G4VBY2_SCHMA Loading...

SUMO-activating enzyme subunit 1

AlphaFold DB , UniProt , Accession G4VBY2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 352 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
1M33.4Very low50.3Low239 Ų239126.5 Ų126.5100%1.17769%0.694SS**  072.30-78171.7161.600108.7
2V32Very low53.4Low145 Ų145121.8 Ų121.888%0.87967%0.672SS**  trans-121.784.6174.3-174.80000105.8
3S35Very low56Low103 Ų103124.8 Ų124.872%0.7268%0.678SS**  trans-153.27.2-178.547.60000114.7
4E37Very low58.4Low179 Ų179125.5 Ų125.584%0.83668%0.675SS**SBendtrans-111.51.3179.4-88.1-176162.200116
5N41.3Very low60.3Low161 Ų161118 Ų11886%0.86163%0.634SS**SBendtrans-109.48.3-179.8-83.8-12.1000116.1
6L43.9Very low62.1Low147 Ų147112.8 Ų112.877%0.7761%0.612SS**  trans-84.4-15.8178.6-103.699.2000114.7N8L6-N8 VanDerWaalsContact C-N 3.29Å; L6-N8 PolarHBondContact O-N 3.48Å
7S45.2Very low63.7Low105 Ų105114.7 Ų114.773%0.73462%0.616SS**THydrogen-bonded Turntrans-73.4-10.9-163.953.80000116.1
8N57.9Low65.2Low130 Ų130113.9 Ų113.970%0.69561%0.611SS**THydrogen-bonded Turntrans-125.217.4179.3-77.6-15.7000114.1L6 L10 N32L6-N8 VanDerWaalsContact C-N 3.29Å; L6-N8 PolarHBondContact O-N 3.48Å; N8-L10 PolarHBondContact O-N 2.9Å; N8-N32 PolarHBondContact O-ND2 3.17Å
9N64.8Low66.7Low82 Ų82108.4 Ų108.444%0.43958%0.581SS.*  trans-7894.8-178.9-158.217000110.8I11N9-I11 PolarHBondContact O-N 3.3Å
10L79.8Confident67.9Low92 Ų92106.1 Ų106.148%0.48257%0.568SS.*  trans-78.6-7.3175.7-64.9168000112.3N8 K35 Q36N8-L10 PolarHBondContact O-N 2.9Å; L10-K35 PolarHBondContact O-NZ 2.86Å; L10-Q36 HydrophobicContact CD1-CG 4.21Å
11I83.2Confident69.1Low9 Ų9111.4 Ų111.45%0.04658%0.58CS.*  trans-89124.4-177.6-48.7-157.4000109N9 E15 A16 I23 I28 Q31 N32N9-I11 PolarHBondContact O-N 3.3Å; I11-E15 HydrophobicContact CG2-CB 3.39Å; I11-A16 HydrophobicContact CG2-CB 4.1Å; I11-I23 HydrophobicContact CD1-CD1 4.37Å; I11-I28 HydrophobicContact CB-CD1 4.42Å; I11-I28 HydrophobicContact CD1-CD1 3.58Å; I11-I28 HydrophobicContact CG1-CD1 4.07Å; I11-Q31 HydrophobicContact CD1-CB 3.69Å; I11-Q31 HydrophobicContact CD1-CG 3.35Å; I11-N32 WeakPolarHBondContact CG1-OD1 3.5Å
12T87.7Confident72Confident70 Ų70102 Ų10243%0.42953%0.533SS..  trans-68164.3172.261.70000110.6E14 E15 A16T12-E14 VanDerWaalsContact C-N 3.33Å; T12-E14 PolarHBondContact O-N 2.66Å; T12-E15 WeakPolarHBondContact CB-OE2 3.11Å; T12-E15 WeakPolarHBondContact CG2-OE2 3.25Å; T12-E15 PolarHBondContact N-OE2 2.81Å; T12-E15 PolarHBondContact O-N 2.74Å; T12-E15 WeakPolarHBondContact OG1-CB 3.4Å; T12-E15 VanDerWaalsContact OG1-CD 3.24Å; T12-E15 VanDerWaalsContact OG1-CG 3.22Å; T12-E15 WeakPolarHBondContact OG1-CG 3.47Å; T12-E15 PolarHBondContact OG1-N 3.32Å; T12-E15 PolarHBondContact OG1-OE2 2.98Å; T12-A16 WeakPolarHBondContact O-CB 3.43Å; T12-A16 PolarHBondContact O-N 2.8Å
13E87.6Confident74.8Confident160 Ų16096.7 Ų96.775%0.74850%0.5SS*.Hα-helixtrans-60-43.7178.1-169.8168.1-161.900111.9E15 A16 E17E13-E15 VanDerWaalsContact C-N 3.34Å; E13-E15 PolarHBondContact O-N 3.43Å; E13-A16 WeakPolarHBondContact O-CB 3.36Å; E13-A16 PolarHBondContact O-N 3.46Å; E13-A16 VanDerWaalsContact O-N 3.13Å; E13-E17 PolarHBondContact O-N 3.32Å
14E88.5Confident77.5Confident135 Ų135101 Ų10163%0.63150%0.5SS*.Hα-helixtrans-59.5-42.1176.2-63.6-179.6-177.900112.4T12 E17 L18 M105T12-E14 VanDerWaalsContact C-N 3.33Å; T12-E14 PolarHBondContact O-N 2.66Å; E14-E17 PolarHBondContact O-N 2.89Å; E14-L18 WeakPolarHBondContact O-CB 3.22Å; E14-L18 PolarHBondContact O-N 3.27Å; E14-M105 HydrophobicContact CB-CE 4.31Å
15E88Confident80Confident13 Ų1398.9 Ų98.96%0.06149%0.494CS..Hα-helixtrans-71.8-32.8176.6-69.7165.6131.300112.3I11 T12 E13 E17 L18 Y19 K35 M105I11-E15 HydrophobicContact CG2-CB 3.39Å; T12-E15 WeakPolarHBondContact CB-OE2 3.11Å; T12-E15 WeakPolarHBondContact CG2-OE2 3.25Å; T12-E15 PolarHBondContact N-OE2 2.81Å; T12-E15 PolarHBondContact O-N 2.74Å; T12-E15 WeakPolarHBondContact OG1-CB 3.4Å; T12-E15 VanDerWaalsContact OG1-CD 3.24Å; T12-E15 VanDerWaalsContact OG1-CG 3.22Å; T12-E15 WeakPolarHBondContact OG1-CG 3.47Å; T12-E15 PolarHBondContact OG1-N 3.32Å; T12-E15 PolarHBondContact OG1-OE2 2.98Å; E13-E15 VanDerWaalsContact C-N 3.34Å; E13-E15 PolarHBondContact O-N 3.43Å; E15-E17 VanDerWaalsContact C-N 3.31Å; E15-L18 PolarHBondContact O-N 3.24Å; E15-Y19 HydrophobicContact CB-CD2 4.08Å; E15-Y19 HydrophobicContact CB-CE2 4.06Å; E15-Y19 HydrophobicContact CG-CE2 4.28Å; E15-Y19 WeakPolarHBondContact O-CB 3.43Å; E15-Y19 WeakPolarHBondContact O-CD2 3.04Å; E15-Y19 PolarHBondContact O-N 2.73Å; E15-K35 WeakPolarHBondContact OE1-CE 3.13Å; E15-K35 IonicContact OE1-NZ 2.66Å; E15-K35 PolarHBondContact OE1-NZ 3.4Å; E15-K35 IonicContact OE2-NZ 3.27Å; E15-K35 PolarHBondContact OE2-NZ 3.47Å; E15-M105 HydrophobicContact CG-CE 4.32Å; E15-M105 HydrophobicContact CG-CG 4.15Å; E15-M105 HydrophobicContact CG-SD 4.3Å
16A87.9Confident82.3Confident34 Ų3492.8 Ų92.828%0.28146%0.459SS..Hα-helixtrans-66.2-37.417600000110.9I11 T12 E13 D20I11-A16 HydrophobicContact CG2-CB 4.1Å; T12-A16 WeakPolarHBondContact O-CB 3.43Å; T12-A16 PolarHBondContact O-N 2.8Å; E13-A16 WeakPolarHBondContact O-CB 3.36Å; E13-A16 PolarHBondContact O-N 3.46Å; E13-A16 VanDerWaalsContact O-N 3.13Å; A16-D20 WeakPolarHBondContact O-CA 3.46Å; A16-D20 PolarHBondContact O-N 3.09Å
17E90Very high84.5Confident146 Ų14687.2 Ų87.268%0.68244%0.437SS*.Hα-helixtrans-67.1-46.9171.6-69.5-175.3168.700111.8E13 E14 E15 Y19 D20E13-E17 PolarHBondContact O-N 3.32Å; E14-E17 PolarHBondContact O-N 2.89Å; E15-E17 VanDerWaalsContact C-N 3.31Å; E17-Y19 VanDerWaalsContact C-N 3.32Å; E17-Y19 PolarHBondContact O-N 2.67Å; E17-D20 PolarHBondContact O-N 3.42Å
18L90.5Very high86.7Confident100 Ų10085.6 Ų85.652%0.52442%0.419SS..Hα-helixtrans-60.3-41.3179.4-177.962.8000112.2E14 E15 M105E14-L18 WeakPolarHBondContact O-CB 3.22Å; E14-L18 PolarHBondContact O-N 3.27Å; E15-L18 PolarHBondContact O-N 3.24Å; L18-M105 HydrophobicContact CD2-CG 4.26Å
19Y92.9Very high88.4Confident10 Ų1085.3 Ų85.34%0.03941%0.414CS..THydrogen-bonded Turntrans-101.313.6-175.4-54.8-47.9000114E15 E17 R21 Q22 I23 Q31 G59 N103E15-Y19 HydrophobicContact CB-CD2 4.08Å; E15-Y19 HydrophobicContact CB-CE2 4.06Å; E15-Y19 HydrophobicContact CG-CE2 4.28Å; E15-Y19 WeakPolarHBondContact O-CB 3.43Å; E15-Y19 WeakPolarHBondContact O-CD2 3.04Å; E15-Y19 PolarHBondContact O-N 2.73Å; E17-Y19 VanDerWaalsContact C-N 3.32Å; E17-Y19 PolarHBondContact O-N 2.67Å; Y19-R21 VanDerWaalsContact C-N 3.31Å; Y19-R21 PolarHBondContact O-N 3.39Å; Y19-Q22 WeakPolarHBondContact O-CA 3.45Å; Y19-Q22 VanDerWaalsContact O-CB 3.32Å; Y19-Q22 WeakPolarHBondContact O-CB 3.45Å; Y19-Q22 PolarHBondContact O-N 3.41Å; Y19-I23 WeakPolarHBondContact O-CG1 3.4Å; Y19-I23 PolarHBondContact O-N 3.37Å; Y19-Q31 HydrophobicContact CD2-CG 4.3Å; Y19-G59 WeakPolarHBondContact OH-CA 3.39Å; Y19-N103 PolarHBondContact OH-ND2 3.35Å
20D92.2Very high89.8Confident62 Ų6281.4 Ų81.433%0.33239%0.393SS..Hα-helixtrans-51.3-47.4-175.3174.649.9000112.5A16 E17 Q22 I23 R24A16-D20 WeakPolarHBondContact O-CA 3.46Å; A16-D20 PolarHBondContact O-N 3.09Å; E17-D20 PolarHBondContact O-N 3.42Å; D20-Q22 VanDerWaalsContact C-N 3.3Å; D20-Q22 PolarHBondContact O-N 3.42Å; D20-I23 PolarHBondContact O-N 3.28Å; D20-R24 VanDerWaalsContact CG-NE 3.33Å; D20-R24 VanDerWaalsContact O-CG 3.3Å; D20-R24 WeakPolarHBondContact O-CG 2.84Å; D20-R24 PolarHBondContact O-N 3.14Å; D20-R24 IonicContact OD1-CZ 3.92Å; D20-R24 IonicContact OD1-NE 3.63Å; D20-R24 PolarHBondContact OD1-NE 2.71Å; D20-R24 IonicContact OD1-NH2 2.83Å; D20-R24 PolarHBondContact OD1-NH2 3.42Å; D20-R24 IonicContact OD2-CZ 3.74Å; D20-R24 VanDerWaalsContact OD2-CZ 3.22Å; D20-R24 IonicContact OD2-NE 3.22Å; D20-R24 PolarHBondContact OD2-NE 3.01Å; D20-R24 IonicContact OD2-NH2 2.7Å; D20-R24 PolarHBondContact OD2-NH2 3.07Å
21R93Very high90.5Very high218 Ų21877 Ų7782%0.82337%0.37SS*.Hα-helixtrans-61.2-38.7177.9-70.7-175.2176.5177.60112.8Y19 L25Y19-R21 VanDerWaalsContact C-N 3.31Å; Y19-R21 PolarHBondContact O-N 3.39Å; R21-L25 PolarHBondContact O-N 2.93Å
22Q92.9Very high91.1Very high41 Ų4177.4 Ų77.419%0.19237%0.372CS..Hα-helixtrans-69.9-45179.1-61.9-169.8145.100110.8Y19 D20 R24 L25 W26 A58Y19-Q22 WeakPolarHBondContact O-CA 3.45Å; Y19-Q22 VanDerWaalsContact O-CB 3.32Å; Y19-Q22 WeakPolarHBondContact O-CB 3.45Å; Y19-Q22 PolarHBondContact O-N 3.41Å; D20-Q22 VanDerWaalsContact C-N 3.3Å; D20-Q22 PolarHBondContact O-N 3.42Å; Q22-R24 VanDerWaalsContact C-N 3.28Å; Q22-R24 PolarHBondContact O-N 3.18Å; Q22-L25 WeakPolarHBondContact O-CB 3.5Å; Q22-L25 PolarHBondContact O-N 3.17Å; Q22-W26 HydrophobicContact CB-CH2 4.2Å; Q22-W26 HydrophobicContact CB-CZ2 3.45Å; Q22-W26 VanDerWaalsContact CB-CZ2 3.45Å; Q22-W26 HydrophobicContact CG-CH2 4.18Å; Q22-W26 HydrophobicContact CG-CZ2 3.81Å; Q22-W26 PolarHBondContact O-N 3.1Å; Q22-W26 PolarHBondContact O-NE1 2.7Å; Q22-A58 PolarHBondContact NE2-O 3.21Å; Q22-A58 VanDerWaalsContact NE2-O 3.13Å
23I92Very high91.5Very high33 Ų3376.3 Ų76.317%0.16936%0.36CS..Hα-helixtrans-61.3-37.7177-66.7165.2000110.8I11 Y19 D20 L25 G27 I28 Q31I11-I23 HydrophobicContact CD1-CD1 4.37Å; Y19-I23 WeakPolarHBondContact O-CG1 3.4Å; Y19-I23 PolarHBondContact O-N 3.37Å; D20-I23 PolarHBondContact O-N 3.28Å; I23-L25 VanDerWaalsContact C-N 3.31Å; I23-L25 PolarHBondContact O-N 3.24Å; I23-G27 WeakPolarHBondContact O-CA 3.47Å; I23-G27 PolarHBondContact O-N 3.36Å; I23-I28 HydrophobicContact CD1-CD1 3.84Å; I23-I28 HydrophobicContact CG1-CD1 4.19Å; I23-I28 HydrophobicContact CG2-CB 4.25Å; I23-I28 HydrophobicContact CG2-CD1 4.18Å; I23-Q31 HydrophobicContact CD1-CG 4.44Å; I23-Q31 HydrophobicContact CG1-CB 3.92Å; I23-Q31 HydrophobicContact CG1-CG 3.95Å
24R91.3Very high91.8Very high194 Ų19468.8 Ų68.873%0.73233%0.325SS*.Hα-helixtrans-65.2-33.9173.1-70.4173.3-167.6-141.110.4113.1D20 Q22D20-R24 VanDerWaalsContact CG-NE 3.33Å; D20-R24 VanDerWaalsContact O-CG 3.3Å; D20-R24 WeakPolarHBondContact O-CG 2.84Å; D20-R24 PolarHBondContact O-N 3.14Å; D20-R24 IonicContact OD1-CZ 3.92Å; D20-R24 IonicContact OD1-NE 3.63Å; D20-R24 PolarHBondContact OD1-NE 2.71Å; D20-R24 IonicContact OD1-NH2 2.83Å; D20-R24 PolarHBondContact OD1-NH2 3.42Å; D20-R24 IonicContact OD2-CZ 3.74Å; D20-R24 VanDerWaalsContact OD2-CZ 3.22Å; D20-R24 IonicContact OD2-NE 3.22Å; D20-R24 PolarHBondContact OD2-NE 3.01Å; D20-R24 IonicContact OD2-NH2 2.7Å; D20-R24 PolarHBondContact OD2-NH2 3.07Å; Q22-R24 VanDerWaalsContact C-N 3.28Å; Q22-R24 PolarHBondContact O-N 3.18Å
25L89.5Confident92.1Very high134 Ų13464.8 Ų64.870%0.70231%0.306SS*.Hα-helixtrans-74.3-47.5-178-17763.6000112.1R21 Q22 I23R21-L25 PolarHBondContact O-N 2.93Å; Q22-L25 WeakPolarHBondContact O-CB 3.5Å; Q22-L25 PolarHBondContact O-N 3.17Å; I23-L25 VanDerWaalsContact C-N 3.31Å; I23-L25 PolarHBondContact O-N 3.24Å
26W88.7Confident92.5Very high34 Ų3469.6 Ų69.613%0.12933%0.328CS..Hα-helixtrans-123.6-1.3-172.148.557.4000115.7Q22 S30 L34 I318 T322 K324Q22-W26 HydrophobicContact CB-CH2 4.2Å; Q22-W26 HydrophobicContact CB-CZ2 3.45Å; Q22-W26 VanDerWaalsContact CB-CZ2 3.45Å; Q22-W26 HydrophobicContact CG-CH2 4.18Å; Q22-W26 HydrophobicContact CG-CZ2 3.81Å; Q22-W26 PolarHBondContact O-N 3.1Å; Q22-W26 PolarHBondContact O-NE1 2.7Å; W26-S30 VanDerWaalsContact O-CB 3.28Å; W26-S30 WeakPolarHBondContact O-CB 3.27Å; W26-S30 PolarHBondContact O-OG 3.47Å; W26-L34 HydrophobicContact CH2-CD1 4.5Å; W26-L34 HydrophobicContact CZ2-CD1 3.67Å; W26-I318 HydrophobicContact CE3-CG2 4.3Å; W26-I318 HydrophobicContact CH2-CG2 3.72Å; W26-I318 HydrophobicContact CZ2-CG2 4.44Å; W26-I318 HydrophobicContact CZ3-CG2 3.63Å; W26-T322 HydrophobicContact CD2-CG2 4.05Å; W26-T322 HydrophobicContact CE3-CG2 4.44Å; W26-T322 HydrophobicContact CG-CG2 4.18Å; W26-K324 HydrophobicContact CB-CB 4.42Å; W26-K324 HydrophobicContact CB-CG 4.04Å; W26-K324 VanDerWaalsContact O-CE 3.26Å; W26-K324 WeakPolarHBondContact O-CE 3.49Å
27G91.6Very high93Very high30 Ų3068.5 Ų68.531%0.30932%0.318SS..  trans85.3159178.900000114.1I23 E29 S30 Q31I23-G27 WeakPolarHBondContact O-CA 3.47Å; I23-G27 PolarHBondContact O-N 3.36Å; G27-E29 VanDerWaalsContact C-N 3.33Å; G27-E29 PolarHBondContact O-N 2.81Å; G27-S30 PolarHBondContact O-N 3.38Å; G27-Q31 PolarHBondContact O-N 2.98Å
28I91.8Very high93.4Very high70 Ų7066.1 Ų66.136%0.35931%0.306SS..Hα-helixtrans-61.8-37.7-175.4-168.369.2000113.1I11 I23 S30 Q31 N32I11-I28 HydrophobicContact CB-CD1 4.42Å; I11-I28 HydrophobicContact CD1-CD1 3.58Å; I11-I28 HydrophobicContact CG1-CD1 4.07Å; I23-I28 HydrophobicContact CD1-CD1 3.84Å; I23-I28 HydrophobicContact CG1-CD1 4.19Å; I23-I28 HydrophobicContact CG2-CB 4.25Å; I23-I28 HydrophobicContact CG2-CD1 4.18Å; I28-S30 VanDerWaalsContact C-N 3.32Å; I28-S30 PolarHBondContact O-N 2.83Å; I28-Q31 PolarHBondContact O-N 3.47Å; I28-N32 PolarHBondContact O-N 3.12Å
29E92.4Very high93.8Very high124 Ų12461.4 Ų61.458%0.57928%0.281SS*.Hα-helixtrans-64.3-38.5-179.4-163.5-164.7147.300111.9G27 N32 R33G27-E29 VanDerWaalsContact C-N 3.33Å; G27-E29 PolarHBondContact O-N 2.81Å; E29-N32 WeakPolarHBondContact O-CB 3.09Å; E29-N32 PolarHBondContact O-N 2.9Å; E29-R33 PolarHBondContact O-N 2.78Å; E29-R33 VanDerWaalsContact O-N 3.1Å; E29-R33 IonicContact OE1-CZ 2.83Å; E29-R33 IonicContact OE1-NH1 2.81Å; E29-R33 PolarHBondContact OE1-NH1 3.32Å; E29-R33 IonicContact OE1-NH2 2.92Å
30S94Very high94Very high1 Ų160.9 Ų60.91%0.00728%0.279CS..Hα-helixtrans-67.7-38.6175.4-55.30000111.5W26 G27 I28 R33 L34 T322 K324W26-S30 VanDerWaalsContact O-CB 3.28Å; W26-S30 WeakPolarHBondContact O-CB 3.27Å; W26-S30 PolarHBondContact O-OG 3.47Å; G27-S30 PolarHBondContact O-N 3.38Å; I28-S30 VanDerWaalsContact C-N 3.32Å; I28-S30 PolarHBondContact O-N 2.83Å; S30-R33 WeakPolarHBondContact O-CB 3.28Å; S30-R33 PolarHBondContact O-N 2.67Å; S30-R33 PolarHBondContact OG-NH2 3.13Å; S30-L34 PolarHBondContact O-N 2.88Å; S30-L34 VanDerWaalsContact O-N 3.15Å; S30-T322 PolarHBondContact OG-O 3.39Å; S30-K324 WeakPolarHBondContact OG-CG 3.34Å
31Q95.1Very high94.4Very high0 Ų058 Ų580%026%0.263CS..Hα-helixtrans-66.9-36.9174.2-167.465.736.100111.7I11 Y19 I23 G27 I28 R33 L34 K35 A58I11-Q31 HydrophobicContact CD1-CB 3.69Å; I11-Q31 HydrophobicContact CD1-CG 3.35Å; Y19-Q31 HydrophobicContact CD2-CG 4.3Å; I23-Q31 HydrophobicContact CD1-CG 4.44Å; I23-Q31 HydrophobicContact CG1-CB 3.92Å; I23-Q31 HydrophobicContact CG1-CG 3.95Å; G27-Q31 PolarHBondContact O-N 2.98Å; I28-Q31 PolarHBondContact O-N 3.47Å; Q31-R33 VanDerWaalsContact C-N 3.33Å; Q31-R33 PolarHBondContact O-N 2.98Å; Q31-L34 WeakPolarHBondContact O-CB 3.42Å; Q31-L34 PolarHBondContact O-N 3.06Å; Q31-K35 PolarHBondContact O-N 3.12Å; Q31-A58 PolarHBondContact NE2-O 3.27Å; Q31-A58 VanDerWaalsContact NE2-O 3.11Å
32N95.1Very high94.6Very high17 Ų1747.8 Ų47.89%0.09123%0.225CC..Hα-helixtrans-60.4-41172.7-79.4-30.8000111.9N8 I11 I28 E29 K35 Q36N8-N32 PolarHBondContact O-ND2 3.17Å; I11-N32 WeakPolarHBondContact CG1-OD1 3.5Å; I28-N32 PolarHBondContact O-N 3.12Å; E29-N32 WeakPolarHBondContact O-CB 3.09Å; E29-N32 PolarHBondContact O-N 2.9Å; N32-K35 PolarHBondContact O-N 3.05Å; N32-Q36 WeakPolarHBondContact O-CG 3.25Å; N32-Q36 PolarHBondContact O-N 2.8Å; N32-Q36 VanDerWaalsContact O-N 3.09Å
33R95.8Very high94.8Very high47 Ų4746.5 Ų46.518%0.17722%0.223CC..Hα-helixtrans-61.2-44.1174.3-75.1-173-81.9-86.7-0.5112.3E29 S30 Q31 Q36 S37 I321 T322E29-R33 PolarHBondContact O-N 2.78Å; E29-R33 VanDerWaalsContact O-N 3.1Å; E29-R33 IonicContact OE1-CZ 2.83Å; E29-R33 IonicContact OE1-NH1 2.81Å; E29-R33 PolarHBondContact OE1-NH1 3.32Å; E29-R33 IonicContact OE1-NH2 2.92Å; S30-R33 WeakPolarHBondContact O-CB 3.28Å; S30-R33 PolarHBondContact O-N 2.67Å; S30-R33 PolarHBondContact OG-NH2 3.13Å; Q31-R33 VanDerWaalsContact C-N 3.33Å; Q31-R33 PolarHBondContact O-N 2.98Å; R33-Q36 PolarHBondContact O-N 2.88Å; R33-S37 PolarHBondContact O-N 3.46Å; R33-S37 PolarHBondContact O-OG 2.95Å; R33-I321 HydrophobicContact CB-CG2 4.29Å; R33-I321 WeakPolarHBondContact CB-O 3.42Å; R33-I321 WeakPolarHBondContact CD-O 3.29Å; R33-T322 PolarHBondContact NE-O 2.81Å; R33-T322 VanDerWaalsContact NE-O 3.07Å; R33-T322 PolarHBondContact NH2-O 3.05Å
34L95.2Very high95.1Very high1 Ų145 Ų451%0.00522%0.215CC..Hα-helixtrans-57-52.6173-78.2165.1000110.7W26 S30 Q31 Q36 S37 A58 G59 I60 S61 I321 T322W26-L34 HydrophobicContact CH2-CD1 4.5Å; W26-L34 HydrophobicContact CZ2-CD1 3.67Å; S30-L34 PolarHBondContact O-N 2.88Å; S30-L34 VanDerWaalsContact O-N 3.15Å; Q31-L34 WeakPolarHBondContact O-CB 3.42Å; Q31-L34 PolarHBondContact O-N 3.06Å; L34-Q36 PolarHBondContact O-N 2.84Å; L34-Q36 VanDerWaalsContact O-N 3.08Å; L34-S37 VanDerWaalsContact O-CB 3.32Å; L34-S37 WeakPolarHBondContact O-CB 3.48Å; L34-S37 PolarHBondContact O-N 3.33Å; L34-A58 HydrophobicContact CD2-CB 4.47Å; L34-G59 CarbonylContact C-O 3.51Å; L34-I60 HydrophobicContact CD2-CG2 4.22Å; L34-I60 VanDerWaalsContact O-CA 3.28Å; L34-I60 WeakPolarHBondContact O-CA 3.39Å; L34-S61 PolarHBondContact O-N 2.9Å; L34-I321 HydrophobicContact CB-CG2 4.41Å; L34-I321 HydrophobicContact CD2-CB 4.02Å; L34-I321 HydrophobicContact CD2-CD1 4.22Å; L34-I321 HydrophobicContact CD2-CG2 3.65Å; L34-I321 HydrophobicContact CG-CG2 3.9Å; L34-T322 HydrophobicContact CD1-CG2 3.66Å; L34-T322 HydrophobicContact CG-CG2 3.96Å
35K94.5Very high95.4Very high52 Ų5236.4 Ų36.423%0.22618%0.184CC..Hα-helixtrans-59.8-24.9-178.4-174.9175.3174.3176.70114.2L10 E15 Q31 N32 G59 S61L10-K35 PolarHBondContact O-NZ 2.86Å; E15-K35 WeakPolarHBondContact OE1-CE 3.13Å; E15-K35 IonicContact OE1-NZ 2.66Å; E15-K35 PolarHBondContact OE1-NZ 3.4Å; E15-K35 IonicContact OE2-NZ 3.27Å; E15-K35 PolarHBondContact OE2-NZ 3.47Å; Q31-K35 PolarHBondContact O-N 3.12Å; N32-K35 PolarHBondContact O-N 3.05Å; K35-G59 PolarHBondContact N-O 2.94Å; K35-S61 VanDerWaalsContact O-CA 3.3Å; K35-S61 WeakPolarHBondContact O-CA 3.04Å; K35-S61 WeakPolarHBondContact O-CB 3.49Å; K35-S61 PolarHBondContact O-OG 3.13Å; K35-S61 VanDerWaalsContact O-OG 3.12Å
36Q96Very high95.7Very high113 Ų11330.9 Ų30.953%0.52816%0.156SC..Hα-helixtrans-89.5-11.5176.1-70.1177.1-23.400113.7L10 N32 R33 L34 K38 N125L10-Q36 HydrophobicContact CD1-CG 4.21Å; N32-Q36 WeakPolarHBondContact O-CG 3.25Å; N32-Q36 PolarHBondContact O-N 2.8Å; N32-Q36 VanDerWaalsContact O-N 3.09Å; R33-Q36 PolarHBondContact O-N 2.88Å; L34-Q36 PolarHBondContact O-N 2.84Å; L34-Q36 VanDerWaalsContact O-N 3.08Å; Q36-K38 PolarHBondContact O-N 3.22Å; Q36-N125 PolarHBondContact O-OD1 3.08Å
37S97.9Very high96.2Very high11 Ų1129.3 Ų29.38%0.07715%0.15CC..  trans-79.1121.4-172.8-65.70000112.3R33 L34 S61 N125 I321R33-S37 PolarHBondContact O-N 3.46Å; R33-S37 PolarHBondContact O-OG 2.95Å; L34-S37 VanDerWaalsContact O-CB 3.32Å; L34-S37 WeakPolarHBondContact O-CB 3.48Å; L34-S37 PolarHBondContact O-N 3.33Å; S37-S61 WeakPolarHBondContact O-CA 3.28Å; S37-S61 WeakPolarHBondContact O-CB 3.35Å; S37-S61 PolarHBondContact O-N 2.92Å; S37-N125 WeakPolarHBondContact CA-OD1 3.37Å; S37-I321 WeakPolarHBondContact OG-CG2 3.12Å
38K98.6Very high96.5Very high97 Ų9727.9 Ų27.942%0.42214%0.135SC..EExtended strand (participates in β ladder)trans-98.3125.3172.1-60.9175.6-179.7176.80109.4Q36 E123 Y124 N125 L126Q36-K38 PolarHBondContact O-N 3.22Å; K38-E123 VanDerWaalsContact CD-O 3.25Å; K38-E123 WeakPolarHBondContact CD-O 3.36Å; K38-Y124 HydrophobicContact CB-CD1 4.12Å; K38-N125 PolarHBondContact N-OD1 3.27Å; K38-N125 PolarHBondContact O-N 3.32Å; K38-L126 PolarHBondContact O-N 3.44Å
39V98.8Very high96.9Very high0 Ų024.5 Ų24.50%012%0.118CC..EExtended strand (participates in β ladder)trans-114.8133.5-176.2-175.60000110.5I55 I60 S62 L63 T64 L126 I128V39-I55 HydrophobicContact CG1-CD1 4.01Å; V39-I60 HydrophobicContact CB-CD1 3.99Å; V39-I60 HydrophobicContact CG2-CB 4.48Å; V39-I60 HydrophobicContact CG2-CD1 3.64Å; V39-I60 HydrophobicContact CG2-CG2 4.3Å; V39-S62 PolarHBondContact N-O 2.71Å; V39-L63 HydrophobicContact CB-CD1 4.1Å; V39-L63 HydrophobicContact CG1-CD1 3.98Å; V39-T64 PolarHBondContact O-N 3.2Å; V39-L126 WeakPolarHBondContact CA-O 3.17Å; V39-L126 HydrophobicContact CG1-CD2 4.17Å; V39-L126 HydrophobicContact CG1-CG 4.23Å; V39-L126 HydrophobicContact CG2-CB 4.32Å; V39-L126 HydrophobicContact CG2-CD2 4.19Å; V39-I128 HydrophobicContact CG1-CD1 3.64Å; V39-I128 HydrophobicContact CG1-CG1 4Å
40L98.7Very high97.2Very high0 Ų019.9 Ų19.90%010%0.096CC..EExtended strand (participates in β ladder)trans-104.7125.4168-179.661.9000109.2L42 T64 I66 F121 Y124 L126 I127 I128L40-L42 HydrophobicContact CD1-CD2 4.08Å; L40-L42 HydrophobicContact CD2-CD2 3.96Å; L40-L42 HydrophobicContact CD2-CG 4.37Å; L40-L42 HydrophobicContact CG-CD2 3.86Å; L40-L42 HydrophobicContact CG-CG 4.23Å; L40-T64 WeakPolarHBondContact CA-O 3.45Å; L40-T64 HydrophobicContact CD1-CG2 4Å; L40-I66 HydrophobicContact CD1-CD1 3.67Å; L40-I66 HydrophobicContact CD1-CG1 3.83Å; L40-F121 HydrophobicContact CD2-CD1 3.64Å; L40-F121 HydrophobicContact CD2-CE1 3.68Å; L40-Y124 HydrophobicContact CB-CD1 3.74Å; L40-Y124 HydrophobicContact CB-CD2 3.84Å; L40-Y124 HydrophobicContact CB-CE1 3.98Å; L40-Y124 HydrophobicContact CB-CE2 4.08Å; L40-Y124 HydrophobicContact CB-CG 3.66Å; L40-Y124 HydrophobicContact CD1-CE1 4.37Å; L40-Y124 HydrophobicContact CD1-CE2 4.16Å; L40-Y124 HydrophobicContact CD2-CD2 3.99Å; L40-Y124 HydrophobicContact CD2-CE2 3.95Å; L40-Y124 HydrophobicContact CG-CD2 4.41Å; L40-Y124 HydrophobicContact CG-CE2 4.3Å; L40-L126 PolarHBondContact N-O 3.46Å; L40-I127 HydrophobicContact CB-CG1 4.24Å; L40-I127 HydrophobicContact CD2-CG1 4.33Å; L40-I127 HydrophobicContact CD2-CG2 4.33Å; L40-I127 CarbonylContact O-C 3.33Å; L40-I127 WeakPolarHBondContact O-CA 3.38Å; L40-I128 PolarHBondContact O-N 3.41Å
41L98.8Very high97.4Very high0 Ų019.9 Ų19.90%010%0.096CC..EExtended strand (participates in β ladder)trans-113114.6176.1179.365.3000109.2G43 M44 A48 A52 L63 T64 I65 I66 I128 V130L41-G43 WeakPolarHBondContact CG-O 3.44Å; L41-M44 HydrophobicContact CD2-SD 3.73Å; L41-A48 HydrophobicContact CD1-CB 4.31Å; L41-A48 HydrophobicContact CD2-CB 4.23Å; L41-A52 HydrophobicContact CD2-CB 4.12Å; L41-L63 HydrophobicContact CB-CD1 3.87Å; L41-L63 HydrophobicContact CD2-CD1 4.5Å; L41-T64 PolarHBondContact N-O 2.8Å; L41-I65 HydrophobicContact CD2-CG1 4.39Å; L41-I65 CarbonylContact O-C 3.5Å; L41-I65 WeakPolarHBondContact O-CA 3.36Å; L41-I66 PolarHBondContact O-N 2.9Å; L41-I128 CarbonylContact C-O 3.55Å; L41-I128 WeakPolarHBondContact CA-O 3.26Å; L41-I128 HydrophobicContact CD1-CB 3.73Å; L41-I128 HydrophobicContact CD1-CG2 3.76Å; L41-V130 HydrophobicContact CD1-CG2 3.89Å
42L98.2Very high97.6Very high5 Ų519.9 Ų19.93%0.02610%0.096CC..EExtended strand (participates in β ladder)trans-100.4108.2178.3-57.5-176.5000108.9L40 I66 L113 F121 I127 I128 L129 V130 I144L40-L42 HydrophobicContact CD1-CD2 4.08Å; L40-L42 HydrophobicContact CD2-CD2 3.96Å; L40-L42 HydrophobicContact CD2-CG 4.37Å; L40-L42 HydrophobicContact CG-CD2 3.86Å; L40-L42 HydrophobicContact CG-CG 4.23Å; L42-I66 HydrophobicContact CD2-CB 3.69Å; L42-I66 HydrophobicContact CD2-CD1 3.9Å; L42-I66 HydrophobicContact CD2-CG1 4.02Å; L42-I66 HydrophobicContact CD2-CG2 4.26Å; L42-L113 HydrophobicContact CD1-CD1 4.42Å; L42-L113 HydrophobicContact CD2-CD1 3.81Å; L42-F121 HydrophobicContact CD1-CE1 4.35Å; L42-F121 HydrophobicContact CD1-CZ 4.32Å; L42-I127 HydrophobicContact CD1-CG2 4.1Å; L42-I127 HydrophobicContact CG-CG2 4.37Å; L42-I128 PolarHBondContact N-O 3.38Å; L42-L129 HydrophobicContact CB-CG 4.48Å; L42-L129 HydrophobicContact CD1-CD2 4.43Å; L42-L129 HydrophobicContact CD1-CG 4.17Å; L42-V130 PolarHBondContact O-N 2.88Å; L42-I144 HydrophobicContact CD1-CD1 3.71Å
43G97.7Very high97.7Very high13 Ų1321.7 Ų21.713%0.13410%0.103CC..  trans96.7142.9-17200000112.9L41 A48 I66 V130L41-G43 WeakPolarHBondContact CG-O 3.44Å; G43-A48 WeakPolarHBondContact O-CB 3Å; G43-I66 PolarHBondContact N-O 2.89Å; G43-V130 WeakPolarHBondContact CA-O 3.33Å
44M98Very high97.9Very high1 Ų121.4 Ų21.41%0.00511%0.105CC..  trans-137.548.7-173.1-16262.9-126.100112.1L41 A48 A49 A52 I65 D67 N79 L81 R91 V95L41-M44 HydrophobicContact CD2-SD 3.73Å; M44-A48 HydrophobicContact CE-CB 4.06Å; M44-A48 HydrophobicContact SD-CB 4.26Å; M44-A49 HydrophobicContact CE-CB 3.81Å; M44-A49 VanDerWaalsContact CE-N 3.31Å; M44-A52 HydrophobicContact CE-CB 4.38Å; M44-I65 HydrophobicContact CB-CG2 4Å; M44-I65 HydrophobicContact CG-CG2 4.01Å; M44-I65 HydrophobicContact SD-CD1 3.99Å; M44-I65 HydrophobicContact SD-CG2 3.74Å; M44-D67 WeakPolarHBondContact CA-OD2 3.44Å; M44-D67 HydrophobicContact CB-CB 3.8Å; M44-D67 PolarHBondContact N-OD2 2.85Å; M44-N79 PolarHBondContact O-ND2 2.94Å; M44-L81 HydrophobicContact CE-CD1 3.98Å; M44-R91 HydrophobicContact CB-CB 4.14Å; M44-V95 HydrophobicContact CE-CG1 4.31Å; M44-V95 HydrophobicContact CG-CB 4.38Å; M44-V95 HydrophobicContact CG-CG1 3.82Å; M44-V95 HydrophobicContact CG-CG2 3.72Å; M44-V95 HydrophobicContact SD-CG2 3.96Å
45N96.3Very high98Very high15 Ų1521.4 Ų21.48%0.0811%0.105CC..SBendtrans-80.5179.5173.376.46.5000111.5L47 A48 A49 V130N45-L47 VanDerWaalsContact C-N 3.31Å; N45-L47 PolarHBondContact O-N 3.35Å; N45-L47 WeakPolarHBondContact OD1-CB 3.44Å; N45-L47 PolarHBondContact OD1-N 3.23Å; N45-L47 VanDerWaalsContact OD1-N 3.11Å; N45-A48 WeakPolarHBondContact O-CB 3.48Å; N45-A48 PolarHBondContact O-N 3.18Å; N45-A48 PolarHBondContact OD1-N 2.85Å; N45-A49 PolarHBondContact O-N 3.26Å; N45-V130 WeakPolarHBondContact OD1-CG1 3.42Å
46P97.6Very high98.2Very high18 Ų1818.9 Ų18.912%0.1179%0.094CC..Hα-helixtrans-53.6-38.3178.6-32.239.3000115.5A49 E50 N78 N79 N306P46-A49 WeakPolarHBondContact O-CB 3.3Å; P46-A49 PolarHBondContact O-N 3.3Å; P46-E50 PolarHBondContact O-N 2.87Å; P46-N78 HydrophobicContact CB-CB 4.28Å; P46-N78 WeakPolarHBondContact CB-O 3.16Å; P46-N78 HydrophobicContact CG-CB 3.5Å; P46-N78 VanDerWaalsContact CG-CB 3.5Å; P46-N79 HydrophobicContact CG-CB 4.28Å; P46-N306 HydrophobicContact CB-CB 4.27Å
47L98.3Very high98.3Very high0 Ų017.3 Ų17.30%09%0.089CC..Hα-helixtrans-64.1-43.8175175.864.5000111.4N45 A49 E50 I51 V130 A162 V164 N306 L309N45-L47 VanDerWaalsContact C-N 3.31Å; N45-L47 PolarHBondContact O-N 3.35Å; N45-L47 WeakPolarHBondContact OD1-CB 3.44Å; N45-L47 PolarHBondContact OD1-N 3.23Å; N45-L47 VanDerWaalsContact OD1-N 3.11Å; L47-A49 PolarHBondContact O-N 3.29Å; L47-E50 PolarHBondContact O-N 2.74Å; L47-I51 HydrophobicContact CD1-CD1 4.3Å; L47-I51 HydrophobicContact CG-CD1 4.06Å; L47-I51 WeakPolarHBondContact O-CG1 3.32Å; L47-I51 PolarHBondContact O-N 3.15Å; L47-I51 VanDerWaalsContact O-N 3.09Å; L47-V130 HydrophobicContact CB-CG1 4.01Å; L47-V130 HydrophobicContact CD2-CG1 3.86Å; L47-V130 HydrophobicContact CG-CG1 4.03Å; L47-A162 HydrophobicContact CD2-CB 3.71Å; L47-V164 HydrophobicContact CB-CG2 4.11Å; L47-V164 HydrophobicContact CD1-CG1 4.42Å; L47-V164 HydrophobicContact CD2-CG1 3.87Å; L47-V164 HydrophobicContact CD2-CG2 4.34Å; L47-N306 WeakPolarHBondContact CD1-O 3.23Å; L47-N306 PolarHBondContact N-OD1 3.41Å; L47-L309 HydrophobicContact CD1-CB 3.97Å; L47-L309 HydrophobicContact CD1-CD2 4.19Å; L47-L309 HydrophobicContact CD1-CG 4.12Å; L47-L309 HydrophobicContact CD2-CD2 3.93Å
48A98.7Very high98.2Very high0 Ų016.9 Ų16.90%09%0.086CC..Hα-helixtrans-61.2-34.6176.700000111.6L41 G43 M44 N45 I51 A52 V130L41-A48 HydrophobicContact CD1-CB 4.31Å; L41-A48 HydrophobicContact CD2-CB 4.23Å; G43-A48 WeakPolarHBondContact O-CB 3Å; M44-A48 HydrophobicContact CE-CB 4.06Å; M44-A48 HydrophobicContact SD-CB 4.26Å; N45-A48 WeakPolarHBondContact O-CB 3.48Å; N45-A48 PolarHBondContact O-N 3.18Å; N45-A48 PolarHBondContact OD1-N 2.85Å; A48-I51 PolarHBondContact O-N 3.3Å; A48-A52 WeakPolarHBondContact O-CB 3.47Å; A48-A52 PolarHBondContact O-N 2.71Å; A48-V130 HydrophobicContact CB-CB 3.89Å; A48-V130 HydrophobicContact CB-CG1 3.95Å; A48-V130 HydrophobicContact CB-CG2 4.02Å
49A98.6Very high98.1Very high0 Ų012.3 Ų12.30%07%0.067CC..Hα-helixtrans-62.2-42.8175.900000112.6M44 N45 P46 L47 K53 N79 F80 L81M44-A49 HydrophobicContact CE-CB 3.81Å; M44-A49 VanDerWaalsContact CE-N 3.31Å; N45-A49 PolarHBondContact O-N 3.26Å; P46-A49 WeakPolarHBondContact O-CB 3.3Å; P46-A49 PolarHBondContact O-N 3.3Å; L47-A49 PolarHBondContact O-N 3.29Å; A49-K53 VanDerWaalsContact O-CB 3.3Å; A49-K53 WeakPolarHBondContact O-CB 3.36Å; A49-K53 PolarHBondContact O-N 3.41Å; A49-N79 WeakPolarHBondContact CB-OD1 3.47Å; A49-F80 HydrophobicContact CB-CD1 4.34Å; A49-F80 HydrophobicContact CB-CE1 3.8Å; A49-F80 HydrophobicContact CB-CZ 4.18Å; A49-L81 HydrophobicContact CB-CD1 3.82Å; A49-L81 HydrophobicContact CB-CG 4.17Å
50E98.7Very high98Very high27 Ų2712.5 Ų12.513%0.1267%0.068CC..Hα-helixtrans-66.2-41.9176.8-68.1-68.6171.100112P46 L47 K53 N54 F80 N306 P307P46-E50 PolarHBondContact O-N 2.87Å; L47-E50 PolarHBondContact O-N 2.74Å; E50-K53 IonicContact OE2-NZ 3.58Å; E50-K53 PolarHBondContact OE2-NZ 3.1Å; E50-N54 PolarHBondContact O-N 2.93Å; E50-N54 PolarHBondContact O-ND2 3.34Å; E50-F80 HydrophobicContact CG-CE1 4.19Å; E50-F80 WeakPolarHBondContact OE1-CE1 3.26Å; E50-N306 HydrophobicContact CG-CB 4.25Å; E50-P307 HydrophobicContact CG-CB 4.18Å
51I98.9Very high98Very high0 Ų014.6 Ų14.60%08%0.082CC..Hα-helixtrans-64.9-51.1176.3-63.8167.5000110.6L47 A48 K53 N54 I55 I128 V130 V313 S314 I317L47-I51 HydrophobicContact CD1-CD1 4.3Å; L47-I51 HydrophobicContact CG-CD1 4.06Å; L47-I51 WeakPolarHBondContact O-CG1 3.32Å; L47-I51 PolarHBondContact O-N 3.15Å; L47-I51 VanDerWaalsContact O-N 3.09Å; A48-I51 PolarHBondContact O-N 3.3Å; I51-K53 VanDerWaalsContact C-N 3.33Å; I51-K53 PolarHBondContact O-N 3.31Å; I51-N54 PolarHBondContact O-N 3.32Å; I51-I55 HydrophobicContact CG2-CD1 4.47Å; I51-I55 HydrophobicContact CG2-CG2 4.45Å; I51-I55 WeakPolarHBondContact O-CG1 3.48Å; I51-I55 PolarHBondContact O-N 2.88Å; I51-I55 VanDerWaalsContact O-N 3.08Å; I51-I128 HydrophobicContact CG2-CD1 3.89Å; I51-I128 HydrophobicContact CG2-CG2 4.48Å; I51-V130 HydrophobicContact CD1-CG2 3.97Å; I51-V313 HydrophobicContact CD1-CB 4.24Å; I51-V313 HydrophobicContact CD1-CG1 3.87Å; I51-V313 HydrophobicContact CG1-CB 4.39Å; I51-V313 HydrophobicContact CG1-CG1 4.25Å; I51-S314 WeakPolarHBondContact CA-OG 3.28Å; I51-I317 HydrophobicContact CG2-CD1 3.78Å
52A98.8Very high98Very high0 Ų015.3 Ų15.30%09%0.087CC..Hα-helixtrans-55.9-46.7179.600000111.4L41 M44 A48 N54 I55 V56 L63 L81L41-A52 HydrophobicContact CD2-CB 4.12Å; M44-A52 HydrophobicContact CE-CB 4.38Å; A48-A52 WeakPolarHBondContact O-CB 3.47Å; A48-A52 PolarHBondContact O-N 2.71Å; A52-N54 PolarHBondContact O-N 3.27Å; A52-I55 WeakPolarHBondContact O-CG1 3.49Å; A52-I55 PolarHBondContact O-N 2.95Å; A52-V56 VanDerWaalsContact O-CB 3.24Å; A52-V56 WeakPolarHBondContact O-CB 3.36Å; A52-V56 WeakPolarHBondContact O-CG2 3.28Å; A52-V56 PolarHBondContact O-N 3.03Å; A52-L63 HydrophobicContact CB-CD2 3.88Å; A52-L81 HydrophobicContact CB-CD1 4.4Å
53K98.7Very high98Very high55 Ų5515.1 Ų15.124%0.2399%0.086CC..Hα-helixtrans-53.3-51.9176.6177.4-160.473-1680111.6A49 E50 I51 L57 F80 L102A49-K53 VanDerWaalsContact O-CB 3.3Å; A49-K53 WeakPolarHBondContact O-CB 3.36Å; A49-K53 PolarHBondContact O-N 3.41Å; E50-K53 IonicContact OE2-NZ 3.58Å; E50-K53 PolarHBondContact OE2-NZ 3.1Å; I51-K53 VanDerWaalsContact C-N 3.33Å; I51-K53 PolarHBondContact O-N 3.31Å; K53-L57 HydrophobicContact CG-CD1 3.92Å; K53-L57 WeakPolarHBondContact O-CB 3.18Å; K53-L57 WeakPolarHBondContact O-CG 3.13Å; K53-L57 PolarHBondContact O-N 3.08Å; K53-F80 HydrophobicContact CB-CE2 4.41Å; K53-F80 HydrophobicContact CB-CZ 3.93Å; K53-F80 HydrophobicContact CD-CE2 4.21Å; K53-F80 HydrophobicContact CD-CZ 3.88Å; K53-F80 HydrophobicContact CG-CE2 4.48Å; K53-F80 HydrophobicContact CG-CZ 4.29Å; K53-L102 HydrophobicContact CB-CD1 4.03Å; K53-L102 HydrophobicContact CG-CD1 3.97Å
54N98.4Very high98.1Very high41 Ų4114.6 Ų14.622%0.2198%0.08CC..Hα-helixtrans-68.2-42.6-174.5-67.3-26.9000112.5E50 I51 A52 A58 S314E50-N54 PolarHBondContact O-N 2.93Å; E50-N54 PolarHBondContact O-ND2 3.34Å; I51-N54 PolarHBondContact O-N 3.32Å; A52-N54 PolarHBondContact O-N 3.27Å; N54-A58 WeakPolarHBondContact O-CB 3.26Å; N54-A58 PolarHBondContact O-N 3.17Å; N54-S314 VanDerWaalsContact CB-CB 3.42Å; N54-S314 VanDerWaalsContact CB-OG 3.31Å; N54-S314 WeakPolarHBondContact CB-OG 3.42Å; N54-S314 WeakPolarHBondContact ND2-CB 3.16Å; N54-S314 PolarHBondContact ND2-OG 2.9Å
55I98.4Very high98.1Very high1 Ų114.5 Ų14.51%0.0058%0.08CC..Hα-helixtrans-73-33-178.767.4-179.2000112.3V39 I51 A52 A58 G59 I60 L63 I128 I317V39-I55 HydrophobicContact CG1-CD1 4.01Å; I51-I55 HydrophobicContact CG2-CD1 4.47Å; I51-I55 HydrophobicContact CG2-CG2 4.45Å; I51-I55 WeakPolarHBondContact O-CG1 3.48Å; I51-I55 PolarHBondContact O-N 2.88Å; I51-I55 VanDerWaalsContact O-N 3.08Å; A52-I55 WeakPolarHBondContact O-CG1 3.49Å; A52-I55 PolarHBondContact O-N 2.95Å; I55-A58 PolarHBondContact O-N 3.07Å; I55-G59 PolarHBondContact O-N 3.45Å; I55-I60 HydrophobicContact CB-CD1 4.31Å; I55-I60 HydrophobicContact CB-CG2 4.48Å; I55-I60 HydrophobicContact CD1-CD1 4.01Å; I55-I60 HydrophobicContact CG1-CD1 3.91Å; I55-L63 HydrophobicContact CD1-CD1 4.11Å; I55-I128 HydrophobicContact CD1-CD1 3.84Å; I55-I317 HydrophobicContact CG2-CB 4.25Å; I55-I317 HydrophobicContact CG2-CD1 4.04Å; I55-I317 HydrophobicContact CG2-CG2 3.75Å
56V98.6Very high98.2Very high0 Ų014.3 Ų14.30%08%0.079CC..Hα-helixtrans-68.5-44.1174.3169.70000110.5A52 A58 G59 L63 T99 L102 N103 V106A52-V56 VanDerWaalsContact O-CB 3.24Å; A52-V56 WeakPolarHBondContact O-CB 3.36Å; A52-V56 WeakPolarHBondContact O-CG2 3.28Å; A52-V56 PolarHBondContact O-N 3.03Å; V56-A58 PolarHBondContact O-N 3.37Å; V56-G59 PolarHBondContact O-N 3.36Å; V56-G59 VanDerWaalsContact O-N 3.09Å; V56-L63 HydrophobicContact CG2-CB 4.39Å; V56-L63 HydrophobicContact CG2-CD2 3.75Å; V56-T99 HydrophobicContact CG2-CG2 3.99Å; V56-L102 HydrophobicContact CG1-CB 3.98Å; V56-N103 HydrophobicContact CG1-CB 3.73Å; V56-N103 WeakPolarHBondContact O-CB 3.44Å; V56-N103 PolarHBondContact O-ND2 3.2Å; V56-V106 HydrophobicContact CG1-CB 4.18Å; V56-V106 HydrophobicContact CG1-CG1 4.4Å; V56-V106 HydrophobicContact CG1-CG2 4.18Å; V56-V106 HydrophobicContact CG2-CG1 4.33Å; V56-V106 WeakPolarHBondContact O-CG2 3.29Å
57L97.2Very high98.1Very high79 Ų7914.3 Ų14.341%0.4148%0.078SC..Hα-helixtrans-63.1-32174.5-72.1172.4000112.4K53 G59 L102K53-L57 HydrophobicContact CG-CD1 3.92Å; K53-L57 WeakPolarHBondContact O-CB 3.18Å; K53-L57 WeakPolarHBondContact O-CG 3.13Å; K53-L57 PolarHBondContact O-N 3.08Å; L57-G59 PolarHBondContact O-N 2.91Å; L57-L102 HydrophobicContact CD2-CB 4.17Å; L57-L102 WeakPolarHBondContact CD2-O 3.26Å
58A96.2Very high97.9Very high3 Ų317.9 Ų17.93%0.02511%0.114CC..Hα-helixtrans-66.7-19.8175.500000113.7Q22 Q31 L34 N54 I55 V56 I318Q22-A58 PolarHBondContact NE2-O 3.21Å; Q22-A58 VanDerWaalsContact NE2-O 3.13Å; Q31-A58 PolarHBondContact NE2-O 3.27Å; Q31-A58 VanDerWaalsContact NE2-O 3.11Å; L34-A58 HydrophobicContact CD2-CB 4.47Å; N54-A58 WeakPolarHBondContact O-CB 3.26Å; N54-A58 PolarHBondContact O-N 3.17Å; I55-A58 PolarHBondContact O-N 3.07Å; V56-A58 PolarHBondContact O-N 3.37Å; A58-I318 HydrophobicContact CB-CD1 3.85Å; A58-I318 HydrophobicContact CB-CG1 4.01Å
59G96.1Very high97.7Very high1 Ų121 Ų211%0.0113%0.129CC..THydrogen-bonded Turntrans89.246.2175.600000114.2Y19 L34 K35 I55 V56 L57Y19-G59 WeakPolarHBondContact OH-CA 3.39Å; L34-G59 CarbonylContact C-O 3.51Å; K35-G59 PolarHBondContact N-O 2.94Å; I55-G59 PolarHBondContact O-N 3.45Å; V56-G59 PolarHBondContact O-N 3.36Å; V56-G59 VanDerWaalsContact O-N 3.09Å; L57-G59 PolarHBondContact O-N 2.91Å
60I97.9Very high97.6Very high4 Ų427.3 Ų27.32%0.02116%0.159CC..  trans-63.2163.7167.259.9173.4000112L34 V39 I55 L63 V106 I321L34-I60 HydrophobicContact CD2-CG2 4.22Å; L34-I60 VanDerWaalsContact O-CA 3.28Å; L34-I60 WeakPolarHBondContact O-CA 3.39Å; V39-I60 HydrophobicContact CB-CD1 3.99Å; V39-I60 HydrophobicContact CG2-CB 4.48Å; V39-I60 HydrophobicContact CG2-CD1 3.64Å; V39-I60 HydrophobicContact CG2-CG2 4.3Å; I55-I60 HydrophobicContact CB-CD1 4.31Å; I55-I60 HydrophobicContact CB-CG2 4.48Å; I55-I60 HydrophobicContact CD1-CD1 4.01Å; I55-I60 HydrophobicContact CG1-CD1 3.91Å; I60-L63 HydrophobicContact CD1-CB 4.14Å; I60-V106 HydrophobicContact CD1-CG1 4.48Å; I60-V106 HydrophobicContact CG1-CG1 3.82Å; I60-V106 VanDerWaalsContact O-CG2 3.25Å; I60-V106 WeakPolarHBondContact O-CG2 3.41Å; I60-I321 HydrophobicContact CG2-CD1 4.42Å
61S97.7Very high97.6Very high44 Ų4426.2 Ų26.231%0.30815%0.153SC..SBendtrans-65.6-52.5178.1-158.30000112.3L34 K35 S37 K107L34-S61 PolarHBondContact O-N 2.9Å; K35-S61 VanDerWaalsContact O-CA 3.3Å; K35-S61 WeakPolarHBondContact O-CA 3.04Å; K35-S61 WeakPolarHBondContact O-CB 3.49Å; K35-S61 PolarHBondContact O-OG 3.13Å; K35-S61 VanDerWaalsContact O-OG 3.12Å; S37-S61 WeakPolarHBondContact O-CA 3.28Å; S37-S61 WeakPolarHBondContact O-CB 3.35Å; S37-S61 PolarHBondContact O-N 2.92Å; S61-K107 PolarHBondContact O-N 2.87Å; S61-K107 VanDerWaalsContact O-N 3.12Å
62S98.6Very high97.4Very high15 Ų1529.2 Ų29.211%0.10517%0.172CC..EExtended strand (participates in β ladder)trans-155.7145.4-175.365.90000112V39 K107V39-S62 PolarHBondContact N-O 2.71Å; S62-K107 CarbonylContact C-O 3.56Å; S62-K107 WeakPolarHBondContact CA-O 3.32Å; S62-K107 WeakPolarHBondContact CB-O 3.43Å
63L98.9Very high97.2Very high0 Ų034.5 Ų34.50%020%0.2CC..EExtended strand (participates in β ladder)trans-115.4116.3170.2-178.461.3000109.3V39 L41 A52 I55 V56 I60 I65 T99 K107 V108 Q109V39-L63 HydrophobicContact CB-CD1 4.1Å; V39-L63 HydrophobicContact CG1-CD1 3.98Å; L41-L63 HydrophobicContact CB-CD1 3.87Å; L41-L63 HydrophobicContact CD2-CD1 4.5Å; A52-L63 HydrophobicContact CB-CD2 3.88Å; I55-L63 HydrophobicContact CD1-CD1 4.11Å; V56-L63 HydrophobicContact CG2-CB 4.39Å; V56-L63 HydrophobicContact CG2-CD2 3.75Å; I60-L63 HydrophobicContact CD1-CB 4.14Å; L63-I65 HydrophobicContact CD2-CD1 4.02Å; L63-I65 HydrophobicContact CD2-CG1 4.1Å; L63-I65 HydrophobicContact CG-CD1 4.33Å; L63-I65 HydrophobicContact CG-CG1 3.88Å; L63-T99 HydrophobicContact CD2-CG2 4.12Å; L63-K107 PolarHBondContact N-O 2.95Å; L63-V108 HydrophobicContact CB-CG2 4.48Å; L63-V108 WeakPolarHBondContact O-CA 3.38Å; L63-Q109 PolarHBondContact O-N 3.07Å
64T98.7Very high96.9Very high2 Ų236.2 Ų36.21%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-100.6126.4167.4-59.20000109.3V39 L40 L41 I66 Q109 Y124V39-T64 PolarHBondContact O-N 3.2Å; L40-T64 WeakPolarHBondContact CA-O 3.45Å; L40-T64 HydrophobicContact CD1-CG2 4Å; L41-T64 PolarHBondContact N-O 2.8Å; T64-I66 HydrophobicContact CG2-CG1 4.47Å; T64-Q109 CarbonylContact C-O 3.59Å; T64-Q109 WeakPolarHBondContact CA-O 3.07Å; T64-Q109 HydrophobicContact CG2-CG 4.26Å; T64-Q109 PolarHBondContact OG1-NE2 2.89Å; T64-Y124 WeakPolarHBondContact CB-OH 3.16Å; T64-Y124 WeakPolarHBondContact CG2-OH 3.49Å; T64-Y124 PolarHBondContact OG1-OH 3.15Å
65I98.8Very high96.8Very high0 Ų034.3 Ų34.30%020%0.202CC..EExtended strand (participates in β ladder)trans-110132.2-177.4-52.7175.9000109.1L41 M44 L63 A92 V95 I96 V108 Q109 S110 S111L41-I65 HydrophobicContact CD2-CG1 4.39Å; L41-I65 CarbonylContact O-C 3.5Å; L41-I65 WeakPolarHBondContact O-CA 3.36Å; M44-I65 HydrophobicContact CB-CG2 4Å; M44-I65 HydrophobicContact CG-CG2 4.01Å; M44-I65 HydrophobicContact SD-CD1 3.99Å; M44-I65 HydrophobicContact SD-CG2 3.74Å; L63-I65 HydrophobicContact CD2-CD1 4.02Å; L63-I65 HydrophobicContact CD2-CG1 4.1Å; L63-I65 HydrophobicContact CG-CD1 4.33Å; L63-I65 HydrophobicContact CG-CG1 3.88Å; I65-A92 HydrophobicContact CB-CB 4.4Å; I65-A92 HydrophobicContact CG2-CB 3.95Å; I65-V95 HydrophobicContact CD1-CG2 3.65Å; I65-I96 HydrophobicContact CD1-CD1 4.27Å; I65-V108 HydrophobicContact CD1-CG1 4.2Å; I65-Q109 PolarHBondContact N-O 2.72Å; I65-S110 CarbonylContact O-C 3.6Å; I65-S110 VanDerWaalsContact O-CA 3.31Å; I65-S110 WeakPolarHBondContact O-CA 3.28Å; I65-S111 PolarHBondContact O-N 2.85Å
66I97.7Very high96.6Very high10 Ų1035.6 Ų35.65%0.05121%0.209CC..EExtended strand (participates in β ladder)trans-127.7106.9176.6-53.5-168.6000108.8L40 L41 L42 G43 T64 S111 L113L40-I66 HydrophobicContact CD1-CD1 3.67Å; L40-I66 HydrophobicContact CD1-CG1 3.83Å; L41-I66 PolarHBondContact O-N 2.9Å; L42-I66 HydrophobicContact CD2-CB 3.69Å; L42-I66 HydrophobicContact CD2-CD1 3.9Å; L42-I66 HydrophobicContact CD2-CG1 4.02Å; L42-I66 HydrophobicContact CD2-CG2 4.26Å; G43-I66 PolarHBondContact N-O 2.89Å; T64-I66 HydrophobicContact CG2-CG1 4.47Å; I66-S111 WeakPolarHBondContact CG1-O 3.25Å; I66-L113 HydrophobicContact CD1-CD1 4.1Å; I66-L113 HydrophobicContact CG2-CB 3.96Å; I66-L113 HydrophobicContact CG2-CD1 4.44Å
67D97Very high96.3Very high19 Ų1943.2 Ų43.210%0.10224%0.244CC..  trans-152.7111172.6-168-14.9000109M44 Q69 R91 A92M44-D67 WeakPolarHBondContact CA-OD2 3.44Å; M44-D67 HydrophobicContact CB-CB 3.8Å; M44-D67 PolarHBondContact N-OD2 2.85Å; D67-Q69 WeakPolarHBondContact OD1-CB 3.45Å; D67-Q69 PolarHBondContact OD1-N 3.47Å; D67-R91 HydrophobicContact CB-CB 4.19Å; D67-R91 WeakPolarHBondContact OD2-CD 3.3Å; D67-A92 HydrophobicContact CB-CB 4.22Å; D67-A92 WeakPolarHBondContact O-CB 3.44Å; D67-A92 PolarHBondContact O-N 3.13Å
68G93.2Very high96.2Very high74 Ų7441.3 Ų41.376%0.76323%0.234SC*.  trans-88.4-1.7-179.400000114
69Q95.1Very high96.2Very high66 Ų6641.2 Ų41.231%0.30823%0.233SC..SBendtrans-68145.7174.9-64.6-169.9800110.3D67 S90 R91 Y137D67-Q69 WeakPolarHBondContact OD1-CB 3.45Å; D67-Q69 PolarHBondContact OD1-N 3.47Å; Q69-S90 CarbonylContact O-C 3.59Å; Q69-S90 WeakPolarHBondContact O-CA 3.34Å; Q69-R91 PolarHBondContact O-N 3.02Å; Q69-Y137 PolarHBondContact NE2-OH 2.84Å; Q69-Y137 VanDerWaalsContact NE2-OH 3.13Å
70Q97Very high96.2Very high133 Ų13345.2 Ų45.262%0.62125%0.251SS*.BIsolated β-bridgetrans-78.9144.8175.1-69.1-176.5-0.800110.5T72 L89Q70-T72 PolarHBondContact O-N 2.83Å; Q70-L89 CarbonylContact C-O 3.6Å; Q70-L89 VanDerWaalsContact CA-O 3.27Å; Q70-L89 WeakPolarHBondContact CA-O 3.4Å
71V97.8Very high96.3Very high3 Ų345.2 Ų45.22%0.01825%0.251CS..PPolyproline II helixtrans-61.8126.9170.9174.90000109.4D75 L76 I82 C86 G88 L89 R91 A94V71-D75 HydrophobicContact CG1-CB 4.22Å; V71-L76 HydrophobicContact CG1-CD2 3.78Å; V71-L76 HydrophobicContact CG1-CG 4.47Å; V71-I82 HydrophobicContact CG1-CG2 3.63Å; V71-I82 HydrophobicContact CG2-CD1 4.14Å; V71-I82 HydrophobicContact CG2-CG2 4.05Å; V71-C86 WeakPolarHBondContact CB-O 3.32Å; V71-G88 PolarHBondContact O-N 3.36Å; V71-L89 PolarHBondContact N-O 2.89Å; V71-R91 HydrophobicContact CG2-CG 4.09Å; V71-A94 HydrophobicContact CG2-CB 3.57Å
72T95.8Very high96.3Very high63 Ų6343.3 Ų43.339%0.38724%0.237SC..  trans-108.9171.8173.8650000111.1Q70 D74 D75 L76Q70-T72 PolarHBondContact O-N 2.83Å; T72-D74 VanDerWaalsContact C-N 3.28Å; T72-D74 PolarHBondContact O-N 2.74Å; T72-D75 PolarHBondContact N-OD2 3.31Å; T72-D75 WeakPolarHBondContact O-CB 3.16Å; T72-D75 PolarHBondContact O-N 3.11Å; T72-D75 PolarHBondContact OG1-N 3.05Å; T72-D75 PolarHBondContact OG1-OD2 3.44Å; T72-L76 PolarHBondContact O-N 2.86Å
73D94.7Very high96.2Very high112 Ų11243.4 Ų43.460%0.59924%0.237SC*.Hα-helixtrans-63.1-34.7175.1-67.7-49.4000112.4D75 L76 E77D73-D75 VanDerWaalsContact C-N 3.25Å; D73-D75 PolarHBondContact O-N 3.39Å; D73-L76 WeakPolarHBondContact O-CB 3.48Å; D73-L76 PolarHBondContact O-N 3Å; D73-E77 PolarHBondContact O-N 3.17Å
74D92.2Very high96Very high91 Ų9153 Ų5349%0.48727%0.274SS..Hα-helixtrans-60.5-37.1175.1-175.776.3000111.6T72 L76 E77 N78T72-D74 VanDerWaalsContact C-N 3.28Å; T72-D74 PolarHBondContact O-N 2.74Å; D74-L76 VanDerWaalsContact C-N 3.31Å; D74-L76 PolarHBondContact O-N 2.86Å; D74-E77 PolarHBondContact O-N 3.31Å; D74-N78 WeakPolarHBondContact O-CB 3.49Å; D74-N78 PolarHBondContact O-N 3.31Å; D74-N78 VanDerWaalsContact O-N 3.12Å; D74-N78 PolarHBondContact O-ND2 3.09Å; D74-N78 PolarHBondContact OD1-ND2 2.96Å; D74-N78 PolarHBondContact OD2-ND2 3.09Å
75D95.2Very high95.8Very high1 Ų159.8 Ų59.81%0.00531%0.31CS..Hα-helixtrans-64.6-35.5174.9-66.6-60.8000112.4V71 T72 D73 E77 N78 N79 I82 R91V71-D75 HydrophobicContact CG1-CB 4.22Å; T72-D75 PolarHBondContact N-OD2 3.31Å; T72-D75 WeakPolarHBondContact O-CB 3.16Å; T72-D75 PolarHBondContact O-N 3.11Å; T72-D75 PolarHBondContact OG1-N 3.05Å; T72-D75 PolarHBondContact OG1-OD2 3.44Å; D73-D75 VanDerWaalsContact C-N 3.25Å; D73-D75 PolarHBondContact O-N 3.39Å; D75-E77 VanDerWaalsContact C-N 3.26Å; D75-E77 PolarHBondContact O-N 3.35Å; D75-N78 PolarHBondContact O-N 3.09Å; D75-N79 WeakPolarHBondContact O-CA 3.42Å; D75-N79 VanDerWaalsContact O-CB 3.27Å; D75-N79 WeakPolarHBondContact O-CB 3.39Å; D75-N79 PolarHBondContact O-N 2.83Å; D75-I82 HydrophobicContact CB-CD1 3.84Å; D75-R91 IonicContact OD1-CZ 2.88Å; D75-R91 IonicContact OD1-NE 3.58Å; D75-R91 PolarHBondContact OD1-NE 3.43Å; D75-R91 IonicContact OD1-NH1 2.75Å; D75-R91 IonicContact OD1-NH2 2.79Å; D75-R91 PolarHBondContact OD1-NH2 3.11Å; D75-R91 IonicContact OD2-CZ 3.92Å; D75-R91 VanDerWaalsContact OD2-CZ 3.27Å; D75-R91 IonicContact OD2-NE 2.64Å; D75-R91 PolarHBondContact OD2-NE 3.39Å; D75-R91 IonicContact OD2-NH2 2.97Å; D75-R91 PolarHBondContact OD2-NH2 2.93Å
76L94.6Very high95.6Very high28 Ų2860.5 Ų60.515%0.14731%0.314CS..Hα-helixtrans-67.4-30.3178.6-59.3-170.8000112.7V71 T72 D73 D74 I82 P83 V87V71-L76 HydrophobicContact CG1-CD2 3.78Å; V71-L76 HydrophobicContact CG1-CG 4.47Å; T72-L76 PolarHBondContact O-N 2.86Å; D73-L76 WeakPolarHBondContact O-CB 3.48Å; D73-L76 PolarHBondContact O-N 3Å; D74-L76 VanDerWaalsContact C-N 3.31Å; D74-L76 PolarHBondContact O-N 2.86Å; L76-I82 HydrophobicContact CD2-CB 4.47Å; L76-I82 HydrophobicContact CD2-CG2 3.52Å; L76-P83 WeakPolarHBondContact CD2-O 3.45Å; L76-V87 HydrophobicContact CD1-CG2 3.58Å; L76-V87 HydrophobicContact CD2-CG2 4.38Å; L76-V87 HydrophobicContact CG-CG2 4.14Å
77E92.4Very high95.6Very high159 Ų15963.6 Ų63.674%0.74333%0.334SS*.Hα-helixtrans-79.9-34.5179.5-65.4-172.1171.700111.7D73 D74 D75D73-E77 PolarHBondContact O-N 3.17Å; D74-E77 PolarHBondContact O-N 3.31Å; D75-E77 VanDerWaalsContact C-N 3.26Å; D75-E77 PolarHBondContact O-N 3.35Å
78N94.4Very high95.5Very high39 Ų3964.3 Ų64.321%0.20935%0.346CS..Hα-helixtrans-109.8-22.5-167.8-61.6-52.1000114.5P46 D74 D75 P303P46-N78 HydrophobicContact CB-CB 4.28Å; P46-N78 WeakPolarHBondContact CB-O 3.16Å; P46-N78 HydrophobicContact CG-CB 3.5Å; P46-N78 VanDerWaalsContact CG-CB 3.5Å; D74-N78 WeakPolarHBondContact O-CB 3.49Å; D74-N78 PolarHBondContact O-N 3.31Å; D74-N78 VanDerWaalsContact O-N 3.12Å; D74-N78 PolarHBondContact O-ND2 3.09Å; D74-N78 PolarHBondContact OD1-ND2 2.96Å; D74-N78 PolarHBondContact OD2-ND2 3.09Å; D75-N78 PolarHBondContact O-N 3.09Å; N78-P303 VanDerWaalsContact OD1-CG 3.28Å; N78-P303 WeakPolarHBondContact OD1-CG 3.35Å
79N96.9Very high95.6Very high1 Ų165 Ų651%0.00533%0.332CS..  trans-110.598.6-180-173.1-19.7000111.5M44 P46 A49 D75 L81 I82M44-N79 PolarHBondContact O-ND2 2.94Å; P46-N79 HydrophobicContact CG-CB 4.28Å; A49-N79 WeakPolarHBondContact CB-OD1 3.47Å; D75-N79 WeakPolarHBondContact O-CA 3.42Å; D75-N79 VanDerWaalsContact O-CB 3.27Å; D75-N79 WeakPolarHBondContact O-CB 3.39Å; D75-N79 PolarHBondContact O-N 2.83Å; N79-L81 PolarHBondContact O-N 3.2Å; N79-L81 VanDerWaalsContact O-N 3.08Å; N79-L81 WeakPolarHBondContact OD1-CB 3.48Å; N79-L81 PolarHBondContact OD1-N 3.31Å; N79-L81 VanDerWaalsContact OD1-N 3.09Å; N79-I82 HydrophobicContact CB-CD1 3.87Å; N79-I82 HydrophobicContact CB-CG1 4.16Å; N79-I82 WeakPolarHBondContact ND2-CD1 3.45Å; N79-I82 PolarHBondContact O-N 3.35Å
80F96.9Very high95.7Very high86 Ų8663.2 Ų63.238%0.37733%0.326SS..THydrogen-bonded Turntrans-62.6-18.4-177.167.3-89.5000114.6A49 E50 K53 I82 R98A49-F80 HydrophobicContact CB-CD1 4.34Å; A49-F80 HydrophobicContact CB-CE1 3.8Å; A49-F80 HydrophobicContact CB-CZ 4.18Å; E50-F80 HydrophobicContact CG-CE1 4.19Å; E50-F80 WeakPolarHBondContact OE1-CE1 3.26Å; K53-F80 HydrophobicContact CB-CE2 4.41Å; K53-F80 HydrophobicContact CB-CZ 3.93Å; K53-F80 HydrophobicContact CD-CE2 4.21Å; K53-F80 HydrophobicContact CD-CZ 3.88Å; K53-F80 HydrophobicContact CG-CE2 4.48Å; K53-F80 HydrophobicContact CG-CZ 4.29Å; F80-I82 VanDerWaalsContact C-N 3.3Å; F80-R98 PolarHBondContact O-NH1 3.45Å
81L98.1Very high95.7Very high4 Ų457.8 Ų57.82%0.02130%0.3CS..THydrogen-bonded Turntrans-79.7-11.6176.7-67.8175.2000113M44 A49 A52 N79 P83 V95 R98 L102M44-L81 HydrophobicContact CE-CD1 3.98Å; A49-L81 HydrophobicContact CB-CD1 3.82Å; A49-L81 HydrophobicContact CB-CG 4.17Å; A52-L81 HydrophobicContact CB-CD1 4.4Å; N79-L81 PolarHBondContact O-N 3.2Å; N79-L81 VanDerWaalsContact O-N 3.08Å; N79-L81 WeakPolarHBondContact OD1-CB 3.48Å; N79-L81 PolarHBondContact OD1-N 3.31Å; N79-L81 VanDerWaalsContact OD1-N 3.09Å; L81-P83 WeakPolarHBondContact O-CD 3.21Å; L81-V95 HydrophobicContact CB-CB 3.98Å; L81-V95 HydrophobicContact CB-CG1 3.77Å; L81-R98 HydrophobicContact CD2-CB 4.16Å; L81-R98 WeakPolarHBondContact O-CD 3.32Å; L81-L102 HydrophobicContact CD2-CD1 4.21Å
82I97.9Very high95.7Very high3 Ų357.8 Ų57.82%0.01530%0.3CS..SBendtrans-91.5122.7179.1-63.8176.2000110V71 D75 L76 N79 F80 C86 R91 A94 V95 R98V71-I82 HydrophobicContact CG1-CG2 3.63Å; V71-I82 HydrophobicContact CG2-CD1 4.14Å; V71-I82 HydrophobicContact CG2-CG2 4.05Å; D75-I82 HydrophobicContact CB-CD1 3.84Å; L76-I82 HydrophobicContact CD2-CB 4.47Å; L76-I82 HydrophobicContact CD2-CG2 3.52Å; N79-I82 HydrophobicContact CB-CD1 3.87Å; N79-I82 HydrophobicContact CB-CG1 4.16Å; N79-I82 WeakPolarHBondContact ND2-CD1 3.45Å; N79-I82 PolarHBondContact O-N 3.35Å; F80-I82 VanDerWaalsContact C-N 3.3Å; I82-C86 HydrophobicContact CG2-CB 4.27Å; I82-R91 HydrophobicContact CD1-CG 4.44Å; I82-A94 HydrophobicContact CG1-CB 4.44Å; I82-A94 HydrophobicContact CG2-CB 4.22Å; I82-V95 HydrophobicContact CD1-CG1 4.3Å; I82-V95 HydrophobicContact CG1-CG1 3.49Å; I82-V95 VanDerWaalsContact CG1-CG1 3.49Å; I82-R98 PolarHBondContact O-NH1 2.86Å
83P96.5Very high95.8Very high18 Ų1858.8 Ų58.812%0.11730%0.303CS..  trans-66.5146.6169.5-1932.4000113L76 L81 D85 C86 A94 R98L76-P83 WeakPolarHBondContact CD2-O 3.45Å; L81-P83 WeakPolarHBondContact O-CD 3.21Å; P83-D85 WeakPolarHBondContact CB-OD1 3.46Å; P83-D85 PolarHBondContact O-N 2.93Å; P83-D85 VanDerWaalsContact O-N 3.15Å; P83-C86 WeakPolarHBondContact O-CB 3.31Å; P83-C86 PolarHBondContact O-N 2.79Å; P83-C86 VanDerWaalsContact O-N 3.14Å; P83-A94 WeakPolarHBondContact CD-O 3.41Å; P83-R98 HydrophobicContact CG-CG 4.38Å
84R94.8Very high96Very high202 Ų20253.7 Ų53.776%0.76228%0.277SS*.THydrogen-bonded Turntrans-65.2-19-175.1-68.6-176.6-179.9-100.4-1.7113.7
85D95.3Very high96.3Very high143 Ų14349.3 Ų49.377%0.76525%0.253SS*.THydrogen-bonded Turntrans-94.98-179.757.6-33.9000113.5P83P83-D85 WeakPolarHBondContact CB-OD1 3.46Å; P83-D85 PolarHBondContact O-N 2.93Å; P83-D85 VanDerWaalsContact O-N 3.15Å
86C95Very high96.4Very high15 Ų1551 Ų5110%0.10126%0.262CS..  trans-99.510.2-176.7-68.40000115.3V71 I82 P83 G88 L89 A94V71-C86 WeakPolarHBondContact CB-O 3.32Å; I82-C86 HydrophobicContact CG2-CB 4.27Å; P83-C86 WeakPolarHBondContact O-CB 3.31Å; P83-C86 PolarHBondContact O-N 2.79Å; P83-C86 VanDerWaalsContact O-N 3.14Å; C86-G88 PolarHBondContact O-N 2.99Å; C86-L89 HydrophobicContact CB-CD1 3.98Å; C86-L89 WeakPolarHBondContact O-CB 3.42Å; C86-L89 PolarHBondContact O-N 2.96Å; C86-L89 VanDerWaalsContact O-N 3.09Å; C86-A94 HydrophobicContact CB-CB 3.77Å
87V96.1Very high96.6Very high75 Ų7553.3 Ų53.346%0.45529%0.285SS..THydrogen-bonded Turntrans-54.4133.3177.4-179.40000110.6L76 L89L76-V87 HydrophobicContact CD1-CG2 3.58Å; L76-V87 HydrophobicContact CD2-CG2 4.38Å; L76-V87 HydrophobicContact CG-CG2 4.14Å; V87-L89 VanDerWaalsContact C-N 3.31Å; V87-L89 PolarHBondContact O-N 2.82Å
88G95.1Very high96.9Very high35 Ų3550.4 Ų50.436%0.36127%0.267SS..THydrogen-bonded Turntrans84.5-11.7-178.300000115.7V71 C86V71-G88 PolarHBondContact O-N 3.36Å; C86-G88 PolarHBondContact O-N 2.99Å
89L95.3Very high97.1Very high89 Ų8948.5 Ų48.547%0.46626%0.257SS..SBendtrans-74.3163.7167.7-60.7-177.7000110.6Q70 V71 C86 V87Q70-L89 CarbonylContact C-O 3.6Å; Q70-L89 VanDerWaalsContact CA-O 3.27Å; Q70-L89 WeakPolarHBondContact CA-O 3.4Å; V71-L89 PolarHBondContact N-O 2.89Å; C86-L89 HydrophobicContact CB-CD1 3.98Å; C86-L89 WeakPolarHBondContact O-CB 3.42Å; C86-L89 PolarHBondContact O-N 2.96Å; C86-L89 VanDerWaalsContact O-N 3.09Å; V87-L89 VanDerWaalsContact C-N 3.31Å; V87-L89 PolarHBondContact O-N 2.82Å
90S96.9Very high97.2Very high27 Ų2751.1 Ų51.119%0.18927%0.269CS..BIsolated β-bridgetrans-64.2141.7169.687.20000109.8Q69 A92 D93 A94Q69-S90 CarbonylContact O-C 3.59Å; Q69-S90 WeakPolarHBondContact O-CA 3.34Å; S90-A92 PolarHBondContact O-N 3.25Å; S90-D93 PolarHBondContact O-N 3.48Å; S90-D93 WeakPolarHBondContact OG-CB 3.39Å; S90-D93 PolarHBondContact OG-N 3.38Å; S90-D93 PolarHBondContact OG-OD2 2.79Å; S90-A94 WeakPolarHBondContact O-CB 3.07Å; S90-A94 PolarHBondContact O-N 3.01Å
91R98Very high97.2Very high20 Ų2051.1 Ų51.18%0.07528%0.28CS..Hα-helixtrans-58.1-36.4176.1-73.8-178.5179.4167.6-1.7111.3M44 D67 Q69 V71 D75 I82 V95M44-R91 HydrophobicContact CB-CB 4.14Å; D67-R91 HydrophobicContact CB-CB 4.19Å; D67-R91 WeakPolarHBondContact OD2-CD 3.3Å; Q69-R91 PolarHBondContact O-N 3.02Å; V71-R91 HydrophobicContact CG2-CG 4.09Å; D75-R91 IonicContact OD1-CZ 2.88Å; D75-R91 IonicContact OD1-NE 3.58Å; D75-R91 PolarHBondContact OD1-NE 3.43Å; D75-R91 IonicContact OD1-NH1 2.75Å; D75-R91 IonicContact OD1-NH2 2.79Å; D75-R91 PolarHBondContact OD1-NH2 3.11Å; D75-R91 IonicContact OD2-CZ 3.92Å; D75-R91 VanDerWaalsContact OD2-CZ 3.27Å; D75-R91 IonicContact OD2-NE 2.64Å; D75-R91 PolarHBondContact OD2-NE 3.39Å; D75-R91 IonicContact OD2-NH2 2.97Å; D75-R91 PolarHBondContact OD2-NH2 2.93Å; I82-R91 HydrophobicContact CD1-CG 4.44Å; R91-V95 PolarHBondContact O-N 2.8Å
92A98.2Very high97.2Very high2 Ų253.6 Ų53.62%0.01729%0.293CS..Hα-helixtrans-62.9-44.2176.700000112.7I65 D67 S90 V95 I96I65-A92 HydrophobicContact CB-CB 4.4Å; I65-A92 HydrophobicContact CG2-CB 3.95Å; D67-A92 HydrophobicContact CB-CB 4.22Å; D67-A92 WeakPolarHBondContact O-CB 3.44Å; D67-A92 PolarHBondContact O-N 3.13Å; S90-A92 PolarHBondContact O-N 3.25Å; A92-V95 WeakPolarHBondContact O-CG2 3.39Å; A92-I96 VanDerWaalsContact O-CD1 3.26Å; A92-I96 WeakPolarHBondContact O-CD1 3.32Å; A92-I96 VanDerWaalsContact O-CG1 3.26Å; A92-I96 WeakPolarHBondContact O-CG1 3.4Å
93D97.9Very high97.1Very high84 Ų8453.7 Ų53.745%0.44929%0.293SS..Hα-helixtrans-71.9-39.8180-64.4-41.1000111.9S90 V95 I96 S110S90-D93 PolarHBondContact O-N 3.48Å; S90-D93 WeakPolarHBondContact OG-CB 3.39Å; S90-D93 PolarHBondContact OG-N 3.38Å; S90-D93 PolarHBondContact OG-OD2 2.79Å; D93-V95 PolarHBondContact O-N 3Å; D93-I96 WeakPolarHBondContact O-CG1 3.45Å; D93-I96 PolarHBondContact O-N 3.22Å; D93-S110 WeakPolarHBondContact OD1-CB 3.49Å; D93-S110 PolarHBondContact OD1-OG 3.36Å
94A98Very high97.1Very high5 Ų557.9 Ų57.94%0.04132%0.32CS..Hα-helixtrans-60.4-32.4-175.800000113.1V71 I82 P83 C86 S90V71-A94 HydrophobicContact CG2-CB 3.57Å; I82-A94 HydrophobicContact CG1-CB 4.44Å; I82-A94 HydrophobicContact CG2-CB 4.22Å; P83-A94 WeakPolarHBondContact CD-O 3.41Å; C86-A94 HydrophobicContact CB-CB 3.77Å; S90-A94 WeakPolarHBondContact O-CB 3.07Å; S90-A94 PolarHBondContact O-N 3.01Å
95V98.5Very high97Very high0 Ų052 Ų520%030%0.303CS..THydrogen-bonded Turntrans-86.7-13.8-176.6-60.70000114.5M44 I65 L81 I82 R91 A92 D93 A97 R98 T99M44-V95 HydrophobicContact CE-CG1 4.31Å; M44-V95 HydrophobicContact CG-CB 4.38Å; M44-V95 HydrophobicContact CG-CG1 3.82Å; M44-V95 HydrophobicContact CG-CG2 3.72Å; M44-V95 HydrophobicContact SD-CG2 3.96Å; I65-V95 HydrophobicContact CD1-CG2 3.65Å; L81-V95 HydrophobicContact CB-CB 3.98Å; L81-V95 HydrophobicContact CB-CG1 3.77Å; I82-V95 HydrophobicContact CD1-CG1 4.3Å; I82-V95 HydrophobicContact CG1-CG1 3.49Å; I82-V95 VanDerWaalsContact CG1-CG1 3.49Å; R91-V95 PolarHBondContact O-N 2.8Å; A92-V95 WeakPolarHBondContact O-CG2 3.39Å; D93-V95 PolarHBondContact O-N 3Å; V95-A97 PolarHBondContact O-N 2.66Å; V95-R98 PolarHBondContact O-N 2.92Å; V95-T99 VanDerWaalsContact O-CB 3.29Å; V95-T99 WeakPolarHBondContact O-CB 3.39Å; V95-T99 PolarHBondContact O-N 2.89Å; V95-T99 PolarHBondContact O-OG1 3.48Å
96I98.5Very high97.2Very high37 Ų3745.2 Ų45.219%0.1927%0.267CS..Hα-helixtrans-57.3-52-168.1-61.7-55.5000112.1I65 A92 D93 R98 T99 Q100 V108 Q109 S110I65-I96 HydrophobicContact CD1-CD1 4.27Å; A92-I96 VanDerWaalsContact O-CD1 3.26Å; A92-I96 WeakPolarHBondContact O-CD1 3.32Å; A92-I96 VanDerWaalsContact O-CG1 3.26Å; A92-I96 WeakPolarHBondContact O-CG1 3.4Å; D93-I96 WeakPolarHBondContact O-CG1 3.45Å; D93-I96 PolarHBondContact O-N 3.22Å; I96-R98 PolarHBondContact O-N 2.83Å; I96-T99 PolarHBondContact O-N 3.47Å; I96-Q100 WeakPolarHBondContact O-CB 3.17Å; I96-Q100 PolarHBondContact O-N 3.18Å; I96-V108 HydrophobicContact CD1-CG1 3.99Å; I96-Q109 VanDerWaalsContact CD1-C 3.42Å; I96-S110 VanDerWaalsContact CD1-N 3.33Å
97A98Very high97.3Very high76 Ų7650.4 Ų50.463%0.62829%0.287SS*.Hα-helixtrans-61.7-46.6-174.500000112.4V95 S101V95-A97 PolarHBondContact O-N 2.66Å; A97-S101 PolarHBondContact O-N 2.84Å; A97-S101 VanDerWaalsContact O-N 3.09Å
98R98.4Very high97.4Very high97 Ų9747.3 Ų47.337%0.36627%0.269SS..Hα-helixtrans-68-40.8178.6-73.7-169.3177.6169.46111.7F80 L81 I82 P83 V95 I96 S101 L102F80-R98 PolarHBondContact O-NH1 3.45Å; L81-R98 HydrophobicContact CD2-CB 4.16Å; L81-R98 WeakPolarHBondContact O-CD 3.32Å; I82-R98 PolarHBondContact O-NH1 2.86Å; P83-R98 HydrophobicContact CG-CG 4.38Å; V95-R98 PolarHBondContact O-N 2.92Å; I96-R98 PolarHBondContact O-N 2.83Å; R98-S101 PolarHBondContact O-N 3.19Å; R98-S101 PolarHBondContact O-OG 2.92Å; R98-L102 PolarHBondContact O-N 2.85Å
99T98.7Very high97.6Very high0 Ų048.8 Ų48.80%027%0.266CS..Hα-helixtrans-65.3-44.8178.5-50.80000111.4V56 L63 V95 I96 S101 L102 V108V56-T99 HydrophobicContact CG2-CG2 3.99Å; L63-T99 HydrophobicContact CD2-CG2 4.12Å; V95-T99 VanDerWaalsContact O-CB 3.29Å; V95-T99 WeakPolarHBondContact O-CB 3.39Å; V95-T99 PolarHBondContact O-N 2.89Å; V95-T99 PolarHBondContact O-OG1 3.48Å; I96-T99 PolarHBondContact O-N 3.47Å; T99-S101 VanDerWaalsContact C-N 3.25Å; T99-S101 PolarHBondContact O-N 3.37Å; T99-L102 WeakPolarHBondContact O-CB 3.38Å; T99-L102 PolarHBondContact O-N 2.94Å; T99-L102 VanDerWaalsContact O-N 3.15Å; T99-V108 HydrophobicContact CG2-CG1 3.89Å; T99-V108 HydrophobicContact CG2-CG2 4.08Å
100Q98.5Very high97.7Very high56 Ų5646.4 Ų46.426%0.26226%0.257SS..Hα-helixtrans-60.3-34.6175.3-176.159.978.900112.3I96 L102 N103 V106 V108I96-Q100 WeakPolarHBondContact O-CB 3.17Å; I96-Q100 PolarHBondContact O-N 3.18Å; Q100-L102 VanDerWaalsContact C-N 3.26Å; Q100-L102 PolarHBondContact O-N 3.35Å; Q100-N103 PolarHBondContact NE2-O 3.27Å; Q100-N103 CarbonylContact O-C 3.51Å; Q100-N103 PolarHBondContact O-N 3.24Å; Q100-V106 PolarHBondContact NE2-O 2.83Å; Q100-V106 PolarHBondContact OE1-O 2.84Å; Q100-V108 HydrophobicContact CB-CB 4.28Å; Q100-V108 HydrophobicContact CB-CG2 4.4Å
101S98Very high97.7Very high85 Ų8547.1 Ų47.159%0.59426%0.262SS*.Hα-helixtrans-69.2-20.5178.178.90000114.2A97 R98 T99 N103A97-S101 PolarHBondContact O-N 2.84Å; A97-S101 VanDerWaalsContact O-N 3.09Å; R98-S101 PolarHBondContact O-N 3.19Å; R98-S101 PolarHBondContact O-OG 2.92Å; T99-S101 VanDerWaalsContact C-N 3.25Å; T99-S101 PolarHBondContact O-N 3.37Å; S101-N103 VanDerWaalsContact C-N 3.3Å; S101-N103 PolarHBondContact O-N 3.05Å
102L97.7Very high97.5Very high56 Ų5654 Ų5429%0.29330%0.295SS..Hα-helixtrans-65.6-35.8176.6-63.5177.6000111.8K53 V56 L57 L81 R98 T99 Q100K53-L102 HydrophobicContact CB-CD1 4.03Å; K53-L102 HydrophobicContact CG-CD1 3.97Å; V56-L102 HydrophobicContact CG1-CB 3.98Å; L57-L102 HydrophobicContact CD2-CB 4.17Å; L57-L102 WeakPolarHBondContact CD2-O 3.26Å; L81-L102 HydrophobicContact CD2-CD1 4.21Å; R98-L102 PolarHBondContact O-N 2.85Å; T99-L102 WeakPolarHBondContact O-CB 3.38Å; T99-L102 PolarHBondContact O-N 2.94Å; T99-L102 VanDerWaalsContact O-N 3.15Å; Q100-L102 VanDerWaalsContact C-N 3.26Å; Q100-L102 PolarHBondContact O-N 3.35Å
103N96.5Very high97Very high5 Ų556 Ų563%0.02731%0.305CS..  trans-154102.3178-169.7-17.3000110.6Y19 V56 Q100 S101 M105 V106Y19-N103 PolarHBondContact OH-ND2 3.35Å; V56-N103 HydrophobicContact CG1-CB 3.73Å; V56-N103 WeakPolarHBondContact O-CB 3.44Å; V56-N103 PolarHBondContact O-ND2 3.2Å; Q100-N103 PolarHBondContact NE2-O 3.27Å; Q100-N103 CarbonylContact O-C 3.51Å; Q100-N103 PolarHBondContact O-N 3.24Å; S101-N103 VanDerWaalsContact C-N 3.3Å; S101-N103 PolarHBondContact O-N 3.05Å; N103-M105 PolarHBondContact O-N 2.86Å; N103-M105 VanDerWaalsContact O-N 3.09Å; N103-M105 WeakPolarHBondContact OD1-CB 3.4Å; N103-M105 PolarHBondContact OD1-N 2.84Å; N103-M105 VanDerWaalsContact OD1-N 3.11Å; N103-V106 HydrophobicContact CB-CB 4.47Å; N103-V106 HydrophobicContact CB-CG2 3.89Å; N103-V106 PolarHBondContact O-N 3.47Å; N103-V106 VanDerWaalsContact O-N 3.09Å
104P95.2Very high96.5Very high106 Ų10654.2 Ų54.269%0.68831%0.307SS*.THydrogen-bonded Turntrans-60.3-18.5179.7-25.835.5000114.9V106P104-V106 VanDerWaalsContact C-N 3.34Å
105M94.4Very high95.9Very high79 Ų7962.1 Ų62.139%0.38935%0.348SS..THydrogen-bonded Turntrans-81.4-13.6179.3-58.1-59.9-173.200113E14 E15 L18 N103E14-M105 HydrophobicContact CB-CE 4.31Å; E15-M105 HydrophobicContact CG-CE 4.32Å; E15-M105 HydrophobicContact CG-CG 4.15Å; E15-M105 HydrophobicContact CG-SD 4.3Å; L18-M105 HydrophobicContact CD2-CG 4.26Å; N103-M105 PolarHBondContact O-N 2.86Å; N103-M105 VanDerWaalsContact O-N 3.09Å; N103-M105 WeakPolarHBondContact OD1-CB 3.4Å; N103-M105 PolarHBondContact OD1-N 2.84Å; N103-M105 VanDerWaalsContact OD1-N 3.11Å
106V97.6Very high95.5Very high1 Ų166.5 Ų66.51%0.00637%0.372CS..SBendtrans-96.1126.4178.4-178.40000109.3V56 I60 Q100 N103 P104 V108V56-V106 HydrophobicContact CG1-CB 4.18Å; V56-V106 HydrophobicContact CG1-CG1 4.4Å; V56-V106 HydrophobicContact CG1-CG2 4.18Å; V56-V106 HydrophobicContact CG2-CG1 4.33Å; V56-V106 WeakPolarHBondContact O-CG2 3.29Å; I60-V106 HydrophobicContact CD1-CG1 4.48Å; I60-V106 HydrophobicContact CG1-CG1 3.82Å; I60-V106 VanDerWaalsContact O-CG2 3.25Å; I60-V106 WeakPolarHBondContact O-CG2 3.41Å; Q100-V106 PolarHBondContact NE2-O 2.83Å; Q100-V106 PolarHBondContact OE1-O 2.84Å; N103-V106 HydrophobicContact CB-CB 4.47Å; N103-V106 HydrophobicContact CB-CG2 3.89Å; N103-V106 PolarHBondContact O-N 3.47Å; N103-V106 VanDerWaalsContact O-N 3.09Å; P104-V106 VanDerWaalsContact C-N 3.34Å; V106-V108 HydrophobicContact CG1-CG2 4.26Å; V106-V108 PolarHBondContact O-N 2.85Å
107K98.4Very high95.2Very high124 Ų12466.5 Ų66.554%0.53937%0.372SS..EExtended strand (participates in β ladder)trans-76.2114.7174.1-175.9-175.3178.3-164.10110.4S61 S62 L63S61-K107 PolarHBondContact O-N 2.87Å; S61-K107 VanDerWaalsContact O-N 3.12Å; S62-K107 CarbonylContact C-O 3.56Å; S62-K107 WeakPolarHBondContact CA-O 3.32Å; S62-K107 WeakPolarHBondContact CB-O 3.43Å; L63-K107 PolarHBondContact N-O 2.95Å
108V98.8Very high94.8Very high10 Ų1067 Ų676%0.06136%0.36CS..EExtended strand (participates in β ladder)trans-108.6130.6175.9-171.20000110.3L63 I65 I96 T99 Q100 V106L63-V108 HydrophobicContact CB-CG2 4.48Å; L63-V108 WeakPolarHBondContact O-CA 3.38Å; I65-V108 HydrophobicContact CD1-CG1 4.2Å; I96-V108 HydrophobicContact CD1-CG1 3.99Å; T99-V108 HydrophobicContact CG2-CG1 3.89Å; T99-V108 HydrophobicContact CG2-CG2 4.08Å; Q100-V108 HydrophobicContact CB-CB 4.28Å; Q100-V108 HydrophobicContact CB-CG2 4.4Å; V106-V108 HydrophobicContact CG1-CG2 4.26Å; V106-V108 PolarHBondContact O-N 2.85Å
109Q98.5Very high94.4Very high65 Ų6566.4 Ų66.430%0.30436%0.364SS..EExtended strand (participates in β ladder)trans-147.8151.5179.664.1-177.125.500111.7L63 T64 I65 I96L63-Q109 PolarHBondContact O-N 3.07Å; T64-Q109 CarbonylContact C-O 3.59Å; T64-Q109 WeakPolarHBondContact CA-O 3.07Å; T64-Q109 HydrophobicContact CG2-CG 4.26Å; T64-Q109 PolarHBondContact OG1-NE2 2.89Å; I65-Q109 PolarHBondContact N-O 2.72Å; I96-Q109 VanDerWaalsContact CD1-C 3.42Å
110S97.9Very high94.2Very high39 Ų3968 Ų6827%0.27337%0.371SS..EExtended strand (participates in β ladder)trans-90.2157.9167.353.20000110.2I65 D93 I96I65-S110 CarbonylContact O-C 3.6Å; I65-S110 VanDerWaalsContact O-CA 3.31Å; I65-S110 WeakPolarHBondContact O-CA 3.28Å; D93-S110 WeakPolarHBondContact OD1-CB 3.49Å; D93-S110 PolarHBondContact OD1-OG 3.36Å; I96-S110 VanDerWaalsContact CD1-N 3.33Å
111S96.3Very high94.1Very high43 Ų4365.3 Ų65.330%0.30136%0.359SS..  trans-155.4162.1174.1178.70000110.2I65 I66 K120I65-S111 PolarHBondContact O-N 2.85Å; I66-S111 WeakPolarHBondContact CG1-O 3.25Å; S111-K120 PolarHBondContact OG-NZ 3.37Å
112E93.8Very high93.9Very high164 Ų16465.5 Ų65.577%0.76635%0.35SS*.  trans-88.6155.1165.8-62.1-177.817700111.1K120E112-K120 PolarHBondContact O-NZ 2.69Å
113L87.3Confident93.8Very high43 Ų4368.5 Ų68.523%0.22536%0.363CS..  trans-65.3-41.2-178.3-16863.4000112.1L42 I66 L117 K120 F121L42-L113 HydrophobicContact CD1-CD1 4.42Å; L42-L113 HydrophobicContact CD2-CD1 3.81Å; I66-L113 HydrophobicContact CD1-CD1 4.1Å; I66-L113 HydrophobicContact CG2-CB 3.96Å; I66-L113 HydrophobicContact CG2-CD1 4.44Å; L113-L117 HydrophobicContact CD1-CD2 3.76Å; L113-L117 HydrophobicContact CD2-CD2 3.79Å; L113-L117 HydrophobicContact CG-CD2 3.43Å; L113-L117 VanDerWaalsContact CG-CD2 3.43Å; L113-K120 WeakPolarHBondContact O-CD 3.3Å; L113-F121 HydrophobicContact CD1-CE1 4.28Å
114G87Confident93.9Very high48 Ų4868.9 Ų68.950%0.49536%0.364SS..  trans67.5177.6-174.200000113.3
115D86.8Confident94Very high170 Ų17067.7 Ų67.791%0.90935%0.351SS*.SBendtrans-88.7-31.1-177.1-61.6-39.4000113.1L117D115-L117 PolarHBondContact O-N 3.21Å; D115-L117 VanDerWaalsContact O-N 3.1Å
116N89.6Confident94.2Very high93 Ų9364.1 Ų64.150%0.49733%0.334SS..  trans-90.471.5-175.6-164.4-5.7000111.9K118 D119 K120N116-K118 PolarHBondContact O-N 2.83Å; N116-D119 VanDerWaalsContact ND2-CG 3.32Å; N116-D119 PolarHBondContact ND2-OD2 3.39Å; N116-K120 WeakPolarHBondContact O-CB 3.34Å; N116-K120 PolarHBondContact O-N 3.47Å
117L91.1Very high94.2Very high37 Ų3764 Ų6419%0.19433%0.334CS..Hα-helixtrans-61.1-41-174.7-60.5-178.5000112.9L113 D115 K120 F121 I147L113-L117 HydrophobicContact CD1-CD2 3.76Å; L113-L117 HydrophobicContact CD2-CD2 3.79Å; L113-L117 HydrophobicContact CG-CD2 3.43Å; L113-L117 VanDerWaalsContact CG-CD2 3.43Å; D115-L117 PolarHBondContact O-N 3.21Å; D115-L117 VanDerWaalsContact O-N 3.1Å; L117-K120 PolarHBondContact O-N 2.54Å; L117-F121 HydrophobicContact CB-CD2 4.38Å; L117-F121 HydrophobicContact CB-CE2 3.94Å; L117-F121 HydrophobicContact CB-CZ 4.08Å; L117-F121 HydrophobicContact CD2-CZ 4.16Å; L117-F121 VanDerWaalsContact O-CB 3.28Å; L117-F121 WeakPolarHBondContact O-CB 3.33Å; L117-F121 WeakPolarHBondContact O-CD1 3.5Å; L117-F121 WeakPolarHBondContact O-CD2 3.15Å; L117-F121 WeakPolarHBondContact O-CG 3.39Å; L117-F121 PolarHBondContact O-N 2.93Å; L117-I147 HydrophobicContact CB-CD1 4.25Å; L117-I147 HydrophobicContact CD1-CD1 3.62Å
118K90.3Very high94.2Very high86 Ų8658.1 Ų58.137%0.37431%0.308SS..Hα-helixtrans-64.8-50.5-174.5-167.5176.8-172.9167.10111N116 K120 F121 Q122 I147 D150 M151N116-K118 PolarHBondContact O-N 2.83Å; K118-K120 VanDerWaalsContact C-N 3.28Å; K118-K120 PolarHBondContact O-N 3.22Å; K118-F121 PolarHBondContact O-N 3.42Å; K118-Q122 PolarHBondContact O-N 3.09Å; K118-I147 HydrophobicContact CB-CG2 4.3Å; K118-D150 PolarHBondContact NZ-O 2.73Å; K118-M151 HydrophobicContact CB-CE 4.32Å; K118-M151 HydrophobicContact CG-CE 3.53Å; K118-M151 HydrophobicContact CG-CG 4.31Å; K118-M151 WeakPolarHBondContact O-CE 3.29Å
119D91Very high94.2Very high85 Ų8557.8 Ų57.846%0.45531%0.306SS..Hα-helixtrans-63.7-39.1-179.5-66-2.5000110.8N116 Q122N116-D119 VanDerWaalsContact ND2-CG 3.32Å; N116-D119 PolarHBondContact ND2-OD2 3.39Å; D119-Q122 WeakPolarHBondContact O-CB 3.32Å; D119-Q122 PolarHBondContact O-N 2.63Å
120K93.6Very high94.2Very high33 Ų3354.8 Ų54.814%0.14329%0.292CS..Hα-helixtrans-62.9-46.9175.6-175.5165.6-166.5143.60112.5S111 E112 L113 N116 L117 K118 Q122 E123 Y124S111-K120 PolarHBondContact OG-NZ 3.37Å; E112-K120 PolarHBondContact O-NZ 2.69Å; L113-K120 WeakPolarHBondContact O-CD 3.3Å; N116-K120 WeakPolarHBondContact O-CB 3.34Å; N116-K120 PolarHBondContact O-N 3.47Å; L117-K120 PolarHBondContact O-N 2.54Å; K118-K120 VanDerWaalsContact C-N 3.28Å; K118-K120 PolarHBondContact O-N 3.22Å; K120-Q122 PolarHBondContact O-N 3.27Å; K120-E123 WeakPolarHBondContact O-CB 3.12Å; K120-E123 PolarHBondContact O-N 3.09Å; K120-E123 VanDerWaalsContact O-N 3.14Å; K120-Y124 HydrophobicContact CG-CE2 4.04Å; K120-Y124 WeakPolarHBondContact O-CD2 3.48Å; K120-Y124 WeakPolarHBondContact O-CE2 3.44Å
121F96.5Very high94.1Very high0 Ų053.6 Ų53.60%028%0.283CS..Hα-helixtrans-64.2-28-177.8-70.2-9000112.6L40 L42 L113 L117 K118 E123 Y124 I127 I144 I147 V148 M151L40-F121 HydrophobicContact CD2-CD1 3.64Å; L40-F121 HydrophobicContact CD2-CE1 3.68Å; L42-F121 HydrophobicContact CD1-CE1 4.35Å; L42-F121 HydrophobicContact CD1-CZ 4.32Å; L113-F121 HydrophobicContact CD1-CE1 4.28Å; L117-F121 HydrophobicContact CB-CD2 4.38Å; L117-F121 HydrophobicContact CB-CE2 3.94Å; L117-F121 HydrophobicContact CB-CZ 4.08Å; L117-F121 HydrophobicContact CD2-CZ 4.16Å; L117-F121 VanDerWaalsContact O-CB 3.28Å; L117-F121 WeakPolarHBondContact O-CB 3.33Å; L117-F121 WeakPolarHBondContact O-CD1 3.5Å; L117-F121 WeakPolarHBondContact O-CD2 3.15Å; L117-F121 WeakPolarHBondContact O-CG 3.39Å; L117-F121 PolarHBondContact O-N 2.93Å; K118-F121 PolarHBondContact O-N 3.42Å; F121-E123 PolarHBondContact O-N 3.26Å; F121-Y124 PolarHBondContact O-N 2.83Å; F121-I127 HydrophobicContact CB-CD1 3.61Å; F121-I127 HydrophobicContact CD1-CD1 3.71Å; F121-I127 HydrophobicContact CD2-CD1 3.98Å; F121-I127 HydrophobicContact CE1-CD1 4.39Å; F121-I127 HydrophobicContact CG-CD1 3.47Å; F121-I127 VanDerWaalsContact CG-CD1 3.47Å; F121-I144 HydrophobicContact CE2-CB 4.49Å; F121-I144 HydrophobicContact CE2-CG1 4.35Å; F121-I144 HydrophobicContact CE2-CG2 3.75Å; F121-I144 HydrophobicContact CZ-CG1 4.28Å; F121-I144 HydrophobicContact CZ-CG2 4.04Å; F121-I147 HydrophobicContact CD2-CG2 3.95Å; F121-I147 HydrophobicContact CE2-CG2 4.2Å; F121-V148 HydrophobicContact CD2-CG2 3.89Å; F121-M151 HydrophobicContact CB-CE 3.68Å; F121-M151 HydrophobicContact CB-SD 4.35Å
122Q94.2Very high94Very high88 Ų8854.7 Ų54.741%0.41128%0.283SS..THydrogen-bonded Turntrans-65.3-19.6175.2-99.1165.510.500113.9K118 D119 K120 Y124 M151K118-Q122 PolarHBondContact O-N 3.09Å; D119-Q122 WeakPolarHBondContact O-CB 3.32Å; D119-Q122 PolarHBondContact O-N 2.63Å; K120-Q122 PolarHBondContact O-N 3.27Å; Q122-Y124 PolarHBondContact O-N 3.33Å; Q122-M151 HydrophobicContact CB-CE 4.22Å; Q122-M151 HydrophobicContact CG-CE 3.61Å; Q122-M151 HydrophobicContact CG-SD 4.45Å
123E95Very high94Very high120 Ų12047.2 Ų47.256%0.56125%0.249SC*.THydrogen-bonded Turntrans-75.7-12.4179-60.9-179.6-147.800113.3K38 K120 F121K38-E123 VanDerWaalsContact CD-O 3.25Å; K38-E123 WeakPolarHBondContact CD-O 3.36Å; K120-E123 WeakPolarHBondContact O-CB 3.12Å; K120-E123 PolarHBondContact O-N 3.09Å; K120-E123 VanDerWaalsContact O-N 3.14Å; F121-E123 PolarHBondContact O-N 3.26Å
124Y97.8Very high94.4Very high13 Ų1345.2 Ų45.25%0.05124%0.239CC..  trans-114.8151.3-171.1-57-82.2000111.6K38 L40 T64 K120 F121 Q122 P157K38-Y124 HydrophobicContact CB-CD1 4.12Å; L40-Y124 HydrophobicContact CB-CD1 3.74Å; L40-Y124 HydrophobicContact CB-CD2 3.84Å; L40-Y124 HydrophobicContact CB-CE1 3.98Å; L40-Y124 HydrophobicContact CB-CE2 4.08Å; L40-Y124 HydrophobicContact CB-CG 3.66Å; L40-Y124 HydrophobicContact CD1-CE1 4.37Å; L40-Y124 HydrophobicContact CD1-CE2 4.16Å; L40-Y124 HydrophobicContact CD2-CD2 3.99Å; L40-Y124 HydrophobicContact CD2-CE2 3.95Å; L40-Y124 HydrophobicContact CG-CD2 4.41Å; L40-Y124 HydrophobicContact CG-CE2 4.3Å; T64-Y124 WeakPolarHBondContact CB-OH 3.16Å; T64-Y124 WeakPolarHBondContact CG2-OH 3.49Å; T64-Y124 PolarHBondContact OG1-OH 3.15Å; K120-Y124 HydrophobicContact CG-CE2 4.04Å; K120-Y124 WeakPolarHBondContact O-CD2 3.48Å; K120-Y124 WeakPolarHBondContact O-CE2 3.44Å; F121-Y124 PolarHBondContact O-N 2.83Å; Q122-Y124 PolarHBondContact O-N 3.33Å; Y124-P157 WeakPolarHBondContact O-CB 3.34Å
125N97.5Very high94.9Very high80 Ų8044 Ų4443%0.42822%0.223SC..SBendtrans-91.6-24.2174.1-53.3107.1000111.9Q36 S37 K38 P157 Y158Q36-N125 PolarHBondContact O-OD1 3.08Å; S37-N125 WeakPolarHBondContact CA-OD1 3.37Å; K38-N125 PolarHBondContact N-OD1 3.27Å; K38-N125 PolarHBondContact O-N 3.32Å; N125-P157 WeakPolarHBondContact O-CA 3.3Å; N125-Y158 PolarHBondContact O-N 3.42Å
126L98.5Very high95.3Very high4 Ų439.8 Ų39.82%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-143.9132.5-177.9169.865.2000109.7K38 V39 L40 I128 Y158 I160 I317 I321K38-L126 PolarHBondContact O-N 3.44Å; V39-L126 WeakPolarHBondContact CA-O 3.17Å; V39-L126 HydrophobicContact CG1-CD2 4.17Å; V39-L126 HydrophobicContact CG1-CG 4.23Å; V39-L126 HydrophobicContact CG2-CB 4.32Å; V39-L126 HydrophobicContact CG2-CD2 4.19Å; L40-L126 PolarHBondContact N-O 3.46Å; L126-I128 HydrophobicContact CD1-CG1 4.25Å; L126-I128 HydrophobicContact CD2-CD1 4.01Å; L126-I128 HydrophobicContact CD2-CG1 3.99Å; L126-I128 HydrophobicContact CG-CD1 4.42Å; L126-I128 HydrophobicContact CG-CG1 3.88Å; L126-Y158 WeakPolarHBondContact CA-O 3.2Å; L126-I160 HydrophobicContact CD1-CD1 3.96Å; L126-I160 HydrophobicContact CD1-CG1 4.01Å; L126-I317 HydrophobicContact CD2-CB 4.39Å; L126-I317 HydrophobicContact CD2-CD1 4.36Å; L126-I317 HydrophobicContact CD2-CG1 4.02Å; L126-I317 HydrophobicContact CD2-CG2 3.52Å; L126-I321 HydrophobicContact CD2-CD1 4.32Å
127I98.5Very high95.6Very high0 Ų036.9 Ų36.90%019%0.185CC..EExtended strand (participates in β ladder)trans-114.3124.1171.4-57.3174.3000108.2L40 L42 F121 L129 V148 P157 Y158 I159 I160L40-I127 HydrophobicContact CB-CG1 4.24Å; L40-I127 HydrophobicContact CD2-CG1 4.33Å; L40-I127 HydrophobicContact CD2-CG2 4.33Å; L40-I127 CarbonylContact O-C 3.33Å; L40-I127 WeakPolarHBondContact O-CA 3.38Å; L42-I127 HydrophobicContact CD1-CG2 4.1Å; L42-I127 HydrophobicContact CG-CG2 4.37Å; F121-I127 HydrophobicContact CB-CD1 3.61Å; F121-I127 HydrophobicContact CD1-CD1 3.71Å; F121-I127 HydrophobicContact CD2-CD1 3.98Å; F121-I127 HydrophobicContact CE1-CD1 4.39Å; F121-I127 HydrophobicContact CG-CD1 3.47Å; F121-I127 VanDerWaalsContact CG-CD1 3.47Å; I127-L129 HydrophobicContact CG2-CD1 3.73Å; I127-L129 HydrophobicContact CG2-CG 4.43Å; I127-V148 HydrophobicContact CD1-CG2 3.92Å; I127-P157 HydrophobicContact CD1-CB 4.11Å; I127-P157 HydrophobicContact CD1-CG 3.61Å; I127-P157 HydrophobicContact CG1-CB 4Å; I127-P157 HydrophobicContact CG1-CG 4.07Å; I127-Y158 PolarHBondContact N-O 3.5Å; I127-I159 WeakPolarHBondContact O-CA 3.5Å; I127-I160 PolarHBondContact O-N 3.48Å
128I98.7Very high95.9Very high0 Ų035.9 Ų35.90%018%0.18CC..EExtended strand (participates in β ladder)trans-111.4119.4177.1-49173.8000107.6V39 L40 L41 L42 I51 I55 L126 V130 I160 I317V39-I128 HydrophobicContact CG1-CD1 3.64Å; V39-I128 HydrophobicContact CG1-CG1 4Å; L40-I128 PolarHBondContact O-N 3.41Å; L41-I128 CarbonylContact C-O 3.55Å; L41-I128 WeakPolarHBondContact CA-O 3.26Å; L41-I128 HydrophobicContact CD1-CB 3.73Å; L41-I128 HydrophobicContact CD1-CG2 3.76Å; L42-I128 PolarHBondContact N-O 3.38Å; I51-I128 HydrophobicContact CG2-CD1 3.89Å; I51-I128 HydrophobicContact CG2-CG2 4.48Å; I55-I128 HydrophobicContact CD1-CD1 3.84Å; L126-I128 HydrophobicContact CD1-CG1 4.25Å; L126-I128 HydrophobicContact CD2-CD1 4.01Å; L126-I128 HydrophobicContact CD2-CG1 3.99Å; L126-I128 HydrophobicContact CG-CD1 4.42Å; L126-I128 HydrophobicContact CG-CG1 3.88Å; I128-V130 HydrophobicContact CG2-CG2 3.81Å; I128-I160 CarbonylContact C-O 3.14Å; I128-I160 WeakPolarHBondContact CA-O 3.33Å; I128-I160 HydrophobicContact CG2-CB 4.49Å; I128-I160 HydrophobicContact CG2-CG2 4.44Å; I128-I317 HydrophobicContact CD1-CD1 3.6Å; I128-I317 HydrophobicContact CG1-CD1 4.33Å
129L98.2Very high96.2Very high2 Ų238.1 Ų38.11%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-104.3108.2176.3-66.290.8000108.8L42 I127 I144 I159 I160 C161 A162L42-L129 HydrophobicContact CB-CG 4.48Å; L42-L129 HydrophobicContact CD1-CD2 4.43Å; L42-L129 HydrophobicContact CD1-CG 4.17Å; I127-L129 HydrophobicContact CG2-CD1 3.73Å; I127-L129 HydrophobicContact CG2-CG 4.43Å; L129-I144 HydrophobicContact CD1-CG2 4.07Å; L129-I144 HydrophobicContact CD2-CB 3.77Å; L129-I144 HydrophobicContact CD2-CD1 3.42Å; L129-I144 VanDerWaalsContact CD2-CD1 3.42Å; L129-I144 HydrophobicContact CD2-CG1 4.17Å; L129-I144 HydrophobicContact CD2-CG2 3.78Å; L129-I144 HydrophobicContact CG-CD1 4.46Å; L129-I144 HydrophobicContact CG-CG2 4.4Å; L129-I159 HydrophobicContact CD1-CG2 3.74Å; L129-I160 PolarHBondContact N-O 2.82Å; L129-C161 CarbonylContact O-C 3.44Å; L129-C161 VanDerWaalsContact O-CA 3.3Å; L129-C161 WeakPolarHBondContact O-CA 3.47Å; L129-A162 PolarHBondContact O-N 3.33Å
130V98.4Very high96.4Very high3 Ų338.7 Ų38.72%0.01819%0.185CC..EExtended strand (participates in β ladder)trans-113.3113.6175.8-173.10000109L41 L42 G43 N45 L47 A48 I51 I128 A162L41-V130 HydrophobicContact CD1-CG2 3.89Å; L42-V130 PolarHBondContact O-N 2.88Å; G43-V130 WeakPolarHBondContact CA-O 3.33Å; N45-V130 WeakPolarHBondContact OD1-CG1 3.42Å; L47-V130 HydrophobicContact CB-CG1 4.01Å; L47-V130 HydrophobicContact CD2-CG1 3.86Å; L47-V130 HydrophobicContact CG-CG1 4.03Å; A48-V130 HydrophobicContact CB-CB 3.89Å; A48-V130 HydrophobicContact CB-CG1 3.95Å; A48-V130 HydrophobicContact CB-CG2 4.02Å; I51-V130 HydrophobicContact CD1-CG2 3.97Å; I128-V130 HydrophobicContact CG2-CG2 3.81Å; V130-A162 WeakPolarHBondContact CA-O 3.29Å
131T96Very high96.5Very high14 Ų1437.2 Ų37.29%0.08618%0.179CC..EExtended strand (participates in β ladder)trans-127.2175.6-175.762.50000111.2Y137 W141 A162 S163T131-Y137 HydrophobicContact CG2-CD1 3.95Å; T131-Y137 HydrophobicContact CG2-CG 4.29Å; T131-W141 PolarHBondContact OG1-NE1 2.75Å; T131-A162 PolarHBondContact N-O 3.06Å; T131-S163 PolarHBondContact O-OG 3.46Å
132E93.8Very high96.5Very high65 Ų6538.8 Ų38.830%0.30419%0.189SC..  trans-80.1167162.4-62.6153.1-152.800110.2S134 Y137 S163E132-S134 PolarHBondContact O-N 3.42Å; E132-Y137 HydrophobicContact CB-CD2 3.79Å; E132-Y137 HydrophobicContact CB-CE2 3.69Å; E132-Y137 HydrophobicContact CG-CE2 4.3Å; E132-Y137 WeakPolarHBondContact O-CB 3.47Å; E132-Y137 WeakPolarHBondContact O-CD2 3.2Å; E132-Y137 WeakPolarHBondContact OE2-CE2 3.26Å; E132-S163 PolarHBondContact O-OG 3Å
133C95.3Very high96.6Very high7 Ų738.5 Ų38.55%0.04719%0.194CC..SBendtrans-84.2103.5176.3-71.50000110.8S163 T165 L256 F266C133-S163 PolarHBondContact N-OG 3.19Å; C133-S163 PolarHBondContact SG-OG 2.97Å; C133-T165 HydrophobicContact CB-CG2 4.06Å; C133-L256 HydrophobicContact CB-CB 4.21Å; C133-L256 HydrophobicContact CB-CD1 4.21Å; C133-L256 HydrophobicContact CB-CD2 4.12Å; C133-L256 HydrophobicContact CB-CG 4.41Å; C133-F266 HydrophobicContact CB-CE2 4.38Å; C133-F266 VanDerWaalsContact O-CZ 3.3Å; C133-F266 WeakPolarHBondContact O-CZ 3.37Å
134S95.6Very high96.6Very high1 Ų133 Ų331%0.00717%0.168CC..SBendtrans-160.2162.3169.878.20000112.3E132 V136 Y137 F138 I261E132-S134 PolarHBondContact O-N 3.42Å; S134-V136 PolarHBondContact O-N 3.02Å; S134-V136 VanDerWaalsContact O-N 3.17Å; S134-V136 PolarHBondContact OG-N 3.29Å; S134-Y137 PolarHBondContact O-N 3.29Å; S134-Y137 VanDerWaalsContact O-N 3.11Å; S134-Y137 WeakPolarHBondContact OG-CD2 3.43Å; S134-Y137 PolarHBondContact OG-N 3.41Å; S134-F138 VanDerWaalsContact O-CD2 3.22Å; S134-F138 WeakPolarHBondContact O-CD2 3.4Å; S134-F138 PolarHBondContact O-N 2.84Å; S134-I261 WeakPolarHBondContact OG-CD1 3.06Å; S134-I261 WeakPolarHBondContact OG-CG1 3.42Å
135S96.3Very high96.6Very high24 Ų2432.4 Ų32.417%0.16817%0.166CC..Hα-helixtrans-53.8-34.6174.562.70000113.6K139 N257 C259S135-K139 WeakPolarHBondContact O-CB 3.44Å; S135-K139 WeakPolarHBondContact O-CD 3.37Å; S135-K139 WeakPolarHBondContact O-CG 3.21Å; S135-K139 PolarHBondContact O-N 3.46Å; S135-K139 VanDerWaalsContact O-N 3.17Å; S135-N257 WeakPolarHBondContact CA-O 3.15Å; S135-N257 WeakPolarHBondContact CB-O 3.24Å; S135-C259 WeakPolarHBondContact CB-O 3.44Å; S135-C259 PolarHBondContact N-O 2.85Å; S135-C259 PolarHBondContact OG-O 2.93Å; S135-C259 VanDerWaalsContact OG-O 3.13Å
136V96.3Very high96.5Very high81 Ų8131 Ų3149%0.49116%0.162SC..Hα-helixtrans-70.2-44179.1174.70000110.8S134 K139 R140 I261S134-V136 PolarHBondContact O-N 3.02Å; S134-V136 VanDerWaalsContact O-N 3.17Å; S134-V136 PolarHBondContact OG-N 3.29Å; V136-K139 PolarHBondContact O-N 3.08Å; V136-R140 PolarHBondContact O-N 3.01Å; V136-I261 HydrophobicContact CB-CD1 3.83Å; V136-I261 HydrophobicContact CG1-CD1 4.25Å; V136-I261 HydrophobicContact CG2-CD1 4.13Å
137Y95.9Very high96.3Very high31 Ų3132.6 Ų32.612%0.12217%0.171CC..Hα-helixtrans-74.2-35.3-178.5-68.5-58.3000112.9Q69 T131 E132 S134 K139 R140 W141 I261Q69-Y137 PolarHBondContact NE2-OH 2.84Å; Q69-Y137 VanDerWaalsContact NE2-OH 3.13Å; T131-Y137 HydrophobicContact CG2-CD1 3.95Å; T131-Y137 HydrophobicContact CG2-CG 4.29Å; E132-Y137 HydrophobicContact CB-CD2 3.79Å; E132-Y137 HydrophobicContact CB-CE2 3.69Å; E132-Y137 HydrophobicContact CG-CE2 4.3Å; E132-Y137 WeakPolarHBondContact O-CB 3.47Å; E132-Y137 WeakPolarHBondContact O-CD2 3.2Å; E132-Y137 WeakPolarHBondContact OE2-CE2 3.26Å; S134-Y137 PolarHBondContact O-N 3.29Å; S134-Y137 VanDerWaalsContact O-N 3.11Å; S134-Y137 WeakPolarHBondContact OG-CD2 3.43Å; S134-Y137 PolarHBondContact OG-N 3.41Å; Y137-K139 VanDerWaalsContact C-N 3.35Å; Y137-K139 PolarHBondContact O-N 3.39Å; Y137-R140 WeakPolarHBondContact O-CA 3.45Å; Y137-R140 WeakPolarHBondContact O-CB 3.34Å; Y137-R140 PolarHBondContact O-N 2.88Å; Y137-R140 VanDerWaalsContact O-N 3.1Å; Y137-W141 VanDerWaalsContact O-CD1 3.22Å; Y137-W141 PolarHBondContact O-N 2.96Å; Y137-I261 HydrophobicContact CD2-CD1 4.04Å; Y137-I261 HydrophobicContact CD2-CG1 4.41Å; Y137-I261 HydrophobicContact CE2-CD1 3.55Å; Y137-I261 HydrophobicContact CE2-CG1 4.11Å
138F96.4Very high96.2Very high17 Ų1732.7 Ų32.78%0.07517%0.171CC..Hα-helixtrans-63.8-38.7171.1-81.4-71.4000112.1S134 R140 W141 S142 L170 M253 L256 N257S134-F138 VanDerWaalsContact O-CD2 3.22Å; S134-F138 WeakPolarHBondContact O-CD2 3.4Å; S134-F138 PolarHBondContact O-N 2.84Å; F138-R140 VanDerWaalsContact C-N 3.28Å; F138-R140 PolarHBondContact O-N 2.79Å; F138-W141 HydrophobicContact CD1-CD2 4.42Å; F138-W141 HydrophobicContact CD1-CE3 4.11Å; F138-W141 HydrophobicContact CD1-CZ3 4.46Å; F138-W141 HydrophobicContact CE1-CE3 4.16Å; F138-W141 HydrophobicContact CE1-CH2 4.46Å; F138-W141 HydrophobicContact CE1-CZ3 4.04Å; F138-W141 WeakPolarHBondContact O-CB 3.29Å; F138-W141 PolarHBondContact O-N 3.44Å; F138-S142 PolarHBondContact O-N 2.82Å; F138-S142 PolarHBondContact O-OG 2.96Å; F138-L170 HydrophobicContact CE1-CD1 4.02Å; F138-L170 HydrophobicContact CZ-CD1 4.13Å; F138-L170 HydrophobicContact CZ-CD2 4.11Å; F138-M253 HydrophobicContact CE1-CG 3.58Å; F138-M253 HydrophobicContact CE1-SD 4.28Å; F138-M253 HydrophobicContact CZ-CG 3.64Å; F138-L256 HydrophobicContact CE2-CB 3.99Å; F138-N257 HydrophobicContact CB-CB 4.41Å; F138-N257 WeakPolarHBondContact CB-OD1 3.43Å; F138-N257 HydrophobicContact CD2-CB 3.85Å; F138-N257 HydrophobicContact CE2-CB 4.3Å; F138-N257 HydrophobicContact CG-CB 4.1Å
139K96.2Very high95.9Very high133 Ų13333.2 Ų33.258%0.57818%0.175SC*.Hα-helixtrans-62.3-36170.6-73.6168.2-173.4172.30112.3S135 V136 Y137 S142 T143S135-K139 WeakPolarHBondContact O-CB 3.44Å; S135-K139 WeakPolarHBondContact O-CD 3.37Å; S135-K139 WeakPolarHBondContact O-CG 3.21Å; S135-K139 PolarHBondContact O-N 3.46Å; S135-K139 VanDerWaalsContact O-N 3.17Å; V136-K139 PolarHBondContact O-N 3.08Å; Y137-K139 VanDerWaalsContact C-N 3.35Å; Y137-K139 PolarHBondContact O-N 3.39Å; K139-S142 PolarHBondContact O-N 3.18Å; K139-T143 PolarHBondContact O-N 3.37Å; K139-T143 PolarHBondContact O-OG1 2.72Å
140R94.8Very high95.6Very high97 Ų9738.3 Ų38.337%0.36620%0.202SC..Hα-helixtrans-65.3-40.8174.7-173.2173.5178.8170.3-2.3111.5V136 Y137 F138 T143 I144V136-R140 PolarHBondContact O-N 3.01Å; Y137-R140 WeakPolarHBondContact O-CA 3.45Å; Y137-R140 WeakPolarHBondContact O-CB 3.34Å; Y137-R140 PolarHBondContact O-N 2.88Å; Y137-R140 VanDerWaalsContact O-N 3.1Å; F138-R140 VanDerWaalsContact C-N 3.28Å; F138-R140 PolarHBondContact O-N 2.79Å; R140-T143 PolarHBondContact O-N 2.95Å; R140-I144 HydrophobicContact CG-CD1 3.92Å; R140-I144 PolarHBondContact O-N 3.06Å
141W96.6Very high95.4Very high2 Ų238.5 Ų38.51%0.00820%0.203CC..Hα-helixtrans-56.5-53.4170.5-70.216.9000110.5T131 Y137 F138 T143 I144 C145 C161 A162 L170 F172 L226T131-W141 PolarHBondContact OG1-NE1 2.75Å; Y137-W141 VanDerWaalsContact O-CD1 3.22Å; Y137-W141 PolarHBondContact O-N 2.96Å; F138-W141 HydrophobicContact CD1-CD2 4.42Å; F138-W141 HydrophobicContact CD1-CE3 4.11Å; F138-W141 HydrophobicContact CD1-CZ3 4.46Å; F138-W141 HydrophobicContact CE1-CE3 4.16Å; F138-W141 HydrophobicContact CE1-CH2 4.46Å; F138-W141 HydrophobicContact CE1-CZ3 4.04Å; F138-W141 WeakPolarHBondContact O-CB 3.29Å; F138-W141 PolarHBondContact O-N 3.44Å; W141-T143 VanDerWaalsContact C-N 3.28Å; W141-T143 PolarHBondContact O-N 3.24Å; W141-I144 PolarHBondContact O-N 3.3Å; W141-C145 VanDerWaalsContact O-CB 3.3Å; W141-C145 WeakPolarHBondContact O-CB 3.32Å; W141-C145 PolarHBondContact O-N 3.15Å; W141-C145 PolarHBondContact O-SG 3.37Å; W141-C161 HydrophobicContact CD2-CB 3.4Å; W141-C161 VanDerWaalsContact CD2-CB 3.4Å; W141-C161 HydrophobicContact CE3-CB 3.3Å; W141-C161 HydrophobicContact CG-CB 4.16Å; W141-C161 HydrophobicContact CH2-CB 3.47Å; W141-C161 VanDerWaalsContact CH2-CB 3.47Å; W141-C161 HydrophobicContact CZ2-CB 3.59Å; W141-C161 HydrophobicContact CZ3-CB 3.33Å; W141-A162 VanDerWaalsContact CZ2-N 3.34Å; W141-L170 HydrophobicContact CH2-CD1 3.63Å; W141-L170 HydrophobicContact CH2-CG 4.41Å; W141-L170 HydrophobicContact CZ3-CD1 3.77Å; W141-F172 HydrophobicContact CZ3-CB 4.39Å; W141-L226 HydrophobicContact CB-CD2 3.91Å; W141-L226 HydrophobicContact CE3-CD2 4.49Å
142S96.3Very high95.2Very high32 Ų3242.2 Ų42.222%0.22422%0.222CC..Hα-helixtrans-54.5-43.7179-59.30000112.8F138 K139 S146F138-S142 PolarHBondContact O-N 2.82Å; F138-S142 PolarHBondContact O-OG 2.96Å; K139-S142 PolarHBondContact O-N 3.18Å; S142-S146 WeakPolarHBondContact O-CB 3.3Å; S142-S146 PolarHBondContact O-N 2.84Å
143T95.9Very high95Very high82 Ų8244.6 Ų44.650%0.50324%0.236SC..Hα-helixtrans-63.2-49.8-179.6-56.20000111.3K139 R140 W141 S146 I147K139-T143 PolarHBondContact O-N 3.37Å; K139-T143 PolarHBondContact O-OG1 2.72Å; R140-T143 PolarHBondContact O-N 2.95Å; W141-T143 VanDerWaalsContact C-N 3.28Å; W141-T143 PolarHBondContact O-N 3.24Å; T143-S146 PolarHBondContact O-N 3.35Å; T143-I147 HydrophobicContact CG2-CD1 4.2Å; T143-I147 WeakPolarHBondContact O-CG1 3.34Å; T143-I147 PolarHBondContact O-N 3.04Å; T143-I147 VanDerWaalsContact O-N 3.08Å
144I96Very high94.6Very high4 Ų451.3 Ų51.32%0.02127%0.271CS..Hα-helixtrans-69.3-42.5-178.1-69.2166000111L42 F121 L129 R140 W141 S146 I147 V148L42-I144 HydrophobicContact CD1-CD1 3.71Å; F121-I144 HydrophobicContact CE2-CB 4.49Å; F121-I144 HydrophobicContact CE2-CG1 4.35Å; F121-I144 HydrophobicContact CE2-CG2 3.75Å; F121-I144 HydrophobicContact CZ-CG1 4.28Å; F121-I144 HydrophobicContact CZ-CG2 4.04Å; L129-I144 HydrophobicContact CD1-CG2 4.07Å; L129-I144 HydrophobicContact CD2-CB 3.77Å; L129-I144 HydrophobicContact CD2-CD1 3.42Å; L129-I144 VanDerWaalsContact CD2-CD1 3.42Å; L129-I144 HydrophobicContact CD2-CG1 4.17Å; L129-I144 HydrophobicContact CD2-CG2 3.78Å; L129-I144 HydrophobicContact CG-CD1 4.46Å; L129-I144 HydrophobicContact CG-CG2 4.4Å; R140-I144 HydrophobicContact CG-CD1 3.92Å; R140-I144 PolarHBondContact O-N 3.06Å; W141-I144 PolarHBondContact O-N 3.3Å; I144-S146 VanDerWaalsContact C-N 3.27Å; I144-S146 PolarHBondContact O-N 2.92Å; I144-I147 PolarHBondContact O-N 3.41Å; I144-V148 HydrophobicContact CG2-CG2 4.49Å; I144-V148 WeakPolarHBondContact O-CG2 3.37Å; I144-V148 PolarHBondContact O-N 2.94Å
145C96.5Very high94.3Very high2 Ų254.7 Ų54.71%0.01429%0.292CS..Hα-helixtrans-59.5-38.3174.9-67.90000112W141 S149 I159 L226W141-C145 VanDerWaalsContact O-CB 3.3Å; W141-C145 WeakPolarHBondContact O-CB 3.32Å; W141-C145 PolarHBondContact O-N 3.15Å; W141-C145 PolarHBondContact O-SG 3.37Å; C145-S149 VanDerWaalsContact O-CB 3.26Å; C145-S149 WeakPolarHBondContact O-CB 2.86Å; C145-S149 PolarHBondContact O-N 3Å; C145-S149 PolarHBondContact O-OG 3.23Å; C145-I159 HydrophobicContact CB-CD1 4.33Å; C145-L226 HydrophobicContact CB-CB 4.14Å; C145-L226 HydrophobicContact CB-CD2 4.24Å
146S96Very high94.3Very high49 Ų4956 Ų5634%0.34329%0.293SS..Hα-helixtrans-64.2-46.9175-167.80000111.7S142 T143 I144 V148 S149 D150S142-S146 WeakPolarHBondContact O-CB 3.3Å; S142-S146 PolarHBondContact O-N 2.84Å; T143-S146 PolarHBondContact O-N 3.35Å; I144-S146 VanDerWaalsContact C-N 3.27Å; I144-S146 PolarHBondContact O-N 2.92Å; S146-V148 VanDerWaalsContact C-N 3.32Å; S146-V148 PolarHBondContact O-N 3.36Å; S146-S149 WeakPolarHBondContact O-CB 3.38Å; S146-S149 PolarHBondContact O-N 3.22Å; S146-D150 PolarHBondContact O-N 2.91Å; S146-D150 VanDerWaalsContact O-N 3.13Å
147I95Very high94.3Very high39 Ų3952.3 Ų52.320%0.227%0.271CS..Hα-helixtrans-57.6-46.6179.1-69.1163.5000110.9L117 K118 F121 T143 I144 D150 M151L117-I147 HydrophobicContact CB-CD1 4.25Å; L117-I147 HydrophobicContact CD1-CD1 3.62Å; K118-I147 HydrophobicContact CB-CG2 4.3Å; F121-I147 HydrophobicContact CD2-CG2 3.95Å; F121-I147 HydrophobicContact CE2-CG2 4.2Å; T143-I147 HydrophobicContact CG2-CD1 4.2Å; T143-I147 WeakPolarHBondContact O-CG1 3.34Å; T143-I147 PolarHBondContact O-N 3.04Å; T143-I147 VanDerWaalsContact O-N 3.08Å; I144-I147 PolarHBondContact O-N 3.41Å; I147-D150 PolarHBondContact O-N 3.1Å; I147-M151 WeakPolarHBondContact O-CG 3.39Å
148V95.8Very high94.4Very high1 Ų152.9 Ų52.91%0.00627%0.273CS..Hα-helixtrans-69.5-35.8179.6175.20000111.5F121 I127 I144 S146 D150 M151 R156 P157 I159F121-V148 HydrophobicContact CD2-CG2 3.89Å; I127-V148 HydrophobicContact CD1-CG2 3.92Å; I144-V148 HydrophobicContact CG2-CG2 4.49Å; I144-V148 WeakPolarHBondContact O-CG2 3.37Å; I144-V148 PolarHBondContact O-N 2.94Å; S146-V148 VanDerWaalsContact C-N 3.32Å; S146-V148 PolarHBondContact O-N 3.36Å; V148-D150 PolarHBondContact O-N 3.25Å; V148-M151 HydrophobicContact CB-SD 4.49Å; V148-M151 HydrophobicContact CG1-SD 4.41Å; V148-M151 HydrophobicContact CG2-SD 4.48Å; V148-M151 VanDerWaalsContact O-CB 3.27Å; V148-M151 WeakPolarHBondContact O-CB 3.11Å; V148-M151 WeakPolarHBondContact O-CG 3.47Å; V148-M151 PolarHBondContact O-N 2.84Å; V148-R156 HydrophobicContact CG1-CG 3.59Å; V148-R156 WeakPolarHBondContact O-CD 3.46Å; V148-R156 WeakPolarHBondContact O-CG 3.34Å; V148-R156 PolarHBondContact O-NE 3.36Å; V148-P157 HydrophobicContact CG1-CG 3.78Å; V148-P157 HydrophobicContact CG2-CG 4.26Å; V148-I159 HydrophobicContact CB-CD1 3.33Å; V148-I159 HydrophobicContact CB-CG1 4.1Å; V148-I159 HydrophobicContact CG1-CD1 3.39Å; V148-I159 HydrophobicContact CG1-CG1 3.74Å; V148-I159 HydrophobicContact CG2-CD1 3.74Å; V148-I159 HydrophobicContact CG2-CG1 4.18Å
149S92.2Very high94.5Very high12 Ų1252.2 Ų52.28%0.08427%0.27CS..Hα-helixtrans-62.1-28.2176-65.60000113.2C145 S146 M151 R156C145-S149 VanDerWaalsContact O-CB 3.26Å; C145-S149 WeakPolarHBondContact O-CB 2.86Å; C145-S149 PolarHBondContact O-N 3Å; C145-S149 PolarHBondContact O-OG 3.23Å; S146-S149 WeakPolarHBondContact O-CB 3.38Å; S146-S149 PolarHBondContact O-N 3.22Å; S149-M151 VanDerWaalsContact C-N 3.3Å; S149-R156 VanDerWaalsContact O-CZ 3.27Å; S149-R156 PolarHBondContact O-NH2 2.96Å
150D92.1Very high94.6Very high109 Ų10945.9 Ų45.958%0.58324%0.243SC*.THydrogen-bonded Turntrans-87.25.7177.3-66-21.2000113.5K118 S146 I147 V148K118-D150 PolarHBondContact NZ-O 2.73Å; S146-D150 PolarHBondContact O-N 2.91Å; S146-D150 VanDerWaalsContact O-N 3.13Å; I147-D150 PolarHBondContact O-N 3.1Å; V148-D150 PolarHBondContact O-N 3.25Å
151M93.8Very high94.8Very high6 Ų641.3 Ų41.33%0.0323%0.225CC..SBendtrans-84.7157.3172.9-60.9-177.2133.800112K118 F121 Q122 I147 V148 S149 I153 R156 P157K118-M151 HydrophobicContact CB-CE 4.32Å; K118-M151 HydrophobicContact CG-CE 3.53Å; K118-M151 HydrophobicContact CG-CG 4.31Å; K118-M151 WeakPolarHBondContact O-CE 3.29Å; F121-M151 HydrophobicContact CB-CE 3.68Å; F121-M151 HydrophobicContact CB-SD 4.35Å; Q122-M151 HydrophobicContact CB-CE 4.22Å; Q122-M151 HydrophobicContact CG-CE 3.61Å; Q122-M151 HydrophobicContact CG-SD 4.45Å; I147-M151 WeakPolarHBondContact O-CG 3.39Å; V148-M151 HydrophobicContact CB-SD 4.49Å; V148-M151 HydrophobicContact CG1-SD 4.41Å; V148-M151 HydrophobicContact CG2-SD 4.48Å; V148-M151 VanDerWaalsContact O-CB 3.27Å; V148-M151 WeakPolarHBondContact O-CB 3.11Å; V148-M151 WeakPolarHBondContact O-CG 3.47Å; V148-M151 PolarHBondContact O-N 2.84Å; S149-M151 VanDerWaalsContact C-N 3.3Å; M151-I153 PolarHBondContact O-N 2.88Å; M151-R156 HydrophobicContact CB-CB 4.48Å; M151-R156 HydrophobicContact CB-CG 4.45Å; M151-R156 PolarHBondContact O-NE 2.98Å; M151-R156 PolarHBondContact O-NH2 3.14Å; M151-P157 HydrophobicContact SD-CG 4.29Å
152D92.1Very high94.9Very high93 Ų9341.2 Ų41.250%0.49723%0.225SC..  trans-57.1134173.3-172.3-66.8000110.6D154 T155 R156D152-D154 PolarHBondContact O-N 3.39Å; D152-D154 WeakPolarHBondContact OD1-CB 3.35Å; D152-D154 PolarHBondContact OD1-N 2.79Å; D152-T155 PolarHBondContact O-N 3.09Å; D152-T155 PolarHBondContact O-OG1 3.1Å; D152-R156 WeakPolarHBondContact O-CB 3.32Å; D152-R156 PolarHBondContact O-N 3.14Å
153I89.4Confident95Very high114 Ų11439.7 Ų39.759%0.58522%0.215SC*.THydrogen-bonded Turntrans-60.9-31.3-172.8-164.7160.3000113M151 T155M151-I153 PolarHBondContact O-N 2.88Å; I153-T155 VanDerWaalsContact C-N 3.34Å
154D87.5Confident95Very high148 Ų14836.2 Ų36.279%0.79119%0.193SC*.THydrogen-bonded Turntrans-79.1-20.6-177.2-67.6-29.2000112.5D152D152-D154 PolarHBondContact O-N 3.39Å; D152-D154 WeakPolarHBondContact OD1-CB 3.35Å; D152-D154 PolarHBondContact OD1-N 2.79Å
155T90.2Very high95.1Very high72 Ų7236.6 Ų36.644%0.44220%0.196SC..THydrogen-bonded Turntrans-114.40.3-178.762.20000113.2D152 I153 P157D152-T155 PolarHBondContact O-N 3.09Å; D152-T155 PolarHBondContact O-OG1 3.1Å; I153-T155 VanDerWaalsContact C-N 3.34Å; T155-P157 WeakPolarHBondContact O-CD 3.18Å
156R95Very high95.1Very high51 Ų5136.6 Ų36.619%0.19220%0.196CC..PPolyproline II helixtrans-67.4125.3-175.7-173.1178.7-61.2171.60.3110.5V148 S149 M151 D152V148-R156 HydrophobicContact CG1-CG 3.59Å; V148-R156 WeakPolarHBondContact O-CD 3.46Å; V148-R156 WeakPolarHBondContact O-CG 3.34Å; V148-R156 PolarHBondContact O-NE 3.36Å; S149-R156 VanDerWaalsContact O-CZ 3.27Å; S149-R156 PolarHBondContact O-NH2 2.96Å; M151-R156 HydrophobicContact CB-CB 4.48Å; M151-R156 HydrophobicContact CB-CG 4.45Å; M151-R156 PolarHBondContact O-NE 2.98Å; M151-R156 PolarHBondContact O-NH2 3.14Å; D152-R156 WeakPolarHBondContact O-CB 3.32Å; D152-R156 PolarHBondContact O-N 3.14Å
157P97.4Very high95.1Very high4 Ų437.1 Ų37.13%0.02620%0.195CC..PPolyproline II helixtrans-67.8148.7171.625.5-31.7000111.2Y124 N125 I127 V148 M151 T155Y124-P157 WeakPolarHBondContact O-CB 3.34Å; N125-P157 WeakPolarHBondContact O-CA 3.3Å; I127-P157 HydrophobicContact CD1-CB 4.11Å; I127-P157 HydrophobicContact CD1-CG 3.61Å; I127-P157 HydrophobicContact CG1-CB 4Å; I127-P157 HydrophobicContact CG1-CG 4.07Å; V148-P157 HydrophobicContact CG1-CG 3.78Å; V148-P157 HydrophobicContact CG2-CG 4.26Å; M151-P157 HydrophobicContact SD-CG 4.29Å; T155-P157 WeakPolarHBondContact O-CD 3.18Å
158Y97.7Very high95.3Very high44 Ų4435.4 Ų35.417%0.17319%0.186CC..EExtended strand (participates in β ladder)trans-62.7148.6162.1-63.3-19.4000110.1N125 L126 I127 L175 H178 A320N125-Y158 PolarHBondContact O-N 3.42Å; L126-Y158 WeakPolarHBondContact CA-O 3.2Å; I127-Y158 PolarHBondContact N-O 3.5Å; Y158-L175 HydrophobicContact CD1-CB 3.93Å; Y158-L175 HydrophobicContact CD1-CD2 4.16Å; Y158-L175 WeakPolarHBondContact CD1-O 3.46Å; Y158-L175 HydrophobicContact CD2-CD2 3.71Å; Y158-L175 HydrophobicContact CE1-CB 3.98Å; Y158-L175 WeakPolarHBondContact CE1-O 3.35Å; Y158-L175 HydrophobicContact CE2-CD2 4.33Å; Y158-L175 HydrophobicContact CG-CB 4.27Å; Y158-L175 HydrophobicContact CG-CD2 3.61Å; Y158-H178 AromaticContact CZ-ND1 3.6Å; Y158-H178 PolarHBondContact OH-ND1 2.87Å; Y158-A320 HydrophobicContact CD2-CB 4.26Å; Y158-A320 HydrophobicContact CE2-CB 4.14Å
159I98Very high95.4Very high2 Ų235.3 Ų35.31%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-120.7134176.2-61172.4000109.8I127 L129 C145 V148 D174I127-I159 WeakPolarHBondContact O-CA 3.5Å; L129-I159 HydrophobicContact CD1-CG2 3.74Å; C145-I159 HydrophobicContact CB-CD1 4.33Å; V148-I159 HydrophobicContact CB-CD1 3.33Å; V148-I159 HydrophobicContact CB-CG1 4.1Å; V148-I159 HydrophobicContact CG1-CD1 3.39Å; V148-I159 HydrophobicContact CG1-CG1 3.74Å; V148-I159 HydrophobicContact CG2-CD1 3.74Å; V148-I159 HydrophobicContact CG2-CG1 4.18Å; I159-D174 HydrophobicContact CB-CB 4.47Å; I159-D174 PolarHBondContact N-O 3.21Å; I159-D174 PolarHBondContact O-N 3.03Å
160I98.5Very high95.6Very high1 Ų134.8 Ų34.81%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-128.4132.3167.7-63.7178.1000107.9L126 I127 I128 L129 F172 I173 V313 I317L126-I160 HydrophobicContact CD1-CD1 3.96Å; L126-I160 HydrophobicContact CD1-CG1 4.01Å; I127-I160 PolarHBondContact O-N 3.48Å; I128-I160 CarbonylContact C-O 3.14Å; I128-I160 WeakPolarHBondContact CA-O 3.33Å; I128-I160 HydrophobicContact CG2-CB 4.49Å; I128-I160 HydrophobicContact CG2-CG2 4.44Å; L129-I160 PolarHBondContact N-O 2.82Å; I160-F172 CarbonylContact C-O 3.58Å; I160-F172 WeakPolarHBondContact CA-O 3.35Å; I160-I173 HydrophobicContact CG1-CB 4.48Å; I160-I173 HydrophobicContact CG1-CG1 4.15Å; I160-I173 HydrophobicContact CG1-CG2 4.14Å; I160-I173 HydrophobicContact CG2-CG1 4.38Å; I160-V313 HydrophobicContact CG2-CG1 3.69Å; I160-I317 HydrophobicContact CD1-CB 4.41Å; I160-I317 HydrophobicContact CD1-CD1 3.82Å; I160-I317 HydrophobicContact CD1-CG1 3.13Å
161C98.6Very high95.9Very high0 Ų029.6 Ų29.60%015%0.154CC..EExtended strand (participates in β ladder)trans-118.2134.4174.3-60.20000108.6L129 W141 A171 F172L129-C161 CarbonylContact O-C 3.44Å; L129-C161 VanDerWaalsContact O-CA 3.3Å; L129-C161 WeakPolarHBondContact O-CA 3.47Å; W141-C161 HydrophobicContact CD2-CB 3.4Å; W141-C161 VanDerWaalsContact CD2-CB 3.4Å; W141-C161 HydrophobicContact CE3-CB 3.3Å; W141-C161 HydrophobicContact CG-CB 4.16Å; W141-C161 HydrophobicContact CH2-CB 3.47Å; W141-C161 VanDerWaalsContact CH2-CB 3.47Å; W141-C161 HydrophobicContact CZ2-CB 3.59Å; W141-C161 HydrophobicContact CZ3-CB 3.33Å; C161-A171 CarbonylContact O-C 3.56Å; C161-A171 WeakPolarHBondContact O-CA 3.47Å; C161-A171 WeakPolarHBondContact O-CB 3.3Å; C161-F172 HydrophobicContact CB-CB 4.35Å; C161-F172 PolarHBondContact N-O 3.16Å; C161-F172 PolarHBondContact O-N 2.91Å
162A98.6Very high96.1Very high0 Ų029.3 Ų29.30%015%0.152CC..EExtended strand (participates in β ladder)trans-144.7144.317900000112.1L47 L129 V130 T131 W141 L170 A171L47-A162 HydrophobicContact CD2-CB 3.71Å; L129-A162 PolarHBondContact O-N 3.33Å; V130-A162 WeakPolarHBondContact CA-O 3.29Å; T131-A162 PolarHBondContact N-O 3.06Å; W141-A162 VanDerWaalsContact CZ2-N 3.34Å; A162-L170 CarbonylContact C-O 3.6Å; A162-L170 VanDerWaalsContact CA-O 3.3Å; A162-L170 WeakPolarHBondContact CA-O 3.35Å; A162-A171 HydrophobicContact CB-CB 4.05Å
163S98.1Very high96.4Very high1 Ų125 Ų251%0.00713%0.129CC..EExtended strand (participates in β ladder)trans-151.2151.4179.6-167.90000110.9T131 E132 C133 G169 L170T131-S163 PolarHBondContact O-OG 3.46Å; E132-S163 PolarHBondContact O-OG 3Å; C133-S163 PolarHBondContact N-OG 3.19Å; C133-S163 PolarHBondContact SG-OG 2.97Å; S163-G169 CarbonylContact O-C 3.47Å; S163-G169 WeakPolarHBondContact O-CA 3.4Å; S163-L170 PolarHBondContact N-O 3.07Å; S163-L170 PolarHBondContact O-N 3.04Å
164V97.2Very high96.7Very high9 Ų919.9 Ų19.96%0.05510%0.103CC..EExtended strand (participates in β ladder)trans-136.4145.8179.5-72.30000110.4L47 F168 T301 V305 N306 L309L47-V164 HydrophobicContact CB-CG2 4.11Å; L47-V164 HydrophobicContact CD1-CG1 4.42Å; L47-V164 HydrophobicContact CD2-CG1 3.87Å; L47-V164 HydrophobicContact CD2-CG2 4.34Å; V164-F168 WeakPolarHBondContact CA-O 3.43Å; V164-T301 HydrophobicContact CB-CG2 4.06Å; V164-T301 HydrophobicContact CG2-CG2 3.8Å; V164-V305 HydrophobicContact CB-CG1 4.22Å; V164-V305 HydrophobicContact CG1-CG1 3.73Å; V164-N306 WeakPolarHBondContact CG2-OD1 3.15Å; V164-L309 HydrophobicContact CG1-CD2 3.72Å
165T96.5Very high97.1Very high12 Ų1213.3 Ų13.37%0.0747%0.068CC..EExtended strand (participates in β ladder)trans-156137.8173.5-173.30000109.7C133 L167 F168 L256 C297C133-T165 HydrophobicContact CB-CG2 4.06Å; T165-L167 PolarHBondContact O-N 3.43Å; T165-F168 PolarHBondContact N-O 3.34Å; T165-F168 WeakPolarHBondContact O-CA 3.44Å; T165-F168 PolarHBondContact O-N 3.38Å; T165-F168 VanDerWaalsContact O-O 3.05Å; T165-L256 HydrophobicContact CG2-CD1 3.8Å; T165-L256 HydrophobicContact CG2-CD2 3.82Å; T165-L256 HydrophobicContact CG2-CG 4.48Å; T165-C297 HydrophobicContact CG2-CB 4.1Å; T165-C297 PolarHBondContact OG1-O 2.82Å
166G96.6Very high97.3Very high1 Ų110.7 Ų10.71%0.016%0.056CC..THydrogen-bonded Turntrans54-122-174.700000112.1C298 I302G166-C298 WeakPolarHBondContact CA-O 3.38Å; G166-I302 PolarHBondContact O-N 2.88Å
167L97.2Very high97.2Very high61 Ų6111 Ų1132%0.3197%0.068SC..THydrogen-bonded Turntrans-97.60.9172.3-73.1171.4000113.7T165 C296 I302 V305 G336T165-L167 PolarHBondContact O-N 3.43Å; L167-C296 CarbonylContact C-O 3.57Å; L167-C296 WeakPolarHBondContact CA-O 3.34Å; L167-C296 HydrophobicContact CB-CB 4.33Å; L167-C296 WeakPolarHBondContact CB-O 3.44Å; L167-C296 PolarHBondContact N-O 3.48Å; L167-I302 HydrophobicContact CD2-CB 3.83Å; L167-I302 HydrophobicContact CD2-CG1 3.66Å; L167-I302 HydrophobicContact CD2-CG2 4.06Å; L167-I302 HydrophobicContact CG-CG1 3.95Å; L167-V305 HydrophobicContact CD2-CG2 4.18Å; L167-G336 VanDerWaalsContact O-CA 3.29Å; L167-G336 WeakPolarHBondContact O-CA 3.27Å; L167-G336 PolarHBondContact O-N 3.19Å
168F98Very high97Very high2 Ų210.8 Ų10.81%0.0097%0.067CC..EExtended strand (participates in β ladder)trans-100145-177.2-177.4-110.4000111.9V164 T165 L170 L252 L256 C296 C297 F333 F334V164-F168 WeakPolarHBondContact CA-O 3.43Å; T165-F168 PolarHBondContact N-O 3.34Å; T165-F168 WeakPolarHBondContact O-CA 3.44Å; T165-F168 PolarHBondContact O-N 3.38Å; T165-F168 VanDerWaalsContact O-O 3.05Å; F168-L170 HydrophobicContact CD1-CD2 4.33Å; F168-L170 HydrophobicContact CE1-CB 4.14Å; F168-L170 HydrophobicContact CE1-CD2 3.64Å; F168-L170 HydrophobicContact CZ-CB 4.24Å; F168-L170 HydrophobicContact CZ-CD2 4.49Å; F168-L252 HydrophobicContact CD2-CD1 3.89Å; F168-L252 HydrophobicContact CE1-CB 4.12Å; F168-L252 HydrophobicContact CE2-CB 4.3Å; F168-L252 HydrophobicContact CE2-CD1 3.77Å; F168-L252 HydrophobicContact CG-CD1 4.5Å; F168-L252 HydrophobicContact CZ-CB 3.91Å; F168-L252 HydrophobicContact CZ-CD1 4.26Å; F168-L256 HydrophobicContact CD1-CD1 3.73Å; F168-L256 HydrophobicContact CE1-CD1 3.81Å; F168-C296 PolarHBondContact N-O 2.99Å; F168-C296 VanDerWaalsContact N-O 3.11Å; F168-C297 VanDerWaalsContact CB-SG 3.54Å; F168-F333 HydrophobicContact CE2-CB 4.29Å; F168-F333 AromaticContact CZ-CD1 3.96Å; F168-F333 HydrophobicContact CZ-CD1 3.96Å; F168-F334 WeakPolarHBondContact CA-O 3.27Å; F168-F334 WeakPolarHBondContact CD2-O 3.23Å
169G97.9Very high96.8Very high0 Ų011.9 Ų11.90%07%0.074CC..EExtended strand (participates in β ladder)trans-140.3148.717200000111.2S163 F333 F334S163-G169 CarbonylContact O-C 3.47Å; S163-G169 WeakPolarHBondContact O-CA 3.4Å; G169-F333 CarbonylContact O-C 3.59Å; G169-F334 PolarHBondContact N-O 3.31Å; G169-F334 PolarHBondContact O-N 2.67Å
170L98.1Very high96.5Very high0 Ų012 Ų120%08%0.075CC..EExtended strand (participates in β ladder)trans-136.3149.4173.469.5123.4000111.5F138 W141 A162 S163 F168 M253 L256 W331 Y332 F333F138-L170 HydrophobicContact CE1-CD1 4.02Å; F138-L170 HydrophobicContact CZ-CD1 4.13Å; F138-L170 HydrophobicContact CZ-CD2 4.11Å; W141-L170 HydrophobicContact CH2-CD1 3.63Å; W141-L170 HydrophobicContact CH2-CG 4.41Å; W141-L170 HydrophobicContact CZ3-CD1 3.77Å; A162-L170 CarbonylContact C-O 3.6Å; A162-L170 VanDerWaalsContact CA-O 3.3Å; A162-L170 WeakPolarHBondContact CA-O 3.35Å; S163-L170 PolarHBondContact N-O 3.07Å; S163-L170 PolarHBondContact O-N 3.04Å; F168-L170 HydrophobicContact CD1-CD2 4.33Å; F168-L170 HydrophobicContact CE1-CB 4.14Å; F168-L170 HydrophobicContact CE1-CD2 3.64Å; F168-L170 HydrophobicContact CZ-CB 4.24Å; F168-L170 HydrophobicContact CZ-CD2 4.49Å; L170-M253 HydrophobicContact CD1-CG 4.01Å; L170-L256 HydrophobicContact CD2-CD1 4.4Å; L170-W331 HydrophobicContact CD1-CZ3 4.23Å; L170-Y332 CarbonylContact C-O 3.49Å; L170-Y332 VanDerWaalsContact CA-O 3.23Å; L170-Y332 WeakPolarHBondContact CA-O 3.34Å; L170-F333 HydrophobicContact CB-CD1 3.96Å; L170-F333 HydrophobicContact CB-CE1 4.26Å
171A98.4Very high96.1Very high0 Ų014.6 Ų14.60%09%0.088CC..EExtended strand (participates in β ladder)trans-139.6146.6166.100000111.5C161 A162 L309 V313 W331 Y332C161-A171 CarbonylContact O-C 3.56Å; C161-A171 WeakPolarHBondContact O-CA 3.47Å; C161-A171 WeakPolarHBondContact O-CB 3.3Å; A162-A171 HydrophobicContact CB-CB 4.05Å; A171-L309 HydrophobicContact CB-CD1 4.35Å; A171-V313 HydrophobicContact CB-CG2 3.59Å; A171-W331 WeakPolarHBondContact O-CA 3.39Å; A171-Y332 PolarHBondContact N-O 2.82Å; A171-Y332 PolarHBondContact O-N 3.33Å
172F97.9Very high95.2Very high0 Ų015 Ų150%09%0.092CC..EExtended strand (participates in β ladder)trans-120.8136.4171.3170.8-101.9000108.9W141 I160 C161 D174 C224 L226 N330 W331W141-F172 HydrophobicContact CZ3-CB 4.39Å; I160-F172 CarbonylContact C-O 3.58Å; I160-F172 WeakPolarHBondContact CA-O 3.35Å; C161-F172 HydrophobicContact CB-CB 4.35Å; C161-F172 PolarHBondContact N-O 3.16Å; C161-F172 PolarHBondContact O-N 2.91Å; F172-D174 HydrophobicContact CE1-CB 3.74Å; F172-D174 HydrophobicContact CZ-CB 3.91Å; F172-C224 WeakPolarHBondContact CZ-O 3.44Å; F172-L226 HydrophobicContact CD1-CB 4.12Å; F172-L226 HydrophobicContact CD1-CD1 3.86Å; F172-L226 HydrophobicContact CD1-CG 4.44Å; F172-L226 HydrophobicContact CD2-CD1 4.19Å; F172-L226 HydrophobicContact CE1-CB 3.58Å; F172-L226 HydrophobicContact CE1-CD1 4.1Å; F172-L226 HydrophobicContact CE1-CG 4.37Å; F172-L226 HydrophobicContact CE2-CD1 4.39Å; F172-L226 HydrophobicContact CG-CD1 3.9Å; F172-L226 HydrophobicContact CZ-CB 3.89Å; F172-L226 HydrophobicContact CZ-CD1 4.36Å; F172-N330 CarbonylContact C-O 3.51Å; F172-N330 VanDerWaalsContact CA-O 3.3Å; F172-N330 WeakPolarHBondContact CA-O 3.49Å; F172-N330 WeakPolarHBondContact CD2-O 3.49Å; F172-W331 HydrophobicContact CB-CD2 4.34Å; F172-W331 HydrophobicContact CB-CE3 4.06Å; F172-W331 HydrophobicContact CB-CH2 4.02Å; F172-W331 HydrophobicContact CB-CZ2 4.31Å; F172-W331 HydrophobicContact CB-CZ3 3.89Å; F172-W331 AromaticContact CD2-CD2 3.85Å; F172-W331 HydrophobicContact CD2-CD2 3.85Å; F172-W331 AromaticContact CD2-CE2 3.38Å; F172-W331 HydrophobicContact CD2-CE3 4.4Å; F172-W331 HydrophobicContact CD2-CG 4.31Å; F172-W331 HydrophobicContact CD2-CH2 4.15Å; F172-W331 AromaticContact CD2-CZ2 3.57Å; F172-W331 HydrophobicContact CD2-CZ2 3.57Å; F172-W331 AromaticContact CD2-NE1 3.56Å; F172-W331 HydrophobicContact CE2-CZ2 4.21Å; F172-W331 AromaticContact CE2-NE1 3.82Å; F172-W331 HydrophobicContact CG-CH2 4.28Å; F172-W331 HydrophobicContact CG-CZ2 4.13Å
173I97.7Very high94.3Very high2 Ų220.9 Ų20.91%0.0112%0.119CC..EExtended strand (participates in β ladder)trans-124.7131.6-178.9-57-171.9000108.5I160 L175 Y223 E316 N330 Y332I160-I173 HydrophobicContact CG1-CB 4.48Å; I160-I173 HydrophobicContact CG1-CG1 4.15Å; I160-I173 HydrophobicContact CG1-CG2 4.14Å; I160-I173 HydrophobicContact CG2-CG1 4.38Å; I173-L175 HydrophobicContact CG2-CD1 4.37Å; I173-L175 HydrophobicContact CG2-CD2 3.58Å; I173-L175 HydrophobicContact CG2-CG 3.73Å; I173-Y223 HydrophobicContact CB-CE1 4.24Å; I173-Y223 HydrophobicContact CG2-CE1 3.87Å; I173-Y223 WeakPolarHBondContact O-CD1 3.3Å; I173-E316 HydrophobicContact CD1-CB 3.51Å; I173-E316 HydrophobicContact CD1-CG 3.8Å; I173-N330 PolarHBondContact N-O 3.15Å; I173-N330 WeakPolarHBondContact O-CB 3.42Å; I173-Y332 HydrophobicContact CD1-CD2 4.12Å; I173-Y332 HydrophobicContact CD1-CE2 3.51Å; I173-Y332 HydrophobicContact CG1-CD2 4.33Å; I173-Y332 HydrophobicContact CG1-CE2 4.01Å
174D96.3Very high93.3Very high8 Ų823 Ų234%0.04313%0.13CC..EExtended strand (participates in β ladder)trans-130.5109.5170.8-179.5-0.6000109.1I159 F172 G176 Y223I159-D174 HydrophobicContact CB-CB 4.47Å; I159-D174 PolarHBondContact N-O 3.21Å; I159-D174 PolarHBondContact O-N 3.03Å; F172-D174 HydrophobicContact CE1-CB 3.74Å; F172-D174 HydrophobicContact CZ-CB 3.91Å; D174-G176 PolarHBondContact OD1-N 3.49Å; D174-Y223 WeakPolarHBondContact OD1-CB 3.34Å
175L95.8Very high92.3Very high9 Ų927.3 Ų27.35%0.04716%0.156CC..  trans-105.28.5177.6-49-177.1000112.4Y158 I173 H178 Y223 A320Y158-L175 HydrophobicContact CD1-CB 3.93Å; Y158-L175 HydrophobicContact CD1-CD2 4.16Å; Y158-L175 WeakPolarHBondContact CD1-O 3.46Å; Y158-L175 HydrophobicContact CD2-CD2 3.71Å; Y158-L175 HydrophobicContact CE1-CB 3.98Å; Y158-L175 WeakPolarHBondContact CE1-O 3.35Å; Y158-L175 HydrophobicContact CE2-CD2 4.33Å; Y158-L175 HydrophobicContact CG-CB 4.27Å; Y158-L175 HydrophobicContact CG-CD2 3.61Å; I173-L175 HydrophobicContact CG2-CD1 4.37Å; I173-L175 HydrophobicContact CG2-CD2 3.58Å; I173-L175 HydrophobicContact CG2-CG 3.73Å; L175-H178 HydrophobicContact CB-CB 3.75Å; L175-H178 HydrophobicContact CD1-CB 4.23Å; L175-Y223 HydrophobicContact CB-CD2 3.72Å; L175-Y223 HydrophobicContact CB-CE2 3.7Å; L175-Y223 HydrophobicContact CB-CG 4.18Å; L175-Y223 HydrophobicContact CD1-CE1 4.43Å; L175-Y223 HydrophobicContact CD1-CE2 3.71Å; L175-Y223 WeakPolarHBondContact CD1-OH 3.4Å; L175-Y223 HydrophobicContact CG-CD1 4.49Å; L175-Y223 HydrophobicContact CG-CD2 4.2Å; L175-Y223 HydrophobicContact CG-CE1 4.07Å; L175-Y223 HydrophobicContact CG-CE2 3.77Å; L175-A320 HydrophobicContact CD1-CB 3.56Å; L175-A320 HydrophobicContact CD2-CB 3.98Å; L175-A320 HydrophobicContact CG-CB 4.44Å
176G93.3Very high91.3Very high18 Ų1829.9 Ų29.919%0.18617%0.172CC..SBendtrans58.1-137.9-170.400000113D174 H178 F221 Y223D174-G176 PolarHBondContact OD1-N 3.49Å; G176-H178 PolarHBondContact O-N 3.08Å; G176-F221 VanDerWaalsContact O-O 3.12Å; G176-Y223 WeakPolarHBondContact O-CD2 3.31Å; G176-Y223 PolarHBondContact O-N 2.94Å
177A92.5Very high90.2Very high56 Ų5634.7 Ų34.746%0.46320%0.201SC..EExtended strand (participates in β ladder)trans-82.588.4172.800000109.8T220A177-T220 HydrophobicContact CB-CG2 4.45Å
178H94.1Very high88.6Confident1 Ų136.1 Ų36.11%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-90.7117.1-171.6-177.462.8000112.5Y158 L175 G176 T220 F221 Y223 A320Y158-H178 AromaticContact CZ-ND1 3.6Å; Y158-H178 PolarHBondContact OH-ND1 2.87Å; L175-H178 HydrophobicContact CB-CB 3.75Å; L175-H178 HydrophobicContact CD1-CB 4.23Å; G176-H178 PolarHBondContact O-N 3.08Å; H178-T220 CarbonylContact O-C 3.58Å; H178-T220 WeakPolarHBondContact O-CA 3.12Å; H178-F221 PolarHBondContact N-O 3.04Å; H178-F221 PolarHBondContact O-N 3.16Å; H178-Y223 HydrophobicContact CB-CD2 4.26Å; H178-Y223 HydrophobicContact CB-CE2 4.04Å; H178-A320 PolarHBondContact CE1-O 3.32Å
179E93.5Very high86.6Confident67 Ų6745.9 Ų45.931%0.31325%0.247SC..EExtended strand (participates in β ladder)trans-94.5127.6174.2-58.4-169.4129.300112.2K218 K219 T220 R323E179-K218 VanDerWaalsContact OE1-CE 3.28Å; E179-K218 WeakPolarHBondContact OE1-CE 3.4Å; E179-K218 IonicContact OE1-NZ 2.71Å; E179-K218 PolarHBondContact OE1-NZ 2.95Å; E179-K218 WeakPolarHBondContact OE2-CE 3.14Å; E179-K218 IonicContact OE2-NZ 3.01Å; E179-K218 PolarHBondContact OE2-NZ 2.78Å; E179-K219 WeakPolarHBondContact CA-O 3.49Å; E179-T220 HydrophobicContact CG-CG2 4.23Å; E179-R323 VanDerWaalsContact O-CD 3.32Å; E179-R323 WeakPolarHBondContact O-CD 3.43Å; E179-R323 WeakPolarHBondContact O-CG 3.45Å
180C92.7Very high84.4Confident3 Ų355.6 Ų55.62%0.0228%0.284CS..EExtended strand (participates in β ladder)trans-139.3164.7176.770.50000113K218 K219 F221 R323 G325C180-K218 WeakPolarHBondContact O-CA 3.36Å; C180-K219 PolarHBondContact N-O 3.45Å; C180-K219 PolarHBondContact O-N 3.09Å; C180-F221 VanDerWaalsContact SG-CE2 3.57Å; C180-R323 HydrophobicContact CB-CB 4.42Å; C180-G325 PolarHBondContact SG-O 3.28Å
181L89.3Confident82Confident56 Ų5660.7 Ų60.729%0.29332%0.319SS..EExtended strand (participates in β ladder)trans-90.6116.9168-64.5173.2000109F216 K218 R323 K324 G325L181-F216 HydrophobicContact CB-CD1 4.5Å; L181-K218 HydrophobicContact CD2-CB 4.39Å; L181-R323 PolarHBondContact N-O 3.3Å; L181-K324 HydrophobicContact CB-CD 4.47Å; L181-K324 HydrophobicContact CD1-CD 4.3Å; L181-G325 WeakPolarHBondContact O-CA 3.43Å; L181-G325 PolarHBondContact O-N 3.29Å
182S80.6Confident79Confident10 Ų1069.9 Ų69.97%0.0736%0.364CS..EExtended strand (participates in β ladder)trans-101.9142.4173.5-174.70000110F216 V217S182-F216 CarbonylContact O-C 3.18Å; S182-F216 WeakPolarHBondContact O-CA 3.48Å; S182-V217 PolarHBondContact N-O 2.97Å; S182-V217 PolarHBondContact O-N 3.49Å
183E79.1Confident76.3Confident122 Ų12274 Ų7457%0.5740%0.398SS*.EExtended strand (participates in β ladder)trans-84118.5168.1-71.7-179.9-16700108.9T214 F216E183-T214 HydrophobicContact CB-CG2 3.76Å; E183-T214 HydrophobicContact CG-CG2 3.93Å; E183-F216 HydrophobicContact CG-CD1 3.72Å; E183-F216 HydrophobicContact CG-CE1 3.23Å; E183-F216 HydrophobicContact CG-CZ 3.75Å; E183-F216 VanDerWaalsContact OE1-CE1 3.25Å; E183-F216 WeakPolarHBondContact OE1-CE1 3.31Å; E183-F216 VanDerWaalsContact OE1-CZ 3.28Å; E183-F216 WeakPolarHBondContact OE1-CZ 3.5Å
184D76.9Confident73.5Confident46 Ų4677.2 Ų77.225%0.24643%0.432CS..EExtended strand (participates in β ladder)trans-110.6135.2171.8-72.5-23.3000109.3T214 V215 V217 K219D184-T214 WeakPolarHBondContact O-CA 3.35Å; D184-V215 PolarHBondContact N-O 2.59Å; D184-V215 PolarHBondContact O-N 3.03Å; D184-V217 HydrophobicContact CB-CG2 4.18Å; D184-K219 VanDerWaalsContact CG-NZ 3.31Å; D184-K219 IonicContact OD1-NZ 3.36Å; D184-K219 PolarHBondContact OD1-NZ 3.39Å; D184-K219 WeakPolarHBondContact OD2-CE 3.21Å; D184-K219 IonicContact OD2-NZ 2.79Å; D184-K219 PolarHBondContact OD2-NZ 3.04Å
185V75.1Confident70.3Confident99 Ų9984.7 Ų84.760%0.647%0.471SS*.EExtended strand (participates in β ladder)trans-93.3107.4177.5-178.20000108.5T212V185-T212 VanDerWaalsContact CG1-CB 3.46Å; V185-T212 HydrophobicContact CG1-CG2 3.69Å
186V77.1Confident67.5Low66 Ų6690.2 Ų90.240%0.451%0.507SS..EExtended strand (participates in β ladder)trans-104.5139.4-176.8-173.70000110T212 E213 V215V186-T212 CarbonylContact O-C 3.53Å; V186-T212 WeakPolarHBondContact O-CA 3.45Å; V186-E213 HydrophobicContact CB-CG 4.47Å; V186-E213 PolarHBondContact N-O 3.13Å; V186-E213 PolarHBondContact O-N 2.66Å; V186-V215 HydrophobicContact CG2-CB 4.5Å; V186-V215 HydrophobicContact CG2-CG2 4.12Å
187V71.9Confident64.5Low103 Ų10395.1 Ų95.162%0.62454%0.539SS*.EExtended strand (participates in β ladder)trans-77.3123.3173.9-176.30000110K189 N211 T212V187-K189 PolarHBondContact O-N 2.95Å; V187-N211 CarbonylContact C-O 3.46Å; V187-N211 WeakPolarHBondContact CA-O 3.22Å; V187-T212 HydrophobicContact CG2-CG2 4.2Å
188K65Low61.6Low90 Ų9095.9 Ų95.939%0.39155%0.552SS.*  trans-58.1117.9174.6-68.2179.5-179.2168.70109.8R190 N211 E213K188-R190 PolarHBondContact O-N 2.83Å; K188-R190 VanDerWaalsContact O-N 3.09Å; K188-N211 WeakPolarHBondContact CB-O 3.35Å; K188-N211 PolarHBondContact N-O 2.82Å; K188-E213 HydrophobicContact CG-CB 4.32Å; K188-E213 HydrophobicContact CG-CG 4.14Å
189K55.1Low58.5Low208 Ų208101.6 Ų101.690%0.90459%0.592SS**  trans-64.2112170.3-73.8-176.8178.9176.20108.5V187 S191V187-K189 PolarHBondContact O-N 2.95Å; K189-S191 PolarHBondContact O-N 2.76Å
190R52.1Low55.5Low204 Ų204105.8 Ų105.877%0.7762%0.615SS**  trans-61.7107.9169.3-79.7-179.2177.5172.6-1.7108.2K188 M192K188-R190 PolarHBondContact O-N 2.83Å; K188-R190 VanDerWaalsContact O-N 3.09Å; R190-M192 PolarHBondContact O-N 3.37Å
191S46.9Very low52.5Low107 Ų107114.4 Ų114.475%0.74866%0.655SS**  trans-61.9108.6167.1550000108K189 A193K189-S191 PolarHBondContact O-N 2.76Å; S191-A193 PolarHBondContact O-N 2.82Å
192M36.6Very low49.6Very low193 Ų193120.8 Ų120.895%0.95168%0.68SS**  trans-68.279.4167.1-73.2-133.8-61.600108.8R190R190-M192 PolarHBondContact O-N 3.37Å
193A41.5Very low47.1Very low85 Ų85127.6 Ų127.670%0.70271%0.714SS**  trans-87.5114.1165.100000107.3S191S191-A193 PolarHBondContact O-N 2.82Å
194G37.7Very low44.8Very low70 Ų70128.3 Ų128.372%0.72272%0.722SS**  trans-53141.8-173.800000113.9P196G194-P196 WeakPolarHBondContact O-CD 3.32Å
195L30.4Very low42.7Very low165 Ų165136.3 Ų136.386%0.86476%0.755SS**  trans-63.8139.5171.5-72.191.9000111.1
196P35.9Very low40.7Very low125 Ų125137 Ų13781%0.81276%0.759SS**  trans-108.5121.41379.210.3000108.9G194 G198G194-P196 WeakPolarHBondContact O-CD 3.32Å; P196-G198 PolarHBondContact O-N 3.09Å
197S31.1Very low38.9Very low122 Ų122139.1 Ų139.185%0.85378%0.777SS**  trans-53.8119.9176.8-58.70000112.3
198G30.5Very low37.6Very low71 Ų71143.1 Ų143.173%0.73279%0.789SS**  trans-16795.2173.200000110.4P196 I200P196-G198 PolarHBondContact O-N 3.09Å; G198-I200 PolarHBondContact O-N 3.29Å
199S29.7Very low37Very low122 Ų122143.8 Ų143.885%0.85380%0.802SS**  trans-58.1119.6-174.447.20000114.8
200I30.3Very low37.2Very low154 Ų154137.4 Ų137.479%0.7978%0.784SS**  trans-140.5111.7153-58.5-178000109G198 K202G198-I200 PolarHBondContact O-N 3.29Å; I200-K202 PolarHBondContact O-N 3.22Å
201Q29.5Very low38.4Very low185 Ų185131.9 Ų131.986%0.86477%0.77SS**  trans-68.7121.4168-72.6174.73.900109.6
202K28.7Very low39.7Very low189 Ų189129.4 Ų129.482%0.82275%0.75SS**  trans-140103.4155.2-99.7-178.9-179.5176.30109.2I200 N204I200-K202 PolarHBondContact O-N 3.22Å; K202-N204 PolarHBondContact O-N 2.97Å
203I28.8Very low41.7Very low153 Ų153124.7 Ų124.779%0.78573%0.726SS**  trans-66.9116165.1-63.1159.8000106.5
204N31.1Very low43.4Very low138 Ų138124.5 Ų124.574%0.73872%0.716SS**  trans-148.8122.5155.3-93.3-22.3000107.3K202 T206K202-N204 PolarHBondContact O-N 2.97Å; N204-T206 VanDerWaalsContact C-N 3.35Å; N204-T206 PolarHBondContact O-N 3.28Å
205K31.8Very low45.6Very low214 Ų214123.9 Ų123.993%0.9370%0.698SS**  trans-56.992.3179.4-68.2175175.2178.90109.8
206T32.2Very low48Very low113 Ų113121.5 Ų121.569%0.69368%0.681SS**  trans-95.1118.4167.145.40000107.2N204 E208N204-T206 VanDerWaalsContact C-N 3.35Å; N204-T206 PolarHBondContact O-N 3.28Å; T206-E208 PolarHBondContact O-N 3.35Å
207S40.8Very low50.5Low111 Ų111118 Ų11878%0.77666%0.658SS**  trans-33.1122.6157.532.80000108.7P209S207-P209 VanDerWaalsContact O-CD 3.27Å; S207-P209 WeakPolarHBondContact O-CD 3.3Å
208E43.2Very low53.3Low187 Ų187118.2 Ų118.287%0.87464%0.643SS**  trans-50.4115.7-180-71.7-175.9162.600107.9T206 S210T206-E208 PolarHBondContact O-N 3.35Å; E208-S210 PolarHBondContact O-N 3.03Å; E208-S210 VanDerWaalsContact O-N 3.14Å
209P53Low56.3Low103 Ų103118.1 Ų118.167%0.66962%0.623SS**  trans-61.7125.9178.810.8-10.6000106.5S207 N211S207-P209 VanDerWaalsContact O-CD 3.27Å; S207-P209 WeakPolarHBondContact O-CD 3.3Å; P209-N211 PolarHBondContact O-N 3.04Å; P209-N211 VanDerWaalsContact O-N 3.07Å
210S60Low59.3Low74 Ų74115.8 Ų115.852%0.51760%0.603SS.*  trans-51.5123.8178.564.30000108.3E208 T212E208-S210 PolarHBondContact O-N 3.03Å; E208-S210 VanDerWaalsContact O-N 3.14Å; S210-T212 PolarHBondContact O-N 3.3Å; S210-T212 PolarHBondContact OG-O 3.22Å
211N77.2Confident62.2Low88 Ų88110.2 Ų110.247%0.47157%0.573SS.*SBendtrans-68.31.9173.4-78.1-25.1000111.3V187 K188 P209V187-N211 CarbonylContact C-O 3.46Å; V187-N211 WeakPolarHBondContact CA-O 3.22Å; K188-N211 WeakPolarHBondContact CB-O 3.35Å; K188-N211 PolarHBondContact N-O 2.82Å; P209-N211 PolarHBondContact O-N 3.04Å; P209-N211 VanDerWaalsContact O-N 3.07Å
212T73.2Confident65.2Low55 Ų55106.7 Ų106.734%0.33756%0.56SS.*EExtended strand (participates in β ladder)trans-110.7147.617653.70000111.3V185 V186 V187 S210V185-T212 VanDerWaalsContact CG1-CB 3.46Å; V185-T212 HydrophobicContact CG1-CG2 3.69Å; V186-T212 CarbonylContact O-C 3.53Å; V186-T212 WeakPolarHBondContact O-CA 3.45Å; V187-T212 HydrophobicContact CG2-CG2 4.2Å; S210-T212 PolarHBondContact O-N 3.3Å; S210-T212 PolarHBondContact OG-O 3.22Å
213E79.6Confident68.3Low94 Ų9498.4 Ų98.444%0.43952%0.524SS..EExtended strand (participates in β ladder)trans-122.8141.716759-171.2-172.100109.6V186 K188 V215V186-E213 HydrophobicContact CB-CG 4.47Å; V186-E213 PolarHBondContact N-O 3.13Å; V186-E213 PolarHBondContact O-N 2.66Å; K188-E213 HydrophobicContact CG-CB 4.32Å; K188-E213 HydrophobicContact CG-CG 4.14Å; E213-V215 HydrophobicContact CG-CG2 4.12Å
214T77Confident71.3Confident81 Ų8192.4 Ų92.450%0.49750%0.495SS..EExtended strand (participates in β ladder)trans-86.3122.8172.9-52.90000108.4E183 D184E183-T214 HydrophobicContact CB-CG2 3.76Å; E183-T214 HydrophobicContact CG-CG2 3.93Å; D184-T214 WeakPolarHBondContact O-CA 3.35Å
215V82.9Confident74.3Confident58 Ų5890.3 Ų90.335%0.35248%0.477SS..EExtended strand (participates in β ladder)trans-115.5136.1176.7-173.90000108.4D184 V186 E213 V217D184-V215 PolarHBondContact N-O 2.59Å; D184-V215 PolarHBondContact O-N 3.03Å; V186-V215 HydrophobicContact CG2-CB 4.5Å; V186-V215 HydrophobicContact CG2-CG2 4.12Å; E213-V215 HydrophobicContact CG-CG2 4.12Å; V215-V217 HydrophobicContact CG1-CG2 4.31Å
216F81.8Confident77.3Confident114 Ų11480.3 Ų80.350%0.543%0.434SS..EExtended strand (participates in β ladder)trans-83.6116.5170.9-70.9-83.3000109.5L181 S182 E183L181-F216 HydrophobicContact CB-CD1 4.5Å; S182-F216 CarbonylContact O-C 3.18Å; S182-F216 WeakPolarHBondContact O-CA 3.48Å; E183-F216 HydrophobicContact CG-CD1 3.72Å; E183-F216 HydrophobicContact CG-CE1 3.23Å; E183-F216 HydrophobicContact CG-CZ 3.75Å; E183-F216 VanDerWaalsContact OE1-CE1 3.25Å; E183-F216 WeakPolarHBondContact OE1-CE1 3.31Å; E183-F216 VanDerWaalsContact OE1-CZ 3.28Å; E183-F216 WeakPolarHBondContact OE1-CZ 3.5Å
217V87.5Confident80.2Confident52 Ų5279 Ų7932%0.31542%0.422SS..EExtended strand (participates in β ladder)trans-111.9133.4179.3-1760000108.7S182 D184 V215 K219S182-V217 PolarHBondContact N-O 2.97Å; S182-V217 PolarHBondContact O-N 3.49Å; D184-V217 HydrophobicContact CB-CG2 4.18Å; V215-V217 HydrophobicContact CG1-CG2 4.31Å; V217-K219 HydrophobicContact CG1-CG 4.39Å; V217-K219 PolarHBondContact O-N 3.37Å
218K91Very high82.6Confident127 Ų12777.3 Ų77.355%0.55240%0.404SS*.EExtended strand (participates in β ladder)trans-74.5123170.6-169-177.8-178.7-164.80108.5E179 C180 L181E179-K218 VanDerWaalsContact OE1-CE 3.28Å; E179-K218 WeakPolarHBondContact OE1-CE 3.4Å; E179-K218 IonicContact OE1-NZ 2.71Å; E179-K218 PolarHBondContact OE1-NZ 2.95Å; E179-K218 WeakPolarHBondContact OE2-CE 3.14Å; E179-K218 IonicContact OE2-NZ 3.01Å; E179-K218 PolarHBondContact OE2-NZ 2.78Å; C180-K218 WeakPolarHBondContact O-CA 3.36Å; L181-K218 HydrophobicContact CD2-CB 4.39Å
219K92.2Very high84.9Confident69 Ų6968.4 Ų68.430%0.336%0.363SS..EExtended strand (participates in β ladder)trans-122.9153.5176.2-67.2-173.2-177170.10110E179 C180 D184 V217 F221E179-K219 WeakPolarHBondContact CA-O 3.49Å; C180-K219 PolarHBondContact N-O 3.45Å; C180-K219 PolarHBondContact O-N 3.09Å; D184-K219 VanDerWaalsContact CG-NZ 3.31Å; D184-K219 IonicContact OD1-NZ 3.36Å; D184-K219 PolarHBondContact OD1-NZ 3.39Å; D184-K219 WeakPolarHBondContact OD2-CE 3.21Å; D184-K219 IonicContact OD2-NZ 2.79Å; D184-K219 PolarHBondContact OD2-NZ 3.04Å; V217-K219 HydrophobicContact CG1-CG 4.39Å; V217-K219 PolarHBondContact O-N 3.37Å; K219-F221 HydrophobicContact CB-CD2 4.46Å; K219-F221 HydrophobicContact CB-CE2 3.78Å; K219-F221 HydrophobicContact CB-CZ 4.37Å; K219-F221 HydrophobicContact CD-CZ 4.36Å
220T92.9Very high86.8Confident72 Ų7265.1 Ų65.144%0.44234%0.339SS..EExtended strand (participates in β ladder)trans-120.9126175.5-54.20000108.5A177 H178 E179A177-T220 HydrophobicContact CB-CG2 4.45Å; H178-T220 CarbonylContact O-C 3.58Å; H178-T220 WeakPolarHBondContact O-CA 3.12Å; E179-T220 HydrophobicContact CG-CG2 4.23Å
221F92.4Very high88.2Confident37 Ų3765 Ų6516%0.16234%0.337CS..EExtended strand (participates in β ladder)trans-110.3127.3177.3-66.8-93.9000108.8G176 H178 C180 K219 Y223 A326 P327 W345G176-F221 VanDerWaalsContact O-O 3.12Å; H178-F221 PolarHBondContact N-O 3.04Å; H178-F221 PolarHBondContact O-N 3.16Å; C180-F221 VanDerWaalsContact SG-CE2 3.57Å; K219-F221 HydrophobicContact CB-CD2 4.46Å; K219-F221 HydrophobicContact CB-CE2 3.78Å; K219-F221 HydrophobicContact CB-CZ 4.37Å; K219-F221 HydrophobicContact CD-CZ 4.36Å; F221-Y223 HydrophobicContact CB-CE2 4.17Å; F221-A326 HydrophobicContact CE2-CB 4.12Å; F221-A326 HydrophobicContact CZ-CB 3.73Å; F221-P327 HydrophobicContact CD2-CG 4.15Å; F221-P327 HydrophobicContact CG-CG 4.23Å; F221-W345 HydrophobicContact CB-CH2 4.17Å; F221-W345 HydrophobicContact CD1-CH2 4.04Å; F221-W345 AromaticContact CD1-CZ2 3.93Å; F221-W345 HydrophobicContact CD1-CZ2 3.93Å; F221-W345 HydrophobicContact CE1-CZ2 4.48Å; F221-W345 HydrophobicContact CG-CH2 4.43Å
222N92.5Very high88.6Confident111 Ų11164.3 Ų64.359%0.59433%0.333SS*.EExtended strand (participates in β ladder)trans-100.1103.5-178.4-65.7-59.5000109.8
223Y93.8Very high89.4Confident16 Ų1661.8 Ų61.86%0.06332%0.318CS..PPolyproline II helixtrans-73.1133179.1-79.2-104.1000111.7I173 D174 L175 G176 H178 F221 P327 N330 W345I173-Y223 HydrophobicContact CB-CE1 4.24Å; I173-Y223 HydrophobicContact CG2-CE1 3.87Å; I173-Y223 WeakPolarHBondContact O-CD1 3.3Å; D174-Y223 WeakPolarHBondContact OD1-CB 3.34Å; L175-Y223 HydrophobicContact CB-CD2 3.72Å; L175-Y223 HydrophobicContact CB-CE2 3.7Å; L175-Y223 HydrophobicContact CB-CG 4.18Å; L175-Y223 HydrophobicContact CD1-CE1 4.43Å; L175-Y223 HydrophobicContact CD1-CE2 3.71Å; L175-Y223 WeakPolarHBondContact CD1-OH 3.4Å; L175-Y223 HydrophobicContact CG-CD1 4.49Å; L175-Y223 HydrophobicContact CG-CD2 4.2Å; L175-Y223 HydrophobicContact CG-CE1 4.07Å; L175-Y223 HydrophobicContact CG-CE2 3.77Å; G176-Y223 WeakPolarHBondContact O-CD2 3.31Å; G176-Y223 PolarHBondContact O-N 2.94Å; H178-Y223 HydrophobicContact CB-CD2 4.26Å; H178-Y223 HydrophobicContact CB-CE2 4.04Å; F221-Y223 HydrophobicContact CB-CE2 4.17Å; Y223-P327 HydrophobicContact CE2-CG 4.23Å; Y223-P327 WeakPolarHBondContact OH-CB 3.49Å; Y223-P327 VanDerWaalsContact OH-CG 3.32Å; Y223-P327 WeakPolarHBondContact OH-CG 3.45Å; Y223-N330 HydrophobicContact CD1-CB 3.71Å; Y223-N330 HydrophobicContact CE1-CB 3.84Å; Y223-W345 HydrophobicContact CD1-CZ3 4.06Å; Y223-W345 HydrophobicContact CD2-CH2 4.39Å; Y223-W345 HydrophobicContact CD2-CZ3 4.29Å; Y223-W345 AromaticContact CE1-CH2 4Å; Y223-W345 HydrophobicContact CE1-CH2 4Å; Y223-W345 AromaticContact CE1-CZ3 3.9Å; Y223-W345 HydrophobicContact CE1-CZ3 3.9Å; Y223-W345 AromaticContact CE2-CH2 3.78Å; Y223-W345 HydrophobicContact CE2-CH2 3.78Å; Y223-W345 HydrophobicContact CE2-CZ3 4.11Å; Y223-W345 HydrophobicContact CG-CZ3 4.29Å; Y223-W345 AromaticContact CZ-CH2 3.59Å; Y223-W345 AromaticContact CZ-CZ3 3.93Å
224C92.2Very high89.7Confident26 Ų2659.5 Ų59.518%0.17631%0.312CS..PPolyproline II helixtrans-77.4132.4170.8-167.90000109.9F172 S229F172-C224 WeakPolarHBondContact CZ-O 3.44Å; C224-S229 PolarHBondContact SG-N 3.41Å; C224-S229 VanDerWaalsContact SG-N 3.39Å
225R93.7Very high90.2Very high94 Ų9459 Ų5936%0.35531%0.306SS..PPolyproline II helixtrans-64.4154.2178.2-60174-178.9171.7-0.6110.6L227 D228 S229R225-L227 PolarHBondContact O-N 2.91Å; R225-D228 HydrophobicContact CB-CB 4.34Å; R225-D228 WeakPolarHBondContact CD-OD2 3.29Å; R225-D228 PolarHBondContact O-N 2.83Å; R225-S229 WeakPolarHBondContact O-CB 3.12Å; R225-S229 PolarHBondContact O-N 3.41Å
226L94.5Very high90.3Very high5 Ų558.8 Ų58.83%0.02631%0.305CS..Hα-helixtrans-52.1-53.3-176.5-179.961000113W141 C145 F172 D228 S229 L230 W331W141-L226 HydrophobicContact CB-CD2 3.91Å; W141-L226 HydrophobicContact CE3-CD2 4.49Å; C145-L226 HydrophobicContact CB-CB 4.14Å; C145-L226 HydrophobicContact CB-CD2 4.24Å; F172-L226 HydrophobicContact CD1-CB 4.12Å; F172-L226 HydrophobicContact CD1-CD1 3.86Å; F172-L226 HydrophobicContact CD1-CG 4.44Å; F172-L226 HydrophobicContact CD2-CD1 4.19Å; F172-L226 HydrophobicContact CE1-CB 3.58Å; F172-L226 HydrophobicContact CE1-CD1 4.1Å; F172-L226 HydrophobicContact CE1-CG 4.37Å; F172-L226 HydrophobicContact CE2-CD1 4.39Å; F172-L226 HydrophobicContact CG-CD1 3.9Å; F172-L226 HydrophobicContact CZ-CB 3.89Å; F172-L226 HydrophobicContact CZ-CD1 4.36Å; L226-D228 PolarHBondContact O-N 2.88Å; L226-S229 PolarHBondContact O-N 3.17Å; L226-L230 HydrophobicContact CD1-CD1 4.31Å; L226-L230 HydrophobicContact CD1-CG 4.4Å; L226-L230 HydrophobicContact CG-CD1 4.37Å; L226-L230 VanDerWaalsContact O-CG 3.3Å; L226-L230 WeakPolarHBondContact O-CG 3.27Å; L226-L230 PolarHBondContact O-N 3.23Å; L226-W331 HydrophobicContact CD1-CH2 3.72Å; L226-W331 HydrophobicContact CD1-CZ2 3.69Å
227L92.1Very high90.6Very high84 Ų8453.4 Ų53.444%0.4428%0.282SS..Hα-helixtrans-66.9-37.6-177-68179.6000112.4R225 C231R225-L227 PolarHBondContact O-N 2.91Å; L227-C231 WeakPolarHBondContact O-CB 3.38Å; L227-C231 PolarHBondContact O-N 3.17Å
228D91.8Very high90.4Very high77 Ų7758.3 Ų58.341%0.41230%0.299SS..Hα-helixtrans-67-44177.2-63-30.1000110.3R225 L226 L230 C231 L232R225-D228 HydrophobicContact CB-CB 4.34Å; R225-D228 WeakPolarHBondContact CD-OD2 3.29Å; R225-D228 PolarHBondContact O-N 2.83Å; L226-D228 PolarHBondContact O-N 2.88Å; D228-L230 PolarHBondContact O-N 2.97Å; D228-C231 PolarHBondContact O-N 2.81Å; D228-L232 WeakPolarHBondContact O-CB 3.33Å; D228-L232 WeakPolarHBondContact O-CG 3.38Å; D228-L232 PolarHBondContact O-N 3.3Å
229S91.6Very high90.1Very high0 Ų055.7 Ų55.70%029%0.291CS..Hα-helixtrans-56.9-49.7175.7178.80000111.1C224 R225 L226 C231 L232 I233 W331 L346C224-S229 PolarHBondContact SG-N 3.41Å; C224-S229 VanDerWaalsContact SG-N 3.39Å; R225-S229 WeakPolarHBondContact O-CB 3.12Å; R225-S229 PolarHBondContact O-N 3.41Å; L226-S229 PolarHBondContact O-N 3.17Å; S229-C231 PolarHBondContact O-N 3.49Å; S229-L232 PolarHBondContact O-N 3.11Å; S229-I233 WeakPolarHBondContact O-CD1 3.38Å; S229-I233 WeakPolarHBondContact O-CG1 3.32Å; S229-I233 PolarHBondContact O-N 3.17Å; S229-W331 PolarHBondContact OG-NE1 3.41Å; S229-L346 PolarHBondContact OG-O 3.04Å
230L92.1Very high89.3Confident34 Ų3460.2 Ų60.218%0.17831%0.306CS..Hα-helixtrans-61.6-41.7177-64.9177.9000112.5L226 D228 S234 Y250 M253 W331L226-L230 HydrophobicContact CD1-CD1 4.31Å; L226-L230 HydrophobicContact CD1-CG 4.4Å; L226-L230 HydrophobicContact CG-CD1 4.37Å; L226-L230 VanDerWaalsContact O-CG 3.3Å; L226-L230 WeakPolarHBondContact O-CG 3.27Å; L226-L230 PolarHBondContact O-N 3.23Å; D228-L230 PolarHBondContact O-N 2.97Å; L230-S234 WeakPolarHBondContact O-CB 3.49Å; L230-S234 PolarHBondContact O-N 3.01Å; L230-Y250 HydrophobicContact CD2-CE2 3.94Å; L230-M253 HydrophobicContact CD2-CE 3.59Å; L230-M253 HydrophobicContact CD2-SD 4.3Å; L230-W331 HydrophobicContact CD2-CH2 4.28Å; L230-W331 HydrophobicContact CD2-CZ2 4.09Å
231C89.5Confident88.7Confident70 Ų7059.8 Ų59.847%0.47331%0.306SS..Hα-helixtrans-64.8-44.7177.7-1750000111.8L227 D228 S229 S234 N235L227-C231 WeakPolarHBondContact O-CB 3.38Å; L227-C231 PolarHBondContact O-N 3.17Å; D228-C231 PolarHBondContact O-N 2.81Å; S229-C231 PolarHBondContact O-N 3.49Å; C231-S234 PolarHBondContact O-N 2.86Å; C231-N235 PolarHBondContact O-N 2.86Å; C231-N235 PolarHBondContact O-ND2 3.5Å; C231-N235 VanDerWaalsContact O-ND2 3.15Å
232L87.1Confident88.3Confident74 Ų7461.4 Ų61.439%0.38731%0.314SS..Hα-helixtrans-65.6-42.9179.9-70.6169000111.3D228 S229 N235 T236 P347D228-L232 WeakPolarHBondContact O-CB 3.33Å; D228-L232 WeakPolarHBondContact O-CG 3.38Å; D228-L232 PolarHBondContact O-N 3.3Å; S229-L232 PolarHBondContact O-N 3.11Å; L232-N235 PolarHBondContact O-N 3.08Å; L232-T236 PolarHBondContact O-N 2.75Å; L232-T236 PolarHBondContact O-OG1 3.19Å; L232-T236 VanDerWaalsContact O-OG1 3.07Å; L232-P347 HydrophobicContact CB-CB 4.38Å; L232-P347 HydrophobicContact CB-CG 4.43Å; L232-P347 HydrophobicContact CD1-CB 4.47Å; L232-P347 HydrophobicContact CD1-CG 3.74Å
233I88.5Confident87.9Confident3 Ų356.4 Ų56.42%0.01529%0.288CS..Hα-helixtrans-62.9-44.9175-60.2158.5000110.4S229 N235 T236 L237 I246 Y250 L346S229-I233 WeakPolarHBondContact O-CD1 3.38Å; S229-I233 WeakPolarHBondContact O-CG1 3.32Å; S229-I233 PolarHBondContact O-N 3.17Å; I233-N235 VanDerWaalsContact C-N 3.27Å; I233-N235 PolarHBondContact O-N 2.84Å; I233-T236 WeakPolarHBondContact O-CB 3.35Å; I233-T236 PolarHBondContact O-N 2.95Å; I233-T236 VanDerWaalsContact O-N 3.13Å; I233-L237 HydrophobicContact CG2-CD1 4.29Å; I233-L237 HydrophobicContact CG2-CG 4.46Å; I233-L237 WeakPolarHBondContact O-CG 3.45Å; I233-L237 PolarHBondContact O-N 3.04Å; I233-I246 HydrophobicContact CG2-CD1 4.06Å; I233-I246 HydrophobicContact CG2-CG1 4.33Å; I233-I246 HydrophobicContact CG2-CG2 4.15Å; I233-Y250 HydrophobicContact CB-CE2 3.96Å; I233-Y250 HydrophobicContact CD1-CD2 3.68Å; I233-Y250 HydrophobicContact CD1-CE2 3.45Å; I233-Y250 VanDerWaalsContact CD1-CE2 3.45Å; I233-Y250 HydrophobicContact CG1-CE2 4.32Å; I233-Y250 HydrophobicContact CG2-CD1 3.99Å; I233-Y250 HydrophobicContact CG2-CD2 4.14Å; I233-Y250 HydrophobicContact CG2-CE1 3.5Å; I233-Y250 HydrophobicContact CG2-CE2 3.66Å; I233-Y250 HydrophobicContact CG2-CG 4.28Å; I233-L346 HydrophobicContact CD1-CB 3.72Å; I233-L346 HydrophobicContact CD1-CD1 4.09Å; I233-L346 HydrophobicContact CD1-CG 4.46Å; I233-L346 HydrophobicContact CG1-CB 4.14Å
234S87.3Confident87.4Confident45 Ų4563.4 Ų63.432%0.31532%0.319SS..Hα-helixtrans-58.6-38.7175.6178.60000112.3L230 C231 L237L230-S234 WeakPolarHBondContact O-CB 3.49Å; L230-S234 PolarHBondContact O-N 3.01Å; C231-S234 PolarHBondContact O-N 2.86Å; S234-L237 PolarHBondContact O-N 3.02Å
235N86.3Confident87.1Confident71 Ų7169 Ų6938%0.3834%0.34SS..Hα-helixtrans-67.4-41.1174.2-73.9-40.6000112.7C231 L232 I233 L237 K238C231-N235 PolarHBondContact O-N 2.86Å; C231-N235 PolarHBondContact O-ND2 3.5Å; C231-N235 VanDerWaalsContact O-ND2 3.15Å; L232-N235 PolarHBondContact O-N 3.08Å; I233-N235 VanDerWaalsContact C-N 3.27Å; I233-N235 PolarHBondContact O-N 2.84Å; N235-L237 VanDerWaalsContact C-N 3.27Å; N235-L237 PolarHBondContact O-N 3Å; N235-K238 VanDerWaalsContact O-CB 3.3Å; N235-K238 WeakPolarHBondContact O-CB 3.3Å; N235-K238 WeakPolarHBondContact O-CG 3.39Å; N235-K238 PolarHBondContact O-N 3.13Å; N235-K238 WeakPolarHBondContact OD1-CE 3.15Å; N235-K238 PolarHBondContact OD1-NZ 3.33Å
236T85.8Confident87Confident53 Ų5365.3 Ų65.333%0.32533%0.328SS..Hα-helixtrans-60.1-37.7175.9-63.10000111.9L232 I233 K238 N239 H242 I246L232-T236 PolarHBondContact O-N 2.75Å; L232-T236 PolarHBondContact O-OG1 3.19Å; L232-T236 VanDerWaalsContact O-OG1 3.07Å; I233-T236 WeakPolarHBondContact O-CB 3.35Å; I233-T236 PolarHBondContact O-N 2.95Å; I233-T236 VanDerWaalsContact O-N 3.13Å; T236-K238 PolarHBondContact O-N 3.07Å; T236-N239 PolarHBondContact O-N 2.9Å; T236-H242 HydrophobicContact CG2-CB 3.93Å; T236-I246 HydrophobicContact CG2-CD1 4.46Å
237L87.8Confident87Confident1 Ų165.9 Ų65.91%0.00533%0.331CS..Hα-helixtrans-67.9-17.3179.2-70175.5000114.2I233 S234 N235 N239 A243 I246 Y250 F251 L282 V284I233-L237 HydrophobicContact CG2-CD1 4.29Å; I233-L237 HydrophobicContact CG2-CG 4.46Å; I233-L237 WeakPolarHBondContact O-CG 3.45Å; I233-L237 PolarHBondContact O-N 3.04Å; S234-L237 PolarHBondContact O-N 3.02Å; N235-L237 VanDerWaalsContact C-N 3.27Å; N235-L237 PolarHBondContact O-N 3Å; L237-N239 CarbonylContact O-C 3.5Å; L237-N239 PolarHBondContact O-N 3.22Å; L237-N239 VanDerWaalsContact O-N 3.13Å; L237-A243 HydrophobicContact CD2-CB 3.75Å; L237-I246 HydrophobicContact CD2-CG1 3.83Å; L237-Y250 HydrophobicContact CD1-CE1 3.95Å; L237-F251 HydrophobicContact CD1-CE1 4.06Å; L237-F251 HydrophobicContact CD2-CE1 4.17Å; L237-F251 HydrophobicContact CD2-CZ 3.95Å; L237-L282 HydrophobicContact CD1-CB 4.39Å; L237-L282 HydrophobicContact CD1-CD1 4.17Å; L237-L282 HydrophobicContact CD1-CD2 4.3Å; L237-V284 HydrophobicContact CD2-CG1 4.11Å
238K84.1Confident87.1Confident155 Ų15566.3 Ų66.367%0.67433%0.33SS*.THydrogen-bonded Turntrans-58.3-26.2173-66.5174.7175.1165.20112.5N235 T236N235-K238 VanDerWaalsContact O-CB 3.3Å; N235-K238 WeakPolarHBondContact O-CB 3.3Å; N235-K238 WeakPolarHBondContact O-CG 3.39Å; N235-K238 PolarHBondContact O-N 3.13Å; N235-K238 WeakPolarHBondContact OD1-CE 3.15Å; N235-K238 PolarHBondContact OD1-NZ 3.33Å; T236-K238 PolarHBondContact O-N 3.07Å
239N83.5Confident87.3Confident73 Ų7363 Ų6339%0.3931%0.314SS..SBendtrans-91.9100.2164.6-175.9-6.7000109.1T236 L237 S241 H242T236-N239 PolarHBondContact O-N 2.9Å; L237-N239 CarbonylContact O-C 3.5Å; L237-N239 PolarHBondContact O-N 3.22Å; L237-N239 VanDerWaalsContact O-N 3.13Å; N239-S241 VanDerWaalsContact CG-OG 3.26Å; N239-S241 PolarHBondContact ND2-OG 3.15Å; N239-S241 PolarHBondContact O-N 3.2Å; N239-S241 PolarHBondContact OD1-N 3.14Å; N239-S241 PolarHBondContact OD1-OG 3.37Å; N239-H242 PolarHBondContact ND2-CE1 3.39Å; N239-H242 PolarHBondContact ND2-NE2 3.45Å; N239-H242 WeakPolarHBondContact O-CB 3.36Å; N239-H242 PolarHBondContact O-N 3.04Å
240R75.6Confident87.5Confident163 Ų16363 Ų6362%0.61531%0.314SS*.G310 helixtrans-51.3-29.9-177.6-65.9-173.3180-173.4-0.6114H242 A243 D283R240-H242 PolarHBondContact O-N 2.93Å; R240-A243 PolarHBondContact O-N 3.02Å; R240-D283 IonicContact CZ-OD1 3.52Å; R240-D283 IonicContact CZ-OD2 3.33Å; R240-D283 IonicContact NE-OD1 3.72Å; R240-D283 IonicContact NE-OD2 2.87Å; R240-D283 PolarHBondContact NE-OD2 2.99Å; R240-D283 IonicContact NH2-OD1 2.68Å; R240-D283 PolarHBondContact NH2-OD1 3.2Å; R240-D283 IonicContact NH2-OD2 2.96Å; R240-D283 PolarHBondContact NH2-OD2 3.12Å
241S79.6Confident87.7Confident63 Ų6361.4 Ų61.444%0.44131%0.306SS..G310 helixtrans-66-18177.869.40000114N239 K244N239-S241 VanDerWaalsContact CG-OG 3.26Å; N239-S241 PolarHBondContact ND2-OG 3.15Å; N239-S241 PolarHBondContact O-N 3.2Å; N239-S241 PolarHBondContact OD1-N 3.14Å; N239-S241 PolarHBondContact OD1-OG 3.37Å; S241-K244 WeakPolarHBondContact O-CE 3.47Å
242H84Confident88Confident72 Ų7258.3 Ų58.333%0.33328%0.284SS..G310 helixtrans-88-16.3179.1-64.9178.2000113.8T236 N239 R240 K244 F245T236-H242 HydrophobicContact CG2-CB 3.93Å; N239-H242 PolarHBondContact ND2-CE1 3.39Å; N239-H242 PolarHBondContact ND2-NE2 3.45Å; N239-H242 WeakPolarHBondContact O-CB 3.36Å; N239-H242 PolarHBondContact O-N 3.04Å; R240-H242 PolarHBondContact O-N 2.93Å; H242-K244 PolarHBondContact O-N 3.36Å; H242-K244 VanDerWaalsContact O-N 3.12Å; H242-F245 HydrophobicContact CB-CD2 4.49Å; H242-F245 PolarHBondContact O-N 2.91Å
243A84.4Confident88.5Confident6 Ų654.9 Ų54.95%0.0527%0.266CS..G310 helixtrans-58.2-30.8-176.900000113L237 R240 F245 I246 F251 V284 I288L237-A243 HydrophobicContact CD2-CB 3.75Å; R240-A243 PolarHBondContact O-N 3.02Å; A243-F245 PolarHBondContact O-N 2.88Å; A243-I246 PolarHBondContact O-N 2.83Å; A243-F251 HydrophobicContact CB-CZ 4.45Å; A243-V284 HydrophobicContact CB-CG1 4.03Å; A243-I288 HydrophobicContact CB-CD1 3.74Å
244K84.2Confident88.9Confident162 Ų16255.6 Ų55.670%0.70427%0.269SS*.G310 helixtrans-66.8-16176.269.5-176.7179.4177.50115S241 H242S241-K244 WeakPolarHBondContact O-CE 3.47Å; H242-K244 PolarHBondContact O-N 3.36Å; H242-K244 VanDerWaalsContact O-N 3.12Å
245F86.6Confident89.4Confident143 Ų14353.5 Ų53.563%0.62726%0.255SS*.G310 helixtrans-95-10.6177.7-57.6-64.6000112.4H242 A243H242-F245 HydrophobicContact CB-CD2 4.49Å; H242-F245 PolarHBondContact O-N 2.91Å; A243-F245 PolarHBondContact O-N 2.88Å
246I91.4Very high90Very high18 Ų1850.2 Ų50.29%0.09224%0.237CC..SBendtrans-83.9130.3175.3-58.3-54.5000108.1I233 T236 L237 A243 Y250 F251I233-I246 HydrophobicContact CG2-CD1 4.06Å; I233-I246 HydrophobicContact CG2-CG1 4.33Å; I233-I246 HydrophobicContact CG2-CG2 4.15Å; T236-I246 HydrophobicContact CG2-CD1 4.46Å; L237-I246 HydrophobicContact CD2-CG1 3.83Å; A243-I246 PolarHBondContact O-N 2.83Å; I246-Y250 HydrophobicContact CG2-CD1 3.49Å; I246-Y250 VanDerWaalsContact CG2-CD1 3.49Å; I246-Y250 HydrophobicContact CG2-CE1 4.33Å; I246-Y250 HydrophobicContact CG2-CG 3.76Å; I246-F251 HydrophobicContact CB-CE2 3.81Å; I246-F251 HydrophobicContact CB-CZ 3.93Å; I246-F251 HydrophobicContact CG2-CD2 4.41Å; I246-F251 HydrophobicContact CG2-CE2 3.74Å; I246-F251 HydrophobicContact CG2-CZ 3.96Å
247P92.9Very high90.5Very high16 Ų1649.5 Ų49.510%0.10423%0.232CC..  trans-62.6142.5-17825.5-35.6000111G249 Y250 F333 T342 D344 L346P247-G249 PolarHBondContact O-N 2.77Å; P247-G249 VanDerWaalsContact O-N 3.1Å; P247-Y250 WeakPolarHBondContact O-CB 3.36Å; P247-Y250 PolarHBondContact O-N 3.08Å; P247-F333 HydrophobicContact CB-CD2 4.2Å; P247-F333 HydrophobicContact CB-CE2 4.35Å; P247-F333 HydrophobicContact CG-CD2 4.03Å; P247-F333 HydrophobicContact CG-CE2 3.7Å; P247-T342 HydrophobicContact CB-CG2 4.28Å; P247-D344 WeakPolarHBondContact CG-OD2 3.28Å; P247-L346 HydrophobicContact CG-CD1 3.85Å
248K94.6Very high90.9Very high94 Ų9453.9 Ų53.941%0.40925%0.252SS..Hα-helixtrans-53-34.7177.4-70.5-172.3174-167.30113Y250 F251 L252 I288 L289 D293K248-Y250 PolarHBondContact O-N 2.86Å; K248-F251 PolarHBondContact O-N 2.92Å; K248-L252 PolarHBondContact O-N 2.97Å; K248-I288 VanDerWaalsContact CE-O 3.26Å; K248-I288 WeakPolarHBondContact CE-O 3.37Å; K248-L289 HydrophobicContact CB-CD2 3.9Å; K248-L289 HydrophobicContact CD-CD2 4.38Å; K248-L289 HydrophobicContact CG-CD2 4.14Å; K248-D293 WeakPolarHBondContact CD-OD2 3.28Å; K248-D293 WeakPolarHBondContact CE-OD2 3.5Å; K248-D293 IonicContact NZ-OD1 3.43Å; K248-D293 PolarHBondContact NZ-OD1 3.04Å; K248-D293 IonicContact NZ-OD2 2.67Å; K248-D293 PolarHBondContact NZ-OD2 3.41Å
249G95.9Very high91.6Very high7 Ų746.5 Ų46.57%0.07222%0.22CC..Hα-helixtrans-57.8-31.3176.600000114.2P247 L252 M253 F333P247-G249 PolarHBondContact O-N 2.77Å; P247-G249 VanDerWaalsContact O-N 3.1Å; G249-L252 PolarHBondContact O-N 3.09Å; G249-M253 WeakPolarHBondContact O-CB 3.18Å; G249-M253 PolarHBondContact O-N 3.04Å; G249-F333 VanDerWaalsContact C-CD1 3.41Å; G249-F333 WeakPolarHBondContact O-CD1 3.37Å; G249-F333 WeakPolarHBondContact O-CE1 3.26Å
250Y95.5Very high92.2Very high1 Ų145 Ų450%0.00422%0.215CC..Hα-helixtrans-65.6-44.4173.2171.1-94.2000111.6L230 I233 L237 I246 P247 K248 M253 Q254 L282L230-Y250 HydrophobicContact CD2-CE2 3.94Å; I233-Y250 HydrophobicContact CB-CE2 3.96Å; I233-Y250 HydrophobicContact CD1-CD2 3.68Å; I233-Y250 HydrophobicContact CD1-CE2 3.45Å; I233-Y250 VanDerWaalsContact CD1-CE2 3.45Å; I233-Y250 HydrophobicContact CG1-CE2 4.32Å; I233-Y250 HydrophobicContact CG2-CD1 3.99Å; I233-Y250 HydrophobicContact CG2-CD2 4.14Å; I233-Y250 HydrophobicContact CG2-CE1 3.5Å; I233-Y250 HydrophobicContact CG2-CE2 3.66Å; I233-Y250 HydrophobicContact CG2-CG 4.28Å; L237-Y250 HydrophobicContact CD1-CE1 3.95Å; I246-Y250 HydrophobicContact CG2-CD1 3.49Å; I246-Y250 VanDerWaalsContact CG2-CD1 3.49Å; I246-Y250 HydrophobicContact CG2-CE1 4.33Å; I246-Y250 HydrophobicContact CG2-CG 3.76Å; P247-Y250 WeakPolarHBondContact O-CB 3.36Å; P247-Y250 PolarHBondContact O-N 3.08Å; K248-Y250 PolarHBondContact O-N 2.86Å; Y250-M253 HydrophobicContact CD2-CE 3.8Å; Y250-M253 HydrophobicContact CE2-CE 3.77Å; Y250-M253 WeakPolarHBondContact O-CB 3.27Å; Y250-M253 PolarHBondContact O-N 3.25Å; Y250-Q254 HydrophobicContact CD1-CG 4.36Å; Y250-Q254 HydrophobicContact CE1-CG 3.85Å; Y250-Q254 HydrophobicContact CE2-CG 4.36Å; Y250-Q254 WeakPolarHBondContact O-CG 3.4Å; Y250-Q254 PolarHBondContact O-N 3.18Å; Y250-Q254 PolarHBondContact OH-NE2 3.35Å; Y250-L282 HydrophobicContact CE1-CD1 4.49Å
251F96.3Very high93Very high0 Ų039.7 Ų39.70%020%0.198CC..Hα-helixtrans-66.6-39.8178-60.8-78000111.3L237 A243 I246 K248 M253 Q254 V255 W275 L282 V284 I288 L289L237-F251 HydrophobicContact CD1-CE1 4.06Å; L237-F251 HydrophobicContact CD2-CE1 4.17Å; L237-F251 HydrophobicContact CD2-CZ 3.95Å; A243-F251 HydrophobicContact CB-CZ 4.45Å; I246-F251 HydrophobicContact CB-CE2 3.81Å; I246-F251 HydrophobicContact CB-CZ 3.93Å; I246-F251 HydrophobicContact CG2-CD2 4.41Å; I246-F251 HydrophobicContact CG2-CE2 3.74Å; I246-F251 HydrophobicContact CG2-CZ 3.96Å; K248-F251 PolarHBondContact O-N 2.92Å; F251-M253 PolarHBondContact O-N 3.05Å; F251-Q254 WeakPolarHBondContact O-CB 3.43Å; F251-Q254 PolarHBondContact O-N 3.39Å; F251-Q254 VanDerWaalsContact O-N 3.14Å; F251-V255 WeakPolarHBondContact O-CG2 3.37Å; F251-V255 PolarHBondContact O-N 2.92Å; F251-W275 HydrophobicContact CB-CH2 4.16Å; F251-W275 HydrophobicContact CB-CZ3 3.95Å; F251-W275 AromaticContact CD1-CH2 3.92Å; F251-W275 HydrophobicContact CD1-CH2 3.92Å; F251-W275 HydrophobicContact CD1-CZ3 4.07Å; F251-W275 HydrophobicContact CG-CH2 4.24Å; F251-W275 HydrophobicContact CG-CZ3 4.39Å; F251-L282 HydrophobicContact CD1-CD1 4.12Å; F251-L282 HydrophobicContact CE1-CD1 4.34Å; F251-V284 HydrophobicContact CE1-CG1 4.27Å; F251-V284 HydrophobicContact CE1-CG2 4.16Å; F251-I288 HydrophobicContact CD2-CG2 3.67Å; F251-I288 HydrophobicContact CE1-CD1 4.42Å; F251-I288 HydrophobicContact CE2-CG2 3.67Å; F251-I288 HydrophobicContact CG-CG2 4.16Å; F251-I288 HydrophobicContact CZ-CD1 4.12Å; F251-I288 HydrophobicContact CZ-CG2 4.17Å; F251-L289 HydrophobicContact CB-CD1 3.88Å; F251-L289 HydrophobicContact CB-CD2 4.1Å; F251-L289 HydrophobicContact CB-CG 4.08Å
252L97.4Very high93.7Very high4 Ų443.7 Ų43.72%0.02122%0.215CC..Hα-helixtrans-60-44.1172.2-69.8173.6000111.8F168 K248 G249 Q254 V255 L256 L289 D293 L294F168-L252 HydrophobicContact CD2-CD1 3.89Å; F168-L252 HydrophobicContact CE1-CB 4.12Å; F168-L252 HydrophobicContact CE2-CB 4.3Å; F168-L252 HydrophobicContact CE2-CD1 3.77Å; F168-L252 HydrophobicContact CG-CD1 4.5Å; F168-L252 HydrophobicContact CZ-CB 3.91Å; F168-L252 HydrophobicContact CZ-CD1 4.26Å; K248-L252 PolarHBondContact O-N 2.97Å; G249-L252 PolarHBondContact O-N 3.09Å; L252-Q254 VanDerWaalsContact C-N 3.31Å; L252-Q254 PolarHBondContact O-N 2.79Å; L252-V255 WeakPolarHBondContact O-CB 3.37Å; L252-V255 PolarHBondContact O-N 3.37Å; L252-V255 VanDerWaalsContact O-N 3.17Å; L252-L256 VanDerWaalsContact O-CG 3.28Å; L252-L256 WeakPolarHBondContact O-CG 3.43Å; L252-L256 PolarHBondContact O-N 3.06Å; L252-L289 HydrophobicContact CD2-CD1 3.84Å; L252-L289 HydrophobicContact CD2-CD2 4.33Å; L252-L289 HydrophobicContact CG-CD1 4.27Å; L252-L289 HydrophobicContact CG-CD2 4.19Å; L252-D293 VanDerWaalsContact CD2-O 3.3Å; L252-D293 WeakPolarHBondContact CD2-O 3.48Å; L252-L294 HydrophobicContact CD2-CD2 3.99Å
253M96.9Very high94.2Very high3 Ų345 Ų452%0.01522%0.221CC..Hα-helixtrans-58.7-42.1173.2177.1-146.368.800111.6F138 L170 L230 G249 Y250 F251 V255 L256 N257 W331 F333F138-M253 HydrophobicContact CE1-CG 3.58Å; F138-M253 HydrophobicContact CE1-SD 4.28Å; F138-M253 HydrophobicContact CZ-CG 3.64Å; L170-M253 HydrophobicContact CD1-CG 4.01Å; L230-M253 HydrophobicContact CD2-CE 3.59Å; L230-M253 HydrophobicContact CD2-SD 4.3Å; G249-M253 WeakPolarHBondContact O-CB 3.18Å; G249-M253 PolarHBondContact O-N 3.04Å; Y250-M253 HydrophobicContact CD2-CE 3.8Å; Y250-M253 HydrophobicContact CE2-CE 3.77Å; Y250-M253 WeakPolarHBondContact O-CB 3.27Å; Y250-M253 PolarHBondContact O-N 3.25Å; F251-M253 PolarHBondContact O-N 3.05Å; M253-V255 VanDerWaalsContact C-N 3.33Å; M253-V255 PolarHBondContact O-N 2.64Å; M253-L256 PolarHBondContact O-N 3.11Å; M253-N257 WeakPolarHBondContact O-CB 3.44Å; M253-N257 PolarHBondContact O-N 3.35Å; M253-W331 HydrophobicContact CE-CH2 4.46Å; M253-W331 HydrophobicContact SD-CE3 4.46Å; M253-W331 HydrophobicContact SD-CH2 3.33Å; M253-W331 WeakPolarHBondContact SD-CH2 3.3Å; M253-W331 HydrophobicContact SD-CZ2 4.38Å; M253-W331 HydrophobicContact SD-CZ3 3.38Å; M253-W331 WeakPolarHBondContact SD-CZ3 3.5Å; M253-F333 HydrophobicContact CB-CE1 4.45Å
254Q97.1Very high94.5Very high17 Ų1747.3 Ų47.38%0.07924%0.24CC..Hα-helixtrans-63.5-37.3176.3-69.2-65.5-13.300112.5Y250 F251 L252 N257 Q258 V278 L282Y250-Q254 HydrophobicContact CD1-CG 4.36Å; Y250-Q254 HydrophobicContact CE1-CG 3.85Å; Y250-Q254 HydrophobicContact CE2-CG 4.36Å; Y250-Q254 WeakPolarHBondContact O-CG 3.4Å; Y250-Q254 PolarHBondContact O-N 3.18Å; Y250-Q254 PolarHBondContact OH-NE2 3.35Å; F251-Q254 WeakPolarHBondContact O-CB 3.43Å; F251-Q254 PolarHBondContact O-N 3.39Å; F251-Q254 VanDerWaalsContact O-N 3.14Å; L252-Q254 VanDerWaalsContact C-N 3.31Å; L252-Q254 PolarHBondContact O-N 2.79Å; Q254-N257 PolarHBondContact O-N 3.2Å; Q254-Q258 PolarHBondContact O-N 3.39Å; Q254-V278 HydrophobicContact CB-CG1 3.68Å; Q254-L282 HydrophobicContact CB-CD1 4.46Å; Q254-L282 HydrophobicContact CG-CD1 4.24Å
255V98.2Very high95Very high2 Ų243.3 Ų43.31%0.01223%0.231CC..Hα-helixtrans-61.4-49.6171.9173.20000110.9F251 L252 M253 N257 Q258 C259 L271 Q274 W275 V278 L289F251-V255 WeakPolarHBondContact O-CG2 3.37Å; F251-V255 PolarHBondContact O-N 2.92Å; L252-V255 WeakPolarHBondContact O-CB 3.37Å; L252-V255 PolarHBondContact O-N 3.37Å; L252-V255 VanDerWaalsContact O-N 3.17Å; M253-V255 VanDerWaalsContact C-N 3.33Å; M253-V255 PolarHBondContact O-N 2.64Å; V255-N257 VanDerWaalsContact C-N 3.26Å; V255-N257 PolarHBondContact O-N 3.4Å; V255-Q258 WeakPolarHBondContact O-CB 3.35Å; V255-Q258 PolarHBondContact O-N 2.99Å; V255-C259 PolarHBondContact O-N 2.96Å; V255-C259 PolarHBondContact O-SG 3.2Å; V255-L271 HydrophobicContact CG1-CD2 4.06Å; V255-Q274 HydrophobicContact CG1-CB 3.84Å; V255-W275 HydrophobicContact CG2-CB 3.95Å; V255-W275 HydrophobicContact CG2-CD2 4.33Å; V255-W275 HydrophobicContact CG2-CE3 3.65Å; V255-W275 HydrophobicContact CG2-CG 4.48Å; V255-V278 HydrophobicContact CG2-CB 4.4Å; V255-V278 HydrophobicContact CG2-CG2 4.31Å; V255-L289 HydrophobicContact CG2-CD1 4.4Å
256L97.8Very high95.5Very high1 Ų136.8 Ų36.81%0.00520%0.202CC..Hα-helixtrans-64.3-31.5180-66.1170.5000112.6C133 F138 T165 F168 L170 L252 M253 Q258 C259 F266 L271 C297C133-L256 HydrophobicContact CB-CB 4.21Å; C133-L256 HydrophobicContact CB-CD1 4.21Å; C133-L256 HydrophobicContact CB-CD2 4.12Å; C133-L256 HydrophobicContact CB-CG 4.41Å; F138-L256 HydrophobicContact CE2-CB 3.99Å; T165-L256 HydrophobicContact CG2-CD1 3.8Å; T165-L256 HydrophobicContact CG2-CD2 3.82Å; T165-L256 HydrophobicContact CG2-CG 4.48Å; F168-L256 HydrophobicContact CD1-CD1 3.73Å; F168-L256 HydrophobicContact CE1-CD1 3.81Å; L170-L256 HydrophobicContact CD2-CD1 4.4Å; L252-L256 VanDerWaalsContact O-CG 3.28Å; L252-L256 WeakPolarHBondContact O-CG 3.43Å; L252-L256 PolarHBondContact O-N 3.06Å; M253-L256 PolarHBondContact O-N 3.11Å; L256-Q258 PolarHBondContact O-N 3.13Å; L256-C259 WeakPolarHBondContact O-CB 3.42Å; L256-C259 PolarHBondContact O-N 3.28Å; L256-C259 VanDerWaalsContact O-N 3.14Å; L256-F266 HydrophobicContact CD2-CD2 3.99Å; L256-F266 HydrophobicContact CD2-CE2 3.84Å; L256-L271 HydrophobicContact CD2-CD2 4.48Å; L256-C297 HydrophobicContact CD2-CB 4.3Å
257N96.7Very high95.9Very high39 Ų3939.6 Ų39.621%0.20922%0.22CC..THydrogen-bonded Turntrans-67.6-16.9172.9-174.532.6000113.5S135 F138 M253 Q254 V255S135-N257 WeakPolarHBondContact CA-O 3.15Å; S135-N257 WeakPolarHBondContact CB-O 3.24Å; F138-N257 HydrophobicContact CB-CB 4.41Å; F138-N257 WeakPolarHBondContact CB-OD1 3.43Å; F138-N257 HydrophobicContact CD2-CB 3.85Å; F138-N257 HydrophobicContact CE2-CB 4.3Å; F138-N257 HydrophobicContact CG-CB 4.1Å; M253-N257 WeakPolarHBondContact O-CB 3.44Å; M253-N257 PolarHBondContact O-N 3.35Å; Q254-N257 PolarHBondContact O-N 3.2Å; V255-N257 VanDerWaalsContact C-N 3.26Å; V255-N257 PolarHBondContact O-N 3.4Å
258Q96.5Very high96.1Very high93 Ų9340.6 Ų40.644%0.43522%0.224SC..THydrogen-bonded Turntrans-91.9-12.6171.6-61.4-56.8-42.200113.3Q254 V255 L256 V278Q254-Q258 PolarHBondContact O-N 3.39Å; V255-Q258 WeakPolarHBondContact O-CB 3.35Å; V255-Q258 PolarHBondContact O-N 2.99Å; L256-Q258 PolarHBondContact O-N 3.13Å; Q258-V278 HydrophobicContact CG-CG2 3.59Å
259C97.6Very high96.3Very high0 Ų040.4 Ų40.40%023%0.233CC..  trans-75142.8-173.4-64.30000112.3S135 V255 L256 F266 Y270S135-C259 WeakPolarHBondContact CB-O 3.44Å; S135-C259 PolarHBondContact N-O 2.85Å; S135-C259 PolarHBondContact OG-O 2.93Å; S135-C259 VanDerWaalsContact OG-O 3.13Å; V255-C259 PolarHBondContact O-N 2.96Å; V255-C259 PolarHBondContact O-SG 3.2Å; L256-C259 WeakPolarHBondContact O-CB 3.42Å; L256-C259 PolarHBondContact O-N 3.28Å; L256-C259 VanDerWaalsContact O-N 3.14Å; C259-F266 HydrophobicContact CB-CD1 4.33Å; C259-F266 HydrophobicContact CB-CE1 3.6Å; C259-F266 HydrophobicContact CB-CE2 4.28Å; C259-F266 HydrophobicContact CB-CZ 3.56Å; C259-Y270 HydrophobicContact CB-CE1 3.99Å
260S96.3Very high96.4Very high40 Ų4041.9 Ų41.928%0.2824%0.236SC..  trans-80.7147.9168.8-170.50000110.4D262 E263 F266 Y270S260-D262 PolarHBondContact O-N 3.13Å; S260-D262 PolarHBondContact OG-N 2.91Å; S260-D262 PolarHBondContact OG-OD2 3.14Å; S260-E263 PolarHBondContact O-N 3.33Å; S260-F266 WeakPolarHBondContact O-CE1 3.3Å; S260-Y270 PolarHBondContact N-OH 3.33Å
261I92.4Very high96.5Very high53 Ų5341.9 Ų41.927%0.27224%0.236SC..G310 helixtrans-62.6-35.1172.4-63.5172.1000110.4S134 V136 Y137 E263 A264S134-I261 WeakPolarHBondContact OG-CD1 3.06Å; S134-I261 WeakPolarHBondContact OG-CG1 3.42Å; V136-I261 HydrophobicContact CB-CD1 3.83Å; V136-I261 HydrophobicContact CG1-CD1 4.25Å; V136-I261 HydrophobicContact CG2-CD1 4.13Å; Y137-I261 HydrophobicContact CD2-CD1 4.04Å; Y137-I261 HydrophobicContact CD2-CG1 4.41Å; Y137-I261 HydrophobicContact CE2-CD1 3.55Å; Y137-I261 HydrophobicContact CE2-CG1 4.11Å; I261-E263 PolarHBondContact O-N 2.77Å; I261-E263 VanDerWaalsContact O-N 3.12Å; I261-A264 WeakPolarHBondContact O-CB 3.4Å; I261-A264 PolarHBondContact O-N 2.86Å; I261-A264 VanDerWaalsContact O-N 3.09Å
262D94.4Very high96.6Very high147 Ų14744.9 Ų44.979%0.78625%0.25SS*.G310 helixtrans-68.3-12.6-175.6-52.6-48.4000113.9S260S260-D262 PolarHBondContact O-N 3.13Å; S260-D262 PolarHBondContact OG-N 2.91Å; S260-D262 PolarHBondContact OG-OD2 3.14Å
263E94.9Very high96.6Very high100 Ų10047.2 Ų47.247%0.46727%0.267SS..G310 helixtrans-97.1-1.1179-65.3-77.4176.600112.1S260 I261 P265 F266 Y270S260-E263 PolarHBondContact O-N 3.33Å; I261-E263 PolarHBondContact O-N 2.77Å; I261-E263 VanDerWaalsContact O-N 3.12Å; E263-P265 CarbonylContact O-C 3.47Å; E263-P265 VanDerWaalsContact O-C 3.29Å; E263-F266 HydrophobicContact CB-CD1 4.26Å; E263-F266 HydrophobicContact CB-CE1 4.29Å; E263-F266 WeakPolarHBondContact O-CD1 3.11Å; E263-Y270 HydrophobicContact CB-CD1 4.22Å; E263-Y270 HydrophobicContact CB-CE1 3.75Å; E263-Y270 HydrophobicContact CB-CE2 4.1Å; E263-Y270 HydrophobicContact CG-CD2 4.28Å; E263-Y270 HydrophobicContact CG-CE1 4.19Å; E263-Y270 HydrophobicContact CG-CE2 3.64Å
264A91.6Very high96.7Very high54 Ų5448.3 Ų48.345%0.44627%0.272SS..PPolyproline II helixtrans-78.4140.1174.700000110.7I261 F266I261-A264 WeakPolarHBondContact O-CB 3.4Å; I261-A264 PolarHBondContact O-N 2.86Å; I261-A264 VanDerWaalsContact O-N 3.09Å; A264-F266 HydrophobicContact CB-CE1 4.05Å; A264-F266 HydrophobicContact CB-CZ 4.22Å
265P94.9Very high96.7Very high78 Ų7848 Ų4851%0.50627%0.27SS..SBendcis-71.7136.6-2.429-33.8000112.5E263 G299E263-P265 CarbonylContact O-C 3.47Å; E263-P265 VanDerWaalsContact O-C 3.29Å; P265-G299 VanDerWaalsContact CB-C 3.4Å
266F97.3Very high96.7Very high5 Ų551.8 Ų51.82%0.02229%0.288CS..PPolyproline II helixtrans-67.8142.7-171.7-55.3-51.3000112.8C133 L256 C259 S260 E263 A264 Y270 L271 C298 G299C133-F266 HydrophobicContact CB-CE2 4.38Å; C133-F266 VanDerWaalsContact O-CZ 3.3Å; C133-F266 WeakPolarHBondContact O-CZ 3.37Å; L256-F266 HydrophobicContact CD2-CD2 3.99Å; L256-F266 HydrophobicContact CD2-CE2 3.84Å; C259-F266 HydrophobicContact CB-CD1 4.33Å; C259-F266 HydrophobicContact CB-CE1 3.6Å; C259-F266 HydrophobicContact CB-CE2 4.28Å; C259-F266 HydrophobicContact CB-CZ 3.56Å; S260-F266 WeakPolarHBondContact O-CE1 3.3Å; E263-F266 HydrophobicContact CB-CD1 4.26Å; E263-F266 HydrophobicContact CB-CE1 4.29Å; E263-F266 WeakPolarHBondContact O-CD1 3.11Å; A264-F266 HydrophobicContact CB-CE1 4.05Å; A264-F266 HydrophobicContact CB-CZ 4.22Å; F266-Y270 AromaticContact CD1-CD1 3.98Å; F266-Y270 HydrophobicContact CD1-CD1 3.98Å; F266-Y270 AromaticContact CD1-CE1 3.88Å; F266-Y270 HydrophobicContact CD1-CE1 3.88Å; F266-Y270 HydrophobicContact CE1-CE1 4.23Å; F266-L271 HydrophobicContact CB-CD1 4.08Å; F266-L271 HydrophobicContact CB-CD2 3.83Å; F266-L271 HydrophobicContact CB-CG 3.89Å; F266-L271 HydrophobicContact CD2-CD2 4.25Å; F266-L271 HydrophobicContact CG-CD2 4Å; F266-C298 WeakPolarHBondContact O-CA 3.35Å; F266-G299 PolarHBondContact O-N 2.84Å
267T97.8Very high96.7Very high77 Ų7755.6 Ų55.647%0.47231%0.308SS..PPolyproline II helixtrans-101.1153.4173.767.90000110.9Y270 L271T267-Y270 WeakPolarHBondContact O-CB 3.38Å; T267-Y270 PolarHBondContact O-N 2.98Å; T267-Y270 WeakPolarHBondContact OG1-CB 3.39Å; T267-L271 PolarHBondContact O-N 3.42Å
268L97.9Very high96.7Very high38 Ų3854 Ų5420%0.19930%0.3CS..Hα-helixtrans-57.1-46.7178.2176.564.4000113Y270 L271 Q272 I291 L294 E295 C298L268-Y270 VanDerWaalsContact C-N 3.25Å; L268-Y270 PolarHBondContact O-N 3.44Å; L268-L271 PolarHBondContact O-N 3.26Å; L268-Q272 HydrophobicContact CD1-CG 3.94Å; L268-Q272 HydrophobicContact CG-CG 4.27Å; L268-Q272 WeakPolarHBondContact O-CB 3.22Å; L268-Q272 WeakPolarHBondContact O-CG 3.44Å; L268-Q272 PolarHBondContact O-N 3.39Å; L268-I291 HydrophobicContact CD1-CG2 4.14Å; L268-I291 HydrophobicContact CD2-CG2 3.7Å; L268-L294 HydrophobicContact CD1-CB 3.78Å; L268-E295 HydrophobicContact CD1-CG 3.95Å; L268-E295 HydrophobicContact CD2-CG 3.91Å; L268-E295 HydrophobicContact CG-CG 4.4Å; L268-C298 VanDerWaalsContact CA-SG 3.58Å; L268-C298 PolarHBondContact N-SG 3.23Å; L268-C298 VanDerWaalsContact N-SG 3.43Å
269P98.2Very high96.6Very high90 Ų9049.6 Ų49.658%0.58428%0.279SS*.Hα-helixtrans-59.1-36.9177.7-25.335.7000113.2S273P269-S273 PolarHBondContact O-N 3.25Å; P269-S273 VanDerWaalsContact O-N 3.08Å
270Y98.3Very high96.5Very high37 Ų3756.3 Ų56.315%0.14531%0.309CS..Hα-helixtrans-65.6-49.9176.3179.8-105.7000111.3C259 S260 E263 F266 T267 L268 Q272 S273 Q274C259-Y270 HydrophobicContact CB-CE1 3.99Å; S260-Y270 PolarHBondContact N-OH 3.33Å; E263-Y270 HydrophobicContact CB-CD1 4.22Å; E263-Y270 HydrophobicContact CB-CE1 3.75Å; E263-Y270 HydrophobicContact CB-CE2 4.1Å; E263-Y270 HydrophobicContact CG-CD2 4.28Å; E263-Y270 HydrophobicContact CG-CE1 4.19Å; E263-Y270 HydrophobicContact CG-CE2 3.64Å; F266-Y270 AromaticContact CD1-CD1 3.98Å; F266-Y270 HydrophobicContact CD1-CD1 3.98Å; F266-Y270 AromaticContact CD1-CE1 3.88Å; F266-Y270 HydrophobicContact CD1-CE1 3.88Å; F266-Y270 HydrophobicContact CE1-CE1 4.23Å; T267-Y270 WeakPolarHBondContact O-CB 3.38Å; T267-Y270 PolarHBondContact O-N 2.98Å; T267-Y270 WeakPolarHBondContact OG1-CB 3.39Å; L268-Y270 VanDerWaalsContact C-N 3.25Å; L268-Y270 PolarHBondContact O-N 3.44Å; Y270-Q272 VanDerWaalsContact C-N 3.32Å; Y270-Q272 PolarHBondContact O-N 2.86Å; Y270-S273 WeakPolarHBondContact O-CB 3.23Å; Y270-S273 PolarHBondContact O-N 2.95Å; Y270-S273 VanDerWaalsContact O-N 3.13Å; Y270-Q274 HydrophobicContact CD1-CG 4.33Å; Y270-Q274 HydrophobicContact CE1-CG 3.97Å; Y270-Q274 HydrophobicContact CE2-CG 4.43Å; Y270-Q274 WeakPolarHBondContact O-CG 3.33Å; Y270-Q274 PolarHBondContact O-N 3.49Å
271L98.4Very high96.3Very high1 Ų162 Ų621%0.00533%0.328CS..Hα-helixtrans-63.9-35.2178.6-66.2-175.7000112.8V255 L256 F266 T267 L268 Q274 W275 L294 C297V255-L271 HydrophobicContact CG1-CD2 4.06Å; L256-L271 HydrophobicContact CD2-CD2 4.48Å; F266-L271 HydrophobicContact CB-CD1 4.08Å; F266-L271 HydrophobicContact CB-CD2 3.83Å; F266-L271 HydrophobicContact CB-CG 3.89Å; F266-L271 HydrophobicContact CD2-CD2 4.25Å; F266-L271 HydrophobicContact CG-CD2 4Å; T267-L271 PolarHBondContact O-N 3.42Å; L268-L271 PolarHBondContact O-N 3.26Å; L271-Q274 PolarHBondContact O-N 3.05Å; L271-W275 WeakPolarHBondContact O-CB 3.44Å; L271-W275 PolarHBondContact O-N 3.45Å; L271-L294 HydrophobicContact CB-CD2 4.41Å; L271-L294 WeakPolarHBondContact CD1-O 3.05Å; L271-C297 HydrophobicContact CD1-CB 3.62Å
272Q98.2Very high96.3Very high64 Ų6460 Ų6030%0.29932%0.319SS..Hα-helixtrans-62.6-42.9172.5-74.8179.5-50.400111.7L268 Y270 Q274 W275 Q276 L294L268-Q272 HydrophobicContact CD1-CG 3.94Å; L268-Q272 HydrophobicContact CG-CG 4.27Å; L268-Q272 WeakPolarHBondContact O-CB 3.22Å; L268-Q272 WeakPolarHBondContact O-CG 3.44Å; L268-Q272 PolarHBondContact O-N 3.39Å; Y270-Q272 VanDerWaalsContact C-N 3.32Å; Y270-Q272 PolarHBondContact O-N 2.86Å; Q272-Q274 VanDerWaalsContact C-N 3.34Å; Q272-W275 PolarHBondContact O-N 3.14Å; Q272-Q276 WeakPolarHBondContact O-CG 3.22Å; Q272-Q276 PolarHBondContact O-N 2.96Å; Q272-L294 HydrophobicContact CB-CD1 4.47Å; Q272-L294 HydrophobicContact CG-CD1 3.71Å
273S98Very high96.2Very high53 Ų5356.8 Ų56.837%0.37130%0.301SS..Hα-helixtrans-62.8-41.5175-178.80000111.8P269 Y270 Q276 N277P269-S273 PolarHBondContact O-N 3.25Å; P269-S273 VanDerWaalsContact O-N 3.08Å; Y270-S273 WeakPolarHBondContact O-CB 3.23Å; Y270-S273 PolarHBondContact O-N 2.95Å; Y270-S273 VanDerWaalsContact O-N 3.13Å; S273-Q276 PolarHBondContact O-N 2.9Å; S273-N277 PolarHBondContact O-N 3.23Å; S273-N277 PolarHBondContact O-ND2 3.28Å
274Q98.2Very high96.1Very high25 Ų2552.7 Ų52.712%0.11728%0.283CS..Hα-helixtrans-65.4-40.3174.8-62-42.2-42.900111.9V255 Y270 L271 Q272 Q276 N277 V278V255-Q274 HydrophobicContact CG1-CB 3.84Å; Y270-Q274 HydrophobicContact CD1-CG 4.33Å; Y270-Q274 HydrophobicContact CE1-CG 3.97Å; Y270-Q274 HydrophobicContact CE2-CG 4.43Å; Y270-Q274 WeakPolarHBondContact O-CG 3.33Å; Y270-Q274 PolarHBondContact O-N 3.49Å; L271-Q274 PolarHBondContact O-N 3.05Å; Q272-Q274 VanDerWaalsContact C-N 3.34Å; Q274-Q276 PolarHBondContact O-N 2.87Å; Q274-N277 WeakPolarHBondContact O-CB 3.42Å; Q274-N277 PolarHBondContact O-N 3.22Å; Q274-N277 VanDerWaalsContact O-N 3.12Å; Q274-V278 WeakPolarHBondContact O-CG2 3.41Å; Q274-V278 PolarHBondContact O-N 2.68Å
275W98.2Very high96.1Very high10 Ų1054.9 Ų54.94%0.03829%0.287CS..Hα-helixtrans-61.7-41.4175.8176.3-130.8000112.4F251 V255 L271 Q272 N277 V278 S279 V284 E286 I288 L289 L294F251-W275 HydrophobicContact CB-CH2 4.16Å; F251-W275 HydrophobicContact CB-CZ3 3.95Å; F251-W275 AromaticContact CD1-CH2 3.92Å; F251-W275 HydrophobicContact CD1-CH2 3.92Å; F251-W275 HydrophobicContact CD1-CZ3 4.07Å; F251-W275 HydrophobicContact CG-CH2 4.24Å; F251-W275 HydrophobicContact CG-CZ3 4.39Å; V255-W275 HydrophobicContact CG2-CB 3.95Å; V255-W275 HydrophobicContact CG2-CD2 4.33Å; V255-W275 HydrophobicContact CG2-CE3 3.65Å; V255-W275 HydrophobicContact CG2-CG 4.48Å; L271-W275 WeakPolarHBondContact O-CB 3.44Å; L271-W275 PolarHBondContact O-N 3.45Å; Q272-W275 PolarHBondContact O-N 3.14Å; W275-N277 PolarHBondContact O-N 2.96Å; W275-V278 HydrophobicContact CE3-CB 3.99Å; W275-V278 HydrophobicContact CE3-CG1 3.95Å; W275-V278 HydrophobicContact CZ3-CB 4.28Å; W275-V278 HydrophobicContact CZ3-CG1 3.77Å; W275-V278 PolarHBondContact O-N 3.33Å; W275-S279 WeakPolarHBondContact O-CB 3.46Å; W275-S279 PolarHBondContact O-N 3.5Å; W275-S279 PolarHBondContact O-OG 3.29Å; W275-S279 VanDerWaalsContact O-OG 3.14Å; W275-V284 HydrophobicContact CH2-CG2 3.82Å; W275-E286 PolarHBondContact NE1-O 3.13Å; W275-I288 HydrophobicContact CZ2-CB 4.19Å; W275-L289 HydrophobicContact CD2-CB 4.43Å; W275-L289 HydrophobicContact CD2-CD1 3.78Å; W275-L289 HydrophobicContact CD2-CG 4.34Å; W275-L289 HydrophobicContact CE3-CD1 3.79Å; W275-L289 HydrophobicContact CG-CD1 4.33Å; W275-L289 HydrophobicContact CH2-CD1 4.28Å; W275-L289 HydrophobicContact CH2-CG 4.25Å; W275-L289 HydrophobicContact CZ2-CB 4.21Å; W275-L289 HydrophobicContact CZ2-CD1 4.28Å; W275-L289 HydrophobicContact CZ2-CG 4.01Å; W275-L289 HydrophobicContact CZ3-CD1 4.04Å; W275-L294 HydrophobicContact CB-CD1 4.23Å; W275-L294 HydrophobicContact CB-CD2 4.17Å; W275-L294 HydrophobicContact CG-CD1 4.47Å
276Q97.8Very high96.1Very high83 Ų8355.2 Ų55.239%0.38828%0.282SS..Hα-helixtrans-60.3-32.3174.2-72.8173.4-3.900113.2Q272 S273 Q274 S279 K280Q272-Q276 WeakPolarHBondContact O-CG 3.22Å; Q272-Q276 PolarHBondContact O-N 2.96Å; S273-Q276 PolarHBondContact O-N 2.9Å; Q274-Q276 PolarHBondContact O-N 2.87Å; Q276-S279 PolarHBondContact O-OG 2.84Å; Q276-S279 VanDerWaalsContact O-OG 3.13Å; Q276-K280 VanDerWaalsContact O-CD 3.27Å; Q276-K280 WeakPolarHBondContact O-CD 3.13Å; Q276-K280 VanDerWaalsContact O-CG 3.23Å; Q276-K280 WeakPolarHBondContact O-CG 3.5Å
277N97.4Very high95.9Very high81 Ų8160.5 Ų60.543%0.43332%0.315SS..Hα-helixtrans-74.5-44.3175.6-65-30.5000110.8S273 Q274 W275 F281S273-N277 PolarHBondContact O-N 3.23Å; S273-N277 PolarHBondContact O-ND2 3.28Å; Q274-N277 WeakPolarHBondContact O-CB 3.42Å; Q274-N277 PolarHBondContact O-N 3.22Å; Q274-N277 VanDerWaalsContact O-N 3.12Å; W275-N277 PolarHBondContact O-N 2.96Å; N277-F281 WeakPolarHBondContact O-CB 3.48Å; N277-F281 PolarHBondContact O-N 3.42Å
278V96.4Very high95.7Very high4 Ų458.4 Ų58.42%0.02430%0.301CS..Hα-helixtrans-66.6-43.5-179.9171.90000111.9Q254 V255 Q258 Q274 W275 K280 F281 L282Q254-V278 HydrophobicContact CB-CG1 3.68Å; V255-V278 HydrophobicContact CG2-CB 4.4Å; V255-V278 HydrophobicContact CG2-CG2 4.31Å; Q258-V278 HydrophobicContact CG-CG2 3.59Å; Q274-V278 WeakPolarHBondContact O-CG2 3.41Å; Q274-V278 PolarHBondContact O-N 2.68Å; W275-V278 HydrophobicContact CE3-CB 3.99Å; W275-V278 HydrophobicContact CE3-CG1 3.95Å; W275-V278 HydrophobicContact CZ3-CB 4.28Å; W275-V278 HydrophobicContact CZ3-CG1 3.77Å; W275-V278 PolarHBondContact O-N 3.33Å; V278-K280 VanDerWaalsContact C-N 3.33Å; V278-K280 PolarHBondContact O-N 3.45Å; V278-F281 PolarHBondContact O-N 3.05Å; V278-L282 HydrophobicContact CG1-CD1 3.65Å; V278-L282 HydrophobicContact CG1-CG 4.19Å; V278-L282 WeakPolarHBondContact O-CB 3.44Å; V278-L282 WeakPolarHBondContact O-CG 3.36Å; V278-L282 PolarHBondContact O-N 3.37Å
279S95.3Very high95.6Very high2 Ų257 Ų571%0.01429%0.293CS..Hα-helixtrans-59.7-44.2179.164.20000111.3W275 Q276 D283 V284 E286W275-S279 WeakPolarHBondContact O-CB 3.46Å; W275-S279 PolarHBondContact O-N 3.5Å; W275-S279 PolarHBondContact O-OG 3.29Å; W275-S279 VanDerWaalsContact O-OG 3.14Å; Q276-S279 PolarHBondContact O-OG 2.84Å; Q276-S279 VanDerWaalsContact O-OG 3.13Å; S279-D283 WeakPolarHBondContact O-CA 3.36Å; S279-D283 PolarHBondContact O-N 3.25Å; S279-V284 PolarHBondContact O-N 3.21Å; S279-E286 VanDerWaalsContact OG-CG 3.27Å; S279-E286 WeakPolarHBondContact OG-CG 3.37Å
280K94.6Very high95.5Very high141 Ų14154.5 Ų54.561%0.61328%0.278SS*.Hα-helixtrans-65.2-43.3174.6-70.4172.1-168.7164.40112.2Q276 V278 D283Q276-K280 VanDerWaalsContact O-CD 3.27Å; Q276-K280 WeakPolarHBondContact O-CD 3.13Å; Q276-K280 VanDerWaalsContact O-CG 3.23Å; Q276-K280 WeakPolarHBondContact O-CG 3.5Å; V278-K280 VanDerWaalsContact C-N 3.33Å; V278-K280 PolarHBondContact O-N 3.45Å; K280-D283 PolarHBondContact O-N 3.49Å
281F93.1Very high95.4Very high158 Ų15857 Ų5769%0.69329%0.293SS*.Hα-helixtrans-64.2-40.5179.3174.5-103000112.4N277 V278 D283N277-F281 WeakPolarHBondContact O-CB 3.48Å; N277-F281 PolarHBondContact O-N 3.42Å; V278-F281 PolarHBondContact O-N 3.05Å; F281-D283 VanDerWaalsContact C-N 3.33Å
282L92.1Very high95.3Very high13 Ų1363.2 Ų63.27%0.06832%0.322CS..Hα-helixtrans-84.4-5.3178.8-63.2178.6000113.6L237 Y250 F251 Q254 V278 V284L237-L282 HydrophobicContact CD1-CB 4.39Å; L237-L282 HydrophobicContact CD1-CD1 4.17Å; L237-L282 HydrophobicContact CD1-CD2 4.3Å; Y250-L282 HydrophobicContact CE1-CD1 4.49Å; F251-L282 HydrophobicContact CD1-CD1 4.12Å; F251-L282 HydrophobicContact CE1-CD1 4.34Å; Q254-L282 HydrophobicContact CB-CD1 4.46Å; Q254-L282 HydrophobicContact CG-CD1 4.24Å; V278-L282 HydrophobicContact CG1-CD1 3.65Å; V278-L282 HydrophobicContact CG1-CG 4.19Å; V278-L282 WeakPolarHBondContact O-CB 3.44Å; V278-L282 WeakPolarHBondContact O-CG 3.36Å; V278-L282 PolarHBondContact O-N 3.37Å; L282-V284 HydrophobicContact CB-CG1 4.16Å; L282-V284 HydrophobicContact CB-CG2 4.12Å; L282-V284 PolarHBondContact O-N 3.35Å
283D91.2Very high95.2Very high79 Ų7960.3 Ų60.342%0.42231%0.308SS..THydrogen-bonded Turntrans54.644.1-173.6-166.447000114R240 S279 K280 F281R240-D283 IonicContact CZ-OD1 3.52Å; R240-D283 IonicContact CZ-OD2 3.33Å; R240-D283 IonicContact NE-OD1 3.72Å; R240-D283 IonicContact NE-OD2 2.87Å; R240-D283 PolarHBondContact NE-OD2 2.99Å; R240-D283 IonicContact NH2-OD1 2.68Å; R240-D283 PolarHBondContact NH2-OD1 3.2Å; R240-D283 IonicContact NH2-OD2 2.96Å; R240-D283 PolarHBondContact NH2-OD2 3.12Å; S279-D283 WeakPolarHBondContact O-CA 3.36Å; S279-D283 PolarHBondContact O-N 3.25Å; K280-D283 PolarHBondContact O-N 3.49Å; F281-D283 VanDerWaalsContact C-N 3.33Å
284V92.7Very high95.1Very high14 Ų1458 Ų589%0.08529%0.292CS..  trans-116.4156.9-179.6-600000112.4L237 A243 F251 W275 S279 L282 I288L237-V284 HydrophobicContact CD2-CG1 4.11Å; A243-V284 HydrophobicContact CB-CG1 4.03Å; F251-V284 HydrophobicContact CE1-CG1 4.27Å; F251-V284 HydrophobicContact CE1-CG2 4.16Å; W275-V284 HydrophobicContact CH2-CG2 3.82Å; S279-V284 PolarHBondContact O-N 3.21Å; L282-V284 HydrophobicContact CB-CG1 4.16Å; L282-V284 HydrophobicContact CB-CG2 4.12Å; L282-V284 PolarHBondContact O-N 3.35Å; V284-I288 HydrophobicContact CB-CD1 3.71Å; V284-I288 HydrophobicContact CG1-CD1 4.37Å; V284-I288 HydrophobicContact CG2-CD1 4.09Å
285D92.9Very high95.1Very high100 Ų10061.5 Ų61.554%0.53531%0.308SS..  trans-66.7132.2178.1-164.7-58.3000111T287 I288D285-T287 VanDerWaalsContact CG-OG1 3.27Å; D285-T287 PolarHBondContact O-N 3.28Å; D285-T287 VanDerWaalsContact O-N 3.16Å; D285-T287 VanDerWaalsContact OD1-CB 3.25Å; D285-T287 WeakPolarHBondContact OD1-CB 3.39Å; D285-T287 VanDerWaalsContact OD1-CG2 3.28Å; D285-T287 WeakPolarHBondContact OD1-CG2 3.42Å; D285-T287 PolarHBondContact OD1-N 3.42Å; D285-T287 PolarHBondContact OD1-OG1 3.31Å; D285-I288 WeakPolarHBondContact O-CG1 3.41Å; D285-I288 PolarHBondContact O-N 2.82Å
286E93.6Very high95Very high85 Ų8561.1 Ų61.140%0.39731%0.307SS..G310 helixtrans-61.7-21.5179.2-73.7-176.9-154.600112.9W275 S279 I288W275-E286 PolarHBondContact NE1-O 3.13Å; S279-E286 VanDerWaalsContact OG-CG 3.27Å; S279-E286 WeakPolarHBondContact OG-CG 3.37Å; E286-I288 PolarHBondContact O-N 3.43Å
287T94.1Very high94.9Very high116 Ų11657.3 Ų57.371%0.71229%0.289SS*.G310 helixtrans-73.6-6.4178.863.10000114.5D285 L289D285-T287 VanDerWaalsContact CG-OG1 3.27Å; D285-T287 PolarHBondContact O-N 3.28Å; D285-T287 VanDerWaalsContact O-N 3.16Å; D285-T287 VanDerWaalsContact OD1-CB 3.25Å; D285-T287 WeakPolarHBondContact OD1-CB 3.39Å; D285-T287 VanDerWaalsContact OD1-CG2 3.28Å; D285-T287 WeakPolarHBondContact OD1-CG2 3.42Å; D285-T287 PolarHBondContact OD1-N 3.42Å; D285-T287 PolarHBondContact OD1-OG1 3.31Å; T287-L289 VanDerWaalsContact C-N 3.28Å; T287-L289 PolarHBondContact O-N 3.41Å
288I94.4Very high94.9Very high33 Ų3354.9 Ų54.917%0.16928%0.279CS..G310 helixtrans-59.5-40.6175.8-71.2176.3000111.5A243 K248 F251 W275 V284 D285 E286A243-I288 HydrophobicContact CB-CD1 3.74Å; K248-I288 VanDerWaalsContact CE-O 3.26Å; K248-I288 WeakPolarHBondContact CE-O 3.37Å; F251-I288 HydrophobicContact CD2-CG2 3.67Å; F251-I288 HydrophobicContact CE1-CD1 4.42Å; F251-I288 HydrophobicContact CE2-CG2 3.67Å; F251-I288 HydrophobicContact CG-CG2 4.16Å; F251-I288 HydrophobicContact CZ-CD1 4.12Å; F251-I288 HydrophobicContact CZ-CG2 4.17Å; W275-I288 HydrophobicContact CZ2-CB 4.19Å; V284-I288 HydrophobicContact CB-CD1 3.71Å; V284-I288 HydrophobicContact CG1-CD1 4.37Å; V284-I288 HydrophobicContact CG2-CD1 4.09Å; D285-I288 WeakPolarHBondContact O-CG1 3.41Å; D285-I288 PolarHBondContact O-N 2.82Å; E286-I288 PolarHBondContact O-N 3.43Å
289L95.7Very high94.8Very high8 Ų855.8 Ų55.84%0.04229%0.289CS..SBendtrans-102.6124.8172.9-64.3-176.1000109.4K248 F251 L252 V255 W275 T287 D293 L294K248-L289 HydrophobicContact CB-CD2 3.9Å; K248-L289 HydrophobicContact CD-CD2 4.38Å; K248-L289 HydrophobicContact CG-CD2 4.14Å; F251-L289 HydrophobicContact CB-CD1 3.88Å; F251-L289 HydrophobicContact CB-CD2 4.1Å; F251-L289 HydrophobicContact CB-CG 4.08Å; L252-L289 HydrophobicContact CD2-CD1 3.84Å; L252-L289 HydrophobicContact CD2-CD2 4.33Å; L252-L289 HydrophobicContact CG-CD1 4.27Å; L252-L289 HydrophobicContact CG-CD2 4.19Å; V255-L289 HydrophobicContact CG2-CD1 4.4Å; W275-L289 HydrophobicContact CD2-CB 4.43Å; W275-L289 HydrophobicContact CD2-CD1 3.78Å; W275-L289 HydrophobicContact CD2-CG 4.34Å; W275-L289 HydrophobicContact CE3-CD1 3.79Å; W275-L289 HydrophobicContact CG-CD1 4.33Å; W275-L289 HydrophobicContact CH2-CD1 4.28Å; W275-L289 HydrophobicContact CH2-CG 4.25Å; W275-L289 HydrophobicContact CZ2-CB 4.21Å; W275-L289 HydrophobicContact CZ2-CD1 4.28Å; W275-L289 HydrophobicContact CZ2-CG 4.01Å; W275-L289 HydrophobicContact CZ3-CD1 4.04Å; T287-L289 VanDerWaalsContact C-N 3.28Å; T287-L289 PolarHBondContact O-N 3.41Å; L289-D293 HydrophobicContact CB-CB 4.37Å; L289-D293 HydrophobicContact CD2-CB 4.09Å; L289-L294 HydrophobicContact CD1-CD2 4.05Å
290S95.5Very high94.7Very high37 Ų3760 Ų6026%0.25932%0.315SS..  trans-76.9168.9168.580.10000110.4E292 D293 L294S290-E292 PolarHBondContact O-N 3.41Å; S290-E292 PolarHBondContact OG-N 3.24Å; S290-E292 PolarHBondContact OG-OE2 3.27Å; S290-D293 PolarHBondContact N-OD2 3.12Å; S290-D293 WeakPolarHBondContact O-CB 3.38Å; S290-D293 PolarHBondContact O-N 3.07Å; S290-D293 PolarHBondContact OG-N 3.01Å; S290-D293 PolarHBondContact OG-OD2 3.02Å; S290-L294 PolarHBondContact O-N 3.39Å
291I96.3Very high94.6Very high91 Ų9155.5 Ų55.547%0.46730%0.3SS..Hα-helixtrans-58.9-40.8172-64.7176.4000110.2L268 D293 L294 E295L268-I291 HydrophobicContact CD1-CG2 4.14Å; L268-I291 HydrophobicContact CD2-CG2 3.7Å; I291-D293 VanDerWaalsContact C-N 3.28Å; I291-D293 PolarHBondContact O-N 3.29Å; I291-L294 PolarHBondContact O-N 3.41Å; I291-E295 HydrophobicContact CG2-CG 4.13Å; I291-E295 WeakPolarHBondContact O-CG 3.13Å; I291-E295 PolarHBondContact O-N 3.09Å
292E95Very high94.7Very high130 Ų13051.4 Ų51.461%0.60729%0.285SS*.Hα-helixtrans-64.5-33.5-180-57.1134.5161.800112S290 L294 E295 C296S290-E292 PolarHBondContact O-N 3.41Å; S290-E292 PolarHBondContact OG-N 3.24Å; S290-E292 PolarHBondContact OG-OE2 3.27Å; E292-L294 VanDerWaalsContact C-N 3.32Å; E292-E295 PolarHBondContact O-N 3.36Å; E292-C296 PolarHBondContact O-N 3.18Å
293D95.8Very high94.8Very high4 Ų454 Ų542%0.02130%0.302CS..Hα-helixtrans-65.3-36.6173.8-61.5-50.4000111.2K248 L252 L289 S290 I291 C296K248-D293 WeakPolarHBondContact CD-OD2 3.28Å; K248-D293 WeakPolarHBondContact CE-OD2 3.5Å; K248-D293 IonicContact NZ-OD1 3.43Å; K248-D293 PolarHBondContact NZ-OD1 3.04Å; K248-D293 IonicContact NZ-OD2 2.67Å; K248-D293 PolarHBondContact NZ-OD2 3.41Å; L252-D293 VanDerWaalsContact CD2-O 3.3Å; L252-D293 WeakPolarHBondContact CD2-O 3.48Å; L289-D293 HydrophobicContact CB-CB 4.37Å; L289-D293 HydrophobicContact CD2-CB 4.09Å; S290-D293 PolarHBondContact N-OD2 3.12Å; S290-D293 WeakPolarHBondContact O-CB 3.38Å; S290-D293 PolarHBondContact O-N 3.07Å; S290-D293 PolarHBondContact OG-N 3.01Å; S290-D293 PolarHBondContact OG-OD2 3.02Å; I291-D293 VanDerWaalsContact C-N 3.28Å; I291-D293 PolarHBondContact O-N 3.29Å; D293-C296 PolarHBondContact O-SG 2.92Å
294L97.4Very high94.9Very high4 Ų453.4 Ų53.42%0.02131%0.308CS..Hα-helixtrans-76.9-37.2176.3-65.6171.7000112L252 L268 L271 Q272 W275 L289 S290 I291 E292 C296 C297 C298L252-L294 HydrophobicContact CD2-CD2 3.99Å; L268-L294 HydrophobicContact CD1-CB 3.78Å; L271-L294 HydrophobicContact CB-CD2 4.41Å; L271-L294 WeakPolarHBondContact CD1-O 3.05Å; Q272-L294 HydrophobicContact CB-CD1 4.47Å; Q272-L294 HydrophobicContact CG-CD1 3.71Å; W275-L294 HydrophobicContact CB-CD1 4.23Å; W275-L294 HydrophobicContact CB-CD2 4.17Å; W275-L294 HydrophobicContact CG-CD1 4.47Å; L289-L294 HydrophobicContact CD1-CD2 4.05Å; S290-L294 PolarHBondContact O-N 3.39Å; I291-L294 PolarHBondContact O-N 3.41Å; E292-L294 VanDerWaalsContact C-N 3.32Å; L294-C296 PolarHBondContact O-N 2.85Å; L294-C297 PolarHBondContact O-N 2.97Å; L294-C298 PolarHBondContact O-SG 3.41Å
295E96.6Very high95Very high99 Ų9952.9 Ų52.946%0.46331%0.305SS..Hα-helixtrans-58.2-31.6176.5-76.8179.6157.800112.2L268 I291 E292 C297 C298L268-E295 HydrophobicContact CD1-CG 3.95Å; L268-E295 HydrophobicContact CD2-CG 3.91Å; L268-E295 HydrophobicContact CG-CG 4.4Å; I291-E295 HydrophobicContact CG2-CG 4.13Å; I291-E295 WeakPolarHBondContact O-CG 3.13Å; I291-E295 PolarHBondContact O-N 3.09Å; E292-E295 PolarHBondContact O-N 3.36Å; E295-C297 PolarHBondContact O-N 3.11Å; E295-C297 VanDerWaalsContact O-N 3.13Å; E295-C298 WeakPolarHBondContact O-CB 3.37Å; E295-C298 PolarHBondContact O-N 3.07Å
296C96.1Very high95.2Very high2 Ų248.4 Ų48.41%0.01428%0.281CS..THydrogen-bonded Turntrans-64-18.3177.385.70000113.5L167 F168 E292 D293 L294L167-C296 CarbonylContact C-O 3.57Å; L167-C296 WeakPolarHBondContact CA-O 3.34Å; L167-C296 HydrophobicContact CB-CB 4.33Å; L167-C296 WeakPolarHBondContact CB-O 3.44Å; L167-C296 PolarHBondContact N-O 3.48Å; F168-C296 PolarHBondContact N-O 2.99Å; F168-C296 VanDerWaalsContact N-O 3.11Å; E292-C296 PolarHBondContact O-N 3.18Å; D293-C296 PolarHBondContact O-SG 2.92Å; L294-C296 PolarHBondContact O-N 2.85Å
297C97.3Very high95.4Very high2 Ų246.8 Ų46.81%0.01428%0.278CS..THydrogen-bonded Turntrans-96.3-4.8176.5-65.10000113.3T165 F168 L256 L271 L294 E295T165-C297 HydrophobicContact CG2-CB 4.1Å; T165-C297 PolarHBondContact OG1-O 2.82Å; F168-C297 VanDerWaalsContact CB-SG 3.54Å; L256-C297 HydrophobicContact CD2-CB 4.3Å; L271-C297 HydrophobicContact CD1-CB 3.62Å; L294-C297 PolarHBondContact O-N 2.97Å; E295-C297 PolarHBondContact O-N 3.11Å; E295-C297 VanDerWaalsContact O-N 3.13Å
298C96.7Very high95.5Very high31 Ų3144.2 Ų44.221%0.20926%0.262CS..  trans-80.4154.5-174.2-66.90000112.7G166 F266 L268 L294 E295G166-C298 WeakPolarHBondContact CA-O 3.38Å; F266-C298 WeakPolarHBondContact O-CA 3.35Å; L268-C298 VanDerWaalsContact CA-SG 3.58Å; L268-C298 PolarHBondContact N-SG 3.23Å; L268-C298 VanDerWaalsContact N-SG 3.43Å; L294-C298 PolarHBondContact O-SG 3.41Å; E295-C298 WeakPolarHBondContact O-CB 3.37Å; E295-C298 PolarHBondContact O-N 3.07Å
299G95Very high95.6Very high23 Ų2342.7 Ų42.724%0.23725%0.254CS..SBendtrans75.8-176.4174.200000114P265 F266P265-G299 VanDerWaalsContact CB-C 3.4Å; F266-G299 PolarHBondContact O-N 2.84Å
300P93Very high95.7Very high89 Ų8942.3 Ų42.358%0.57825%0.252SS*.SBendtrans-65.215317429.1-34.5000110.6I302P300-I302 PolarHBondContact O-N 3.45Å
301T93Very high95.8Very high48 Ų4841.3 Ų41.329%0.29425%0.248SC..PPolyproline II helixtrans-58.9126.3176.2-59.60000110.6V164V164-T301 HydrophobicContact CB-CG2 4.06Å; V164-T301 HydrophobicContact CG2-CG2 3.8Å
302I94.1Very high95.9Very high72 Ų7238.5 Ų38.537%0.36924%0.235SC..PPolyproline II helixtrans-75.1126.8176.4-59.4-57000108.7G166 L167 P300 A304 V305G166-I302 PolarHBondContact O-N 2.88Å; L167-I302 HydrophobicContact CD2-CB 3.83Å; L167-I302 HydrophobicContact CD2-CG1 3.66Å; L167-I302 HydrophobicContact CD2-CG2 4.06Å; L167-I302 HydrophobicContact CG-CG1 3.95Å; P300-I302 PolarHBondContact O-N 3.45Å; I302-A304 HydrophobicContact CG2-CB 4.42Å; I302-A304 PolarHBondContact O-N 2.92Å; I302-V305 HydrophobicContact CB-CG2 4.1Å; I302-V305 WeakPolarHBondContact O-CB 3.36Å; I302-V305 WeakPolarHBondContact O-CG2 3.48Å; I302-V305 PolarHBondContact O-N 3.29Å
303P93.4Very high96Very high67 Ų6732.3 Ų32.344%0.43521%0.206SC..THydrogen-bonded Turntrans-56.3-34.2-170.4-29.836.6000114.2N78 V305 N306 P307N78-P303 VanDerWaalsContact OD1-CG 3.28Å; N78-P303 WeakPolarHBondContact OD1-CG 3.35Å; P303-V305 PolarHBondContact O-N 2.97Å; P303-N306 WeakPolarHBondContact O-CB 3.38Å; P303-N306 PolarHBondContact O-N 3.17Å; P303-N306 PolarHBondContact O-ND2 3.49Å; P303-P307 WeakPolarHBondContact O-CD 3.41Å
304A93.7Very high96.1Very high66 Ų6632.2 Ų32.255%0.54521%0.206SC..THydrogen-bonded Turntrans-65.6-18.4-179.100000114.6I302 P307 V308I302-A304 HydrophobicContact CG2-CB 4.42Å; I302-A304 PolarHBondContact O-N 2.92Å; A304-P307 WeakPolarHBondContact O-CD 3.09Å; A304-P307 WeakPolarHBondContact O-CG 3.28Å; A304-V308 WeakPolarHBondContact O-CG2 3.36Å
305V96.2Very high96.1Very high3 Ų337.9 Ų37.92%0.01823%0.232CC..Hα-helixtrans-69.4-38.8177.2177.70000111.1V164 L167 I302 P303 V308 L309 F334V164-V305 HydrophobicContact CB-CG1 4.22Å; V164-V305 HydrophobicContact CG1-CG1 3.73Å; L167-V305 HydrophobicContact CD2-CG2 4.18Å; I302-V305 HydrophobicContact CB-CG2 4.1Å; I302-V305 WeakPolarHBondContact O-CB 3.36Å; I302-V305 WeakPolarHBondContact O-CG2 3.48Å; I302-V305 PolarHBondContact O-N 3.29Å; P303-V305 PolarHBondContact O-N 2.97Å; V305-V308 PolarHBondContact O-N 2.99Å; V305-L309 PolarHBondContact O-N 3.18Å; V305-F334 HydrophobicContact CB-CE1 4.23Å; V305-F334 HydrophobicContact CG1-CD1 3.72Å; V305-F334 HydrophobicContact CG1-CE1 3.82Å; V305-F334 HydrophobicContact CG2-CE1 4.1Å
306N96.7Very high96.1Very high6 Ų633.5 Ų33.53%0.03221%0.212CC..Hα-helixtrans-56.7-52.3-177.7-58.8-70.8000113.4P46 L47 E50 V164 P303 V308 G310P46-N306 HydrophobicContact CB-CB 4.27Å; L47-N306 WeakPolarHBondContact CD1-O 3.23Å; L47-N306 PolarHBondContact N-OD1 3.41Å; E50-N306 HydrophobicContact CG-CB 4.25Å; V164-N306 WeakPolarHBondContact CG2-OD1 3.15Å; P303-N306 WeakPolarHBondContact O-CB 3.38Å; P303-N306 PolarHBondContact O-N 3.17Å; P303-N306 PolarHBondContact O-ND2 3.49Å; N306-V308 VanDerWaalsContact C-N 3.3Å; N306-V308 PolarHBondContact O-N 3.1Å; N306-G310 WeakPolarHBondContact O-CA 3.41Å; N306-G310 PolarHBondContact O-N 3.04Å
307P97Very high96.2Very high52 Ų5233.5 Ų33.534%0.33821%0.211SC..Hα-helixtrans-67.5-29.4179.824.4-34.5000113E50 P303 A304 G311E50-P307 HydrophobicContact CG-CB 4.18Å; P303-P307 WeakPolarHBondContact O-CD 3.41Å; A304-P307 WeakPolarHBondContact O-CD 3.09Å; A304-P307 WeakPolarHBondContact O-CG 3.28Å; P307-G311 PolarHBondContact O-N 3.12Å
308V96.5Very high96.2Very high62 Ų6234.7 Ų34.738%0.37622%0.218SC..Hα-helixtrans-67.9-58.4177.9178.50000110A304 V305 N306 G311 V312 F334A304-V308 WeakPolarHBondContact O-CG2 3.36Å; V305-V308 PolarHBondContact O-N 2.99Å; N306-V308 VanDerWaalsContact C-N 3.3Å; N306-V308 PolarHBondContact O-N 3.1Å; V308-G311 PolarHBondContact O-N 3.46Å; V308-V312 WeakPolarHBondContact O-CG2 3.42Å; V308-V312 PolarHBondContact O-N 2.95Å; V308-V312 VanDerWaalsContact O-N 3.13Å; V308-F334 HydrophobicContact CB-CE1 4.49Å; V308-F334 HydrophobicContact CB-CE2 4.34Å; V308-F334 HydrophobicContact CB-CZ 4.16Å; V308-F334 HydrophobicContact CG1-CD2 3.84Å; V308-F334 HydrophobicContact CG1-CE1 4.45Å; V308-F334 HydrophobicContact CG1-CE2 3.53Å; V308-F334 HydrophobicContact CG1-CG 4.41Å; V308-F334 HydrophobicContact CG1-CZ 3.85Å; V308-F334 HydrophobicContact CG2-CZ 4.36Å
309L97.4Very high96.1Very high0 Ų034.8 Ų34.80%021%0.213CC..Hα-helixtrans-66.8-40.6179.8-176.964.6000111.4L47 V164 A171 V305 G311 V312 V313L47-L309 HydrophobicContact CD1-CB 3.97Å; L47-L309 HydrophobicContact CD1-CD2 4.19Å; L47-L309 HydrophobicContact CD1-CG 4.12Å; L47-L309 HydrophobicContact CD2-CD2 3.93Å; V164-L309 HydrophobicContact CG1-CD2 3.72Å; A171-L309 HydrophobicContact CB-CD1 4.35Å; V305-L309 PolarHBondContact O-N 3.18Å; L309-G311 VanDerWaalsContact C-N 3.29Å; L309-G311 PolarHBondContact O-N 2.98Å; L309-V312 PolarHBondContact O-N 3.21Å; L309-V313 HydrophobicContact CD1-CG2 4.07Å; L309-V313 HydrophobicContact CG-CG2 4.16Å; L309-V313 WeakPolarHBondContact O-CB 3.44Å; L309-V313 WeakPolarHBondContact O-CG2 3.49Å; L309-V313 PolarHBondContact O-N 3.43Å
310G98Very high96.2Very high0 Ų034 Ų340%020%0.204CC..Hα-helixtrans-60-39.8177.400000112N306 S314N306-G310 WeakPolarHBondContact O-CA 3.41Å; N306-G310 PolarHBondContact O-N 3.04Å; G310-S314 VanDerWaalsContact O-CB 3.22Å; G310-S314 WeakPolarHBondContact O-CB 3.43Å; G310-S314 PolarHBondContact O-N 3Å; G310-S314 PolarHBondContact O-OG 3.33Å
311G97.7Very high96.4Very high16 Ų1630.2 Ų30.217%0.16518%0.18CC..Hα-helixtrans-62.1-48.5172.800000112.9P307 V308 L309 S314 Q315P307-G311 PolarHBondContact O-N 3.12Å; V308-G311 PolarHBondContact O-N 3.46Å; L309-G311 VanDerWaalsContact C-N 3.29Å; L309-G311 PolarHBondContact O-N 2.98Å; G311-S314 PolarHBondContact O-N 3.12Å; G311-Q315 WeakPolarHBondContact O-CG 3.41Å; G311-Q315 PolarHBondContact O-N 3.29Å
312V96.8Very high96.5Very high32 Ų3228 Ų2819%0.19417%0.166CC..Hα-helixtrans-60-51.8178.2172.20000111V308 L309 S314 Q315 E316 Y332 V341V308-V312 WeakPolarHBondContact O-CG2 3.42Å; V308-V312 PolarHBondContact O-N 2.95Å; V308-V312 VanDerWaalsContact O-N 3.13Å; L309-V312 PolarHBondContact O-N 3.21Å; V312-S314 VanDerWaalsContact C-N 3.31Å; V312-S314 PolarHBondContact O-N 3.27Å; V312-Q315 PolarHBondContact O-N 2.96Å; V312-Q315 VanDerWaalsContact O-N 3.16Å; V312-E316 PolarHBondContact O-N 2.68Å; V312-E316 VanDerWaalsContact O-N 3.15Å; V312-Y332 HydrophobicContact CG1-CD1 3.53Å; V312-Y332 HydrophobicContact CG1-CE1 3.88Å; V312-Y332 HydrophobicContact CG1-CG 4.45Å; V312-V341 HydrophobicContact CG2-CG2 4.33Å
313V98.1Very high96.5Very high1 Ų129.2 Ų29.21%0.00617%0.166CC..Hα-helixtrans-60.8-41.7179.91720000111.3I51 I160 A171 L309 Q315 E316 I317I51-V313 HydrophobicContact CD1-CB 4.24Å; I51-V313 HydrophobicContact CD1-CG1 3.87Å; I51-V313 HydrophobicContact CG1-CB 4.39Å; I51-V313 HydrophobicContact CG1-CG1 4.25Å; I160-V313 HydrophobicContact CG2-CG1 3.69Å; A171-V313 HydrophobicContact CB-CG2 3.59Å; L309-V313 HydrophobicContact CD1-CG2 4.07Å; L309-V313 HydrophobicContact CG-CG2 4.16Å; L309-V313 WeakPolarHBondContact O-CB 3.44Å; L309-V313 WeakPolarHBondContact O-CG2 3.49Å; L309-V313 PolarHBondContact O-N 3.43Å; V313-Q315 VanDerWaalsContact C-N 3.31Å; V313-Q315 PolarHBondContact O-N 2.87Å; V313-E316 PolarHBondContact O-N 2.96Å; V313-I317 HydrophobicContact CG1-CD1 3.93Å; V313-I317 WeakPolarHBondContact O-CG1 3.39Å; V313-I317 PolarHBondContact O-N 2.87Å
314S98.2Very high96.4Very high2 Ų229.2 Ų29.21%0.01416%0.159CC..Hα-helixtrans-63.5-36.8177.8-58.40000112.8I51 N54 G310 G311 V312 I317 I318I51-S314 WeakPolarHBondContact CA-OG 3.28Å; N54-S314 VanDerWaalsContact CB-CB 3.42Å; N54-S314 VanDerWaalsContact CB-OG 3.31Å; N54-S314 WeakPolarHBondContact CB-OG 3.42Å; N54-S314 WeakPolarHBondContact ND2-CB 3.16Å; N54-S314 PolarHBondContact ND2-OG 2.9Å; G310-S314 VanDerWaalsContact O-CB 3.22Å; G310-S314 WeakPolarHBondContact O-CB 3.43Å; G310-S314 PolarHBondContact O-N 3Å; G310-S314 PolarHBondContact O-OG 3.33Å; G311-S314 PolarHBondContact O-N 3.12Å; V312-S314 VanDerWaalsContact C-N 3.31Å; V312-S314 PolarHBondContact O-N 3.27Å; S314-I317 PolarHBondContact O-N 2.95Å; S314-I318 VanDerWaalsContact O-CG1 3.29Å; S314-I318 WeakPolarHBondContact O-CG1 3.44Å; S314-I318 PolarHBondContact O-N 2.71Å
315Q96.2Very high96.1Very high122 Ų12227.4 Ų27.457%0.5715%0.147SC*.Hα-helixtrans-66-40.7176-73.4176.226.200111.5G311 V312 V313 I318 R319G311-Q315 WeakPolarHBondContact O-CG 3.41Å; G311-Q315 PolarHBondContact O-N 3.29Å; V312-Q315 PolarHBondContact O-N 2.96Å; V312-Q315 VanDerWaalsContact O-N 3.16Å; V313-Q315 VanDerWaalsContact C-N 3.31Å; V313-Q315 PolarHBondContact O-N 2.87Å; Q315-I318 PolarHBondContact O-N 2.79Å; Q315-R319 WeakPolarHBondContact O-CB 3.35Å; Q315-R319 PolarHBondContact O-N 3.03Å
316E96.9Very high95.9Very high8 Ų828.8 Ų28.84%0.03716%0.159CC..Hα-helixtrans-64.7-40174.1-63.5-55.7130.100111.8I173 V312 V313 R319 A320 H328 Y332I173-E316 HydrophobicContact CD1-CB 3.51Å; I173-E316 HydrophobicContact CD1-CG 3.8Å; V312-E316 PolarHBondContact O-N 2.68Å; V312-E316 VanDerWaalsContact O-N 3.15Å; V313-E316 PolarHBondContact O-N 2.96Å; E316-R319 PolarHBondContact O-N 3.13Å; E316-R319 IonicContact OE1-CZ 3.07Å; E316-R319 IonicContact OE1-NH1 3.86Å; E316-R319 PolarHBondContact OE1-NH1 3.24Å; E316-R319 IonicContact OE1-NH2 2.99Å; E316-R319 PolarHBondContact OE1-NH2 3.27Å; E316-R319 IonicContact OE2-CZ 2.72Å; E316-R319 IonicContact OE2-NH1 2.72Å; E316-R319 PolarHBondContact OE2-NH1 3.45Å; E316-R319 IonicContact OE2-NH2 2.96Å; E316-A320 VanDerWaalsContact O-CB 3.29Å; E316-A320 WeakPolarHBondContact O-CB 3.43Å; E316-A320 PolarHBondContact O-N 3.25Å; E316-H328 IonicContact OE1-CE1 2.86Å; E316-H328 IonicContact OE1-CG 3.6Å; E316-H328 IonicContact OE1-ND1 3.14Å; E316-H328 PolarHBondContact OE1-ND1 3.41Å; E316-Y332 HydrophobicContact CG-CE1 3.92Å; E316-Y332 HydrophobicContact CG-CE2 4.3Å; E316-Y332 VanDerWaalsContact CG-OH 3.31Å; E316-Y332 WeakPolarHBondContact CG-OH 3.46Å; E316-Y332 PolarHBondContact OE1-OH 2.86Å; E316-Y332 PolarHBondContact OE2-OH 3.28Å; E316-Y332 VanDerWaalsContact OE2-OH 3.14Å
317I98.1Very high95.7Very high1 Ų129 Ų291%0.00516%0.16CC..Hα-helixtrans-57.7-52.9173.9-71.1164000111I51 I55 L126 I128 I160 V313 S314 R319 A320 I321I51-I317 HydrophobicContact CG2-CD1 3.78Å; I55-I317 HydrophobicContact CG2-CB 4.25Å; I55-I317 HydrophobicContact CG2-CD1 4.04Å; I55-I317 HydrophobicContact CG2-CG2 3.75Å; L126-I317 HydrophobicContact CD2-CB 4.39Å; L126-I317 HydrophobicContact CD2-CD1 4.36Å; L126-I317 HydrophobicContact CD2-CG1 4.02Å; L126-I317 HydrophobicContact CD2-CG2 3.52Å; I128-I317 HydrophobicContact CD1-CD1 3.6Å; I128-I317 HydrophobicContact CG1-CD1 4.33Å; I160-I317 HydrophobicContact CD1-CB 4.41Å; I160-I317 HydrophobicContact CD1-CD1 3.82Å; I160-I317 HydrophobicContact CD1-CG1 3.13Å; V313-I317 HydrophobicContact CG1-CD1 3.93Å; V313-I317 WeakPolarHBondContact O-CG1 3.39Å; V313-I317 PolarHBondContact O-N 2.87Å; S314-I317 PolarHBondContact O-N 2.95Å; I317-R319 VanDerWaalsContact C-N 3.26Å; I317-R319 PolarHBondContact O-N 2.9Å; I317-A320 PolarHBondContact O-N 2.96Å; I317-I321 HydrophobicContact CG2-CD1 3.68Å; I317-I321 HydrophobicContact CG2-CG1 4.45Å; I317-I321 WeakPolarHBondContact O-CG1 3.49Å; I317-I321 PolarHBondContact O-N 3.13Å
318I97.1Very high95.5Very high28 Ų2831.7 Ų31.714%0.14417%0.168CC..Hα-helixtrans-61.9-40.4-178.5-68165.3000109.4W26 A58 S314 Q315 I321 T322W26-I318 HydrophobicContact CE3-CG2 4.3Å; W26-I318 HydrophobicContact CH2-CG2 3.72Å; W26-I318 HydrophobicContact CZ2-CG2 4.44Å; W26-I318 HydrophobicContact CZ3-CG2 3.63Å; A58-I318 HydrophobicContact CB-CD1 3.85Å; A58-I318 HydrophobicContact CB-CG1 4.01Å; S314-I318 VanDerWaalsContact O-CG1 3.29Å; S314-I318 WeakPolarHBondContact O-CG1 3.44Å; S314-I318 PolarHBondContact O-N 2.71Å; Q315-I318 PolarHBondContact O-N 2.79Å; I318-I321 PolarHBondContact O-N 3.45Å; I318-T322 HydrophobicContact CG2-CG2 4.06Å; I318-T322 VanDerWaalsContact O-CB 3.26Å; I318-T322 WeakPolarHBondContact O-CB 3.48Å; I318-T322 WeakPolarHBondContact O-CG2 3.34Å; I318-T322 PolarHBondContact O-N 3.48Å; I318-T322 PolarHBondContact O-OG1 3.04Å
319R95.7Very high95.4Very high32 Ų3228.8 Ų28.812%0.12115%0.15CC..Hα-helixtrans-61.7-48.2176.3-157-179.8-56.7125.525.5112.5Q315 E316 I317 I321 T322 R323 K324 A326 H328Q315-R319 WeakPolarHBondContact O-CB 3.35Å; Q315-R319 PolarHBondContact O-N 3.03Å; E316-R319 PolarHBondContact O-N 3.13Å; E316-R319 IonicContact OE1-CZ 3.07Å; E316-R319 IonicContact OE1-NH1 3.86Å; E316-R319 PolarHBondContact OE1-NH1 3.24Å; E316-R319 IonicContact OE1-NH2 2.99Å; E316-R319 PolarHBondContact OE1-NH2 3.27Å; E316-R319 IonicContact OE2-CZ 2.72Å; E316-R319 IonicContact OE2-NH1 2.72Å; E316-R319 PolarHBondContact OE2-NH1 3.45Å; E316-R319 IonicContact OE2-NH2 2.96Å; I317-R319 VanDerWaalsContact C-N 3.26Å; I317-R319 PolarHBondContact O-N 2.9Å; R319-I321 PolarHBondContact O-N 3.08Å; R319-T322 PolarHBondContact O-N 3.39Å; R319-T322 PolarHBondContact O-OG1 3.24Å; R319-R323 WeakPolarHBondContact O-CA 3.33Å; R319-R323 PolarHBondContact O-N 3.43Å; R319-K324 WeakPolarHBondContact CG-O 3.47Å; R319-A326 WeakPolarHBondContact CD-O 3.44Å; R319-A326 PolarHBondContact NH1-O 2.82Å; R319-A326 VanDerWaalsContact NH1-O 3.1Å; R319-H328 PolarHBondContact NH1-CE1 2.99Å; R319-H328 VanDerWaalsContact NH1-CG 3.27Å; R319-H328 PolarHBondContact NH1-ND1 3.01Å; R319-H328 PolarHBondContact NH1-NE2 2.88Å; R319-H328 PolarHBondContact NH2-CE1 3.15Å; R319-H328 PolarHBondContact NH2-ND1 3.4Å
320A96.6Very high95.3Very high6 Ų628.8 Ų28.85%0.0515%0.15CC..Hα-helixtrans-60.4-44.417900000111.8Y158 L175 H178 E316 I317Y158-A320 HydrophobicContact CD2-CB 4.26Å; Y158-A320 HydrophobicContact CE2-CB 4.14Å; L175-A320 HydrophobicContact CD1-CB 3.56Å; L175-A320 HydrophobicContact CD2-CB 3.98Å; L175-A320 HydrophobicContact CG-CB 4.44Å; H178-A320 PolarHBondContact CE1-O 3.32Å; E316-A320 VanDerWaalsContact O-CB 3.29Å; E316-A320 WeakPolarHBondContact O-CB 3.43Å; E316-A320 PolarHBondContact O-N 3.25Å; I317-A320 PolarHBondContact O-N 2.96Å
321I96.9Very high95.2Very high11 Ų1128.8 Ų28.86%0.05615%0.15CC..Hα-helixtrans-71.2-45.7-179.9-65.7170.4000111R33 L34 S37 I60 L126 I317 I318 R319 R323R33-I321 HydrophobicContact CB-CG2 4.29Å; R33-I321 WeakPolarHBondContact CB-O 3.42Å; R33-I321 WeakPolarHBondContact CD-O 3.29Å; L34-I321 HydrophobicContact CB-CG2 4.41Å; L34-I321 HydrophobicContact CD2-CB 4.02Å; L34-I321 HydrophobicContact CD2-CD1 4.22Å; L34-I321 HydrophobicContact CD2-CG2 3.65Å; L34-I321 HydrophobicContact CG-CG2 3.9Å; S37-I321 WeakPolarHBondContact OG-CG2 3.12Å; I60-I321 HydrophobicContact CG2-CD1 4.42Å; L126-I321 HydrophobicContact CD2-CD1 4.32Å; I317-I321 HydrophobicContact CG2-CD1 3.68Å; I317-I321 HydrophobicContact CG2-CG1 4.45Å; I317-I321 WeakPolarHBondContact O-CG1 3.49Å; I317-I321 PolarHBondContact O-N 3.13Å; I318-I321 PolarHBondContact O-N 3.45Å; R319-I321 PolarHBondContact O-N 3.08Å; I321-R323 PolarHBondContact O-N 3.22Å
322T95.4Very high95.2Very high2 Ų228.1 Ų28.11%0.01214%0.143CC..Hα-helixtrans-69.9-22.4-178.556.90000112.7W26 S30 R33 L34 I318 R319 K324W26-T322 HydrophobicContact CD2-CG2 4.05Å; W26-T322 HydrophobicContact CE3-CG2 4.44Å; W26-T322 HydrophobicContact CG-CG2 4.18Å; S30-T322 PolarHBondContact OG-O 3.39Å; R33-T322 PolarHBondContact NE-O 2.81Å; R33-T322 VanDerWaalsContact NE-O 3.07Å; R33-T322 PolarHBondContact NH2-O 3.05Å; L34-T322 HydrophobicContact CD1-CG2 3.66Å; L34-T322 HydrophobicContact CG-CG2 3.96Å; I318-T322 HydrophobicContact CG2-CG2 4.06Å; I318-T322 VanDerWaalsContact O-CB 3.26Å; I318-T322 WeakPolarHBondContact O-CB 3.48Å; I318-T322 WeakPolarHBondContact O-CG2 3.34Å; I318-T322 PolarHBondContact O-N 3.48Å; I318-T322 PolarHBondContact O-OG1 3.04Å; R319-T322 PolarHBondContact O-N 3.39Å; R319-T322 PolarHBondContact O-OG1 3.24Å; T322-K324 PolarHBondContact O-N 3.31Å
323R94.9Very high95.3Very high97 Ų9726.8 Ų26.837%0.36614%0.135SC..THydrogen-bonded Turntrans59.232-172.9-59.7-176.5179.5-160.7-0.5112.4E179 C180 L181 R319 I321E179-R323 VanDerWaalsContact O-CD 3.32Å; E179-R323 WeakPolarHBondContact O-CD 3.43Å; E179-R323 WeakPolarHBondContact O-CG 3.45Å; C180-R323 HydrophobicContact CB-CB 4.42Å; L181-R323 PolarHBondContact N-O 3.3Å; R319-R323 WeakPolarHBondContact O-CA 3.33Å; R319-R323 PolarHBondContact O-N 3.43Å; I321-R323 PolarHBondContact O-N 3.22Å
324K90.9Very high95.2Very high67 Ų6727.3 Ų27.329%0.29114%0.137SC..BIsolated β-bridgetrans-118.4109.6-176.4-74.9-68.4-1711770111W26 S30 L181 R319 T322W26-K324 HydrophobicContact CB-CB 4.42Å; W26-K324 HydrophobicContact CB-CG 4.04Å; W26-K324 VanDerWaalsContact O-CE 3.26Å; W26-K324 WeakPolarHBondContact O-CE 3.49Å; S30-K324 WeakPolarHBondContact OG-CG 3.34Å; L181-K324 HydrophobicContact CB-CD 4.47Å; L181-K324 HydrophobicContact CD1-CD 4.3Å; R319-K324 WeakPolarHBondContact CG-O 3.47Å; T322-K324 PolarHBondContact O-N 3.31Å
325G87.4Confident95.1Very high28 Ų2828 Ų2829%0.28914%0.14SC..SBendtrans96.5150.5-174.300000111.7C180 L181C180-G325 PolarHBondContact SG-O 3.28Å; L181-G325 WeakPolarHBondContact O-CA 3.43Å; L181-G325 PolarHBondContact O-N 3.29Å
326A90.6Very high95Very high32 Ų3222.8 Ų22.826%0.26412%0.119SC..  trans-70.8142.617500000110.5F221 R319F221-A326 HydrophobicContact CE2-CB 4.12Å; F221-A326 HydrophobicContact CZ-CB 3.73Å; R319-A326 WeakPolarHBondContact CD-O 3.44Å; R319-A326 PolarHBondContact NH1-O 2.82Å; R319-A326 VanDerWaalsContact NH1-O 3.1Å
327P92.8Very high94.6Very high10 Ų1025.7 Ų25.77%0.06514%0.14CC..  trans-63.7149.6167.7-12.126.1000111.2F221 Y223 W345F221-P327 HydrophobicContact CD2-CG 4.15Å; F221-P327 HydrophobicContact CG-CG 4.23Å; Y223-P327 HydrophobicContact CE2-CG 4.23Å; Y223-P327 WeakPolarHBondContact OH-CB 3.49Å; Y223-P327 VanDerWaalsContact OH-CG 3.32Å; Y223-P327 WeakPolarHBondContact OH-CG 3.45Å; P327-W345 HydrophobicContact CB-CH2 4.24Å; P327-W345 HydrophobicContact CB-CZ2 4.16Å
328H93Very high94.3Very high109 Ų10931.5 Ų31.551%0.50517%0.167SC..  trans-87.1-25.4-176.7-62.4139.6000113.6E316 R319 V343 W345E316-H328 IonicContact OE1-CE1 2.86Å; E316-H328 IonicContact OE1-CG 3.6Å; E316-H328 IonicContact OE1-ND1 3.14Å; E316-H328 PolarHBondContact OE1-ND1 3.41Å; R319-H328 PolarHBondContact NH1-CE1 2.99Å; R319-H328 VanDerWaalsContact NH1-CG 3.27Å; R319-H328 PolarHBondContact NH1-ND1 3.01Å; R319-H328 PolarHBondContact NH1-NE2 2.88Å; R319-H328 PolarHBondContact NH2-CE1 3.15Å; R319-H328 PolarHBondContact NH2-ND1 3.4Å; H328-V343 HydrophobicContact CB-CG1 3.81Å; H328-W345 PolarHBondContact O-NE1 3.27Å
329G94.2Very high94Very high0 Ų035.2 Ų35.20%020%0.195CC..  trans170.2172.9-17500000111.4Y332G329-Y332 PolarHBondContact N-OH 2.67Å; G329-Y332 VanDerWaalsContact O-CE2 3.29Å; G329-Y332 WeakPolarHBondContact O-CE2 3.43Å; G329-Y332 PolarHBondContact O-OH 2.8Å; G329-Y332 VanDerWaalsContact O-OH 3.08Å
330N95.6Very high93.8Very high1 Ų135.5 Ų35.51%0.00520%0.202CC..SBendtrans-102.8-16.7174.569.3-24.9000112.9F172 I173 Y223 D344 W345 L346F172-N330 CarbonylContact C-O 3.51Å; F172-N330 VanDerWaalsContact CA-O 3.3Å; F172-N330 WeakPolarHBondContact CA-O 3.49Å; F172-N330 WeakPolarHBondContact CD2-O 3.49Å; I173-N330 PolarHBondContact N-O 3.15Å; I173-N330 WeakPolarHBondContact O-CB 3.42Å; Y223-N330 HydrophobicContact CD1-CB 3.71Å; Y223-N330 HydrophobicContact CE1-CB 3.84Å; N330-D344 PolarHBondContact N-O 2.98Å; N330-D344 VanDerWaalsContact N-O 3.16Å; N330-D344 PolarHBondContact OD1-O 3.14Å; N330-W345 HydrophobicContact CB-CE3 4.26Å; N330-W345 HydrophobicContact CB-CZ3 4.35Å; N330-W345 VanDerWaalsContact OD1-CA 3.29Å; N330-W345 WeakPolarHBondContact OD1-CA 3.43Å; N330-L346 PolarHBondContact ND2-O 3.29Å; N330-L346 PolarHBondContact OD1-N 2.78Å
331W96.9Very high93.6Very high0 Ų037.8 Ų37.80%022%0.215CC..EExtended strand (participates in β ladder)trans-120.9136.2173.7-74.792.2000111.9L170 A171 F172 L226 S229 L230 M253 F333 V343 D344 L346L170-W331 HydrophobicContact CD1-CZ3 4.23Å; A171-W331 WeakPolarHBondContact O-CA 3.39Å; F172-W331 HydrophobicContact CB-CD2 4.34Å; F172-W331 HydrophobicContact CB-CE3 4.06Å; F172-W331 HydrophobicContact CB-CH2 4.02Å; F172-W331 HydrophobicContact CB-CZ2 4.31Å; F172-W331 HydrophobicContact CB-CZ3 3.89Å; F172-W331 AromaticContact CD2-CD2 3.85Å; F172-W331 HydrophobicContact CD2-CD2 3.85Å; F172-W331 AromaticContact CD2-CE2 3.38Å; F172-W331 HydrophobicContact CD2-CE3 4.4Å; F172-W331 HydrophobicContact CD2-CG 4.31Å; F172-W331 HydrophobicContact CD2-CH2 4.15Å; F172-W331 AromaticContact CD2-CZ2 3.57Å; F172-W331 HydrophobicContact CD2-CZ2 3.57Å; F172-W331 AromaticContact CD2-NE1 3.56Å; F172-W331 HydrophobicContact CE2-CZ2 4.21Å; F172-W331 AromaticContact CE2-NE1 3.82Å; F172-W331 HydrophobicContact CG-CH2 4.28Å; F172-W331 HydrophobicContact CG-CZ2 4.13Å; L226-W331 HydrophobicContact CD1-CH2 3.72Å; L226-W331 HydrophobicContact CD1-CZ2 3.69Å; S229-W331 PolarHBondContact OG-NE1 3.41Å; L230-W331 HydrophobicContact CD2-CH2 4.28Å; L230-W331 HydrophobicContact CD2-CZ2 4.09Å; M253-W331 HydrophobicContact CE-CH2 4.46Å; M253-W331 HydrophobicContact SD-CE3 4.46Å; M253-W331 HydrophobicContact SD-CH2 3.33Å; M253-W331 WeakPolarHBondContact SD-CH2 3.3Å; M253-W331 HydrophobicContact SD-CZ2 4.38Å; M253-W331 HydrophobicContact SD-CZ3 3.38Å; M253-W331 WeakPolarHBondContact SD-CZ3 3.5Å; W331-F333 HydrophobicContact CB-CE2 3.75Å; W331-F333 HydrophobicContact CB-CZ 3.97Å; W331-F333 AromaticContact CD2-CZ 3.98Å; W331-F333 HydrophobicContact CD2-CZ 3.98Å; W331-F333 AromaticContact CE3-CE1 3.82Å; W331-F333 HydrophobicContact CE3-CE1 3.82Å; W331-F333 HydrophobicContact CE3-CE2 4.47Å; W331-F333 AromaticContact CE3-CZ 3.55Å; W331-F333 HydrophobicContact CE3-CZ 3.55Å; W331-F333 HydrophobicContact CG-CE2 4.4Å; W331-F333 HydrophobicContact CG-CZ 4.2Å; W331-F333 HydrophobicContact CZ3-CE1 4.34Å; W331-F333 HydrophobicContact CZ3-CZ 4.34Å; W331-V343 WeakPolarHBondContact O-CA 3.42Å; W331-D344 PolarHBondContact N-O 3.41Å; W331-D344 PolarHBondContact O-N 3.25Å; W331-L346 HydrophobicContact CB-CD1 4.13Å; W331-L346 HydrophobicContact CG-CB 4.42Å; W331-L346 HydrophobicContact CG-CD1 4.03Å
332Y97.9Very high93.5Very high1 Ų140.3 Ų40.30%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-127.2128.9177.6-62.3-105.2000108.1L170 A171 I173 V312 E316 G329 V341 T342 V343L170-Y332 CarbonylContact C-O 3.49Å; L170-Y332 VanDerWaalsContact CA-O 3.23Å; L170-Y332 WeakPolarHBondContact CA-O 3.34Å; A171-Y332 PolarHBondContact N-O 2.82Å; A171-Y332 PolarHBondContact O-N 3.33Å; I173-Y332 HydrophobicContact CD1-CD2 4.12Å; I173-Y332 HydrophobicContact CD1-CE2 3.51Å; I173-Y332 HydrophobicContact CG1-CD2 4.33Å; I173-Y332 HydrophobicContact CG1-CE2 4.01Å; V312-Y332 HydrophobicContact CG1-CD1 3.53Å; V312-Y332 HydrophobicContact CG1-CE1 3.88Å; V312-Y332 HydrophobicContact CG1-CG 4.45Å; E316-Y332 HydrophobicContact CG-CE1 3.92Å; E316-Y332 HydrophobicContact CG-CE2 4.3Å; E316-Y332 VanDerWaalsContact CG-OH 3.31Å; E316-Y332 WeakPolarHBondContact CG-OH 3.46Å; E316-Y332 PolarHBondContact OE1-OH 2.86Å; E316-Y332 PolarHBondContact OE2-OH 3.28Å; E316-Y332 VanDerWaalsContact OE2-OH 3.14Å; G329-Y332 PolarHBondContact N-OH 2.67Å; G329-Y332 VanDerWaalsContact O-CE2 3.29Å; G329-Y332 WeakPolarHBondContact O-CE2 3.43Å; G329-Y332 PolarHBondContact O-OH 2.8Å; G329-Y332 VanDerWaalsContact O-OH 3.08Å; Y332-V341 HydrophobicContact CD1-CG1 4.41Å; Y332-T342 CarbonylContact C-O 3.29Å; Y332-T342 WeakPolarHBondContact CA-O 3.38Å; Y332-V343 HydrophobicContact CD1-CB 4.21Å; Y332-V343 HydrophobicContact CD1-CG1 3.84Å; Y332-V343 HydrophobicContact CD1-CG2 3.45Å; Y332-V343 VanDerWaalsContact CD1-CG2 3.45Å; Y332-V343 HydrophobicContact CE1-CB 4.1Å; Y332-V343 HydrophobicContact CE1-CG1 3.37Å; Y332-V343 HydrophobicContact CE1-CG2 3.56Å; Y332-V343 HydrophobicContact CE2-CG1 4.19Å; Y332-V343 HydrophobicContact CG-CG1 4.4Å; Y332-V343 HydrophobicContact CG-CG2 4.39Å
333F97.4Very high93.4Very high5 Ų542.6 Ų42.62%0.02225%0.245CC..EExtended strand (participates in β ladder)trans-128.5113.3177-57.1-70.9000109.2F168 G169 L170 P247 G249 M253 W331 V341 T342 L346F168-F333 HydrophobicContact CE2-CB 4.29Å; F168-F333 AromaticContact CZ-CD1 3.96Å; F168-F333 HydrophobicContact CZ-CD1 3.96Å; G169-F333 CarbonylContact O-C 3.59Å; L170-F333 HydrophobicContact CB-CD1 3.96Å; L170-F333 HydrophobicContact CB-CE1 4.26Å; P247-F333 HydrophobicContact CB-CD2 4.2Å; P247-F333 HydrophobicContact CB-CE2 4.35Å; P247-F333 HydrophobicContact CG-CD2 4.03Å; P247-F333 HydrophobicContact CG-CE2 3.7Å; G249-F333 VanDerWaalsContact C-CD1 3.41Å; G249-F333 WeakPolarHBondContact O-CD1 3.37Å; G249-F333 WeakPolarHBondContact O-CE1 3.26Å; M253-F333 HydrophobicContact CB-CE1 4.45Å; W331-F333 HydrophobicContact CB-CE2 3.75Å; W331-F333 HydrophobicContact CB-CZ 3.97Å; W331-F333 AromaticContact CD2-CZ 3.98Å; W331-F333 HydrophobicContact CD2-CZ 3.98Å; W331-F333 AromaticContact CE3-CE1 3.82Å; W331-F333 HydrophobicContact CE3-CE1 3.82Å; W331-F333 HydrophobicContact CE3-CE2 4.47Å; W331-F333 AromaticContact CE3-CZ 3.55Å; W331-F333 HydrophobicContact CE3-CZ 3.55Å; W331-F333 HydrophobicContact CG-CE2 4.4Å; W331-F333 HydrophobicContact CG-CZ 4.2Å; W331-F333 HydrophobicContact CZ3-CE1 4.34Å; W331-F333 HydrophobicContact CZ3-CZ 4.34Å; F333-V341 CarbonylContact O-C 3.57Å; F333-V341 WeakPolarHBondContact O-CA 3.34Å; F333-T342 PolarHBondContact N-O 3.13Å; F333-T342 PolarHBondContact O-N 3.36Å; F333-L346 HydrophobicContact CE2-CD1 4.15Å
334F97.6Very high93.3Very high12 Ų1240.4 Ų40.45%0.05324%0.24CC..EExtended strand (participates in β ladder)trans-96.4126.8175.5175.6-110.6000110.4F168 G169 V305 V308 S340 V341F168-F334 WeakPolarHBondContact CA-O 3.27Å; F168-F334 WeakPolarHBondContact CD2-O 3.23Å; G169-F334 PolarHBondContact N-O 3.31Å; G169-F334 PolarHBondContact O-N 2.67Å; V305-F334 HydrophobicContact CB-CE1 4.23Å; V305-F334 HydrophobicContact CG1-CD1 3.72Å; V305-F334 HydrophobicContact CG1-CE1 3.82Å; V305-F334 HydrophobicContact CG2-CE1 4.1Å; V308-F334 HydrophobicContact CB-CE1 4.49Å; V308-F334 HydrophobicContact CB-CE2 4.34Å; V308-F334 HydrophobicContact CB-CZ 4.16Å; V308-F334 HydrophobicContact CG1-CD2 3.84Å; V308-F334 HydrophobicContact CG1-CE1 4.45Å; V308-F334 HydrophobicContact CG1-CE2 3.53Å; V308-F334 HydrophobicContact CG1-CG 4.41Å; V308-F334 HydrophobicContact CG1-CZ 3.85Å; V308-F334 HydrophobicContact CG2-CZ 4.36Å; F334-S340 WeakPolarHBondContact CA-O 3.36Å; F334-S340 VanDerWaalsContact CD2-O 3.23Å; F334-S340 WeakPolarHBondContact CD2-O 3.27Å; F334-V341 HydrophobicContact CB-CG2 4.25Å; F334-V341 HydrophobicContact CD2-CG2 3.57Å; F334-V341 HydrophobicContact CE2-CG2 4.43Å; F334-V341 HydrophobicContact CG-CG2 4.34Å
335N95.3Very high93.3Very high16 Ų1639.6 Ų39.69%0.08624%0.235CC..EExtended strand (participates in β ladder)trans-113.9106171.8-173.8-17.5000109.9S337 Q338 C339 S340N335-S337 VanDerWaalsContact C-N 3.32Å; N335-S337 PolarHBondContact O-N 3.01Å; N335-S337 PolarHBondContact OD1-N 3.21Å; N335-S337 PolarHBondContact OD1-OG 3.16Å; N335-Q338 CarbonylContact O-C 3.52Å; N335-Q338 PolarHBondContact O-N 2.86Å; N335-C339 WeakPolarHBondContact O-CA 3.33Å; N335-C339 PolarHBondContact O-N 3.48Å; N335-S340 PolarHBondContact N-O 2.87Å; N335-S340 PolarHBondContact O-N 3.3Å; N335-S340 VanDerWaalsContact O-N 3.15Å
336G93.3Very high93.3Very high12 Ų1238.5 Ų38.512%0.12422%0.223CC..THydrogen-bonded Turntrans-69.2-22.2-179.300000114.6L167 Q338 C339L167-G336 VanDerWaalsContact O-CA 3.29Å; L167-G336 WeakPolarHBondContact O-CA 3.27Å; L167-G336 PolarHBondContact O-N 3.19Å; G336-Q338 VanDerWaalsContact C-N 3.28Å; G336-Q338 PolarHBondContact O-N 3.43Å; G336-C339 PolarHBondContact O-N 3.18Å
337S90Very high92.7Very high69 Ų6938.7 Ų38.748%0.48322%0.221SC..THydrogen-bonded Turntrans-70-30.5174.773.10000111.7N335N335-S337 VanDerWaalsContact C-N 3.32Å; N335-S337 PolarHBondContact O-N 3.01Å; N335-S337 PolarHBondContact OD1-N 3.21Å; N335-S337 PolarHBondContact OD1-OG 3.16Å
338Q90.7Very high91.6Very high123 Ų12342.2 Ų42.258%0.57524%0.244SC*.THydrogen-bonded Turntrans-100.1-6.8177.3-63.8178.2-4.900113.1N335 G336 S340N335-Q338 CarbonylContact O-C 3.52Å; N335-Q338 PolarHBondContact O-N 2.86Å; G336-Q338 VanDerWaalsContact C-N 3.28Å; G336-Q338 PolarHBondContact O-N 3.43Å; Q338-S340 WeakPolarHBondContact CB-OG 3.39Å; Q338-S340 PolarHBondContact O-N 3.28Å
339C90.7Very high90.2Very high107 Ų10739.6 Ų39.672%0.72323%0.234SC*.THydrogen-bonded Turntrans49.739.7-171.4-67.20000112.7N335 G336N335-C339 WeakPolarHBondContact O-CA 3.33Å; N335-C339 PolarHBondContact O-N 3.48Å; G336-C339 PolarHBondContact O-N 3.18Å
340S92.1Very high88.3Confident38 Ų3849.3 Ų49.327%0.26628%0.279SS..EExtended strand (participates in β ladder)trans-122.4146.8-174.164.30000111.3F334 N335 Q338F334-S340 WeakPolarHBondContact CA-O 3.36Å; F334-S340 VanDerWaalsContact CD2-O 3.23Å; F334-S340 WeakPolarHBondContact CD2-O 3.27Å; N335-S340 PolarHBondContact N-O 2.87Å; N335-S340 PolarHBondContact O-N 3.3Å; N335-S340 VanDerWaalsContact O-N 3.15Å; Q338-S340 WeakPolarHBondContact CB-OG 3.39Å; Q338-S340 PolarHBondContact O-N 3.28Å
341V93Very high86Confident53 Ų5358.7 Ų58.732%0.32132%0.323SS..EExtended strand (participates in β ladder)trans-115.6120.8169.7-177.40000107.2V312 Y332 F333 F334 V343V312-V341 HydrophobicContact CG2-CG2 4.33Å; Y332-V341 HydrophobicContact CD1-CG1 4.41Å; F333-V341 CarbonylContact O-C 3.57Å; F333-V341 WeakPolarHBondContact O-CA 3.34Å; F334-V341 HydrophobicContact CB-CG2 4.25Å; F334-V341 HydrophobicContact CD2-CG2 3.57Å; F334-V341 HydrophobicContact CE2-CG2 4.43Å; F334-V341 HydrophobicContact CG-CG2 4.34Å; V341-V343 HydrophobicContact CG1-CG2 3.87Å
342T93.8Very high83.1Confident65 Ų6565.3 Ų65.340%0.39937%0.37SS..EExtended strand (participates in β ladder)trans-91.1130.8167.1-46.10000108.4P247 Y332 F333 D344P247-T342 HydrophobicContact CB-CG2 4.28Å; Y332-T342 CarbonylContact C-O 3.29Å; Y332-T342 WeakPolarHBondContact CA-O 3.38Å; F333-T342 PolarHBondContact N-O 3.13Å; F333-T342 PolarHBondContact O-N 3.36Å; T342-D344 WeakPolarHBondContact CG2-OD2 3.47Å
343V94.4Very high82.3Confident50 Ų5068.6 Ų68.630%0.30339%0.388SS..EExtended strand (participates in β ladder)trans-123.5122.9177.8-1730000107.6H328 W331 Y332 V341H328-V343 HydrophobicContact CB-CG1 3.81Å; W331-V343 WeakPolarHBondContact O-CA 3.42Å; Y332-V343 HydrophobicContact CD1-CB 4.21Å; Y332-V343 HydrophobicContact CD1-CG1 3.84Å; Y332-V343 HydrophobicContact CD1-CG2 3.45Å; Y332-V343 VanDerWaalsContact CD1-CG2 3.45Å; Y332-V343 HydrophobicContact CE1-CB 4.1Å; Y332-V343 HydrophobicContact CE1-CG1 3.37Å; Y332-V343 HydrophobicContact CE1-CG2 3.56Å; Y332-V343 HydrophobicContact CE2-CG1 4.19Å; Y332-V343 HydrophobicContact CG-CG1 4.4Å; Y332-V343 HydrophobicContact CG-CG2 4.39Å; V341-V343 HydrophobicContact CG1-CG2 3.87Å
344D92Very high81.5Confident51 Ų5171.9 Ų71.927%0.27341%0.407SS..EExtended strand (participates in β ladder)trans-135.8151.5-175.9-70.5-70.4000111.1P247 N330 W331 T342 L346P247-D344 WeakPolarHBondContact CG-OD2 3.28Å; N330-D344 PolarHBondContact N-O 2.98Å; N330-D344 VanDerWaalsContact N-O 3.16Å; N330-D344 PolarHBondContact OD1-O 3.14Å; W331-D344 PolarHBondContact N-O 3.41Å; W331-D344 PolarHBondContact O-N 3.25Å; T342-D344 WeakPolarHBondContact CG2-OD2 3.47Å; D344-L346 HydrophobicContact CB-CD1 4.4Å; D344-L346 HydrophobicContact CB-CD2 4.17Å; D344-L346 HydrophobicContact CB-CG 3.93Å
345W91.5Very high80.6Confident49 Ų4975.2 Ų75.219%0.18643%0.427CS..  trans-87.4112.8159.1-68.193.3000107.7F221 Y223 P327 H328 N330 P347 P348F221-W345 HydrophobicContact CB-CH2 4.17Å; F221-W345 HydrophobicContact CD1-CH2 4.04Å; F221-W345 AromaticContact CD1-CZ2 3.93Å; F221-W345 HydrophobicContact CD1-CZ2 3.93Å; F221-W345 HydrophobicContact CE1-CZ2 4.48Å; F221-W345 HydrophobicContact CG-CH2 4.43Å; Y223-W345 HydrophobicContact CD1-CZ3 4.06Å; Y223-W345 HydrophobicContact CD2-CH2 4.39Å; Y223-W345 HydrophobicContact CD2-CZ3 4.29Å; Y223-W345 AromaticContact CE1-CH2 4Å; Y223-W345 HydrophobicContact CE1-CH2 4Å; Y223-W345 AromaticContact CE1-CZ3 3.9Å; Y223-W345 HydrophobicContact CE1-CZ3 3.9Å; Y223-W345 AromaticContact CE2-CH2 3.78Å; Y223-W345 HydrophobicContact CE2-CH2 3.78Å; Y223-W345 HydrophobicContact CE2-CZ3 4.11Å; Y223-W345 HydrophobicContact CG-CZ3 4.29Å; Y223-W345 AromaticContact CZ-CH2 3.59Å; Y223-W345 AromaticContact CZ-CZ3 3.93Å; P327-W345 HydrophobicContact CB-CH2 4.24Å; P327-W345 HydrophobicContact CB-CZ2 4.16Å; H328-W345 PolarHBondContact O-NE1 3.27Å; N330-W345 HydrophobicContact CB-CE3 4.26Å; N330-W345 HydrophobicContact CB-CZ3 4.35Å; N330-W345 VanDerWaalsContact OD1-CA 3.29Å; N330-W345 WeakPolarHBondContact OD1-CA 3.43Å; W345-P347 VanDerWaalsContact C-C 3.49Å; W345-P347 CarbonylContact C-O 3.48Å; W345-P347 CarbonylContact O-C 3.57Å; W345-P348 VanDerWaalsContact O-CA 3.32Å; W345-P348 WeakPolarHBondContact O-CA 3.25Å; W345-P348 VanDerWaalsContact O-N 3.09Å
346L86.7Confident79.8Confident6 Ų678.7 Ų78.73%0.03145%0.447CS..SBendtrans-122.8115.7174.8-54.9171.2000110.3S229 I233 P247 N330 W331 F333 D344S229-L346 PolarHBondContact OG-O 3.04Å; I233-L346 HydrophobicContact CD1-CB 3.72Å; I233-L346 HydrophobicContact CD1-CD1 4.09Å; I233-L346 HydrophobicContact CD1-CG 4.46Å; I233-L346 HydrophobicContact CG1-CB 4.14Å; P247-L346 HydrophobicContact CG-CD1 3.85Å; N330-L346 PolarHBondContact ND2-O 3.29Å; N330-L346 PolarHBondContact OD1-N 2.78Å; W331-L346 HydrophobicContact CB-CD1 4.13Å; W331-L346 HydrophobicContact CG-CB 4.42Å; W331-L346 HydrophobicContact CG-CD1 4.03Å; F333-L346 HydrophobicContact CE2-CD1 4.15Å; D344-L346 HydrophobicContact CB-CD1 4.4Å; D344-L346 HydrophobicContact CB-CD2 4.17Å; D344-L346 HydrophobicContact CB-CG 3.93Å
347P77.8Confident78.9Confident35 Ų3582.9 Ų82.923%0.22747%0.467CS..SBendcis-63.7159.7-5.534.5-40.5000111.9L232 W345L232-P347 HydrophobicContact CB-CB 4.38Å; L232-P347 HydrophobicContact CB-CG 4.43Å; L232-P347 HydrophobicContact CD1-CB 4.47Å; L232-P347 HydrophobicContact CD1-CG 3.74Å; W345-P347 VanDerWaalsContact C-C 3.49Å; W345-P347 CarbonylContact C-O 3.48Å; W345-P347 CarbonylContact O-C 3.57Å
348P69.1Low78.2Confident84 Ų8483.8 Ų83.855%0.54547%0.466SS..PPolyproline II helixtrans-56.4143.6171.2-19.730.8000110.1W345 E350W345-P348 VanDerWaalsContact O-CA 3.32Å; W345-P348 WeakPolarHBondContact O-CA 3.25Å; W345-P348 VanDerWaalsContact O-N 3.09Å; P348-E350 PolarHBondContact O-N 3.27Å
349D64.2Low77.3Confident55 Ų5581 Ų8129%0.29446%0.459SS..PPolyproline II helixtrans-59.4137.3173.6-77.8-30.7000109.7E351 S352D349-E351 PolarHBondContact O-N 3.27Å; D349-S352 PolarHBondContact O-N 2.82Å; D349-S352 VanDerWaalsContact O-N 3.08Å; D349-S352 PolarHBondContact O-OG 2.6Å
350E54.9Low76.3Confident203 Ų20379 Ų7995%0.94944%0.438SS*.THydrogen-bonded Turntrans-61.1-16.1176.1-69.3-172.4169.700112.8P348P348-E350 PolarHBondContact O-N 3.27Å
351E45.8Very low75Confident198 Ų19882.4 Ų82.493%0.92545%0.453SS*.THydrogen-bonded Turntrans-93.8-4.2178.1-66.9-169.5166.900114.8D349D349-E351 PolarHBondContact O-N 3.27Å
352S36.5Very low73.3Confident140 Ų14085.1 Ų85.198%0.97947%0.465SS*.  trans-87.60172.269.10000111.9D349D349-S352 PolarHBondContact O-N 2.82Å; D349-S352 VanDerWaalsContact O-N 3.08Å; D349-S352 PolarHBondContact O-OG 2.6Å

Retrieved 352 of 352 residues in 83.3 ms (Link to these results)

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