0.264CS..SBendcis-57163.1-7.5-26.239.1000113I394 T407 Y630 R727 S731I394-P729 HydrophobicContact CD1-CB 4.18Å; I394-P729 HydrophobicContact CD1-CG 3.63Å; T407-P729 HydrophobicContact CG2-CB 3.83Å; Y630-P729 HydrophobicContact CE2-CG 4.3Å; Y630-P729 WeakPolarHBondContact OH-CG 3.38Å; R727-P729 CarbonylContact C-O 3.59Å; P729-S731 PolarHBondContact O-N 2.89Å
730V95.4Very high93.9Very high11 Ų1153.6 Ų53.67%0.06726%0.262CS..PPolyproline II helixtrans-62.9131.3175-178.50000108L403 Q406 T407 L724L403-V730 HydrophobicContact CD1-CB 3.9Å; L403-V730 HydrophobicContact CD1-CG1 3.8Å; L403-V730 VanDerWaalsContact CD1-O 3.25Å; L403-V730 WeakPolarHBondContact CD1-O 3.04Å; Q406-V730 HydrophobicContact CB-CG2 3.87Å; T407-V730 VanDerWaalsContact OG1-CB 3.32Å; T407-V730 WeakPolarHBondContact OG1-CB 3.5Å; T407-V730 WeakPolarHBondContact OG1-CG2 3.3Å; T407-V730 PolarHBondContact OG1-N 2.94Å; L724-V730 HydrophobicContact CD2-CG1 4.13Å
731S95.6Very high93.7Very high3 Ų358.1 Ų58.12%0.02129%0.294CS..PPolyproline II helixtrans-68.8147.1178.4-460000110.5L403 F681 L724 R727 P729 Y733L403-S731 WeakPolarHBondContact CD1-O 3.32Å; F681-S731 VanDerWaalsContact O-CB 3.29Å; F681-S731 WeakPolarHBondContact O-CB 3.28Å; F681-S731 PolarHBondContact O-OG 2.62Å; L724-S731 WeakPolarHBondContact CD2-O 3.44Å; R727-S731 WeakPolarHBondContact CG-OG 3.37Å; P729-S731 PolarHBondContact O-N 2.89Å; S731-Y733 PolarHBondContact O-N 3.26Å
732R95.3Very high93.5Very high119 Ų11955.8 Ų55.845%0.44928%0.283SS..EExtended strand (participates in β ladder)trans-62136.1166.2-173.2177.6-179.6159.24.4108.4F682 L683 I684 V734F682-R732 PolarHBondContact O-N 3Å; L683-R732 CarbonylContact C-O 3.53Å; L683-R732 WeakPolarHBondContact CA-O 3.44Å; L683-R732 HydrophobicContact CD1-CB 4.05Å; L683-R732 HydrophobicContact CD1-CG 4.11Å; L683-R732 WeakPolarHBondContact CD1-O 3.43Å; I684-R732 PolarHBondContact N-O 3.32Å; R732-V734 HydrophobicContact CG-CG2 4.15Å
733Y95.6Very high93.4Very high83 Ų8352.7 Ų52.733%0.32527%0.269SS..EExtended strand (participates in β ladder)trans-108.9128.6175.3-179.9-108.8000109.8I684 I686 A720 L724 S731 E735I684-Y733 HydrophobicContact CB-CD2 4.33Å; I684-Y733 HydrophobicContact CG2-CD2 4.17Å; I684-Y733 HydrophobicContact CG2-CE2 4.49Å; I684-Y733 WeakPolarHBondContact O-CA 3.41Å; I686-Y733 HydrophobicContact CD1-CE2 4.09Å; I686-Y733 WeakPolarHBondContact CD1-OH 3.33Å; I686-Y733 HydrophobicContact CG1-CE2 4.42Å; A720-Y733 HydrophobicContact CB-CD2 4.25Å; A720-Y733 HydrophobicContact CB-CE2 3.6Å; L724-Y733 HydrophobicContact CD1-CD2 3.85Å; L724-Y733 HydrophobicContact CD1-CG 4.06Å; S731-Y733 PolarHBondContact O-N 3.26Å; Y733-E735 HydrophobicContact CE1-CG 3.71Å; Y733-E735 WeakPolarHBondContact CE1-OE1 3.34Å; Y733-E735 VanDerWaalsContact OH-CD 3.25Å; Y733-E735 WeakPolarHBondContact OH-CG 3.27Å; Y733-E735 PolarHBondContact OH-OE1 2.79Å
734V96.2Very high93.3Very high12 Ų1258 Ų587%0.07329%0.286CS..EExtended strand (participates in β ladder)trans-136.4127.5179.5175.10000109.4L683 I684 L685 I686 R732 Q742 F745L683-V734 HydrophobicContact CD1-CB 3.96Å; L683-V734 HydrophobicContact CD1-CG2 3.56Å; I684-V734 PolarHBondContact O-N 3.3Å; L685-V734 CarbonylContact C-O 3.56Å; L685-V734 VanDerWaalsContact CA-O 3.25Å; L685-V734 WeakPolarHBondContact CA-O 3.42Å; L685-V734 HydrophobicContact CD1-CB 4.45Å; L685-V734 HydrophobicContact CD1-CG1 4.25Å; L685-V734 HydrophobicContact CG-CB 4.47Å; L685-V734 HydrophobicContact CG-CG1 4.47Å; I686-V734 PolarHBondContact N-O 2.99Å; R732-V734 HydrophobicContact CG-CG2 4.15Å; V734-Q742 HydrophobicContact CG1-CB 3.73Å; V734-Q742 HydrophobicContact CG1-CG 4.25Å; V734-F745 HydrophobicContact CG1-CD2 4.48Å; V734-F745 HydrophobicContact CG2-CD2 4.44Å; V734-F745 HydrophobicContact CG2-CE2 4.3Å
735E96.1Very high93.2Very high81 Ų8158.8 Ų58.838%0.37929%0.288SS..EExtended strand (participates in β ladder)trans-103.7132.3162.4-60.8-171.6-152.300108.1I686 R717 Y733I686-E735 HydrophobicContact CB-CG 4.25Å; I686-E735 HydrophobicContact CD1-CG 4.39Å; I686-E735 WeakPolarHBondContact O-CA 3.34Å; R717-E735 IonicContact CZ-OE2 2.76Å; R717-E735 IonicContact NE-OE1 2.67Å; R717-E735 PolarHBondContact NE-OE1 3.1Å; R717-E735 IonicContact NE-OE2 2.83Å; R717-E735 PolarHBondContact NE-OE2 2.63Å; R717-E735 IonicContact NH2-OE2 3.47Å; R717-E735 PolarHBondContact NH2-OE2 3.45Å; Y733-E735 HydrophobicContact CE1-CG 3.71Å; Y733-E735 WeakPolarHBondContact CE1-OE1 3.34Å; Y733-E735 VanDerWaalsContact OH-CD 3.25Å; Y733-E735 WeakPolarHBondContact OH-CG 3.27Å; Y733-E735 PolarHBondContact OH-OE1 2.79Å
736T96.2Very high93.3Very high14 Ų1453 Ų539%0.08626%0.263CS..EExtended strand (participates in β ladder)trans-145.4164.6178.4-170.30000109.7L685 I686 Y687 E688 A743L685-T736 HydrophobicContact CD1-CG2 4.17Å; L685-T736 HydrophobicContact CD2-CG2 4.05Å; L685-T736 HydrophobicContact CG-CG2 4.18Å; I686-T736 PolarHBondContact O-N 2.99Å; Y687-T736 CarbonylContact C-O 3.59Å; Y687-T736 VanDerWaalsContact CA-O 3.31Å; Y687-T736 WeakPolarHBondContact CA-O 3.44Å; Y687-T736 HydrophobicContact CD2-CG2 4.02Å; E688-T736 PolarHBondContact N-O 2.62Å; T736-A743 HydrophobicContact CG2-CB 4.42Å; T736-A743 PolarHBondContact OG1-N 2.61Å
737E94Very high93.4Very high50 Ų5050.3 Ų50.323%0.23424%0.244CC..EExtended strand (participates in β ladder)trans-121170.4176.852.5178.8-159.200110.2E688 A693 K697 D739 G740E688-E737 HydrophobicContact CB-CB 4.23Å; E688-E737 CarbonylContact O-C 3.55Å; E688-E737 WeakPolarHBondContact O-CA 3.44Å; A693-E737 HydrophobicContact CB-CB 3.8Å; K697-E737 WeakPolarHBondContact CE-OE1 3.37Å; K697-E737 VanDerWaalsContact CE-OE2 3.25Å; K697-E737 WeakPolarHBondContact CE-OE2 3.32Å; K697-E737 IonicContact NZ-OE1 2.67Å; K697-E737 PolarHBondContact NZ-OE1 2.97Å; K697-E737 IonicContact NZ-OE2 3.1Å; K697-E737 PolarHBondContact NZ-OE2 3.01Å; E737-D739 PolarHBondContact O-N 3.15Å; E737-G740 WeakPolarHBondContact O-CA 3.42Å; E737-G740 PolarHBondContact O-N 3.1Å
738H92.1Very high93.2Very high47 Ų4753.1 Ų53.122%0.21827%0.266CS..THydrogen-bonded Turntrans-49.6137.1166.4-172.367.8000110.9Y687 E688 D690 G740Y687-H738 WeakPolarHBondContact OH-CA 3.47Å; Y687-H738 WeakPolarHBondContact OH-CB 3.43Å; Y687-H738 PolarHBondContact OH-ND1 3.14Å; E688-H738 PolarHBondContact O-N 2.54Å; D690-H738 HydrophobicContact CB-CB 3.99Å; D690-H738 IonicContact OD1-CD2 3.68Å; H738-G740 PolarHBondContact O-N 3.09Å
739D89.8Confident93Very high144 Ų14454.5 Ų54.577%0.7727%0.272SS*.THydrogen-bonded Turntrans57.44.7-171.4-65.1-22.9000116.3E737E737-D739 PolarHBondContact O-N 3.15Å
740G91.2Very high92.8Very high18 Ų1854 Ų5419%0.18627%0.269CS..  trans-65.5142.8171.600000111.6E737 H738 Q742 A743E737-G740 WeakPolarHBondContact O-CA 3.42Å; E737-G740 PolarHBondContact O-N 3.1Å; H738-G740 PolarHBondContact O-N 3.09Å; G740-Q742 PolarHBondContact O-N 3.09Å; G740-A743 WeakPolarHBondContact O-CB 3.36Å; G740-A743 PolarHBondContact O-N 2.85Å
741S90.1Very high92.5Very high94 Ų9453.9 Ų53.966%0.65727%0.268SS*.THydrogen-bonded Turntrans-57.7-25.9-17861.50000114.3R744S741-R744 WeakPolarHBondContact O-CD 3.49Å; S741-R744 WeakPolarHBondContact O-CG 3Å
742Q92.8Very high92Very high59 Ų5953.8 Ų53.828%0.27627%0.268SS..THydrogen-bonded Turntrans-91.8-6.3178.8-52.5-61.2-12.800113.4V734 G740 R744 F745V734-Q742 HydrophobicContact CG1-CB 3.73Å; V734-Q742 HydrophobicContact CG1-CG 4.25Å; G740-Q742 PolarHBondContact O-N 3.09Å; Q742-R744 PolarHBondContact O-N 3.23Å; Q742-R744 VanDerWaalsContact O-N 3.14Å; Q742-F745 HydrophobicContact CB-CD2 4.05Å; Q742-F745 HydrophobicContact CB-CE2 4.19Å; Q742-F745 HydrophobicContact CG-CE2 4.46Å; Q742-F745 WeakPolarHBondContact O-CB 3.47Å; Q742-F745 WeakPolarHBondContact O-CD2 3.31Å; Q742-F745 PolarHBondContact O-N 2.83Å
743A92.3Very high91.4Very high5 Ų550.1 Ų50.14%0.04126%0.26CS..THydrogen-bonded Turntrans-58.5-26.4173.700000112.1Y687 T736 G740 F745 L746 L747Y687-A743 HydrophobicContact CD2-CB 4.19Å; Y687-A743 HydrophobicContact CE2-CB 3.88Å; T736-A743 HydrophobicContact CG2-CB 4.42Å; T736-A743 PolarHBondContact OG1-N 2.61Å; G740-A743 WeakPolarHBondContact O-CB 3.36Å; G740-A743 PolarHBondContact O-N 2.85Å; A743-F745 PolarHBondContact O-N 3.5Å; A743-F745 VanDerWaalsContact O-N 3.09Å; A743-L746 PolarHBondContact O-N 2.94Å; A743-L747 WeakPolarHBondContact O-CG 3.36Å; A743-L747 PolarHBondContact O-N 3.05Å
744R91.2Very high90.4Very high159 Ų15947.3 Ų47.360%0.625%0.25SS*.Hα-helixtrans-52.4-29.6173.171.3-175.1-179.4136.61.7113.6S741 Q742 L747 S748S741-R744 WeakPolarHBondContact O-CD 3.49Å; S741-R744 WeakPolarHBondContact O-CG 3Å; Q742-R744 PolarHBondContact O-N 3.23Å; Q742-R744 VanDerWaalsContact O-N 3.14Å; R744-L747 PolarHBondContact O-N 2.99Å; R744-S748 VanDerWaalsContact O-CB 3.26Å; R744-S748 WeakPolarHBondContact O-CB 3.43Å; R744-S748 PolarHBondContact O-N 2.93Å; R744-S748 PolarHBondContact O-OG 2.96Å
745F92Very high89.3Confident43 Ų4347.5 Ų47.519%0.18925%0.252CS..Hα-helixtrans-65.1-40.9177.5-68.3-46000112L683 L685 V734 Q742 A743 S748 K749L683-F745 HydrophobicContact CD2-CB 3.61Å; L683-F745 HydrophobicContact CD2-CD2 4.21Å; L683-F745 HydrophobicContact CD2-CG 3.93Å; L685-F745 HydrophobicContact CD1-CB 3.63Å; L685-F745 HydrophobicContact CD1-CD2 4.34Å; V734-F745 HydrophobicContact CG1-CD2 4.48Å; V734-F745 HydrophobicContact CG2-CD2 4.44Å; V734-F745 HydrophobicContact CG2-CE2 4.3Å; Q742-F745 HydrophobicContact CB-CD2 4.05Å; Q742-F745 HydrophobicContact CB-CE2 4.19Å; Q742-F745 HydrophobicContact CG-CE2 4.46Å; Q742-F745 WeakPolarHBondContact O-CB 3.47Å; Q742-F745 WeakPolarHBondContact O-CD2 3.31Å; Q742-F745 PolarHBondContact O-N 2.83Å; A743-F745 PolarHBondContact O-N 3.5Å; A743-F745 VanDerWaalsContact O-N 3.09Å; F745-S748 PolarHBondContact O-OG 2.87Å; F745-K749 WeakPolarHBondContact O-CG 3.31Å
746L94Very high87.8Confident0 Ų047 Ų470%025%0.249CC..Hα-helixtrans-69.1-50172.6176.660.5000110.7L651 I670 L676 M678 L685 Y687 A743 S748 K749 V750L651-L746 HydrophobicContact CD1-CD1 3.89Å; I670-L746 HydrophobicContact CD1-CD2 4.07Å; I670-L746 HydrophobicContact CD1-CG 4.24Å; I670-L746 HydrophobicContact CG1-CD2 4.3Å; L676-L746 HydrophobicContact CD1-CD2 4.04Å; M678-L746 HydrophobicContact CB-CD1 4.25Å; M678-L746 HydrophobicContact CG-CD1 4.33Å; M678-L746 HydrophobicContact SD-CD1 3.6Å; M678-L746 VanDerWaalsContact SD-CD1 3.6Å; L685-L746 HydrophobicContact CD2-CB 4.08Å; Y687-L746 HydrophobicContact CD1-CD2 4.15Å; Y687-L746 HydrophobicContact CD2-CD2 3.92Å; Y687-L746 HydrophobicContact CG-CD2 3.68Å; A743-L746 PolarHBondContact O-N 2.94Å; L746-S748 PolarHBondContact O-N 3.15Å; L746-K749 PolarHBondContact O-N 2.95Å; L746-V750 HydrophobicContact CD1-CG1 3.92Å; L746-V750 HydrophobicContact CG-CG1 4.25Å; L746-V750 PolarHBondContact O-N 3.5Å; L746-V750 VanDerWaalsContact O-N 3.17Å
747L90.9Very high86.2Confident53 Ų5352.5 Ų52.528%0.27727%0.273SS..Hα-helixtrans-60-31.5-176.3-63.1174.3000113I670 A743 R744 K749 V750 V770I670-L747 HydrophobicContact CD1-CD2 3.55Å; A743-L747 WeakPolarHBondContact O-CG 3.36Å; A743-L747 PolarHBondContact O-N 3.05Å; R744-L747 PolarHBondContact O-N 2.99Å; L747-K749 VanDerWaalsContact C-N 3.27Å; L747-K749 PolarHBondContact O-N 2.91Å; L747-V750 WeakPolarHBondContact O-CG2 3.39Å; L747-V770 HydrophobicContact CD2-CG2 4.36Å
748S87.8Confident84.9Confident75 Ų7552.9 Ų52.952%0.52428%0.279SS..THydrogen-bonded Turntrans-71.9-16.9176.271.80000114.4R744 F745 L746R744-S748 VanDerWaalsContact O-CB 3.26Å; R744-S748 WeakPolarHBondContact O-CB 3.43Å; R744-S748 PolarHBondContact O-N 2.93Å; R744-S748 PolarHBondContact O-OG 2.96Å; F745-S748 PolarHBondContact O-OG 2.87Å; L746-S748 PolarHBondContact O-N 3.15Å
749K89.8Confident83.1Confident63 Ų6356 Ų5627%0.27430%0.295SS..THydrogen-bonded Turntrans-103.5-28.1-176.7-62.6-60.9-178.5-176.90113.2P649 L665 M678 F745 L746 L747P649-K749 HydrophobicContact CG-CB 4.46Å; L665-K749 WeakPolarHBondContact CD2-O 3.33Å; M678-K749 HydrophobicContact SD-CB 4.13Å; M678-K749 HydrophobicContact SD-CG 4.3Å; F745-K749 WeakPolarHBondContact O-CG 3.31Å; L746-K749 PolarHBondContact O-N 2.95Å; L747-K749 VanDerWaalsContact C-N 3.27Å; L747-K749 PolarHBondContact O-N 2.91Å
750V91.1Very high81.5Confident0 Ų059 Ų590%030%0.297CS..SBendtrans-64.9151.3179.6-63.70000112.6R614 L665 I670 L746 L747 P752 V770R614-V750 PolarHBondContact NH1-O 3.12Å; R614-V750 VanDerWaalsContact NH1-O 3.08Å; R614-V750 PolarHBondContact NH2-O 2.84Å; L665-V750 HydrophobicContact CD1-CG1 4.26Å; I670-V750 HydrophobicContact CD1-CG1 4.19Å; I670-V750 HydrophobicContact CD1-CG2 4.36Å; L746-V750 HydrophobicContact CD1-CG1 3.92Å; L746-V750 HydrophobicContact CG-CG1 4.25Å; L746-V750 PolarHBondContact O-N 3.5Å; L746-V750 VanDerWaalsContact O-N 3.17Å; L747-V750 WeakPolarHBondContact O-CG2 3.39Å; V750-P752 WeakPolarHBondContact O-CD 3.34Å; V750-V770 HydrophobicContact CG2-CG2 3.89Å
751N89.5Confident79.7Confident9 Ų962.1 Ų62.15%0.04832%0.316CS..BIsolated β-bridgetrans-65.8124.1163.9175.342.9000109.5L665 D666 S667 S753 S776 L777L665-N751 WeakPolarHBondContact O-CB 3.44Å; L665-N751 PolarHBondContact O-N 3.5Å; D666-N751 HydrophobicContact CB-CB 4.37Å; D666-N751 WeakPolarHBondContact OD1-CB 3.48Å; D666-N751 PolarHBondContact OD1-ND2 3.1Å; S667-N751 PolarHBondContact N-O 3.21Å; S667-N751 PolarHBondContact OG-O 2.86Å; N751-S753 PolarHBondContact O-N 3.31Å; N751-S776 WeakPolarHBondContact OD1-CA 3.24Å; N751-L777 PolarHBondContact OD1-N 3.45Å
752P85.2Confident77.1Confident2 Ų268.4 Ų68.41%0.01333%0.332CS..  trans-81.168.4178.535.1-37.2000110.8V750 L754 T755 V770 T772 D774V750-P752 WeakPolarHBondContact O-CD 3.34Å; P752-L754 VanDerWaalsContact C-N 3.32Å; P752-T755 HydrophobicContact CB-CG2 3.97Å; P752-T755 WeakPolarHBondContact O-CG2 3.26Å; P752-V770 HydrophobicContact CB-CB 4.01Å; P752-V770 HydrophobicContact CB-CG1 4.2Å; P752-T772 HydrophobicContact CB-CG2 3.32Å; P752-T772 HydrophobicContact CG-CG2 3.6Å; P752-D774 HydrophobicContact CG-CB 4.09Å
753S82.7Confident75.1Confident41 Ų4168.7 Ų68.729%0.28735%0.351SS..SBendtrans-68.4-35.6172.658.20000111.6D666 S667 N751 T758D666-S753 VanDerWaalsContact OD1-CB 3.28Å; D666-S753 WeakPolarHBondContact OD1-CB 3.35Å; D666-S753 PolarHBondContact OD1-OG 2.95Å; D666-S753 VanDerWaalsContact OD1-OG 3.13Å; D666-S753 PolarHBondContact OD2-OG 2.84Å; S667-S753 PolarHBondContact OG-N 3.42Å; S667-S753 VanDerWaalsContact OG-N 3.13Å; S667-S753 PolarHBondContact OG-OG 2.84Å; N751-S753 PolarHBondContact O-N 3.31Å; S753-T758 PolarHBondContact O-OG1 3.44Å
754L74.5Confident72.8Confident24 Ų2477.9 Ų77.913%0.12639%0.393CS..SBendtrans-106.9110175.2-60.9171.7000108.4S667 P752 D765 A769 V770S667-L754 PolarHBondContact OG-N 2.97Å; P752-L754 VanDerWaalsContact C-N 3.32Å; L754-D765 HydrophobicContact CD1-CB 4.06Å; L754-D765 HydrophobicContact CD2-CB 4.14Å; L754-A769 WeakPolarHBondContact O-CA 3.43Å; L754-V770 PolarHBondContact O-N 2.8Å
755T72.4Confident70.8Confident16 Ų1675.8 Ų75.810%0.09839%0.394CS..BIsolated β-bridgetrans-117.7167.8177.562.20000109.7P752 H757 T758 M759 V770P752-T755 HydrophobicContact CB-CG2 3.97Å; P752-T755 WeakPolarHBondContact O-CG2 3.26Å; T755-H757 PolarHBondContact O-N 2.85Å; T755-H757 VanDerWaalsContact O-N 3.12Å; T755-H757 PolarHBondContact OG1-N 3.3Å; T755-T758 PolarHBondContact N-OG1 3.24Å; T755-T758 PolarHBondContact O-N 3.34Å; T755-T758 PolarHBondContact O-OG1 2.76Å; T755-T758 PolarHBondContact OG1-N 3.35Å; T755-T758 PolarHBondContact OG1-OG1 2.83Å; T755-T758 VanDerWaalsContact OG1-OG1 3.12Å; T755-M759 WeakPolarHBondContact O-CB 3.38Å; T755-M759 PolarHBondContact O-N 3.06Å; T755-V770 WeakPolarHBondContact CA-O 3.28Å
756H64.8Low69.1Low71 Ų7177.8 Ų77.833%0.32941%0.413SS..THydrogen-bonded Turntrans-56.5-24.2170.468.4-72.7000113.9L771H756-L771 HydrophobicContact CB-CD2 3.82Å
757H63.1Low67.5Low129 Ų12978.5 Ų78.560%0.59742%0.421SS*.THydrogen-bonded Turntrans-77.7-35.9173.3-70.4-50.3000113.1T755T755-H757 PolarHBondContact O-N 2.85Å; T755-H757 VanDerWaalsContact O-N 3.12Å; T755-H757 PolarHBondContact OG1-N 3.3Å
758T66.5Low66.3Low58 Ų5877.1 Ų77.136%0.35642%0.416SS..THydrogen-bonded Turntrans-93-16.3-177.650.90000113.8S753 T755 Y760 S761S753-T758 PolarHBondContact O-OG1 3.44Å; T755-T758 PolarHBondContact N-OG1 3.24Å; T755-T758 PolarHBondContact O-N 3.34Å; T755-T758 PolarHBondContact O-OG1 2.76Å; T755-T758 PolarHBondContact OG1-N 3.35Å; T755-T758 PolarHBondContact OG1-OG1 2.83Å; T755-T758 VanDerWaalsContact OG1-OG1 3.12Å; T758-Y760 PolarHBondContact O-N 3.17Å; T758-Y760 VanDerWaalsContact O-N 3.09Å; T758-S761 WeakPolarHBondContact O-CB 3.25Å; T758-S761 PolarHBondContact O-N 3.41Å
759M54.2Low65.5Low113 Ų11375.1 Ų75.156%0.55740%0.404SS*.THydrogen-bonded Turntrans-57.5-27.8-177.1-161.2179.3-164.400113.8T755 A769T755-M759 WeakPolarHBondContact O-CB 3.38Å; T755-M759 PolarHBondContact O-N 3.06Å; M759-A769 HydrophobicContact CE-CB 4.14Å; M759-A769 HydrophobicContact CG-CB 4.35Å; M759-A769 HydrophobicContact SD-CB 3.7Å
760Y55Low64.7Low207 Ų20772.7 Ų72.781%0.81239%0.394SS*.THydrogen-bonded Turntrans-97.63.9179.1-60.7-73.6000114.1T758T758-Y760 PolarHBondContact O-N 3.17Å; T758-Y760 VanDerWaalsContact O-N 3.09Å
761S53.2Low63.8Low83 Ų8379.9 Ų79.958%0.5843%0.432SS*.SBendtrans-75.7136.8173.1-69.10000110.3T758 G763T758-S761 WeakPolarHBondContact O-CB 3.25Å; T758-S761 PolarHBondContact O-N 3.41Å; S761-G763 PolarHBondContact O-N 3.32Å
762F36.7Very low63Low226 Ų22681 Ų8199%0.99144%0.439SS*.SBendtrans-63.4109.8-169.1-140-94.5000112
763G49.9Very low62.2Low66 Ų6687.8 Ų87.868%0.6848%0.475SS*.SBendtrans136.2107.8175.600000112.3S761 D765S761-G763 PolarHBondContact O-N 3.32Å; G763-D765 PolarHBondContact O-N 3.48Å
764Q44.9Very low61.9Low197 Ų19789.5 Ų89.592%0.92148%0.481SS*.  trans-64.2112.1-171.6-72.1171.4-35.400113.5
765D48.7Very low62.4Low116 Ų11692.7 Ų92.762%0.6250%0.501SS*.  trans-109.9120.3146.6-82.5-28.9000107.5L754 G763 G767L754-D765 HydrophobicContact CD1-CB 4.06Å; L754-D765 HydrophobicContact CD2-CB 4.14Å; G763-D765 PolarHBondContact O-N 3.48Å; D765-G767 PolarHBondContact O-N 3.14Å
766S57.3Low63.2Low84 Ų8493.4 Ų93.459%0.58751%0.507SS*.  trans-7732.7-174.448.60000114.3Q671Q671-S766 PolarHBondContact OE1-O 2.96Å; Q671-S766 PolarHBondContact OE1-OG 3.22Å
767G58.8Low64.4Low15 Ų1591.4 Ų91.416%0.15550%0.498CS..PPolyproline II helixtrans-87.1166179.600000114D765D765-G767 PolarHBondContact O-N 3.14Å
768S66.5Low65.7Low25 Ų2591.7 Ų91.718%0.17550%0.5CS..PPolyproline II helixtrans-77.3126.8175-640000111.1S667 I670 V770S667-S768 WeakPolarHBondContact CB-O 3.49Å; I670-S768 WeakPolarHBondContact CG2-OG 3.47Å; I670-S768 PolarHBondContact O-N 2.92Å; S768-V770 PolarHBondContact O-N 3.46Å
769A71.8Confident66.8Low33 Ų3390 Ų9027%0.27350%0.495SS..PPolyproline II helixtrans-70.2128.8177.500000111.4L754 M759L754-A769 WeakPolarHBondContact O-CA 3.43Å; M759-A769 HydrophobicContact CE-CB 4.14Å; M759-A769 HydrophobicContact CG-CB 4.35Å; M759-A769 HydrophobicContact SD-CB 3.7Å
770V72Confident68.7Low12 Ų1285.6 Ų85.67%0.07347%0.473CS..BIsolated β-bridgetrans-93.4125.6175.9-174.80000109.4L747 V750 P752 L754 T755 S768 T772L747-V770 HydrophobicContact CD2-CG2 4.36Å; V750-V770 HydrophobicContact CG2-CG2 3.89Å; P752-V770 HydrophobicContact CB-CB 4.01Å; P752-V770 HydrophobicContact CB-CG1 4.2Å; L754-V770 PolarHBondContact O-N 2.8Å; T755-V770 WeakPolarHBondContact CA-O 3.28Å; S768-V770 PolarHBondContact O-N 3.46Å; V770-T772 HydrophobicContact CB-CG2 4.4Å; V770-T772 HydrophobicContact CG1-CG2 3.78Å; V770-T772 PolarHBondContact O-N 3.16Å; V770-T772 VanDerWaalsContact O-N 3.16Å
771L72.4Confident70.5Confident151 Ų15177.7 Ų77.779%0.79144%0.443SS*.  trans-81.789175.3-66170.7000109.8H756H756-L771 HydrophobicContact CB-CD2 3.82Å
772T72.4Confident72.4Confident33 Ų3378.1 Ų78.120%0.20244%0.436CS..  trans-153.7153.1177.6-174.20000111.6P752 V770 D774P752-T772 HydrophobicContact CB-CG2 3.32Å; P752-T772 HydrophobicContact CG-CG2 3.6Å; V770-T772 HydrophobicContact CB-CG2 4.4Å; V770-T772 HydrophobicContact CG1-CG2 3.78Å; V770-T772 PolarHBondContact O-N 3.16Å; V770-T772 VanDerWaalsContact O-N 3.16Å; T772-D774 HydrophobicContact CG2-CB 4.01Å; T772-D774 WeakPolarHBondContact OG1-CB 3.34Å; T772-D774 PolarHBondContact OG1-N 3.36Å
773D68.7Low75.2Confident143 Ų14373 Ų7377%0.76542%0.415SS*.  trans-93.72.7169.8-63-29.2000112
774D76.8Confident77.3Confident77 Ų7770.1 Ų70.141%0.41238%0.384SS..PPolyproline II helixtrans-59.6137.5177.8-82.4-11.9000111.5R614 P752 T772 S776R614-D774 IonicContact CZ-OD2 3.83Å; R614-D774 IonicContact NE-OD2 3.39Å; R614-D774 PolarHBondContact NE-OD2 3.36Å; R614-D774 IonicContact NH2-OD2 3.29Å; R614-D774 PolarHBondContact NH2-OD2 3.12Å; P752-D774 HydrophobicContact CG-CB 4.09Å; T772-D774 HydrophobicContact CG2-CB 4.01Å; T772-D774 WeakPolarHBondContact OG1-CB 3.34Å; T772-D774 PolarHBondContact OG1-N 3.36Å; D774-S776 PolarHBondContact O-N 3.47Å
775V83.9Confident79.7Confident91 Ų9163.8 Ų63.855%0.55235%0.354SS*.PPolyproline II helixtrans-64128.4172.5-1800000109.5F610 F780F610-V775 VanDerWaalsContact CE2-O 3.28Å; F610-V775 WeakPolarHBondContact CE2-O 3.48Å; F610-V775 WeakPolarHBondContact CZ-O 3.35Å; V775-F780 HydrophobicContact CG1-CB 4.32Å
776S89.5Confident81.8Confident31 Ų3164.1 Ų64.122%0.21735%0.349CS..PPolyproline II helixtrans-67.2156.8174.271.70000111.6N751 D774 Q778 G779 F780N751-S776 WeakPolarHBondContact OD1-CA 3.24Å; D774-S776 PolarHBondContact O-N 3.47Å; S776-Q778 PolarHBondContact O-N 2.67Å; S776-G779 PolarHBondContact O-N 2.94Å; S776-G779 VanDerWaalsContact O-N 3.1Å; S776-G779 PolarHBondContact OG-N 2.94Å; S776-F780 WeakPolarHBondContact O-CB 3.23Å; S776-F780 PolarHBondContact O-N 3.25Å
777L89.7Confident83.6Confident29 Ų2963 Ų6315%0.15234%0.337CS..Hα-helixtrans-55-39.1174.8178.361.9000111Q607 F610 N751 F780 M781Q607-L777 HydrophobicContact CB-CD1 4.26Å; Q607-L777 HydrophobicContact CB-CD2 4.43Å; Q607-L777 HydrophobicContact CG-CD1 4.3Å; Q607-L777 HydrophobicContact CG-CD2 3.88Å; F610-L777 HydrophobicContact CB-CD1 3.73Å; F610-L777 HydrophobicContact CD1-CB 4.15Å; F610-L777 HydrophobicContact CD1-CD1 3.68Å; F610-L777 HydrophobicContact CD1-CG 4.42Å; F610-L777 HydrophobicContact CD2-CD1 4.24Å; F610-L777 HydrophobicContact CE1-CB 3.91Å; F610-L777 HydrophobicContact CE1-CD1 4.32Å; F610-L777 HydrophobicContact CG-CD1 3.61Å; F610-L777 HydrophobicContact CZ-CB 4.11Å; N751-L777 PolarHBondContact OD1-N 3.45Å; L777-F780 HydrophobicContact CD1-CD1 4.38Å; L777-F780 WeakPolarHBondContact O-CB 3.47Å; L777-F780 PolarHBondContact O-N 3.33Å; L777-M781 HydrophobicContact CD1-CG 4.06Å; L777-M781 HydrophobicContact CG-CG 4.32Å; L777-M781 WeakPolarHBondContact O-CB 3.25Å; L777-M781 WeakPolarHBondContact O-CG 3.12Å; L777-M781 PolarHBondContact O-N 3.36Å
778Q90.7Very high85.1Confident135 Ų13562.3 Ų62.363%0.63133%0.329SS*.Hα-helixtrans-60-51.7175.4-176.8117.44.800111.4S776 F780 M781 E782S776-Q778 PolarHBondContact O-N 2.67Å; Q778-F780 VanDerWaalsContact C-N 3.3Å; Q778-F780 PolarHBondContact O-N 2.95Å; Q778-M781 PolarHBondContact O-N 3.11Å; Q778-E782 WeakPolarHBondContact CG-OE1 3.45Å; Q778-E782 WeakPolarHBondContact O-CG 3.32Å; Q778-E782 PolarHBondContact O-N 3.36Å
779G90.3Very high86.3Confident24 Ų2461.2 Ų61.225%0.24732%0.322CS..Hα-helixtrans-61.4-39.1177.900000112.4S776 E782 H783S776-G779 PolarHBondContact O-N 2.94Å; S776-G779 VanDerWaalsContact O-N 3.1Å; S776-G779 PolarHBondContact OG-N 2.94Å; G779-E782 PolarHBondContact O-N 3.42Å; G779-H783 WeakPolarHBondContact O-CB 3.43Å; G779-H783 PolarHBondContact O-N 3.1Å
780F92.7Very high87.1Confident20 Ų2060.7 Ų60.79%0.08832%0.316CS..Hα-helixtrans-60.6-47.4173.5175.5-96.1000111.8L578 F610 V775 S776 L777 Q778 H783 L784L578-F780 HydrophobicContact CD2-CE1 3.88Å; L578-F780 HydrophobicContact CD2-CZ 3.53Å; F610-F780 HydrophobicContact CB-CD1 3.85Å; F610-F780 HydrophobicContact CB-CE1 3.82Å; F610-F780 HydrophobicContact CB-CG 4.35Å; F610-F780 HydrophobicContact CB-CZ 4.3Å; F610-F780 HydrophobicContact CD2-CB 3.74Å; F610-F780 AromaticContact CD2-CD1 3.97Å; F610-F780 HydrophobicContact CD2-CD1 3.97Å; F610-F780 HydrophobicContact CD2-CD2 4.05Å; F610-F780 AromaticContact CD2-CG 3.65Å; F610-F780 HydrophobicContact CD2-CG 3.65Å; F610-F780 HydrophobicContact CE2-CB 4.08Å; F610-F780 HydrophobicContact CE2-CG 4.45Å; F610-F780 HydrophobicContact CG-CD1 4.3Å; F610-F780 HydrophobicContact CG-CG 4.42Å; V775-F780 HydrophobicContact CG1-CB 4.32Å; S776-F780 WeakPolarHBondContact O-CB 3.23Å; S776-F780 PolarHBondContact O-N 3.25Å; L777-F780 HydrophobicContact CD1-CD1 4.38Å; L777-F780 WeakPolarHBondContact O-CB 3.47Å; L777-F780 PolarHBondContact O-N 3.33Å; Q778-F780 VanDerWaalsContact C-N 3.3Å; Q778-F780 PolarHBondContact O-N 2.95Å; F780-H783 PolarHBondContact O-N 3.1Å; F780-L784 HydrophobicContact CE1-CD2 4.41Å; F780-L784 WeakPolarHBondContact O-CB 3.06Å; F780-L784 PolarHBondContact O-N 2.67Å
781M94Very high87.2Confident41 Ų4164.1 Ų64.120%0.20234%0.341CS..Hα-helixtrans-66.5-39.1179.5-71.5-59.1-71.400112.3P606 L777 Q778 L784 K785P606-M781 HydrophobicContact CB-CE 3.85Å; P606-M781 HydrophobicContact CB-SD 3.48Å; P606-M781 WeakPolarHBondContact CB-SD 3.42Å; P606-M781 HydrophobicContact CG-CE 4.19Å; P606-M781 HydrophobicContact CG-SD 4.43Å; L777-M781 HydrophobicContact CD1-CG 4.06Å; L777-M781 HydrophobicContact CG-CG 4.32Å; L777-M781 WeakPolarHBondContact O-CB 3.25Å; L777-M781 WeakPolarHBondContact O-CG 3.12Å; L777-M781 PolarHBondContact O-N 3.36Å; Q778-M781 PolarHBondContact O-N 3.11Å; M781-L784 PolarHBondContact O-N 2.98Å; M781-L784 HydrophobicContact SD-CD2 4.17Å; M781-K785 WeakPolarHBondContact O-CB 3.46Å; M781-K785 WeakPolarHBondContact O-CG 3.47Å; M781-K785 PolarHBondContact O-N 3.44Å
782E93.9Very high87Confident92 Ų9262.3 Ų62.343%0.4334%0.34SS..Hα-helixtrans-62.8-42.9174.9-74.9175.5-168.100111.9Q778 G779 K785 K786Q778-E782 WeakPolarHBondContact CG-OE1 3.45Å; Q778-E782 WeakPolarHBondContact O-CG 3.32Å; Q778-E782 PolarHBondContact O-N 3.36Å; G779-E782 PolarHBondContact O-N 3.42Å; E782-K785 PolarHBondContact O-N 3.26Å; E782-K786 WeakPolarHBondContact O-CG 3.29Å; E782-K786 PolarHBondContact O-N 3.39Å; E782-K786 VanDerWaalsContact O-N 3.14Å
783H93.9Very high86.1Confident117 Ų11764.5 Ų64.554%0.54236%0.362SS..Hα-helixtrans-66.9-42.9176-169.6-96.4000111.9G779 F780 K785 K786 L787G779-H783 WeakPolarHBondContact O-CB 3.43Å; G779-H783 PolarHBondContact O-N 3.1Å; F780-H783 PolarHBondContact O-N 3.1Å; H783-K785 VanDerWaalsContact C-N 3.34Å; H783-K785 PolarHBondContact O-N 3.16Å; H783-K786 PolarHBondContact O-N 3.37Å; H783-L787 WeakPolarHBondContact CE1-CD1 3.42Å; H783-L787 WeakPolarHBondContact O-CG 3.35Å; H783-L787 PolarHBondContact O-N 2.95Å
784L94.6Very high87Confident7 Ų760.6 Ų60.64%0.03734%0.342CS..Hα-helixtrans-58.6-45175.3177.161.8000111.6L578 I579 P606 F780 M781 K786 L787 A788L578-L784 HydrophobicContact CD1-CD2 4.33Å; L578-L784 HydrophobicContact CD2-CD1 4.09Å; L578-L784 HydrophobicContact CD2-CD2 3.75Å; L578-L784 HydrophobicContact CG-CD1 3.88Å; L578-L784 HydrophobicContact CG-CD2 3.95Å; I579-L784 HydrophobicContact CG1-CD1 3.88Å; P606-L784 HydrophobicContact CB-CD2 3.75Å; P606-L784 HydrophobicContact CG-CD2 4.14Å; F780-L784 HydrophobicContact CE1-CD2 4.41Å; F780-L784 WeakPolarHBondContact O-CB 3.06Å; F780-L784 PolarHBondContact O-N 2.67Å; M781-L784 PolarHBondContact O-N 2.98Å; M781-L784 HydrophobicContact SD-CD2 4.17Å; L784-K786 PolarHBondContact O-N 3.05Å; L784-L787 PolarHBondContact O-N 3.4Å; L784-A788 VanDerWaalsContact O-CB 3.3Å; L784-A788 WeakPolarHBondContact O-CB 3.49Å; L784-A788 PolarHBondContact O-N 2.84Å
785K94.5Very high87.5Confident64 Ų6459.7 Ų59.728%0.27834%0.338SS..Hα-helixtrans-57.8-47.3175.9-73.9170.3-176.5176.70111.4P593 F596 M781 E782 H783 L787 A788 V789P593-K785 HydrophobicContact CB-CB 4.16Å; F596-K785 HydrophobicContact CB-CB 4.38Å; F596-K785 HydrophobicContact CB-CG 4.06Å; F596-K785 HydrophobicContact CD1-CD 4.45Å; F596-K785 HydrophobicContact CD1-CG 3.61Å; F596-K785 HydrophobicContact CE1-CG 4.35Å; F596-K785 HydrophobicContact CG-CG 4.03Å; M781-K785 WeakPolarHBondContact O-CB 3.46Å; M781-K785 WeakPolarHBondContact O-CG 3.47Å; M781-K785 PolarHBondContact O-N 3.44Å; E782-K785 PolarHBondContact O-N 3.26Å; H783-K785 VanDerWaalsContact C-N 3.34Å; H783-K785 PolarHBondContact O-N 3.16Å; K785-L787 VanDerWaalsContact C-N 3.3Å; K785-L787 PolarHBondContact O-N 3.44Å; K785-A788 PolarHBondContact O-N 3.29Å; K785-V789 WeakPolarHBondContact O-CG1 3.36Å; K785-V789 WeakPolarHBondContact O-CG2 3.29Å; K785-V789 PolarHBondContact O-N 3.39Å
786K94.5Very high87.7Confident122 Ų12257.9 Ų57.953%0.5333%0.326SS..Hα-helixtrans-57.5-43.3177.7-72.6173-176.6175.40112P593 E782 H783 L784 S790P593-K786 HydrophobicContact CB-CG 4.05Å; P593-K786 HydrophobicContact CG-CB 4.4Å; P593-K786 HydrophobicContact CG-CG 3.75Å; E782-K786 WeakPolarHBondContact O-CG 3.29Å; E782-K786 PolarHBondContact O-N 3.39Å; E782-K786 VanDerWaalsContact O-N 3.14Å; H783-K786 PolarHBondContact O-N 3.37Å; L784-K786 PolarHBondContact O-N 3.05Å; K786-S790 WeakPolarHBondContact O-CB 3.49Å; K786-S790 PolarHBondContact O-N 3.12Å
787L94Very high87.6Confident61 Ų6159.5 Ų59.532%0.31933%0.332SS..Hα-helixtrans-74.3-35.4179-67-178.4000113.3I579 H783 L784 K785 V789 S790 A793I579-L787 HydrophobicContact CD1-CB 4.29Å; I579-L787 HydrophobicContact CD1-CD1 3.57Å; I579-L787 HydrophobicContact CG1-CB 4.2Å; I579-L787 HydrophobicContact CG1-CD1 4.2Å; I579-L787 HydrophobicContact CG2-CB 4.28Å; H783-L787 WeakPolarHBondContact CE1-CD1 3.42Å; H783-L787 WeakPolarHBondContact O-CG 3.35Å; H783-L787 PolarHBondContact O-N 2.95Å; L784-L787 PolarHBondContact O-N 3.4Å; K785-L787 VanDerWaalsContact C-N 3.3Å; K785-L787 PolarHBondContact O-N 3.44Å; L787-V789 VanDerWaalsContact C-N 3.34Å; L787-V789 PolarHBondContact O-N 2.93Å; L787-S790 PolarHBondContact O-OG 3.09Å; L787-A793 WeakPolarHBondContact O-CB 3.14Å
788A90.6Very high87.5Confident0 Ų061.4 Ų61.40%034%0.344CS..Hα-helixtrans-68.9-33-178.400000112.5C582 H583 Y588 F596 L784 K785C582-A788 HydrophobicContact CB-CB 3.78Å; H583-A788 PolarHBondContact CD2-O 2.8Å; Y588-A788 PolarHBondContact OH-O 3.41Å; F596-A788 HydrophobicContact CD2-CB 4.07Å; F596-A788 HydrophobicContact CE2-CB 3.64Å; F596-A788 HydrophobicContact CZ-CB 4.21Å; L784-A788 VanDerWaalsContact O-CB 3.3Å; L784-A788 WeakPolarHBondContact O-CB 3.49Å; L784-A788 PolarHBondContact O-N 2.84Å; K785-A788 PolarHBondContact O-N 3.29Å
789V91.7Very high87.3Confident3 Ų356.5 Ų56.52%0.01833%0.325CS..Hα-helixtrans-92.4-10.3-179-51.70000114.1Y588 D591 P593 F596 K785 L787Y588-V789 HydrophobicContact CD1-CG1 4.32Å; Y588-V789 HydrophobicContact CD2-CB 3.73Å; Y588-V789 HydrophobicContact CD2-CG1 3.63Å; Y588-V789 HydrophobicContact CE2-CB 4.24Å; Y588-V789 HydrophobicContact CE2-CG1 4.4Å; Y588-V789 HydrophobicContact CG-CB 4.24Å; Y588-V789 HydrophobicContact CG-CG1 3.59Å; D591-V789 PolarHBondContact N-O 3.01Å; P593-V789 HydrophobicContact CB-CG2 4.34Å; P593-V789 HydrophobicContact CG-CG2 3.94Å; F596-V789 HydrophobicContact CB-CG1 4Å; F596-V789 HydrophobicContact CD2-CG1 3.95Å; F596-V789 HydrophobicContact CG-CG1 4.4Å; K785-V789 WeakPolarHBondContact O-CG1 3.36Å; K785-V789 WeakPolarHBondContact O-CG2 3.29Å; K785-V789 PolarHBondContact O-N 3.39Å; L787-V789 VanDerWaalsContact C-N 3.34Å; L787-V789 PolarHBondContact O-N 2.93Å
790S89.5Confident87Confident21 Ų2158.9 Ų58.915%0.14733%0.33CS..  trans-69136.3-172.364.80000111K786 L787 S792 A793K786-S790 WeakPolarHBondContact O-CB 3.49Å; K786-S790 PolarHBondContact O-N 3.12Å; L787-S790 PolarHBondContact O-OG 3.09Å; S790-S792 PolarHBondContact O-N 2.98Å; S790-A793 WeakPolarHBondContact O-CB 3.48Å; S790-A793 PolarHBondContact O-N 3.07Å
791S73.9Confident86.6Confident85 Ų8561.8 Ų61.859%0.59435%0.349SS*.THydrogen-bonded Turntrans-56.8-16.4176.4-69.20000115.2D591D591-S791 PolarHBondContact OD1-N 3.25Å; D591-S791 PolarHBondContact OD1-OG 3.36Å; D591-S791 PolarHBondContact OD2-OG 3.44Å
792S67.1Low86Confident112 Ų11263.6 Ų63.678%0.78336%0.361SS*.THydrogen-bonded Turntrans-95.20-177.846.50000115.4S790S790-S792 PolarHBondContact O-N 2.98Å
793A53.9Low85.3Confident79 Ų7961 Ų6165%0.65336%0.355SS*.  trans-77.60-170.900000115.5L787 S790L787-A793 WeakPolarHBondContact O-CB 3.14Å; S790-A793 WeakPolarHBondContact O-CB 3.48Å; S790-A793 PolarHBondContact O-N 3.07Å

Retrieved 793 of 793 residues in 234.2 ms (Link to these results)

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