A0A087X390_POEFO Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A087X390, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 237 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
1M94Very high97.5Very high177 Ų17744.2 Ų44.287%0.87223%0.229SC*.  0-61.30-170.3-179.2-73.800111.4A3 G4 L5 M57M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 2.8Å; M1-G4 WeakPolarHBondContact O-CA 3.21Å; M1-G4 PolarHBondContact O-N 2.93Å; M1-L5 PolarHBondContact O-N 2.83Å; M1-L5 VanDerWaalsContact O-N 3.13Å; M1-M57 HydrophobicContact CB-CE 4.14Å; M1-M57 HydrophobicContact CB-SD 4.48Å; M1-M57 HydrophobicContact CG-CE 4.14Å; M1-M57 HydrophobicContact CG-SD 4.2Å; M1-M57 HydrophobicContact SD-CE 3.91Å; M1-M57 HydrophobicContact SD-SD 4.44Å
2A97.4Very high97.6Very high3 Ų343.6 Ų43.63%0.02523%0.231CC..Hα-helixtrans-47.5-50.1178.900000114.2G4 L5 V6 M57 A81 R85A2-G4 VanDerWaalsContact C-N 3.26Å; A2-G4 PolarHBondContact O-N 3.49Å; A2-L5 PolarHBondContact O-N 3.06Å; A2-L5 VanDerWaalsContact O-N 3.13Å; A2-V6 WeakPolarHBondContact O-CG2 3.33Å; A2-V6 PolarHBondContact O-N 3.39Å; A2-V6 VanDerWaalsContact O-N 3.08Å; A2-M57 WeakPolarHBondContact CA-SD 3.31Å; A2-M57 HydrophobicContact CB-CE 4.38Å; A2-M57 HydrophobicContact CB-SD 3.61Å; A2-A81 HydrophobicContact CB-CB 4.08Å; A2-A81 VanDerWaalsContact CB-O 3.26Å; A2-A81 WeakPolarHBondContact CB-O 3.08Å; A2-R85 HydrophobicContact CB-CG 4.02Å
3A98.2Very high97.5Very high2 Ų240.4 Ų40.42%0.01722%0.215CC..Hα-helixtrans-52.8-41.8174.200000113.2M1 V6 H7 G84 I88 F117 V120 L124M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 2.8Å; A3-V6 PolarHBondContact O-N 3.27Å; A3-H7 VanDerWaalsContact O-CB 3.3Å; A3-H7 WeakPolarHBondContact O-CB 3.44Å; A3-H7 PolarHBondContact O-N 3.02Å; A3-G84 WeakPolarHBondContact CA-O 3.49Å; A3-G84 WeakPolarHBondContact CB-O 3.17Å; A3-I88 HydrophobicContact CB-CD1 4.11Å; A3-I88 HydrophobicContact CB-CG1 4.31Å; A3-I88 WeakPolarHBondContact O-CD1 3.21Å; A3-F117 HydrophobicContact CB-CE2 4.31Å; A3-V120 HydrophobicContact CB-CG1 4.21Å; A3-L124 HydrophobicContact CB-CD1 3.93Å
4G98.1Very high97.4Very high24 Ų2439.2 Ų39.225%0.24721%0.211CC..Hα-helixtrans-69-35.8-179.900000113M1 A2 H7 S8M1-G4 WeakPolarHBondContact O-CA 3.21Å; M1-G4 PolarHBondContact O-N 2.93Å; A2-G4 VanDerWaalsContact C-N 3.26Å; A2-G4 PolarHBondContact O-N 3.49Å; G4-H7 PolarHBondContact O-N 3.29Å; G4-S8 WeakPolarHBondContact O-CB 3.4Å; G4-S8 PolarHBondContact O-N 2.73Å; G4-S8 PolarHBondContact O-OG 2.7Å
5L97.4Very high97.3Very high33 Ų3343.3 Ų43.317%0.17323%0.229CC..Hα-helixtrans-64.5-47.7172.5-73.2172000111M1 A2 H7 S8 I9 F56 M57M1-L5 PolarHBondContact O-N 2.83Å; M1-L5 VanDerWaalsContact O-N 3.13Å; A2-L5 PolarHBondContact O-N 3.06Å; A2-L5 VanDerWaalsContact O-N 3.13Å; L5-H7 VanDerWaalsContact C-N 3.32Å; L5-H7 PolarHBondContact O-N 3.32Å; L5-S8 PolarHBondContact O-OG 2.68Å; L5-I9 VanDerWaalsContact O-CB 3.31Å; L5-I9 WeakPolarHBondContact O-CB 3.28Å; L5-I9 VanDerWaalsContact O-CG1 3.24Å; L5-I9 WeakPolarHBondContact O-CG1 3.47Å; L5-I9 PolarHBondContact O-N 3.36Å; L5-F56 HydrophobicContact CD1-CB 4.45Å; L5-F56 HydrophobicContact CD1-CD1 3.57Å; L5-F56 HydrophobicContact CD1-CE1 4.2Å; L5-F56 HydrophobicContact CD1-CG 4.29Å; L5-F56 HydrophobicContact CD2-CD1 4.45Å; L5-M57 HydrophobicContact CD1-CG 3.59Å; L5-M57 HydrophobicContact CD1-SD 3.71Å
6V98.4Very high97.2Very high0 Ų044.4 Ų44.40%025%0.253CS..Hα-helixtrans-58.5-47.2176.3179.20000110.5A2 A3 T10 R85 I88A2-V6 WeakPolarHBondContact O-CG2 3.33Å; A2-V6 PolarHBondContact O-N 3.39Å; A2-V6 VanDerWaalsContact O-N 3.08Å; A3-V6 PolarHBondContact O-N 3.27Å; V6-T10 WeakPolarHBondContact O-CB 3.45Å; V6-T10 PolarHBondContact O-N 2.8Å; V6-T10 PolarHBondContact O-OG1 3.18Å; V6-R85 HydrophobicContact CG2-CB 4.22Å; V6-R85 HydrophobicContact CG2-CG 3.76Å; V6-I88 HydrophobicContact CB-CG1 4.02Å; V6-I88 HydrophobicContact CG1-CB 4.15Å; V6-I88 HydrophobicContact CG1-CG1 3.96Å; V6-I88 HydrophobicContact CG1-CG2 4.05Å
7H98.4Very high97.2Very high36 Ų3648.4 Ų48.417%0.16727%0.274CS..Hα-helixtrans-63.2-52.1-177.8-168.6-87.9000112.5A3 G4 L5 R11 I88 M114 A115 F117A3-H7 VanDerWaalsContact O-CB 3.3Å; A3-H7 WeakPolarHBondContact O-CB 3.44Å; A3-H7 PolarHBondContact O-N 3.02Å; G4-H7 PolarHBondContact O-N 3.29Å; L5-H7 VanDerWaalsContact C-N 3.32Å; L5-H7 PolarHBondContact O-N 3.32Å; H7-R11 WeakPolarHBondContact O-CB 3.35Å; H7-R11 PolarHBondContact O-N 2.93Å; H7-I88 HydrophobicContact CB-CD1 4Å; H7-M114 WeakPolarHBondContact O-CE 3.27Å; H7-A115 PolarHBondContact NE2-O 3.49Å; H7-F117 HydrophobicContact CB-CD2 3.84Å; H7-F117 HydrophobicContact CB-CE2 4Å; H7-F117 AromaticContact CD2-CD2 3.83Å; H7-F117 AromaticContact CG-CD2 3.61Å; H7-F117 AromaticContact ND1-CD2 3.98Å
8S97.8Very high97Very high56 Ų5649.8 Ų49.839%0.39228%0.278SS..Hα-helixtrans-65-44.2-177.954.40000113.2G4 L5 S12G4-S8 WeakPolarHBondContact O-CB 3.4Å; G4-S8 PolarHBondContact O-N 2.73Å; G4-S8 PolarHBondContact O-OG 2.7Å; L5-S8 PolarHBondContact O-OG 2.68Å; S8-S12 WeakPolarHBondContact O-CB 3.24Å; S8-S12 PolarHBondContact O-N 2.85Å; S8-S12 PolarHBondContact O-OG 2.8Å
9I97.7Very high96.7Very high30 Ų3054.8 Ų54.815%0.15431%0.311CS..Hα-helixtrans-67.4-49.4179.3-65.3-65.5000110.5L5 R11 S12 C13 F48 F52L5-I9 VanDerWaalsContact O-CB 3.31Å; L5-I9 WeakPolarHBondContact O-CB 3.28Å; L5-I9 VanDerWaalsContact O-CG1 3.24Å; L5-I9 WeakPolarHBondContact O-CG1 3.47Å; L5-I9 PolarHBondContact O-N 3.36Å; I9-R11 VanDerWaalsContact C-N 3.26Å; I9-R11 PolarHBondContact O-N 3.43Å; I9-S12 WeakPolarHBondContact O-CB 3.03Å; I9-S12 PolarHBondContact O-N 3.44Å; I9-S12 VanDerWaalsContact O-N 3.1Å; I9-C13 PolarHBondContact O-N 3.26Å; I9-C13 PolarHBondContact O-SG 2.85Å; I9-F48 HydrophobicContact CG2-CD1 3.96Å; I9-F48 HydrophobicContact CG2-CE1 3.84Å; I9-F52 HydrophobicContact CD1-CD1 4.17Å; I9-F52 HydrophobicContact CD1-CE1 3.94Å; I9-F52 HydrophobicContact CD1-CZ 4.23Å; I9-F52 HydrophobicContact CG1-CD1 3.7Å; I9-F52 HydrophobicContact CG1-CE1 3.89Å; I9-F52 HydrophobicContact CG1-CG 4.3Å; I9-F52 HydrophobicContact CG2-CB 4.41Å; I9-F52 HydrophobicContact CG2-CG 4.43Å
10T98.1Very high96.5Very high0 Ų059.7 Ų59.70%033%0.331CS..Hα-helixtrans-60-40.8179.4-53.90000110.8V6 S12 C13 S14 D44 I46 M114V6-T10 WeakPolarHBondContact O-CB 3.45Å; V6-T10 PolarHBondContact O-N 2.8Å; V6-T10 PolarHBondContact O-OG1 3.18Å; T10-S12 VanDerWaalsContact C-N 3.32Å; T10-S12 PolarHBondContact O-N 2.91Å; T10-C13 WeakPolarHBondContact O-CB 3.26Å; T10-C13 PolarHBondContact O-N 3.22Å; T10-S14 PolarHBondContact O-N 2.93Å; T10-S14 PolarHBondContact O-OG 3.13Å; T10-S14 VanDerWaalsContact O-OG 3.11Å; T10-D44 HydrophobicContact CG2-CB 3.77Å; T10-I46 HydrophobicContact CG2-CG2 4.06Å; T10-M114 HydrophobicContact CG2-CE 3.72Å; T10-M114 HydrophobicContact CG2-SD 3.76Å
11R97.4Very high96.5Very high125 Ų12557.8 Ų57.847%0.47232%0.321SS..Hα-helixtrans-62.5-40.8177.3-175.763.6173.7-161.9-0.9111.8H7 I9 S14 Q15 M114H7-R11 WeakPolarHBondContact O-CB 3.35Å; H7-R11 PolarHBondContact O-N 2.93Å; I9-R11 VanDerWaalsContact C-N 3.26Å; I9-R11 PolarHBondContact O-N 3.43Å; R11-S14 PolarHBondContact O-N 2.86Å; R11-Q15 WeakPolarHBondContact O-CB 3.36Å; R11-Q15 VanDerWaalsContact O-CG 3.25Å; R11-Q15 WeakPolarHBondContact O-CG 3.31Å; R11-Q15 PolarHBondContact O-N 2.77Å; R11-Q15 VanDerWaalsContact O-N 3.09Å; R11-M114 HydrophobicContact CB-CE 3.96Å
12S97.9Very high96.5Very high37 Ų3750.6 Ų50.626%0.25929%0.293SS..Hα-helixtrans-66-39.6177.9-56.50000111.6S8 I9 T10 Q15 G16 N17S8-S12 WeakPolarHBondContact O-CB 3.24Å; S8-S12 PolarHBondContact O-N 2.85Å; S8-S12 PolarHBondContact O-OG 2.8Å; I9-S12 WeakPolarHBondContact O-CB 3.03Å; I9-S12 PolarHBondContact O-N 3.44Å; I9-S12 VanDerWaalsContact O-N 3.1Å; T10-S12 VanDerWaalsContact C-N 3.32Å; T10-S12 PolarHBondContact O-N 2.91Å; S12-Q15 PolarHBondContact O-N 2.96Å; S12-G16 PolarHBondContact O-N 3.31Å; S12-N17 PolarHBondContact O-N 3.33Å; S12-N17 VanDerWaalsContact O-N 3.07Å
13C97.4Very high96.4Very high2 Ų253 Ų531%0.01431%0.309CS..Hα-helixtrans-60.4-50.8173.5-59.90000111.7I9 T10 Q15 G16 C21 F48I9-C13 PolarHBondContact O-N 3.26Å; I9-C13 PolarHBondContact O-SG 2.85Å; T10-C13 WeakPolarHBondContact O-CB 3.26Å; T10-C13 PolarHBondContact O-N 3.22Å; C13-Q15 PolarHBondContact O-N 2.91Å; C13-G16 PolarHBondContact O-N 2.93Å; C13-C21 VanDerWaalsContact CA-SG 3.55Å; C13-C21 HydrophobicContact CB-CB 3.75Å; C13-C21 WeakPolarHBondContact CB-SG 3.41Å; C13-C21 WeakPolarHBondContact SG-CB 3.37Å; C13-C21 CovalentContact SG-SG 2.02Å; C13-C21 PolarHBondContact SG-SG 3.13Å; C13-F48 VanDerWaalsContact SG-CD1 3.59Å
14S96.1Very high96.2Very high24 Ų2453.4 Ų53.417%0.16831%0.311CS..Hα-helixtrans-68-21.5-177.9-55.10000113.7T10 R11 G16 C42 D44T10-S14 PolarHBondContact O-N 2.93Å; T10-S14 PolarHBondContact O-OG 3.13Å; T10-S14 VanDerWaalsContact O-OG 3.11Å; R11-S14 PolarHBondContact O-N 2.86Å; S14-G16 VanDerWaalsContact C-N 3.3Å; S14-C42 PolarHBondContact O-SG 3.5Å; S14-D44 WeakPolarHBondContact CB-OD1 3.28Å; S14-D44 PolarHBondContact OG-OD1 3.28Å
15Q96Very high95.9Very high101 Ų10155.4 Ų55.447%0.47233%0.325SS..THydrogen-bonded Turntrans-81.5-7.9173-74.5176-15.200113.2R11 S12 C13 N17R11-Q15 WeakPolarHBondContact O-CB 3.36Å; R11-Q15 VanDerWaalsContact O-CG 3.25Å; R11-Q15 WeakPolarHBondContact O-CG 3.31Å; R11-Q15 PolarHBondContact O-N 2.77Å; R11-Q15 VanDerWaalsContact O-N 3.09Å; S12-Q15 PolarHBondContact O-N 2.96Å; C13-Q15 PolarHBondContact O-N 2.91Å; Q15-N17 VanDerWaalsContact C-N 3.26Å; Q15-N17 PolarHBondContact O-N 2.85Å; Q15-N17 PolarHBondContact OE1-ND2 3.19Å
16G95.2Very high95.5Very high60 Ų6060.4 Ų60.462%0.61934%0.341SS*.THydrogen-bonded Turntrans72.817.7-174.400000113.6S12 C13 S14 M18S12-G16 PolarHBondContact O-N 3.31Å; C13-G16 PolarHBondContact O-N 2.93Å; S14-G16 VanDerWaalsContact C-N 3.3Å; G16-M18 PolarHBondContact O-N 3.03Å
17N96.6Very high94.7Very high113 Ų11362.8 Ų62.860%0.60435%0.354SS*.  trans-80-2.8179.2-71-10.9000113.1S12 Q15S12-N17 PolarHBondContact O-N 3.33Å; S12-N17 VanDerWaalsContact O-N 3.07Å; Q15-N17 VanDerWaalsContact C-N 3.26Å; Q15-N17 PolarHBondContact O-N 2.85Å; Q15-N17 PolarHBondContact OE1-ND2 3.19Å
18M93.5Very high93.9Very high73 Ų7365.1 Ų65.136%0.3637%0.365SS..  trans-131.2139.7-176-61.5-67.9-68.900109G16 C21G16-M18 PolarHBondContact O-N 3.03Å; M18-C21 VanDerWaalsContact CB-SG 3.55Å; M18-C21 VanDerWaalsContact O-O 3.13Å
19T92.8Very high92.6Very high146 Ų14666.6 Ų66.690%0.89639%0.388SS*.SBendtrans-85-26.317850.50000113C21T19-C21 VanDerWaalsContact C-N 3.32Å; T19-C21 PolarHBondContact O-N 3.27Å
20E92.3Very high92Very high152 Ų15266.7 Ų66.771%0.7140%0.397SS*.SBendtrans-81-10.4-174-60.6176167.600113.8
21C95.4Very high91.3Very high19 Ų1968.6 Ų68.613%0.12842%0.417CS..  trans-151.6164.1-175.960.40000111.5C13 M18 T19 F48C13-C21 VanDerWaalsContact CA-SG 3.55Å; C13-C21 HydrophobicContact CB-CB 3.75Å; C13-C21 WeakPolarHBondContact CB-SG 3.41Å; C13-C21 WeakPolarHBondContact SG-CB 3.37Å; C13-C21 CovalentContact SG-SG 2.02Å; C13-C21 PolarHBondContact SG-SG 3.13Å; M18-C21 VanDerWaalsContact CB-SG 3.55Å; M18-C21 VanDerWaalsContact O-O 3.13Å; T19-C21 VanDerWaalsContact C-N 3.32Å; T19-C21 PolarHBondContact O-N 3.27Å; C21-F48 HydrophobicContact CB-CD1 3.65Å; C21-F48 HydrophobicContact CB-CD2 4.03Å; C21-F48 HydrophobicContact CB-CE1 3.53Å; C21-F48 HydrophobicContact CB-CE2 3.9Å; C21-F48 HydrophobicContact CB-CG 3.91Å; C21-F48 HydrophobicContact CB-CZ 3.66Å
22G95.1Very high90.8Very high27 Ų2763.9 Ų63.928%0.27840%0.404SS..  trans-158.9-153.7178.300000111.8H45G22-H45 WeakPolarHBondContact O-CB 3.36Å
23C95.3Very high90Very high52 Ų5267.4 Ų67.435%0.35142%0.424SS..SBendtrans-65.3154.7177-48.20000112A25 C42 S43C23-A25 PolarHBondContact O-N 3.27Å; C23-C42 HydrophobicContact CB-CB 3.96Å; C23-C42 WeakPolarHBondContact CB-SG 3.05Å; C23-C42 WeakPolarHBondContact SG-CB 3.49Å; C23-C42 CovalentContact SG-SG 2.02Å; C23-C42 PolarHBondContact SG-SG 3.27Å; C23-S43 CarbonylContact C-O 3.55Å; C23-S43 WeakPolarHBondContact CA-O 3.33Å
24D94.3Very high89.4Confident11 Ų1176.4 Ų76.46%0.05947%0.466CS..  trans-76.2103.2175-166.5-8.9000110.9R26 S43 H45D24-R26 VanDerWaalsContact C-N 3.26Å; D24-R26 PolarHBondContact O-N 2.8Å; D24-R26 WeakPolarHBondContact OD1-CB 3.1Å; D24-R26 VanDerWaalsContact OD1-CG 3.31Å; D24-R26 WeakPolarHBondContact OD1-CG 3.43Å; D24-R26 IonicContact OD1-CZ 3.64Å; D24-R26 PolarHBondContact OD1-N 2.87Å; D24-R26 IonicContact OD1-NE 2.81Å; D24-R26 PolarHBondContact OD1-NE 3.41Å; D24-R26 IonicContact OD1-NH2 3.67Å; D24-R26 IonicContact OD2-CZ 3.4Å; D24-R26 IonicContact OD2-NE 3.99Å; D24-R26 PolarHBondContact OD2-NE 2.89Å; D24-R26 IonicContact OD2-NH2 2.78Å; D24-R26 PolarHBondContact OD2-NH2 2.95Å; D24-S43 PolarHBondContact N-O 3.26Å; D24-H45 HydrophobicContact CB-CB 3.92Å; D24-H45 IonicContact OD2-CD2 3.91Å
25A90.5Very high89Confident66 Ų6682.2 Ų82.255%0.54549%0.491SS..G310 helixtrans-76.6-9.3-17800000114.3C23 L27 H28C23-A25 PolarHBondContact O-N 3.27Å; A25-L27 PolarHBondContact O-N 2.96Å; A25-H28 VanDerWaalsContact CA-CD2 3.41Å; A25-H28 WeakPolarHBondContact CA-CD2 2.97Å; A25-H28 WeakPolarHBondContact O-CB 3.39Å; A25-H28 PolarHBondContact O-N 3.32Å; A25-H28 VanDerWaalsContact O-N 3.09Å
26R89.1Confident88.7Confident138 Ų13878 Ų7852%0.52148%0.475SS..G310 helixtrans-68.1-21.2-172.1-63.8176.6-66.2151-1.4114.1D24D24-R26 VanDerWaalsContact C-N 3.26Å; D24-R26 PolarHBondContact O-N 2.8Å; D24-R26 WeakPolarHBondContact OD1-CB 3.1Å; D24-R26 VanDerWaalsContact OD1-CG 3.31Å; D24-R26 WeakPolarHBondContact OD1-CG 3.43Å; D24-R26 IonicContact OD1-CZ 3.64Å; D24-R26 PolarHBondContact OD1-N 2.87Å; D24-R26 IonicContact OD1-NE 2.81Å; D24-R26 PolarHBondContact OD1-NE 3.41Å; D24-R26 IonicContact OD1-NH2 3.67Å; D24-R26 IonicContact OD2-CZ 3.4Å; D24-R26 IonicContact OD2-NE 3.99Å; D24-R26 PolarHBondContact OD2-NE 2.89Å; D24-R26 IonicContact OD2-NH2 2.78Å; D24-R26 PolarHBondContact OD2-NH2 2.95Å
27L82.6Confident88.6Confident50 Ų5078.2 Ų78.226%0.26246%0.457SS..G310 helixtrans-94.8-10.9177.6-62.2175.5000112.1A25 G30 W39 R112A25-L27 PolarHBondContact O-N 2.96Å; L27-G30 PolarHBondContact O-N 2.84Å; L27-W39 HydrophobicContact CB-CB 4.35Å; L27-W39 HydrophobicContact CB-CD2 4.02Å; L27-W39 HydrophobicContact CB-CE3 4.35Å; L27-W39 HydrophobicContact CB-CG 4Å; L27-W39 HydrophobicContact CD1-CD2 4.37Å; L27-W39 HydrophobicContact CD1-CE3 4.17Å; L27-W39 HydrophobicContact CD1-CH2 4.24Å; L27-W39 HydrophobicContact CD1-CZ2 4.41Å; L27-W39 HydrophobicContact CD1-CZ3 4.12Å; L27-W39 WeakPolarHBondContact O-CB 3.32Å; L27-W39 VanDerWaalsContact O-CG 3.29Å; L27-R112 HydrophobicContact CD1-CB 4.39Å; L27-R112 HydrophobicContact CD1-CG 3.73Å
28H80.2Confident88.5Confident86 Ų8676.1 Ų76.140%0.39844%0.443SS..THydrogen-bonded Turntrans-63.3141.9-178.5-69-26.9000111.9A25 G30 G41A25-H28 VanDerWaalsContact CA-CD2 3.41Å; A25-H28 WeakPolarHBondContact CA-CD2 2.97Å; A25-H28 WeakPolarHBondContact O-CB 3.39Å; A25-H28 PolarHBondContact O-N 3.32Å; A25-H28 VanDerWaalsContact O-N 3.09Å; H28-G30 PolarHBondContact O-N 2.91Å; H28-G41 PolarHBondContact CE1-O 2.02Å; H28-G41 VanDerWaalsContact CE1-O 3.24Å
29G71.8Confident88.5Confident86 Ų8674.9 Ų74.989%0.88743%0.434SS*.THydrogen-bonded Turntrans77.3-3.3178.500000115.1
30G84.1Confident88.4Confident33 Ų3368.5 Ų68.534%0.3440%0.397SS..  trans-92172.5171.300000113.4L27 H28 W39L27-G30 PolarHBondContact O-N 2.84Å; H28-G30 PolarHBondContact O-N 2.91Å; G30-W39 PolarHBondContact O-N 3.46Å
31G84.4Confident88.3Confident40 Ų4063.8 Ų63.841%0.41239%0.39SS..EExtended strand (participates in β ladder)trans133.7-177.1177.300000111.7
32A86.4Confident88.3Confident25 Ų2564.6 Ų64.621%0.20740%0.395CS..EExtended strand (participates in β ladder)trans-116.687.6172.200000108.1E34 E35 G36 W37A32-E34 PolarHBondContact O-N 3.47Å; A32-E35 HydrophobicContact CB-CB 3.81Å; A32-E35 HydrophobicContact CB-CG 3.71Å; A32-E35 WeakPolarHBondContact CB-OE2 3.06Å; A32-E35 CarbonylContact O-C 3.49Å; A32-E35 WeakPolarHBondContact O-CA 3.5Å; A32-E35 WeakPolarHBondContact O-CB 3.25Å; A32-E35 PolarHBondContact O-N 2.95Å; A32-G36 PolarHBondContact O-N 2.04Å; A32-W37 CarbonylContact C-O 3.56Å; A32-W37 HydrophobicContact CB-CZ2 4.33Å; A32-W37 PolarHBondContact N-O 3.14Å; A32-W37 VanDerWaalsContact N-O 3.08Å; A32-W37 PolarHBondContact O-N 3.26Å
33V81.4Confident88.4Confident112 Ų11263.4 Ų63.468%0.67938%0.383SS*.G310 helixtrans-58.7-37.9-178.7-178.50000110.6E35 G36 W37V33-E35 PolarHBondContact O-N 2.04Å; V33-G36 WeakPolarHBondContact O-CA 3.37Å; V33-G36 PolarHBondContact O-N 3.47Å; V33-W37 PolarHBondContact N-O 3.09Å
34E85.1Confident88.4Confident190 Ų19061.4 Ų61.489%0.88837%0.368SS*.G310 helixtrans-61.5-28.8173.6-61.1-58.4141.200113.2A32 G36A32-E34 PolarHBondContact O-N 3.47Å; E34-G36 VanDerWaalsContact C-N 3.28Å
35E87.2Confident88.5Confident147 Ų14763.2 Ų63.269%0.68738%0.377SS*.G310 helixtrans-90.19.7174.5-59.7178175.800112.4A32 V33 W37A32-E35 HydrophobicContact CB-CB 3.81Å; A32-E35 HydrophobicContact CB-CG 3.71Å; A32-E35 WeakPolarHBondContact CB-OE2 3.06Å; A32-E35 CarbonylContact O-C 3.49Å; A32-E35 WeakPolarHBondContact O-CA 3.5Å; A32-E35 WeakPolarHBondContact O-CB 3.25Å; A32-E35 PolarHBondContact O-N 2.95Å; V33-E35 PolarHBondContact O-N 2.04Å; E35-W37 PolarHBondContact OE2-NE1 3.37Å; E35-W37 VanDerWaalsContact OE2-NE1 3.16Å
36G90.3Very high88.8Confident13 Ų1360.7 Ų60.713%0.13435%0.354CS..THydrogen-bonded Turntrans74.223.4177.100000114.4A32 V33 E34 A106 V107 K108A32-G36 PolarHBondContact O-N 2.04Å; V33-G36 WeakPolarHBondContact O-CA 3.37Å; V33-G36 PolarHBondContact O-N 3.47Å; E34-G36 VanDerWaalsContact C-N 3.28Å; G36-A106 WeakPolarHBondContact CA-O 3.01Å; G36-V107 CarbonylContact O-C 3.1Å; G36-V107 VanDerWaalsContact O-CA 3.25Å; G36-V107 WeakPolarHBondContact O-CA 3.03Å; G36-K108 PolarHBondContact O-N 2.83Å
37W92.8Very high89.2Confident64 Ų6461.4 Ų61.424%0.24236%0.356CS..EExtended strand (participates in β ladder)trans-142.8146.3175.677.1-84.8000114.5A32 V33 E35 W39 K108A32-W37 CarbonylContact C-O 3.56Å; A32-W37 HydrophobicContact CB-CZ2 4.33Å; A32-W37 PolarHBondContact N-O 3.14Å; A32-W37 VanDerWaalsContact N-O 3.08Å; A32-W37 PolarHBondContact O-N 3.26Å; V33-W37 PolarHBondContact N-O 3.09Å; E35-W37 PolarHBondContact OE2-NE1 3.37Å; E35-W37 VanDerWaalsContact OE2-NE1 3.16Å; W37-W39 AromaticContact CH2-NE1 3.82Å; W37-W39 AromaticContact CZ3-CD1 3.94Å; W37-W39 HydrophobicContact CZ3-CD2 4.21Å; W37-W39 AromaticContact CZ3-CE2 3.83Å; W37-W39 HydrophobicContact CZ3-CG 4.26Å; W37-W39 HydrophobicContact CZ3-CZ2 4.33Å; W37-W39 AromaticContact CZ3-NE1 3.65Å; W37-K108 VanDerWaalsContact CA-O 3.29Å; W37-K108 WeakPolarHBondContact CA-O 3.24Å; W37-K108 HydrophobicContact CB-CD 4.24Å; W37-K108 HydrophobicContact CB-CG 3.59Å
38H93.1Very high89.8Confident69 Ų6960.9 Ų60.932%0.31935%0.352SS..EExtended strand (participates in β ladder)trans-141.8157.2174.269.892000111.9K108 T109 C110H38-K108 PolarHBondContact N-O 3.03Å; H38-K108 VanDerWaalsContact N-O 3.13Å; H38-T109 VanDerWaalsContact CE1-CG2 3.46Å; H38-T109 WeakPolarHBondContact CE1-CG2 3.43Å; H38-T109 PolarHBondContact CE1-OG1 3.45Å; H38-T109 PolarHBondContact NE2-OG1 2.9Å; H38-T109 WeakPolarHBondContact O-CA 3.31Å; H38-C110 PolarHBondContact O-N 2.85Å
39W94.1Very high90.6Very high46 Ų4656.8 Ų56.817%0.17433%0.333CS..EExtended strand (participates in β ladder)trans-72.4138.7168.4-69.7112.2000110.2L27 G30 W37 T94 C110 R112L27-W39 HydrophobicContact CB-CB 4.35Å; L27-W39 HydrophobicContact CB-CD2 4.02Å; L27-W39 HydrophobicContact CB-CE3 4.35Å; L27-W39 HydrophobicContact CB-CG 4Å; L27-W39 HydrophobicContact CD1-CD2 4.37Å; L27-W39 HydrophobicContact CD1-CE3 4.17Å; L27-W39 HydrophobicContact CD1-CH2 4.24Å; L27-W39 HydrophobicContact CD1-CZ2 4.41Å; L27-W39 HydrophobicContact CD1-CZ3 4.12Å; L27-W39 WeakPolarHBondContact O-CB 3.32Å; L27-W39 VanDerWaalsContact O-CG 3.29Å; G30-W39 PolarHBondContact O-N 3.46Å; W37-W39 AromaticContact CH2-NE1 3.82Å; W37-W39 AromaticContact CZ3-CD1 3.94Å; W37-W39 HydrophobicContact CZ3-CD2 4.21Å; W37-W39 AromaticContact CZ3-CE2 3.83Å; W37-W39 HydrophobicContact CZ3-CG 4.26Å; W37-W39 HydrophobicContact CZ3-CZ2 4.33Å; W37-W39 AromaticContact CZ3-NE1 3.65Å; W39-T94 HydrophobicContact CH2-CG2 3.9Å; W39-T94 HydrophobicContact CZ3-CG2 3.87Å; W39-C110 WeakPolarHBondContact CA-O 3.15Å; W39-C110 HydrophobicContact CE3-CB 4.39Å; W39-C110 HydrophobicContact CZ3-CB 4.41Å; W39-R112 HydrophobicContact CH2-CG 3.74Å; W39-R112 HydrophobicContact CZ3-CG 3.69Å
40G91.4Very high91.8Very high12 Ų1253.5 Ų53.512%0.12430%0.296CS..  trans-167.6-160.1175.900000110.9T109 C110 W111G40-T109 VanDerWaalsContact CA-CG2 3.47Å; G40-C110 PolarHBondContact N-O 2.98Å; G40-W111 WeakPolarHBondContact O-CB 3.12Å
41G90.7Very high92.4Very high53 Ų5359.2 Ų59.255%0.54631%0.307SS..SBendtrans60.1-150.8-177.400000112.9H28H28-G41 PolarHBondContact CE1-O 2.02Å; H28-G41 VanDerWaalsContact CE1-O 3.24Å
42C94.6Very high93Very high37 Ų3760.3 Ų60.325%0.2530%0.301CS..  trans-113.4105.4177.9-176.70000109.7S14 C23S14-C42 PolarHBondContact O-SG 3.5Å; C23-C42 HydrophobicContact CB-CB 3.96Å; C23-C42 WeakPolarHBondContact CB-SG 3.05Å; C23-C42 WeakPolarHBondContact SG-CB 3.49Å; C23-C42 CovalentContact SG-SG 2.02Å; C23-C42 PolarHBondContact SG-SG 3.27Å
43S96.4Very high93.5Very high1 Ų159.1 Ų59.11%0.00729%0.291CS..  trans-80.4138.1171.2-68.10000110.4C23 D24 H45 W111 R112C23-S43 CarbonylContact C-O 3.55Å; C23-S43 WeakPolarHBondContact CA-O 3.33Å; D24-S43 PolarHBondContact N-O 3.26Å; S43-H45 PolarHBondContact O-N 3.47Å; S43-W111 WeakPolarHBondContact OG-CA 3.31Å; S43-R112 CarbonylContact C-O 3.57Å; S43-R112 VanDerWaalsContact CA-O 3.28Å; S43-R112 WeakPolarHBondContact CA-O 3.47Å; S43-R112 PolarHBondContact OG-N 3.48Å
44D96.9Very high94.1Very high10 Ų1059 Ų595%0.05328%0.278CS..  trans-68.5119.8-179.2-79.5-35.2000111.8T10 S14 I46 M92 R112 S113 M114T10-D44 HydrophobicContact CG2-CB 3.77Å; S14-D44 WeakPolarHBondContact CB-OD1 3.28Å; S14-D44 PolarHBondContact OG-OD1 3.28Å; D44-I46 VanDerWaalsContact C-N 3.32Å; D44-I46 PolarHBondContact O-N 3.49Å; D44-M92 HydrophobicContact CB-CE 4.04Å; D44-R112 PolarHBondContact N-O 2.91Å; D44-S113 WeakPolarHBondContact OD2-CA 3.28Å; D44-M114 HydrophobicContact CB-CE 4.49Å; D44-M114 HydrophobicContact CB-CG 3.98Å; D44-M114 PolarHBondContact OD2-N 3.49Å
45H96.4Very high94.5Very high50 Ų5057.7 Ų57.723%0.23127%0.265CS..  trans-82.567.8-177.7-166.9-165.2000113.4G22 D24 S43 R47 F48G22-H45 WeakPolarHBondContact O-CB 3.36Å; D24-H45 HydrophobicContact CB-CB 3.92Å; D24-H45 IonicContact OD2-CD2 3.91Å; S43-H45 PolarHBondContact O-N 3.47Å; H45-R47 PolarHBondContact O-N 3.35Å; H45-F48 WeakPolarHBondContact O-CB 3.08Å; H45-F48 PolarHBondContact O-N 3.07Å
46I96.6Very high94.7Very high12 Ų1256.7 Ų56.76%0.06226%0.259CS..Hα-helixtrans-60.3-22.7-17560151.4000114.7T10 D44 F48 G49 T50 I88 E89 M92 M114T10-I46 HydrophobicContact CG2-CG2 4.06Å; D44-I46 VanDerWaalsContact C-N 3.32Å; D44-I46 PolarHBondContact O-N 3.49Å; I46-F48 VanDerWaalsContact C-N 3.32Å; I46-G49 PolarHBondContact O-N 3.15Å; I46-T50 VanDerWaalsContact O-CB 3.24Å; I46-T50 WeakPolarHBondContact O-CB 3.37Å; I46-T50 PolarHBondContact O-N 3.39Å; I46-T50 PolarHBondContact O-OG1 2.92Å; I46-I88 HydrophobicContact CG2-CG2 3.95Å; I46-E89 HydrophobicContact CD1-CB 3.66Å; I46-E89 HydrophobicContact CD1-CG 3.77Å; I46-M92 HydrophobicContact CB-SD 4.32Å; I46-M92 HydrophobicContact CD1-SD 3.56Å; I46-M92 VanDerWaalsContact CD1-SD 3.56Å; I46-M92 HydrophobicContact CG1-SD 3.85Å; I46-M92 HydrophobicContact CG2-CE 3.72Å; I46-M92 HydrophobicContact CG2-SD 3.57Å; I46-M92 VanDerWaalsContact CG2-SD 3.57Å; I46-M114 HydrophobicContact CG2-CG 3.79Å; I46-M114 HydrophobicContact CG2-SD 4.04Å
47R96.2Very high94.7Very high154 Ų15457.9 Ų57.958%0.58126%0.261SS*.Hα-helixtrans-64.9-38.6176.6-71.5-177.173.9-172.52.1111.5H45 T50 W51H45-R47 PolarHBondContact O-N 3.35Å; R47-T50 PolarHBondContact O-N 2.89Å; R47-W51 WeakPolarHBondContact O-CB 3.05Å; R47-W51 PolarHBondContact O-N 3.42Å
48F96.4Very high94.2Very high38 Ų3856 Ų5617%0.16726%0.256CS..Hα-helixtrans-65.1-49.8175-177.8-90.4000110.8I9 C13 C21 H45 I46 T50 W51 F52I9-F48 HydrophobicContact CG2-CD1 3.96Å; I9-F48 HydrophobicContact CG2-CE1 3.84Å; C13-F48 VanDerWaalsContact SG-CD1 3.59Å; C21-F48 HydrophobicContact CB-CD1 3.65Å; C21-F48 HydrophobicContact CB-CD2 4.03Å; C21-F48 HydrophobicContact CB-CE1 3.53Å; C21-F48 HydrophobicContact CB-CE2 3.9Å; C21-F48 HydrophobicContact CB-CG 3.91Å; C21-F48 HydrophobicContact CB-CZ 3.66Å; H45-F48 WeakPolarHBondContact O-CB 3.08Å; H45-F48 PolarHBondContact O-N 3.07Å; I46-F48 VanDerWaalsContact C-N 3.32Å; F48-T50 VanDerWaalsContact C-N 3.29Å; F48-T50 PolarHBondContact O-N 3.25Å; F48-W51 HydrophobicContact CE2-CE3 4.36Å; F48-W51 HydrophobicContact CE2-CZ3 4.29Å; F48-W51 HydrophobicContact CZ-CZ3 4.41Å; F48-W51 WeakPolarHBondContact O-CB 3.12Å; F48-W51 PolarHBondContact O-N 3.13Å; F48-F52 PolarHBondContact O-N 3.43Å
49G97Very high93.3Very high0 Ų055.3 Ų55.30%026%0.257CS..Hα-helixtrans-59.6-38.9176.400000113.1I46 F52 S53I46-G49 PolarHBondContact O-N 3.15Å; G49-F52 PolarHBondContact O-N 3.02Å; G49-S53 WeakPolarHBondContact O-CB 3.42Å; G49-S53 PolarHBondContact O-N 1.99Å
50T97.4Very high92Very high18 Ų1856.7 Ų56.711%0.1127%0.273CS..Hα-helixtrans-64.2-45.2175.4-63.10000111.9I46 R47 F48 S53 R54 R85I46-T50 VanDerWaalsContact O-CB 3.24Å; I46-T50 WeakPolarHBondContact O-CB 3.37Å; I46-T50 PolarHBondContact O-N 3.39Å; I46-T50 PolarHBondContact O-OG1 2.92Å; R47-T50 PolarHBondContact O-N 2.89Å; F48-T50 VanDerWaalsContact C-N 3.29Å; F48-T50 PolarHBondContact O-N 3.25Å; T50-S53 PolarHBondContact O-N 3.06Å; T50-R54 WeakPolarHBondContact O-CG 2.98Å; T50-R54 PolarHBondContact O-N 2.78Å; T50-R85 HydrophobicContact CG2-CB 4.35Å
51W96.4Very high90.8Very high153 Ų15358.9 Ų58.958%0.5828%0.28SS*.Hα-helixtrans-59.4-47.9174.8168.589.1000111.3R47 F48 S53 R54 R55R47-W51 WeakPolarHBondContact O-CB 3.05Å; R47-W51 PolarHBondContact O-N 3.42Å; F48-W51 HydrophobicContact CE2-CE3 4.36Å; F48-W51 HydrophobicContact CE2-CZ3 4.29Å; F48-W51 HydrophobicContact CZ-CZ3 4.41Å; F48-W51 WeakPolarHBondContact O-CB 3.12Å; F48-W51 PolarHBondContact O-N 3.13Å; W51-S53 PolarHBondContact O-N 2.04Å; W51-R54 PolarHBondContact O-N 3.43Å; W51-R55 PolarHBondContact O-N 3.47Å
52F96Very high89.6Confident63 Ų6363.4 Ų63.428%0.27629%0.285SS..Hα-helixtrans-60.6-46.7178-178.6-87.1000111.2I9 F48 G49 R54 R55 F56I9-F52 HydrophobicContact CD1-CD1 4.17Å; I9-F52 HydrophobicContact CD1-CE1 3.94Å; I9-F52 HydrophobicContact CD1-CZ 4.23Å; I9-F52 HydrophobicContact CG1-CD1 3.7Å; I9-F52 HydrophobicContact CG1-CE1 3.89Å; I9-F52 HydrophobicContact CG1-CG 4.3Å; I9-F52 HydrophobicContact CG2-CB 4.41Å; I9-F52 HydrophobicContact CG2-CG 4.43Å; F48-F52 PolarHBondContact O-N 3.43Å; G49-F52 PolarHBondContact O-N 3.02Å; F52-R54 VanDerWaalsContact C-N 3.31Å; F52-R54 PolarHBondContact O-N 2.83Å; F52-R55 PolarHBondContact O-N 3.48Å; F52-R55 VanDerWaalsContact O-N 3.12Å; F52-F56 HydrophobicContact CE1-CB 4.21Å; F52-F56 HydrophobicContact CE1-CD2 4.42Å; F52-F56 HydrophobicContact CE1-CG 4.44Å; F52-F56 HydrophobicContact CZ-CD2 4.41Å; F52-F56 WeakPolarHBondContact O-CB 3.4Å; F52-F56 PolarHBondContact O-N 2.97Å
53S96.6Very high88.1Confident0 Ų068.1 Ų68.10%031%0.308CS..Hα-helixtrans-58.5-41.2178.2174.40000112.5G49 T50 W51 M57G49-S53 WeakPolarHBondContact O-CB 3.42Å; G49-S53 PolarHBondContact O-N 1.99Å; T50-S53 PolarHBondContact O-N 3.06Å; W51-S53 PolarHBondContact O-N 2.04Å; S53-M57 WeakPolarHBondContact O-CB 3.36Å; S53-M57 PolarHBondContact O-N 3.43Å
54R95.2Very high86.4Confident109 Ų10972.1 Ų72.141%0.41134%0.335SS..Hα-helixtrans-63.6-46.7174.1-74.7175.8-179160.32.7111.4T50 W51 F52 F56 D58 E82 R85T50-R54 WeakPolarHBondContact O-CG 2.98Å; T50-R54 PolarHBondContact O-N 2.78Å; W51-R54 PolarHBondContact O-N 3.43Å; F52-R54 VanDerWaalsContact C-N 3.31Å; F52-R54 PolarHBondContact O-N 2.83Å; R54-F56 VanDerWaalsContact C-N 3.3Å; R54-F56 PolarHBondContact O-N 3Å; R54-D58 WeakPolarHBondContact O-CB 3.27Å; R54-D58 PolarHBondContact O-N 3.15Å; R54-E82 IonicContact CZ-OE1 3.34Å; R54-E82 IonicContact CZ-OE2 2.71Å; R54-E82 IonicContact NE-OE2 2.65Å; R54-E82 PolarHBondContact NE-OE2 3.43Å; R54-E82 VanDerWaalsContact NH2-CD 3.3Å; R54-E82 IonicContact NH2-OE1 3.92Å; R54-E82 PolarHBondContact NH2-OE1 2.96Å; R54-E82 IonicContact NH2-OE2 3.35Å; R54-E82 PolarHBondContact NH2-OE2 2.81Å; R54-E82 VanDerWaalsContact NH2-OE2 3.13Å; R54-R85 VanDerWaalsContact CG-CZ 3.41Å
55R92.9Very high84.8Confident163 Ų16373.9 Ų73.962%0.61535%0.349SS*.Hα-helixtrans-62.3-38.2-180-17559173144.1-0.9112.2W51 F52 V59W51-R55 PolarHBondContact O-N 3.47Å; F52-R55 PolarHBondContact O-N 3.48Å; F52-R55 VanDerWaalsContact O-N 3.12Å; R55-V59 WeakPolarHBondContact O-CG2 3.31Å
56F91.6Very high83.2Confident125 Ų12578 Ų7855%0.54838%0.378SS..Hα-helixtrans-76.2-47.6-179-172.9-92000112.8L5 F52 R54L5-F56 HydrophobicContact CD1-CB 4.45Å; L5-F56 HydrophobicContact CD1-CD1 3.57Å; L5-F56 HydrophobicContact CD1-CE1 4.2Å; L5-F56 HydrophobicContact CD1-CG 4.29Å; L5-F56 HydrophobicContact CD2-CD1 4.45Å; F52-F56 HydrophobicContact CE1-CB 4.21Å; F52-F56 HydrophobicContact CE1-CD2 4.42Å; F52-F56 HydrophobicContact CE1-CG 4.44Å; F52-F56 HydrophobicContact CZ-CD2 4.41Å; F52-F56 WeakPolarHBondContact O-CB 3.4Å; F52-F56 PolarHBondContact O-N 2.97Å; R54-F56 VanDerWaalsContact C-N 3.3Å; R54-F56 PolarHBondContact O-N 3Å
57M89.3Confident81.8Confident39 Ų3980.1 Ų80.119%0.19240%0.402CS..Hα-helixtrans-88.6-44.8-173.1-66.4-171.765.900113.6M1 A2 L5 S53 V59 S60M1-M57 HydrophobicContact CB-CE 4.14Å; M1-M57 HydrophobicContact CB-SD 4.48Å; M1-M57 HydrophobicContact CG-CE 4.14Å; M1-M57 HydrophobicContact CG-SD 4.2Å; M1-M57 HydrophobicContact SD-CE 3.91Å; M1-M57 HydrophobicContact SD-SD 4.44Å; A2-M57 WeakPolarHBondContact CA-SD 3.31Å; A2-M57 HydrophobicContact CB-CE 4.38Å; A2-M57 HydrophobicContact CB-SD 3.61Å; L5-M57 HydrophobicContact CD1-CG 3.59Å; L5-M57 HydrophobicContact CD1-SD 3.71Å; S53-M57 WeakPolarHBondContact O-CB 3.36Å; S53-M57 PolarHBondContact O-N 3.43Å; M57-V59 VanDerWaalsContact C-N 3.27Å; M57-V59 PolarHBondContact O-N 2.98Å; M57-S60 PolarHBondContact O-N 2.82Å
58D83.6Confident80.5Confident24 Ų2480.1 Ų80.113%0.12840%0.402CS..Hα-helixtrans-75.5-18.9-166.7-57.710.1000111.8R54 R85R54-D58 WeakPolarHBondContact O-CB 3.27Å; R54-D58 PolarHBondContact O-N 3.15Å; D58-R85 IonicContact OD1-CZ 3.24Å; D58-R85 IonicContact OD1-NH1 3.79Å; D58-R85 PolarHBondContact OD1-NH1 2.95Å; D58-R85 IonicContact OD1-NH2 3.73Å; D58-R85 IonicContact OD2-CZ 2.78Å; D58-R85 IonicContact OD2-NH1 3.63Å; D58-R85 IonicContact OD2-NH2 3.38Å; D58-R85 PolarHBondContact OD2-NH2 2.91Å
59V73.8Confident79.2Confident55 Ų5584 Ų8433%0.33343%0.429SS..Hα-helixtrans-70-39.3174.1176.40000111.2R55 M57 E61 K62R55-V59 WeakPolarHBondContact O-CG2 3.31Å; M57-V59 VanDerWaalsContact C-N 3.27Å; M57-V59 PolarHBondContact O-N 2.98Å; V59-E61 VanDerWaalsContact C-N 3.33Å; V59-E61 PolarHBondContact O-N 3.17Å; V59-K62 PolarHBondContact O-N 3.37Å
60S67.1Low78.2Confident75 Ų7585 Ų8552%0.52444%0.439SS..Hα-helixtrans-67.1-35179.8-168.90000112.5M57 S64M57-S60 PolarHBondContact O-N 2.82Å; S60-S64 PolarHBondContact O-OG 2.72Å
61E66.3Low77.4Confident58 Ų5890.5 Ų90.527%0.27146%0.462SS..Hα-helixtrans-69.3-34.4-179.3-74.1-72.816700112.6V59 S74 N77V59-E61 VanDerWaalsContact C-N 3.33Å; V59-E61 PolarHBondContact O-N 3.17Å; E61-S74 PolarHBondContact O-OG 3.15Å; E61-N77 HydrophobicContact CG-CB 4.49Å; E61-N77 WeakPolarHBondContact OE1-CB 2.94Å; E61-N77 PolarHBondContact OE1-ND2 2.91Å; E61-N77 PolarHBondContact OE2-ND2 2.89Å
62K65.9Low76.7Confident147 Ų14784.6 Ų84.664%0.63944%0.443SS*.Hα-helixtrans-72.5-33.2179.7-72.5-179.2179.7-177.80113.6V59 S64 S65V59-K62 PolarHBondContact O-N 3.37Å; K62-S64 VanDerWaalsContact C-N 3.32Å; K62-S65 PolarHBondContact O-OG 3.27Å
63N61.3Low76.2Confident136 Ų13685.6 Ų85.673%0.72745%0.45SS*.Hα-helixtrans-77.6-20-178.8-69.2-12.1000112.8
64S61.6Low75.8Confident85 Ų8586.3 Ų86.359%0.59446%0.456SS*.THydrogen-bonded Turntrans-93.2-5.1-174-54.10000113.7S60 K62 T66S60-S64 PolarHBondContact O-OG 2.72Å; K62-S64 VanDerWaalsContact C-N 3.32Å; S64-T66 PolarHBondContact O-N 3.23Å
65S63.1Low75.5Confident47 Ų4784.2 Ų84.233%0.32946%0.455SS..  trans-9381.4-170.858.80000113K62K62-S65 PolarHBondContact O-OG 3.27Å
66T62.3Low75.4Confident137 Ų13777.7 Ų77.784%0.8443%0.431SS*.  trans-96.4118.9165.250000110S64S64-T66 PolarHBondContact O-N 3.23Å
67G68.8Low75.4Confident56 Ų5673.9 Ų73.958%0.57742%0.417SS*.SBendtrans87.8168176.300000116.1V69 G70 F71G67-V69 PolarHBondContact O-N 3.13Å; G67-G70 PolarHBondContact O-N 3.12Å; G67-F71 PolarHBondContact O-N 2.98Å; G67-F71 VanDerWaalsContact O-N 3.07Å
68R67.8Low75.6Confident155 Ų15576.4 Ų76.459%0.58543%0.428SS*.Hα-helixtrans-60.8-40.4-171.8-173.7-172.1179.6131.724.9114F71 T72 D136 A138R68-F71 PolarHBondContact O-N 3.4Å; R68-T72 PolarHBondContact O-N 3.18Å; R68-T72 PolarHBondContact O-OG1 2.92Å; R68-D136 IonicContact CZ-OD1 3.43Å; R68-D136 IonicContact NE-OD1 3.44Å; R68-D136 IonicContact NE-OD2 3.67Å; R68-D136 PolarHBondContact NE-OD2 3.43Å; R68-D136 IonicContact NH2-OD1 3.26Å; R68-D136 PolarHBondContact NH2-OD1 3.29Å; R68-A138 VanDerWaalsContact NH2-CA 3.33Å
69V69.6Low76.1Confident119 Ų11977.4 Ų77.472%0.72143%0.432SS*.Hα-helixtrans-67.2-40.6179.6178.40000110.5G67 F71 T72 L73G67-V69 PolarHBondContact O-N 3.13Å; V69-F71 VanDerWaalsContact C-N 3.34Å; V69-F71 PolarHBondContact O-N 2.95Å; V69-T72 PolarHBondContact O-N 2.86Å; V69-L73 PolarHBondContact O-N 3.25Å; V69-L73 VanDerWaalsContact O-N 3.13Å
70G76.3Confident77.1Confident21 Ų2176.8 Ų76.822%0.21643%0.427CS..Hα-helixtrans-61.4-40.8173.900000112.3G67 L73 S74G67-G70 PolarHBondContact O-N 3.12Å; G70-L73 PolarHBondContact O-N 3.34Å; G70-S74 VanDerWaalsContact O-CB 3.27Å; G70-S74 WeakPolarHBondContact O-CB 3Å; G70-S74 PolarHBondContact O-N 2.86Å
71F79Confident78.5Confident134 Ų13473.8 Ų73.859%0.58841%0.407SS*.Hα-helixtrans-62.5-45.3177-177.2-95.7000113.4G67 R68 V69 S74 T75G67-F71 PolarHBondContact O-N 2.98Å; G67-F71 VanDerWaalsContact O-N 3.07Å; R68-F71 PolarHBondContact O-N 3.4Å; V69-F71 VanDerWaalsContact C-N 3.34Å; V69-F71 PolarHBondContact O-N 2.95Å; F71-S74 PolarHBondContact O-N 3.42Å; F71-T75 WeakPolarHBondContact O-CB 3.05Å; F71-T75 PolarHBondContact O-N 3.41Å; F71-T75 PolarHBondContact O-OG1 3.29Å
72T83.4Confident79.9Confident29 Ų2972.8 Ų72.818%0.17840%0.402CS..Hα-helixtrans-65.3-40.2178.5-56.50000111.7R68 V69 M76 L159R68-T72 PolarHBondContact O-N 3.18Å; R68-T72 PolarHBondContact O-OG1 2.92Å; V69-T72 PolarHBondContact O-N 2.86Å; T72-M76 PolarHBondContact O-N 2.97Å; T72-M76 VanDerWaalsContact O-N 3.14Å; T72-L159 HydrophobicContact CG2-CD1 3.78Å; T72-L159 HydrophobicContact CG2-CD2 3.69Å; T72-L159 HydrophobicContact CG2-CG 4.4Å
73L85.2Confident81.4Confident83 Ų8365.9 Ų65.944%0.43537%0.373SS..Hα-helixtrans-65.7-45.8175.9-177.563.9000111.7V69 G70 T75 M76 N77 L159V69-L73 PolarHBondContact O-N 3.25Å; V69-L73 VanDerWaalsContact O-N 3.13Å; G70-L73 PolarHBondContact O-N 3.34Å; L73-T75 VanDerWaalsContact C-N 3.32Å; L73-T75 PolarHBondContact O-N 3.27Å; L73-M76 HydrophobicContact CD1-CE 3.7Å; L73-M76 WeakPolarHBondContact O-CB 3.07Å; L73-M76 PolarHBondContact O-N 2.89Å; L73-M76 VanDerWaalsContact O-N 3.15Å; L73-N77 PolarHBondContact O-N 3.43Å; L73-L159 HydrophobicContact CD1-CD1 4.47Å
74S87.7Confident83.2Confident16 Ų1659.7 Ų59.711%0.11234%0.341CS..Hα-helixtrans-59.8-42.5177.7-178.10000111.8E61 G70 F71 M76 N77 Q78E61-S74 PolarHBondContact O-OG 3.15Å; G70-S74 VanDerWaalsContact O-CB 3.27Å; G70-S74 WeakPolarHBondContact O-CB 3Å; G70-S74 PolarHBondContact O-N 2.86Å; F71-S74 PolarHBondContact O-N 3.42Å; S74-M76 VanDerWaalsContact C-N 3.34Å; S74-M76 PolarHBondContact O-N 2.89Å; S74-N77 PolarHBondContact O-N 2.84Å; S74-Q78 WeakPolarHBondContact O-CB 3.26Å; S74-Q78 PolarHBondContact O-N 3.15Å
75T89.3Confident84.9Confident65 Ų6555.9 Ų55.940%0.39931%0.313SS..Hα-helixtrans-61.6-42.4175.9-56.40000111.6F71 L73 Q78 H79F71-T75 WeakPolarHBondContact O-CB 3.05Å; F71-T75 PolarHBondContact O-N 3.41Å; F71-T75 PolarHBondContact O-OG1 3.29Å; L73-T75 VanDerWaalsContact C-N 3.32Å; L73-T75 PolarHBondContact O-N 3.27Å; T75-Q78 PolarHBondContact O-N 3.18Å; T75-H79 PolarHBondContact O-N 3.38Å
76M90.9Very high86.5Confident25 Ų2555.4 Ų55.412%0.12331%0.306CS..Hα-helixtrans-63.8-45.3176.3-176.5-155.573.300111.5T72 L73 S74 Q78 H79 N80 I157 L159T72-M76 PolarHBondContact O-N 2.97Å; T72-M76 VanDerWaalsContact O-N 3.14Å; L73-M76 HydrophobicContact CD1-CE 3.7Å; L73-M76 WeakPolarHBondContact O-CB 3.07Å; L73-M76 PolarHBondContact O-N 2.89Å; L73-M76 VanDerWaalsContact O-N 3.15Å; S74-M76 VanDerWaalsContact C-N 3.34Å; S74-M76 PolarHBondContact O-N 2.89Å; M76-Q78 PolarHBondContact O-N 3.24Å; M76-H79 PolarHBondContact O-N 3.07Å; M76-N80 PolarHBondContact O-N 3.21Å; M76-I157 HydrophobicContact CB-CD1 4.44Å; M76-I157 HydrophobicContact CG-CD1 4.15Å; M76-I157 HydrophobicContact CG-CG1 3.87Å; M76-L159 HydrophobicContact CB-CG 4.47Å; M76-L159 HydrophobicContact CG-CG 4.45Å; M76-L159 HydrophobicContact SD-CB 4.5Å; M76-L159 HydrophobicContact SD-CD1 4.25Å; M76-L159 HydrophobicContact SD-CG 3.77Å
77N92.1Very high88.2Confident46 Ų4648.9 Ų48.925%0.24627%0.266CS..Hα-helixtrans-61.5-43.9178.3-72.2-11.5000111.3E61 L73 S74 H79 N80 A81E61-N77 HydrophobicContact CG-CB 4.49Å; E61-N77 WeakPolarHBondContact OE1-CB 2.94Å; E61-N77 PolarHBondContact OE1-ND2 2.91Å; E61-N77 PolarHBondContact OE2-ND2 2.89Å; L73-N77 PolarHBondContact O-N 3.43Å; S74-N77 PolarHBondContact O-N 2.84Å; N77-H79 PolarHBondContact O-N 3.31Å; N77-N80 PolarHBondContact O-N 3.47Å; N77-A81 VanDerWaalsContact O-CB 3.25Å; N77-A81 WeakPolarHBondContact O-CB 3.23Å; N77-A81 PolarHBondContact O-N 3.35Å
78Q92.3Very high89.6Confident92 Ų9246.3 Ų46.343%0.4324%0.239SC..Hα-helixtrans-62.2-43.4177.4-169.2-179.315.900112.1S74 T75 M76 A81 E82S74-Q78 WeakPolarHBondContact O-CB 3.26Å; S74-Q78 PolarHBondContact O-N 3.15Å; T75-Q78 PolarHBondContact O-N 3.18Å; M76-Q78 PolarHBondContact O-N 3.24Å; Q78-A81 PolarHBondContact O-N 2.6Å; Q78-E82 PolarHBondContact O-N 3.43Å
79H93.6Very high91Very high45 Ų4543.1 Ų43.121%0.20823%0.231CC..Hα-helixtrans-59.5-52.2175.3179.899.8000111.3T75 M76 N77 A81 E82 A83 D152 E155 I157T75-H79 PolarHBondContact O-N 3.38Å; M76-H79 PolarHBondContact O-N 3.07Å; N77-H79 PolarHBondContact O-N 3.31Å; H79-A81 VanDerWaalsContact C-N 3.3Å; H79-A81 PolarHBondContact O-N 3.38Å; H79-E82 PolarHBondContact O-N 3.27Å; H79-A83 PolarHBondContact O-N 3.03Å; H79-D152 PolarHBondContact CE1-O 3.48Å; H79-D152 VanDerWaalsContact CE1-O 3.29Å; H79-D152 PolarHBondContact NE2-O 2.91Å; H79-E155 PolarHBondContact CD2-O 2.93Å; H79-E155 PolarHBondContact NE2-O 2.8Å; H79-I157 HydrophobicContact CB-CD1 3.81Å; H79-I157 HydrophobicContact CB-CG1 4.26Å
80N96.3Very high92.3Very high41 Ų4142 Ų4222%0.21922%0.219CC..Hα-helixtrans-65.9-32.7-179-72.4-19.3000112.5M76 N77 G84 L156 I157M76-N80 PolarHBondContact O-N 3.21Å; N77-N80 PolarHBondContact O-N 3.47Å; N80-G84 PolarHBondContact O-N 3.3Å; N80-L156 HydrophobicContact CB-CD2 4.1Å; N80-L156 WeakPolarHBondContact OD1-CA 3.38Å; N80-I157 PolarHBondContact ND2-O 2.61Å; N80-I157 PolarHBondContact OD1-N 3.02Å; N80-I157 PolarHBondContact OD1-O 3.49Å
81A96.3Very high93.3Very high12 Ų1241.7 Ų41.710%0.09921%0.213CC..Hα-helixtrans-65-44.1173.700000110.9A2 N77 Q78 H79 G84 R85A2-A81 HydrophobicContact CB-CB 4.08Å; A2-A81 VanDerWaalsContact CB-O 3.26Å; A2-A81 WeakPolarHBondContact CB-O 3.08Å; N77-A81 VanDerWaalsContact O-CB 3.25Å; N77-A81 WeakPolarHBondContact O-CB 3.23Å; N77-A81 PolarHBondContact O-N 3.35Å; Q78-A81 PolarHBondContact O-N 2.6Å; H79-A81 VanDerWaalsContact C-N 3.3Å; H79-A81 PolarHBondContact O-N 3.38Å; A81-G84 WeakPolarHBondContact O-CA 3.42Å; A81-G84 PolarHBondContact O-N 3.07Å; A81-R85 WeakPolarHBondContact O-CG 3.33Å; A81-R85 PolarHBondContact O-N 2.99Å
82E96.1Very high94.2Very high37 Ų3736.3 Ų36.317%0.17319%0.19CC..Hα-helixtrans-64.7-44.4176-172.459.8-156.700112R54 Q78 H79 G84 R85 Q86R54-E82 IonicContact CZ-OE1 3.34Å; R54-E82 IonicContact CZ-OE2 2.71Å; R54-E82 IonicContact NE-OE2 2.65Å; R54-E82 PolarHBondContact NE-OE2 3.43Å; R54-E82 VanDerWaalsContact NH2-CD 3.3Å; R54-E82 IonicContact NH2-OE1 3.92Å; R54-E82 PolarHBondContact NH2-OE1 2.96Å; R54-E82 IonicContact NH2-OE2 3.35Å; R54-E82 PolarHBondContact NH2-OE2 2.81Å; R54-E82 VanDerWaalsContact NH2-OE2 3.13Å; Q78-E82 PolarHBondContact O-N 3.43Å; H79-E82 PolarHBondContact O-N 3.27Å; E82-G84 PolarHBondContact O-N 3.43Å; E82-R85 PolarHBondContact O-N 3.09Å; E82-R85 IonicContact OE2-CZ 3.98Å; E82-R85 VanDerWaalsContact OE2-CZ 3.27Å; E82-R85 IonicContact OE2-NE 3.62Å; E82-R85 PolarHBondContact OE2-NE 3.31Å; E82-R85 IonicContact OE2-NH2 2.6Å; E82-R85 PolarHBondContact OE2-NH2 3.48Å; E82-Q86 HydrophobicContact CG-CG 4.34Å; E82-Q86 WeakPolarHBondContact O-CG 3.25Å; E82-Q86 PolarHBondContact O-N 2.02Å; E82-Q86 PolarHBondContact OE1-NE2 3.19Å
83A97.2Very high94.8Very high3 Ų336.7 Ų36.73%0.02519%0.193CC..Hα-helixtrans-55.5-37.717300000111.7H79 A87 K153 L156H79-A83 PolarHBondContact O-N 3.03Å; A83-A87 PolarHBondContact O-N 3Å; A83-K153 WeakPolarHBondContact CB-O 3.24Å; A83-L156 HydrophobicContact CB-CD2 3.9Å
84G97.9Very high95.3Very high6 Ų636.1 Ų36.16%0.06219%0.194CC..Hα-helixtrans-62.8-42.117200000113.9A3 N80 A81 E82 A87A3-G84 WeakPolarHBondContact CA-O 3.49Å; A3-G84 WeakPolarHBondContact CB-O 3.17Å; N80-G84 PolarHBondContact O-N 3.3Å; A81-G84 WeakPolarHBondContact O-CA 3.42Å; A81-G84 PolarHBondContact O-N 3.07Å; E82-G84 PolarHBondContact O-N 3.43Å; G84-A87 WeakPolarHBondContact O-CB 3.33Å; G84-A87 PolarHBondContact O-N 3.1Å
85R97.8Very high95.6Very high4 Ų438.6 Ų38.62%0.01521%0.206CC..Hα-helixtrans-66.8-44.7176.9-65.2-177.9-78.3-109.75.5111A2 V6 T50 R54 D58 A81 E82 A87 I88A2-R85 HydrophobicContact CB-CG 4.02Å; V6-R85 HydrophobicContact CG2-CB 4.22Å; V6-R85 HydrophobicContact CG2-CG 3.76Å; T50-R85 HydrophobicContact CG2-CB 4.35Å; R54-R85 VanDerWaalsContact CG-CZ 3.41Å; D58-R85 IonicContact OD1-CZ 3.24Å; D58-R85 IonicContact OD1-NH1 3.79Å; D58-R85 PolarHBondContact OD1-NH1 2.95Å; D58-R85 IonicContact OD1-NH2 3.73Å; D58-R85 IonicContact OD2-CZ 2.78Å; D58-R85 IonicContact OD2-NH1 3.63Å; D58-R85 IonicContact OD2-NH2 3.38Å; D58-R85 PolarHBondContact OD2-NH2 2.91Å; A81-R85 WeakPolarHBondContact O-CG 3.33Å; A81-R85 PolarHBondContact O-N 2.99Å; E82-R85 PolarHBondContact O-N 3.09Å; E82-R85 IonicContact OE2-CZ 3.98Å; E82-R85 VanDerWaalsContact OE2-CZ 3.27Å; E82-R85 IonicContact OE2-NE 3.62Å; E82-R85 PolarHBondContact OE2-NE 3.31Å; E82-R85 IonicContact OE2-NH2 2.6Å; E82-R85 PolarHBondContact OE2-NH2 3.48Å; R85-A87 VanDerWaalsContact C-N 3.26Å; R85-A87 PolarHBondContact O-N 3.45Å; R85-I88 WeakPolarHBondContact O-CB 3.12Å; R85-I88 PolarHBondContact O-N 3.06Å; R85-I88 VanDerWaalsContact O-N 3.13Å
86Q97.4Very high95.8Very high38 Ų3838.2 Ų38.218%0.17821%0.205CC..Hα-helixtrans-62.4-31.4177.2-64.7-62.4-33.800112.7E82 I88 E89 M90E82-Q86 HydrophobicContact CG-CG 4.34Å; E82-Q86 WeakPolarHBondContact O-CG 3.25Å; E82-Q86 PolarHBondContact O-N 2.02Å; E82-Q86 PolarHBondContact OE1-NE2 3.19Å; Q86-I88 PolarHBondContact O-N 3.43Å; Q86-E89 PolarHBondContact O-N 2.65Å; Q86-E89 VanDerWaalsContact O-N 3.14Å; Q86-M90 WeakPolarHBondContact O-CB 3.39Å; Q86-M90 WeakPolarHBondContact O-CG 3.42Å; Q86-M90 PolarHBondContact O-N 3.42Å
87A98.2Very high96Very high0 Ų044.7 Ų44.70%023%0.228CC..Hα-helixtrans-59.5-28.7175.700000113.5A83 G84 R85 T91 V120 Y123 L124A83-A87 PolarHBondContact O-N 3Å; G84-A87 WeakPolarHBondContact O-CB 3.33Å; G84-A87 PolarHBondContact O-N 3.1Å; R85-A87 VanDerWaalsContact C-N 3.26Å; R85-A87 PolarHBondContact O-N 3.45Å; A87-T91 WeakPolarHBondContact O-CG2 3.25Å; A87-T91 PolarHBondContact O-N 3.08Å; A87-T91 PolarHBondContact O-OG1 2.83Å; A87-V120 HydrophobicContact CB-CG1 4.34Å; A87-Y123 HydrophobicContact CB-CD1 3.63Å; A87-Y123 HydrophobicContact CB-CE1 3.74Å; A87-L124 HydrophobicContact CB-CD1 4.28Å; A87-L124 HydrophobicContact CB-CD2 3.63Å; A87-L124 HydrophobicContact CB-CG 3.85Å
88I98.2Very high96.1Very high1 Ų144.4 Ų44.41%0.00523%0.229CC..Hα-helixtrans-66.8-51.8173.9-59-58.7000109.9A3 V6 H7 I46 R85 Q86 M90 T91 M92 M114 F117 V120A3-I88 HydrophobicContact CB-CD1 4.11Å; A3-I88 HydrophobicContact CB-CG1 4.31Å; A3-I88 WeakPolarHBondContact O-CD1 3.21Å; V6-I88 HydrophobicContact CB-CG1 4.02Å; V6-I88 HydrophobicContact CG1-CB 4.15Å; V6-I88 HydrophobicContact CG1-CG1 3.96Å; V6-I88 HydrophobicContact CG1-CG2 4.05Å; H7-I88 HydrophobicContact CB-CD1 4Å; I46-I88 HydrophobicContact CG2-CG2 3.95Å; R85-I88 WeakPolarHBondContact O-CB 3.12Å; R85-I88 PolarHBondContact O-N 3.06Å; R85-I88 VanDerWaalsContact O-N 3.13Å; Q86-I88 PolarHBondContact O-N 3.43Å; I88-M90 PolarHBondContact O-N 2.9Å; I88-T91 PolarHBondContact O-N 3.13Å; I88-T91 PolarHBondContact O-OG1 3.22Å; I88-M92 VanDerWaalsContact O-CG 3.25Å; I88-M92 WeakPolarHBondContact O-CG 3.42Å; I88-M92 PolarHBondContact O-N 3.47Å; I88-M114 HydrophobicContact CG2-CG 3.87Å; I88-M114 HydrophobicContact CG2-SD 3.76Å; I88-F117 HydrophobicContact CD1-CE2 4.49Å; I88-V120 HydrophobicContact CD1-CB 4.36Å; I88-V120 HydrophobicContact CD1-CG1 3.65Å; I88-V120 HydrophobicContact CD1-CG2 3.82Å
89E96.2Very high96.1Very high89 Ų8944.8 Ų44.842%0.41623%0.231SC..Hα-helixtrans-59.5-44.9179.2-174.3164-163.600112.1I46 Q86 T91 M92I46-E89 HydrophobicContact CD1-CB 3.66Å; I46-E89 HydrophobicContact CD1-CG 3.77Å; Q86-E89 PolarHBondContact O-N 2.65Å; Q86-E89 VanDerWaalsContact O-N 3.14Å; E89-T91 PolarHBondContact O-N 3.25Å; E89-M92 WeakPolarHBondContact O-CB 3.44Å; E89-M92 PolarHBondContact O-N 3.19Å
90M96.9Very high95.9Very high96 Ų9643.5 Ų43.547%0.47323%0.229SC..Hα-helixtrans-66.6-19-179-69.9-59176.900114.3Q86 I88 Y123 H154Q86-M90 WeakPolarHBondContact O-CB 3.39Å; Q86-M90 WeakPolarHBondContact O-CG 3.42Å; Q86-M90 PolarHBondContact O-N 3.42Å; I88-M90 PolarHBondContact O-N 2.9Å; M90-Y123 HydrophobicContact CB-CE2 4.44Å; M90-H154 WeakPolarHBondContact CE-NE2 3.42Å
91T97.9Very high95.8Very high14 Ų1448.7 Ų48.79%0.08626%0.255CS..Hα-helixtrans-105.7-1.9178.956.60000113.1A87 I88 E89 A115 V120 Y123A87-T91 WeakPolarHBondContact O-CG2 3.25Å; A87-T91 PolarHBondContact O-N 3.08Å; A87-T91 PolarHBondContact O-OG1 2.83Å; I88-T91 PolarHBondContact O-N 3.13Å; I88-T91 PolarHBondContact O-OG1 3.22Å; E89-T91 PolarHBondContact O-N 3.25Å; T91-A115 VanDerWaalsContact O-CB 3.23Å; T91-A115 WeakPolarHBondContact O-CB 3.26Å; T91-V120 WeakPolarHBondContact OG1-CG2 3.32Å; T91-Y123 HydrophobicContact CG2-CD2 4.17Å; T91-Y123 HydrophobicContact CG2-CG 3.94Å
92M96.8Very high95.6Very high21 Ų2154.3 Ų54.310%0.10329%0.294CS..  trans-63.6143.3176.6-67.4-171.28300111.8D44 I46 I88 E89 R112 S113 M114D44-M92 HydrophobicContact CB-CE 4.04Å; I46-M92 HydrophobicContact CB-SD 4.32Å; I46-M92 HydrophobicContact CD1-SD 3.56Å; I46-M92 VanDerWaalsContact CD1-SD 3.56Å; I46-M92 HydrophobicContact CG1-SD 3.85Å; I46-M92 HydrophobicContact CG2-CE 3.72Å; I46-M92 HydrophobicContact CG2-SD 3.57Å; I46-M92 VanDerWaalsContact CG2-SD 3.57Å; I88-M92 VanDerWaalsContact O-CG 3.25Å; I88-M92 WeakPolarHBondContact O-CG 3.42Å; I88-M92 PolarHBondContact O-N 3.47Å; E89-M92 WeakPolarHBondContact O-CB 3.44Å; E89-M92 PolarHBondContact O-N 3.19Å; M92-R112 HydrophobicContact CE-CB 4.06Å; M92-R112 PolarHBondContact O-NH2 2.97Å; M92-S113 VanDerWaalsContact CA-O 3.3Å; M92-S113 WeakPolarHBondContact CA-O 3.39Å; M92-S113 WeakPolarHBondContact CB-O 3.46Å; M92-M114 HydrophobicContact CE-CG 4.38Å
93S96.3Very high95.2Very high36 Ų3655.3 Ų55.325%0.25231%0.314SS..EExtended strand (participates in β ladder)trans-119.7163.8174.744.30000111.4R112 S113S93-R112 WeakPolarHBondContact O-CA 3.44Å; S93-S113 PolarHBondContact N-O 3.29Å; S93-S113 PolarHBondContact O-N 3.27Å
94T95Very high95.1Very high72 Ų7257.6 Ų57.644%0.44233%0.33SS..EExtended strand (participates in β ladder)trans-95.6117.5165.1-59.30000107.4W39 C110 W111W39-T94 HydrophobicContact CH2-CG2 3.9Å; W39-T94 HydrophobicContact CZ3-CG2 3.87Å; T94-C110 HydrophobicContact CG2-CB 3.72Å; T94-W111 WeakPolarHBondContact CA-O 3.41Å
95D94.1Very high94.9Very high68 Ų6861.1 Ų61.136%0.36435%0.352SS..EExtended strand (participates in β ladder)trans-95.8148.8170.5-68.1-39.1000109.1C110 W111 S113D95-C110 CarbonylContact O-C 3.52Å; D95-C110 WeakPolarHBondContact O-CA 3.48Å; D95-C110 WeakPolarHBondContact O-CB 3.41Å; D95-W111 HydrophobicContact CB-CD2 4.42Å; D95-W111 HydrophobicContact CB-CZ2 3.99Å; D95-W111 PolarHBondContact N-O 2.87Å; D95-W111 PolarHBondContact O-N 3.04Å; D95-S113 WeakPolarHBondContact OD2-CB 3.48Å; D95-S113 PolarHBondContact OD2-OG 2.88Å
96C94.1Very high94.6Very high56 Ų5664.4 Ų64.438%0.37838%0.38SS..EExtended strand (participates in β ladder)trans-135.9146.5178.4-56.30000111.3K108 T109 C110C96-K108 HydrophobicContact CB-CD 4.15Å; C96-T109 CarbonylContact C-O 3.5Å; C96-T109 VanDerWaalsContact CA-O 3.27Å; C96-T109 WeakPolarHBondContact CA-O 3.25Å; C96-C110 HydrophobicContact CB-CB 4.09Å; C96-C110 WeakPolarHBondContact CB-SG 3.45Å; C96-C110 WeakPolarHBondContact SG-CB 3.5Å; C96-C110 CovalentContact SG-SG 2.05Å; C96-C110 PolarHBondContact SG-SG 3.38Å
97R95.1Very high94.4Very high162 Ų16266 Ų6661%0.61139%0.393SS*.EExtended strand (participates in β ladder)trans-112.1131.9168.4-175.3171.8179.81681.6109.9H99 K108 T109 W111R97-H99 PolarHBondContact O-CD2 2.89Å; R97-H99 VanDerWaalsContact O-CD2 3.31Å; R97-K108 CarbonylContact O-C 3.56Å; R97-K108 WeakPolarHBondContact O-CA 3.5Å; R97-K108 WeakPolarHBondContact O-CB 3.49Å; R97-T109 PolarHBondContact N-O 3.33Å; R97-T109 PolarHBondContact O-N 2.91Å; R97-W111 HydrophobicContact CB-CH2 3.88Å; R97-W111 HydrophobicContact CB-CZ3 3.85Å
98C95.1Very high94.2Very high40 Ų4069.7 Ų69.727%0.2741%0.409SS..EExtended strand (participates in β ladder)trans-89137177.5-60.30000110.6S104 C105C98-S104 WeakPolarHBondContact CB-O 3.19Å; C98-C105 HydrophobicContact CB-CB 3.84Å; C98-C105 WeakPolarHBondContact CB-SG 3.36Å; C98-C105 VanDerWaalsContact SG-CA 3.58Å; C98-C105 WeakPolarHBondContact SG-CB 3.48Å; C98-C105 CovalentContact SG-SG 2.03Å; C98-C105 PolarHBondContact SG-SG 3.38Å
99H91.4Very high94Very high100 Ų10070.5 Ų70.546%0.46341%0.414SS..  trans-127.77.4-173.8-64.7-71.7000113.2R97 V107 T109R97-H99 PolarHBondContact O-CD2 2.89Å; R97-H99 VanDerWaalsContact O-CD2 3.31Å; H99-V107 PolarHBondContact N-O 3.4Å; H99-T109 PolarHBondContact CD2-OG1 3.46Å
100G90.6Very high94Very high17 Ų1766.5 Ų66.518%0.17540%0.396CS..SBendtrans-70.1166.6178.100000113S102 G103 S104G100-S102 PolarHBondContact O-N 3Å; G100-G103 PolarHBondContact O-N 3.19Å; G100-S104 VanDerWaalsContact C-OG 3.22Å; G100-S104 WeakPolarHBondContact CA-O 3.3Å; G100-S104 WeakPolarHBondContact CA-OG 3.4Å; G100-S104 PolarHBondContact N-O 3.43Å; G100-S104 PolarHBondContact O-N 3.03Å
101I94.1Very high93.9Very high151 Ų15165.1 Ų65.177%0.77439%0.385SS*.G310 helixtrans-51.3134.3179-61.3168.9000109.5G103 S104I101-G103 PolarHBondContact O-N 3.02Å; I101-G103 VanDerWaalsContact O-N 3.15Å; I101-S104 PolarHBondContact N-OG 2.92Å; I101-S104 WeakPolarHBondContact O-CB 3.4Å; I101-S104 PolarHBondContact O-N 2.79Å; I101-S104 VanDerWaalsContact O-N 3.12Å; I101-S104 PolarHBondContact O-OG 3.18Å
102S91.1Very high93.8Very high130 Ų13068.4 Ų68.491%0.90940%0.396SS*.G310 helixtrans54.727.3-177.2-55.90000115G100G100-S102 PolarHBondContact O-N 3Å
103G88.3Confident93.8Very high57 Ų5768 Ų6859%0.58840%0.395SS*.G310 helixtrans83.712.5179.200000114.6G100 I101G100-G103 PolarHBondContact O-N 3.19Å; I101-G103 PolarHBondContact O-N 3.02Å; I101-G103 VanDerWaalsContact O-N 3.15Å
104S93.8Very high93.9Very high51 Ų5167 Ų6736%0.35739%0.387SS..  trans-65156.2174.558.30000112.5C98 G100 I101C98-S104 WeakPolarHBondContact CB-O 3.19Å; G100-S104 VanDerWaalsContact C-OG 3.22Å; G100-S104 WeakPolarHBondContact CA-O 3.3Å; G100-S104 WeakPolarHBondContact CA-OG 3.4Å; G100-S104 PolarHBondContact N-O 3.43Å; G100-S104 PolarHBondContact O-N 3.03Å; I101-S104 PolarHBondContact N-OG 2.92Å; I101-S104 WeakPolarHBondContact O-CB 3.4Å; I101-S104 PolarHBondContact O-N 2.79Å; I101-S104 VanDerWaalsContact O-N 3.12Å; I101-S104 PolarHBondContact O-OG 3.18Å
105C94.1Very high94Very high80 Ų8063.7 Ų63.754%0.54137%0.367SS..SBendtrans-95.620.9179.4-63.20000114C98 V107C98-C105 HydrophobicContact CB-CB 3.84Å; C98-C105 WeakPolarHBondContact CB-SG 3.36Å; C98-C105 VanDerWaalsContact SG-CA 3.58Å; C98-C105 WeakPolarHBondContact SG-CB 3.48Å; C98-C105 CovalentContact SG-SG 2.03Å; C98-C105 PolarHBondContact SG-SG 3.38Å; C105-V107 PolarHBondContact O-N 3.42Å
106A92.6Very high94.2Very high73 Ų7364.1 Ų64.160%0.60337%0.373SS*.SBendtrans-59.2-31.9176.500000112.3G36G36-A106 WeakPolarHBondContact CA-O 3.01Å
107V93.1Very high94.4Very high73 Ų7365.6 Ų65.644%0.44237%0.373SS..SBendtrans-127.1131.9165.8-176.90000108.5G36 H99 C105G36-V107 CarbonylContact O-C 3.1Å; G36-V107 VanDerWaalsContact O-CA 3.25Å; G36-V107 WeakPolarHBondContact O-CA 3.03Å; H99-V107 PolarHBondContact N-O 3.4Å; C105-V107 PolarHBondContact O-N 3.42Å
108K94.5Very high94.5Very high76 Ų7665.1 Ų65.133%0.3338%0.378SS..EExtended strand (participates in β ladder)trans-137.1147.6176.866.3-176.5178.7-175.50112.8G36 W37 H38 C96 R97G36-K108 PolarHBondContact O-N 2.83Å; W37-K108 VanDerWaalsContact CA-O 3.29Å; W37-K108 WeakPolarHBondContact CA-O 3.24Å; W37-K108 HydrophobicContact CB-CD 4.24Å; W37-K108 HydrophobicContact CB-CG 3.59Å; H38-K108 PolarHBondContact N-O 3.03Å; H38-K108 VanDerWaalsContact N-O 3.13Å; C96-K108 HydrophobicContact CB-CD 4.15Å; R97-K108 CarbonylContact O-C 3.56Å; R97-K108 WeakPolarHBondContact O-CA 3.5Å; R97-K108 WeakPolarHBondContact O-CB 3.49Å
109T93.8Very high94.7Very high19 Ų1969.8 Ų69.812%0.11739%0.39CS..EExtended strand (participates in β ladder)trans-108.6128.7172.9-53.30000108.7H38 G40 C96 R97 H99H38-T109 VanDerWaalsContact CE1-CG2 3.46Å; H38-T109 WeakPolarHBondContact CE1-CG2 3.43Å; H38-T109 PolarHBondContact CE1-OG1 3.45Å; H38-T109 PolarHBondContact NE2-OG1 2.9Å; H38-T109 WeakPolarHBondContact O-CA 3.31Å; G40-T109 VanDerWaalsContact CA-CG2 3.47Å; C96-T109 CarbonylContact C-O 3.5Å; C96-T109 VanDerWaalsContact CA-O 3.27Å; C96-T109 WeakPolarHBondContact CA-O 3.25Å; R97-T109 PolarHBondContact N-O 3.33Å; R97-T109 PolarHBondContact O-N 2.91Å; H99-T109 PolarHBondContact CD2-OG1 3.46Å
110C95.3Very high95Very high4 Ų465.1 Ų65.13%0.02737%0.368CS..EExtended strand (participates in β ladder)trans-117.6152.9-177.5-560000112.5H38 W39 G40 T94 D95 C96H38-C110 PolarHBondContact O-N 2.85Å; W39-C110 WeakPolarHBondContact CA-O 3.15Å; W39-C110 HydrophobicContact CE3-CB 4.39Å; W39-C110 HydrophobicContact CZ3-CB 4.41Å; G40-C110 PolarHBondContact N-O 2.98Å; T94-C110 HydrophobicContact CG2-CB 3.72Å; D95-C110 CarbonylContact O-C 3.52Å; D95-C110 WeakPolarHBondContact O-CA 3.48Å; D95-C110 WeakPolarHBondContact O-CB 3.41Å; C96-C110 HydrophobicContact CB-CB 4.09Å; C96-C110 WeakPolarHBondContact CB-SG 3.45Å; C96-C110 WeakPolarHBondContact SG-CB 3.5Å; C96-C110 CovalentContact SG-SG 2.05Å; C96-C110 PolarHBondContact SG-SG 3.38Å
111W95.7Very high95.4Very high68 Ų6865.9 Ų65.926%0.25838%0.377SS..EExtended strand (participates in β ladder)trans-142.7156173.657.593.5000110.3G40 S43 T94 D95 R97G40-W111 WeakPolarHBondContact O-CB 3.12Å; S43-W111 WeakPolarHBondContact OG-CA 3.31Å; T94-W111 WeakPolarHBondContact CA-O 3.41Å; D95-W111 HydrophobicContact CB-CD2 4.42Å; D95-W111 HydrophobicContact CB-CZ2 3.99Å; D95-W111 PolarHBondContact N-O 2.87Å; D95-W111 PolarHBondContact O-N 3.04Å; R97-W111 HydrophobicContact CB-CH2 3.88Å; R97-W111 HydrophobicContact CB-CZ3 3.85Å
112R95.9Very high95.6Very high83 Ų8361.7 Ų61.731%0.31337%0.365SS..EExtended strand (participates in β ladder)trans-88128.8173.4-69-15073.51771.8110.5L27 W39 S43 D44 M92 S93L27-R112 HydrophobicContact CD1-CB 4.39Å; L27-R112 HydrophobicContact CD1-CG 3.73Å; W39-R112 HydrophobicContact CH2-CG 3.74Å; W39-R112 HydrophobicContact CZ3-CG 3.69Å; S43-R112 CarbonylContact C-O 3.57Å; S43-R112 VanDerWaalsContact CA-O 3.28Å; S43-R112 WeakPolarHBondContact CA-O 3.47Å; S43-R112 PolarHBondContact OG-N 3.48Å; D44-R112 PolarHBondContact N-O 2.91Å; M92-R112 HydrophobicContact CE-CB 4.06Å; M92-R112 PolarHBondContact O-NH2 2.97Å; S93-R112 WeakPolarHBondContact O-CA 3.44Å
113S96.3Very high95.9Very high13 Ų1357.7 Ų57.79%0.09133%0.33CS..EExtended strand (participates in β ladder)trans-123.7147.418064.60000111.4D44 M92 S93 D95D44-S113 WeakPolarHBondContact OD2-CA 3.28Å; M92-S113 VanDerWaalsContact CA-O 3.3Å; M92-S113 WeakPolarHBondContact CA-O 3.39Å; M92-S113 WeakPolarHBondContact CB-O 3.46Å; S93-S113 PolarHBondContact N-O 3.29Å; S93-S113 PolarHBondContact O-N 3.27Å; D95-S113 WeakPolarHBondContact OD2-CB 3.48Å; D95-S113 PolarHBondContact OD2-OG 2.88Å
114M97.5Very high96.4Very high14 Ų1456.8 Ų56.87%0.06931%0.311CS..PPolyproline II helixtrans-69.7138.4166.1-66.5-175.9-63.200109.5H7 T10 R11 D44 I46 I88 M92H7-M114 WeakPolarHBondContact O-CE 3.27Å; T10-M114 HydrophobicContact CG2-CE 3.72Å; T10-M114 HydrophobicContact CG2-SD 3.76Å; R11-M114 HydrophobicContact CB-CE 3.96Å; D44-M114 HydrophobicContact CB-CE 4.49Å; D44-M114 HydrophobicContact CB-CG 3.98Å; D44-M114 PolarHBondContact OD2-N 3.49Å; I46-M114 HydrophobicContact CG2-CG 3.79Å; I46-M114 HydrophobicContact CG2-SD 4.04Å; I88-M114 HydrophobicContact CG2-CG 3.87Å; I88-M114 HydrophobicContact CG2-SD 3.76Å; M92-M114 HydrophobicContact CE-CG 4.38Å
115A97.9Very high96.6Very high2 Ų259 Ų592%0.01732%0.315CS..PPolyproline II helixtrans-60.2158.4171.500000112.3H7 T91 F117 R119H7-A115 PolarHBondContact NE2-O 3.49Å; T91-A115 VanDerWaalsContact O-CB 3.23Å; T91-A115 WeakPolarHBondContact O-CB 3.26Å; A115-F117 PolarHBondContact O-N 3.49Å; A115-R119 HydrophobicContact CB-CB 4.13Å; A115-R119 HydrophobicContact CB-CG 4.42Å
116P97.6Very high96.7Very high78 Ų7858.8 Ų58.851%0.50631%0.305SS..PPolyproline II helixtrans-51.5137.7164-24.433.9000110.5Q118 R119 V120P116-Q118 PolarHBondContact O-N 3.25Å; P116-R119 WeakPolarHBondContact O-CB 3.49Å; P116-R119 PolarHBondContact O-N 3.49Å; P116-V120 PolarHBondContact O-N 3.34Å
117F98.1Very high96.9Very high86 Ų8658.2 Ų58.238%0.37729%0.288SS..Hα-helixtrans-62.4-23-173-163.7-109.7000112.8A3 H7 I88 A115 R119 V120 G121A3-F117 HydrophobicContact CB-CE2 4.31Å; H7-F117 HydrophobicContact CB-CD2 3.84Å; H7-F117 HydrophobicContact CB-CE2 4Å; H7-F117 AromaticContact CD2-CD2 3.83Å; H7-F117 AromaticContact CG-CD2 3.61Å; H7-F117 AromaticContact ND1-CD2 3.98Å; I88-F117 HydrophobicContact CD1-CE2 4.49Å; A115-F117 PolarHBondContact O-N 3.49Å; F117-R119 VanDerWaalsContact C-N 3.31Å; F117-R119 PolarHBondContact O-N 3.06Å; F117-V120 HydrophobicContact CD2-CB 4.11Å; F117-V120 HydrophobicContact CD2-CG1 4.34Å; F117-V120 HydrophobicContact CD2-CG2 4.29Å; F117-V120 HydrophobicContact CE2-CB 4.38Å; F117-V120 HydrophobicContact CE2-CG1 4.14Å; F117-V120 WeakPolarHBondContact O-CB 3.25Å; F117-V120 PolarHBondContact O-N 3.14Å; F117-G121 PolarHBondContact O-N 2.97Å
118Q98.2Very high97.1Very high153 Ų15360.9 Ų60.972%0.71529%0.291SS*.Hα-helixtrans-58.7-40.8170.9-62.384.1-8.800112P116 G121 A122P116-Q118 PolarHBondContact O-N 3.25Å; Q118-G121 PolarHBondContact O-N 3.37Å; Q118-A122 PolarHBondContact O-N 3.41Å
119R98.3Very high97.1Very high138 Ų13863.6 Ų63.652%0.52131%0.305SS..Hα-helixtrans-68.8-40.3177.3-171.8-175.7-67.8172.8-3.2111.1A115 P116 F117 G121 A122 Y123A115-R119 HydrophobicContact CB-CB 4.13Å; A115-R119 HydrophobicContact CB-CG 4.42Å; P116-R119 WeakPolarHBondContact O-CB 3.49Å; P116-R119 PolarHBondContact O-N 3.49Å; F117-R119 VanDerWaalsContact C-N 3.31Å; F117-R119 PolarHBondContact O-N 3.06Å; R119-G121 VanDerWaalsContact C-N 3.31Å; R119-G121 PolarHBondContact O-N 3.38Å; R119-A122 PolarHBondContact O-N 3.06Å; R119-Y123 WeakPolarHBondContact O-CB 3.48Å; R119-Y123 PolarHBondContact O-N 3.43Å
120V98.4Very high97.2Very high1 Ų171 Ų711%0.00633%0.331CS..Hα-helixtrans-59.4-45172.4-178.50000110.5A3 A87 I88 T91 P116 F117 Y123 L124A3-V120 HydrophobicContact CB-CG1 4.21Å; A87-V120 HydrophobicContact CB-CG1 4.34Å; I88-V120 HydrophobicContact CD1-CB 4.36Å; I88-V120 HydrophobicContact CD1-CG1 3.65Å; I88-V120 HydrophobicContact CD1-CG2 3.82Å; T91-V120 WeakPolarHBondContact OG1-CG2 3.32Å; P116-V120 PolarHBondContact O-N 3.34Å; F117-V120 HydrophobicContact CD2-CB 4.11Å; F117-V120 HydrophobicContact CD2-CG1 4.34Å; F117-V120 HydrophobicContact CD2-CG2 4.29Å; F117-V120 HydrophobicContact CE2-CB 4.38Å; F117-V120 HydrophobicContact CE2-CG1 4.14Å; F117-V120 WeakPolarHBondContact O-CB 3.25Å; F117-V120 PolarHBondContact O-N 3.14Å; V120-Y123 WeakPolarHBondContact O-CB 3.29Å; V120-Y123 PolarHBondContact O-N 2.88Å; V120-L124 HydrophobicContact CG1-CD1 4.11Å; V120-L124 WeakPolarHBondContact O-CG 3.45Å; V120-L124 PolarHBondContact O-N 3.29Å
121G98.3Very high97.1Very high34 Ų3472.5 Ų72.535%0.35134%0.341SS..Hα-helixtrans-61.4-44.3177.500000112.5F117 Q118 R119 L124 K125F117-G121 PolarHBondContact O-N 2.97Å; Q118-G121 PolarHBondContact O-N 3.37Å; R119-G121 VanDerWaalsContact C-N 3.31Å; R119-G121 PolarHBondContact O-N 3.38Å; G121-L124 PolarHBondContact O-N 3.24Å; G121-K125 WeakPolarHBondContact O-CB 3.4Å; G121-K125 PolarHBondContact O-N 3.05Å
122A98.2Very high97Very high63 Ų6371.8 Ų71.852%0.52134%0.344SS..Hα-helixtrans-61.6-45.417500000111.9Q118 R119 L124 K125 E126Q118-A122 PolarHBondContact O-N 3.41Å; R119-A122 PolarHBondContact O-N 3.06Å; A122-L124 PolarHBondContact O-N 2.84Å; A122-K125 WeakPolarHBondContact O-CB 3.48Å; A122-K125 PolarHBondContact O-N 3.29Å; A122-K125 VanDerWaalsContact O-N 3.17Å; A122-E126 PolarHBondContact O-N 3.44Å
123Y98.3Very high96.7Very high45 Ų4571.8 Ų71.818%0.17635%0.348CS..Hα-helixtrans-57.6-47.4175.4177.8-90.8000111.8A87 M90 T91 R119 V120 K125 E126 R127A87-Y123 HydrophobicContact CB-CD1 3.63Å; A87-Y123 HydrophobicContact CB-CE1 3.74Å; M90-Y123 HydrophobicContact CB-CE2 4.44Å; T91-Y123 HydrophobicContact CG2-CD2 4.17Å; T91-Y123 HydrophobicContact CG2-CG 3.94Å; R119-Y123 WeakPolarHBondContact O-CB 3.48Å; R119-Y123 PolarHBondContact O-N 3.43Å; V120-Y123 WeakPolarHBondContact O-CB 3.29Å; V120-Y123 PolarHBondContact O-N 2.88Å; Y123-K125 VanDerWaalsContact C-N 3.33Å; Y123-K125 PolarHBondContact O-N 3.35Å; Y123-E126 PolarHBondContact O-N 3.48Å; Y123-R127 HydrophobicContact CE1-CG 4.38Å; Y123-R127 PolarHBondContact O-N 3.33Å; Y123-R127 PolarHBondContact OH-NH2 2.95Å
124L98.4Very high96.3Very high38 Ų3873.3 Ų73.320%0.19936%0.356CS..Hα-helixtrans-67.4-32.8177.2-72.9172000112.6A3 A87 V120 G121 A122 R127 Y128A3-L124 HydrophobicContact CB-CD1 3.93Å; A87-L124 HydrophobicContact CB-CD1 4.28Å; A87-L124 HydrophobicContact CB-CD2 3.63Å; A87-L124 HydrophobicContact CB-CG 3.85Å; V120-L124 HydrophobicContact CG1-CD1 4.11Å; V120-L124 WeakPolarHBondContact O-CG 3.45Å; V120-L124 PolarHBondContact O-N 3.29Å; G121-L124 PolarHBondContact O-N 3.24Å; A122-L124 PolarHBondContact O-N 2.84Å; L124-R127 PolarHBondContact O-N 3.06Å; L124-Y128 WeakPolarHBondContact O-CB 3.47Å; L124-Y128 PolarHBondContact O-N 3.33Å
125K97.6Very high95.2Very high99 Ų9975.7 Ų75.743%0.4337%0.374SS..Hα-helixtrans-64.6-40.8176.6-177.461.5174.176.80111.7G121 A122 Y123 R127 Y128 E129G121-K125 WeakPolarHBondContact O-CB 3.4Å; G121-K125 PolarHBondContact O-N 3.05Å; A122-K125 WeakPolarHBondContact O-CB 3.48Å; A122-K125 PolarHBondContact O-N 3.29Å; A122-K125 VanDerWaalsContact O-N 3.17Å; Y123-K125 VanDerWaalsContact C-N 3.33Å; Y123-K125 PolarHBondContact O-N 3.35Å; K125-R127 VanDerWaalsContact C-N 3.33Å; K125-R127 PolarHBondContact O-N 3.17Å; K125-Y128 HydrophobicContact CD-CD1 4.27Å; K125-Y128 WeakPolarHBondContact O-CB 3.35Å; K125-Y128 PolarHBondContact O-N 3.45Å; K125-E129 VanDerWaalsContact NZ-CD 3.35Å; K125-E129 VanDerWaalsContact NZ-CG 3.26Å; K125-E129 IonicContact NZ-OE1 2.68Å; K125-E129 PolarHBondContact NZ-OE1 2.92Å; K125-E129 WeakPolarHBondContact O-CG 3.43Å; K125-E129 PolarHBondContact O-N 3.26Å
126E97Very high93.8Very high74 Ų7478.1 Ų78.135%0.34639%0.387SS..Hα-helixtrans-61-43.4174.4-171.9-170.8174.600111.1A122 Y123 Y128 E129 R130A122-E126 PolarHBondContact O-N 3.44Å; Y123-E126 PolarHBondContact O-N 3.48Å; E126-Y128 VanDerWaalsContact C-N 3.3Å; E126-Y128 PolarHBondContact O-N 2.85Å; E126-E129 PolarHBondContact O-N 2.54Å; E126-R130 PolarHBondContact O-N 3.11Å; E126-R130 VanDerWaalsContact O-N 3.15Å; E126-R130 IonicContact OE1-CZ 2.79Å; E126-R130 VanDerWaalsContact OE1-CZ 3.26Å; E126-R130 IonicContact OE1-NH1 3.7Å; E126-R130 PolarHBondContact OE1-NH1 3Å; E126-R130 IonicContact OE1-NH2 3.93Å; E126-R130 PolarHBondContact OE1-NH2 2.94Å
127R97.2Very high91.9Very high62 Ų6285.3 Ų85.323%0.23440%0.404CS..Hα-helixtrans-68-29.8176.6-59-49.5179.2105-7113.2Y123 L124 K125 R130 S131 H154 L156Y123-R127 HydrophobicContact CE1-CG 4.38Å; Y123-R127 PolarHBondContact O-N 3.33Å; Y123-R127 PolarHBondContact OH-NH2 2.95Å; L124-R127 PolarHBondContact O-N 3.06Å; K125-R127 VanDerWaalsContact C-N 3.33Å; K125-R127 PolarHBondContact O-N 3.17Å; R127-R130 CarbonylContact O-C 3.58Å; R127-S131 WeakPolarHBondContact O-CA 3.5Å; R127-S131 PolarHBondContact O-N 3.31Å; R127-S131 VanDerWaalsContact O-N 3.09Å; R127-H154 VanDerWaalsContact NH1-C 3.35Å; R127-H154 VanDerWaalsContact NH1-CB 3.25Å; R127-H154 PolarHBondContact NH1-O 2.9Å; R127-L156 HydrophobicContact CB-CD1 4.26Å; R127-L156 HydrophobicContact CB-CG 4.13Å
128Y96.9Very high89.8Confident129 Ų12983.5 Ų83.551%0.50640%0.404SS..Hα-helixtrans-66-44.8172.6170-90.8000111.4L124 K125 E126 R130 S131L124-Y128 WeakPolarHBondContact O-CB 3.47Å; L124-Y128 PolarHBondContact O-N 3.33Å; K125-Y128 HydrophobicContact CD-CD1 4.27Å; K125-Y128 WeakPolarHBondContact O-CB 3.35Å; K125-Y128 PolarHBondContact O-N 3.45Å; E126-Y128 VanDerWaalsContact C-N 3.3Å; E126-Y128 PolarHBondContact O-N 2.85Å; Y128-R130 VanDerWaalsContact C-N 3.26Å; Y128-R130 PolarHBondContact O-N 3.42Å; Y128-S131 VanDerWaalsContact O-CB 3.28Å; Y128-S131 WeakPolarHBondContact O-CB 3.12Å; Y128-S131 PolarHBondContact O-N 3.37Å; Y128-S131 PolarHBondContact O-OG 3.31Å
129E95.2Very high87.6Confident133 Ų13386.9 Ų86.962%0.62141%0.411SS*.Hα-helixtrans-64.5-30.5178.3-71174.617700112.9K125 E126K125-E129 VanDerWaalsContact NZ-CD 3.35Å; K125-E129 VanDerWaalsContact NZ-CG 3.26Å; K125-E129 IonicContact NZ-OE1 2.68Å; K125-E129 PolarHBondContact NZ-OE1 2.92Å; K125-E129 WeakPolarHBondContact O-CG 3.43Å; K125-E129 PolarHBondContact O-N 3.26Å; E126-E129 PolarHBondContact O-N 2.54Å
130R94.3Very high85.5Confident175 Ų17586.6 Ų86.666%0.6641%0.41SS*.THydrogen-bonded Turntrans-101.518.1177.8-60.9-178.3-179.3156.37.8113.5E126 R127 Y128E126-R130 PolarHBondContact O-N 3.11Å; E126-R130 VanDerWaalsContact O-N 3.15Å; E126-R130 IonicContact OE1-CZ 2.79Å; E126-R130 VanDerWaalsContact OE1-CZ 3.26Å; E126-R130 IonicContact OE1-NH1 3.7Å; E126-R130 PolarHBondContact OE1-NH1 3Å; E126-R130 IonicContact OE1-NH2 3.93Å; E126-R130 PolarHBondContact OE1-NH2 2.94Å; R127-R130 CarbonylContact O-C 3.58Å; Y128-R130 VanDerWaalsContact C-N 3.26Å; Y128-R130 PolarHBondContact O-N 3.42Å
131S94.4Very high83.1Confident34 Ų3496.3 Ų96.324%0.23845%0.452CS..  trans-64.2149.5-175.459.70000112.8R127 Y128 L156R127-S131 WeakPolarHBondContact O-CA 3.5Å; R127-S131 PolarHBondContact O-N 3.31Å; R127-S131 VanDerWaalsContact O-N 3.09Å; Y128-S131 VanDerWaalsContact O-CB 3.28Å; Y128-S131 WeakPolarHBondContact O-CB 3.12Å; Y128-S131 PolarHBondContact O-N 3.37Å; Y128-S131 PolarHBondContact O-OG 3.31Å; S131-L156 CarbonylContact C-O 3.52Å; S131-L156 WeakPolarHBondContact CA-O 3.45Å; S131-L156 VanDerWaalsContact CB-O 3.24Å; S131-L156 WeakPolarHBondContact CB-O 3.47Å
132V92.2Very high80.9Confident54 Ų54100.9 Ų100.933%0.32747%0.473SS..EExtended strand (participates in β ladder)trans-105.3127.9-172-1790000110.8V134 L156 I157 Y158V132-V134 HydrophobicContact CG1-CG1 4.49Å; V132-V134 PolarHBondContact O-N 3.49Å; V132-L156 PolarHBondContact N-O 2.93Å; V132-I157 HydrophobicContact CB-CG2 4.5Å; V132-I157 VanDerWaalsContact O-CA 3.29Å; V132-I157 WeakPolarHBondContact O-CA 3.47Å; V132-Y158 PolarHBondContact O-N 3.48Å
133Q90.8Very high78.5Confident83 Ų83108.8 Ų108.839%0.38849%0.489SS..EExtended strand (participates in β ladder)trans-74.6125.6171.2-164.2175.29.800110.6Y158 L159Q133-Y158 CarbonylContact C-O 3.59Å; Q133-Y158 VanDerWaalsContact CA-O 3.32Å; Q133-Y158 WeakPolarHBondContact CA-O 3.39Å; Q133-Y158 HydrophobicContact CB-CD2 4.19Å; Q133-Y158 HydrophobicContact CB-CE1 4.06Å; Q133-Y158 HydrophobicContact CB-CE2 3.57Å; Q133-Y158 HydrophobicContact CG-CD2 3.91Å; Q133-Y158 HydrophobicContact CG-CE2 3.49Å; Q133-Y158 VanDerWaalsContact CG-CE2 3.49Å; Q133-L159 PolarHBondContact NE2-O 3.41Å
134V87.3Confident76.2Confident45 Ų45116.2 Ų116.227%0.27352%0.523SS..  trans-113141.2175-56.10000110.9V132 I157 Y158 L159V132-V134 HydrophobicContact CG1-CG1 4.49Å; V132-V134 PolarHBondContact O-N 3.49Å; V134-I157 HydrophobicContact CG1-CB 4.13Å; V134-I157 HydrophobicContact CG1-CG2 4.04Å; V134-I157 HydrophobicContact CG2-CB 4.41Å; V134-I157 HydrophobicContact CG2-CD1 4.24Å; V134-Y158 PolarHBondContact N-O 3.13Å; V134-L159 HydrophobicContact CG2-CD2 3.66Å
135S75.3Confident73.6Confident63 Ų63123.8 Ų123.844%0.44155%0.554SS.*  trans-101.8145.8179.661.90000111.2R137 R140S135-R137 PolarHBondContact O-N 3.46Å; S135-R140 PolarHBondContact OG-NE 2.9Å
136D67Low71.2Confident53 Ų53123.9 Ų123.928%0.28356%0.559SS.*  trans-57.2127.1168.6-172.7-18.7000110R68 A138 R139R68-D136 IonicContact CZ-OD1 3.43Å; R68-D136 IonicContact NE-OD1 3.44Å; R68-D136 IonicContact NE-OD2 3.67Å; R68-D136 PolarHBondContact NE-OD2 3.43Å; R68-D136 IonicContact NH2-OD1 3.26Å; R68-D136 PolarHBondContact NH2-OD1 3.29Å; D136-A138 PolarHBondContact O-N 3.15Å; D136-A138 PolarHBondContact OD1-N 3.05Å; D136-A138 VanDerWaalsContact OD1-N 3.07Å; D136-R139 PolarHBondContact O-N 3.36Å
137R59.1Low68.9Low230 Ų230129 Ų12987%0.86858%0.583SS**G310 helixtrans-54.2-18.7179.6-76.5179.9172.6173.8-2.5112.7S135 R139S135-R137 PolarHBondContact O-N 3.46Å; R137-R139 VanDerWaalsContact C-N 3.35Å; R137-R139 PolarHBondContact O-N 3.22Å
138A53.8Low67Low47 Ų47134.3 Ų134.339%0.38860%0.603SS.*G310 helixtrans-55.4-40.1175.500000115.2R68 D136 R140R68-A138 VanDerWaalsContact NH2-CA 3.33Å; D136-A138 PolarHBondContact O-N 3.15Å; D136-A138 PolarHBondContact OD1-N 3.05Å; D136-A138 VanDerWaalsContact OD1-N 3.07Å; A138-R140 PolarHBondContact O-N 3.06Å
139R52.3Low65.6Low225 Ų225137 Ų13785%0.84961%0.613SS**G310 helixtrans-837.9-168.6-76.3-173167.4-157.7-2.7113.4D136 R137D136-R139 PolarHBondContact O-N 3.36Å; R137-R139 VanDerWaalsContact C-N 3.35Å; R137-R139 PolarHBondContact O-N 3.22Å
140R53.8Low64.5Low131 Ų131136.5 Ų136.549%0.49462%0.62SS.*G310 helixtrans-114.323.9-165.5-83.3-172.3174.8-171-1.6115.5S135 A138 T142S135-R140 PolarHBondContact OG-NE 2.9Å; A138-R140 PolarHBondContact O-N 3.06Å; R140-T142 PolarHBondContact O-N 3.06Å
141K47.9Very low63.8Low205 Ų205129.7 Ų129.789%0.89160%0.602SS**SBendtrans-72.3-8.2168.4-79.5-165.7175.8-174.70114
142T52.3Low63.5Low130 Ų130131.5 Ų131.580%0.79861%0.609SS**SBendtrans-142.922.8-168.643.50000117R140R140-T142 PolarHBondContact O-N 3.06Å
143R48.5Very low63.4Low229 Ų229136.2 Ų136.286%0.86463%0.625SS**SBendtrans-131131.3168.8-80.2-172.5165.2176.7-5.2111.7
144K48.5Very low63.5Low202 Ų202134.3 Ų134.388%0.87862%0.616SS**  trans-30.3143.2177.8-88.7174.9169.3176.20112.1D146K144-D146 PolarHBondContact O-N 3.13Å
145K44.6Very low63.8Low197 Ų197133.6 Ų133.686%0.85761%0.61SS**  trans-51.569.8171.9-167.9-178.4-177.1-1790111.3Q147K145-Q147 PolarHBondContact O-N 3.21Å; K145-Q147 VanDerWaalsContact O-N 3.1Å
146D46.9Very low64.8Low100 Ų100132 Ų13254%0.53560%0.596SS.*  trans-65.3108.3166.4-130.625.9000104.3K144 R148K144-D146 PolarHBondContact O-N 3.13Å; D146-R148 HydrophobicContact CB-CG 4.46Å; D146-R148 PolarHBondContact O-N 3.32Å; D146-R148 IonicContact OD2-CZ 3.81Å; D146-R148 IonicContact OD2-NE 2.88Å; D146-R148 PolarHBondContact OD2-NE 3.45Å; D146-R148 VanDerWaalsContact OD2-NE 3.1Å; D146-R148 IonicContact OD2-NH2 2.92Å; D146-R148 PolarHBondContact OD2-NH2 3Å
147Q49Very low66.1Low182 Ų182130.3 Ų130.385%0.8559%0.587SS**  trans-67.360.2-177.9-65179.84.100110.8K145 R149K145-Q147 PolarHBondContact O-N 3.21Å; K145-Q147 VanDerWaalsContact O-N 3.1Å; Q147-R149 PolarHBondContact O-N 3.09Å
148R56.1Low67.7Low173 Ų173122.9 Ų122.965%0.65356%0.559SS**  trans-86.2108.9175.3-66.4-172.6-172.4-153.9-4.5107.8D146D146-R148 HydrophobicContact CB-CG 4.46Å; D146-R148 PolarHBondContact O-N 3.32Å; D146-R148 IonicContact OD2-CZ 3.81Å; D146-R148 IonicContact OD2-NE 2.88Å; D146-R148 PolarHBondContact OD2-NE 3.45Å; D146-R148 VanDerWaalsContact OD2-NE 3.1Å; D146-R148 IonicContact OD2-NH2 2.92Å; D146-R148 PolarHBondContact OD2-NH2 3Å
149R68.2Low69.4Low187 Ų187122.2 Ų122.271%0.70655%0.549SS*.PPolyproline II helixtrans-50.1146.4176.266.8-177-171.4-166.13.7110.7Q147 A151 E155Q147-R149 PolarHBondContact O-N 3.09Å; R149-A151 PolarHBondContact O-N 3.41Å; R149-E155 IonicContact CZ-OE1 3.1Å; R149-E155 IonicContact NH2-OE1 3.85Å; R149-E155 PolarHBondContact NH2-OE1 3.42Å
150P72.2Confident71.2Confident121 Ų121117.9 Ų117.979%0.78654%0.543SS*.PPolyproline II helixtrans-50139.3165-23.233.6000109.8D152P150-D152 PolarHBondContact O-N 2.92Å
151A80.5Confident73.1Confident33 Ų33119.3 Ų119.327%0.27355%0.552SS.*PPolyproline II helixtrans-60135.517700000109.6R149 I157R149-A151 PolarHBondContact O-N 3.41Å; A151-I157 HydrophobicContact CB-CG2 3.5Å; A151-I157 VanDerWaalsContact CB-CG2 3.5Å
152D88.3Confident75.3Confident71 Ų71113.2 Ų113.238%0.3854%0.536SS..PPolyproline II helixtrans-67.4152.3178.7-178.6-105.4000110.8H79 P150 H154 E155H79-D152 PolarHBondContact CE1-O 3.48Å; H79-D152 VanDerWaalsContact CE1-O 3.29Å; H79-D152 PolarHBondContact NE2-O 2.91Å; P150-D152 PolarHBondContact O-N 2.92Å; D152-H154 PolarHBondContact O-N 2.76Å; D152-H154 VanDerWaalsContact O-N 3.1Å; D152-H154 VanDerWaalsContact OD1-CB 3.32Å; D152-H154 WeakPolarHBondContact OD1-CB 3.5Å; D152-H154 IonicContact OD1-CE1 2.84Å; D152-H154 IonicContact OD1-CG 3.27Å; D152-H154 PolarHBondContact OD1-N 2.84Å; D152-H154 IonicContact OD1-ND1 3.29Å; D152-H154 PolarHBondContact OD1-ND1 2.96Å; D152-H154 IonicContact OD2-ND1 3.56Å; D152-E155 HydrophobicContact CB-CB 4.38Å; D152-E155 HydrophobicContact CB-CG 3.93Å; D152-E155 PolarHBondContact N-OE2 3.4Å; D152-E155 PolarHBondContact O-N 3.22Å
153K88.7Confident77.4Confident154 Ų154109.2 Ų109.267%0.6751%0.512SS*.THydrogen-bonded Turntrans-62.5-19.6-179.1-64.6-178.2-177.7177.30113.1A83A83-K153 WeakPolarHBondContact CB-O 3.24Å
154H92.8Very high79.6Confident42 Ų42103.6 Ų103.619%0.19450%0.499CS..THydrogen-bonded Turntrans-1020.3178.7-43.695.8000112.8M90 R127 D152M90-H154 WeakPolarHBondContact CE-NE2 3.42Å; R127-H154 VanDerWaalsContact NH1-C 3.35Å; R127-H154 VanDerWaalsContact NH1-CB 3.25Å; R127-H154 PolarHBondContact NH1-O 2.9Å; D152-H154 PolarHBondContact O-N 2.76Å; D152-H154 VanDerWaalsContact O-N 3.1Å; D152-H154 VanDerWaalsContact OD1-CB 3.32Å; D152-H154 WeakPolarHBondContact OD1-CB 3.5Å; D152-H154 IonicContact OD1-CE1 2.84Å; D152-H154 IonicContact OD1-CG 3.27Å; D152-H154 PolarHBondContact OD1-N 2.84Å; D152-H154 IonicContact OD1-ND1 3.29Å; D152-H154 PolarHBondContact OD1-ND1 2.96Å; D152-H154 IonicContact OD2-ND1 3.56Å
155E93.3Very high81.8Confident31 Ų3199.9 Ų99.915%0.14548%0.48CS..SBendtrans-87.9144.7173.9-75.7172.9165.200110.2H79 R149 D152H79-E155 PolarHBondContact CD2-O 2.93Å; H79-E155 PolarHBondContact NE2-O 2.8Å; R149-E155 IonicContact CZ-OE1 3.1Å; R149-E155 IonicContact NH2-OE1 3.85Å; R149-E155 PolarHBondContact NH2-OE1 3.42Å; D152-E155 HydrophobicContact CB-CB 4.38Å; D152-E155 HydrophobicContact CB-CG 3.93Å; D152-E155 PolarHBondContact N-OE2 3.4Å; D152-E155 PolarHBondContact O-N 3.22Å
156L96.4Very high84.3Confident29 Ų2991.9 Ų91.915%0.15245%0.449CS..  trans-88.6141.2168-66.1179.5000109.7N80 A83 R127 S131 V132N80-L156 HydrophobicContact CB-CD2 4.1Å; N80-L156 WeakPolarHBondContact OD1-CA 3.38Å; A83-L156 HydrophobicContact CB-CD2 3.9Å; R127-L156 HydrophobicContact CB-CD1 4.26Å; R127-L156 HydrophobicContact CB-CG 4.13Å; S131-L156 CarbonylContact C-O 3.52Å; S131-L156 WeakPolarHBondContact CA-O 3.45Å; S131-L156 VanDerWaalsContact CB-O 3.24Å; S131-L156 WeakPolarHBondContact CB-O 3.47Å; V132-L156 PolarHBondContact N-O 2.93Å
157I94.6Very high86.7Confident17 Ų1792.8 Ų92.89%0.08745%0.453CS..EExtended strand (participates in β ladder)trans-121.7152.1-179.461169.8000111.8M76 H79 N80 V132 V134 A151M76-I157 HydrophobicContact CB-CD1 4.44Å; M76-I157 HydrophobicContact CG-CD1 4.15Å; M76-I157 HydrophobicContact CG-CG1 3.87Å; H79-I157 HydrophobicContact CB-CD1 3.81Å; H79-I157 HydrophobicContact CB-CG1 4.26Å; N80-I157 PolarHBondContact ND2-O 2.61Å; N80-I157 PolarHBondContact OD1-N 3.02Å; N80-I157 PolarHBondContact OD1-O 3.49Å; V132-I157 HydrophobicContact CB-CG2 4.5Å; V132-I157 VanDerWaalsContact O-CA 3.29Å; V132-I157 WeakPolarHBondContact O-CA 3.47Å; V134-I157 HydrophobicContact CG1-CB 4.13Å; V134-I157 HydrophobicContact CG1-CG2 4.04Å; V134-I157 HydrophobicContact CG2-CB 4.41Å; V134-I157 HydrophobicContact CG2-CD1 4.24Å; A151-I157 HydrophobicContact CB-CG2 3.5Å; A151-I157 VanDerWaalsContact CB-CG2 3.5Å
158Y93.6Very high89Confident74 Ų7489.5 Ų89.529%0.2944%0.438SS..EExtended strand (participates in β ladder)trans-141.6154.1174.668.3-88.1000112.1V132 Q133 V134 N160V132-Y158 PolarHBondContact O-N 3.48Å; Q133-Y158 CarbonylContact C-O 3.59Å; Q133-Y158 VanDerWaalsContact CA-O 3.32Å; Q133-Y158 WeakPolarHBondContact CA-O 3.39Å; Q133-Y158 HydrophobicContact CB-CD2 4.19Å; Q133-Y158 HydrophobicContact CB-CE1 4.06Å; Q133-Y158 HydrophobicContact CB-CE2 3.57Å; Q133-Y158 HydrophobicContact CG-CD2 3.91Å; Q133-Y158 HydrophobicContact CG-CE2 3.49Å; Q133-Y158 VanDerWaalsContact CG-CE2 3.49Å; V134-Y158 PolarHBondContact N-O 3.13Å; Y158-N160 VanDerWaalsContact CD2-O 3.25Å; Y158-N160 WeakPolarHBondContact CD2-O 3.49Å
159L90.1Very high90.9Very high33 Ų3383.8 Ų83.817%0.17342%0.42CS..SBendtrans-92.1-50.9178.7-58.7174.8000111.8T72 L73 M76 Q133 V134T72-L159 HydrophobicContact CG2-CD1 3.78Å; T72-L159 HydrophobicContact CG2-CD2 3.69Å; T72-L159 HydrophobicContact CG2-CG 4.4Å; L73-L159 HydrophobicContact CD1-CD1 4.47Å; M76-L159 HydrophobicContact CB-CG 4.47Å; M76-L159 HydrophobicContact CG-CG 4.45Å; M76-L159 HydrophobicContact SD-CB 4.5Å; M76-L159 HydrophobicContact SD-CD1 4.25Å; M76-L159 HydrophobicContact SD-CG 3.77Å; Q133-L159 PolarHBondContact NE2-O 3.41Å; V134-L159 HydrophobicContact CG2-CD2 3.66Å
160N89.8Confident92.2Very high135 Ų13584.8 Ų84.872%0.72242%0.424SS*.SBendtrans-111.8142.1-170.6-63.1-30000110.5Y158Y158-N160 VanDerWaalsContact CD2-O 3.25Å; Y158-N160 WeakPolarHBondContact CD2-O 3.49Å
161K92.9Very high93.4Very high161 Ų16190.8 Ų90.870%0.743%0.431SS*.  trans-60.9144.6172.3-67.9-172.4176.7-174.60110
162S94.3Very high94Very high77 Ų7797.7 Ų97.754%0.53845%0.45SS..  trans-62.2143.1175.7-73.20000111
163P95.6Very high94.4Very high46 Ų4697.6 Ų97.630%0.29947%0.466SS..  trans-69.7174.3172.132.5-36.6000111.2Y165 I174P163-Y165 HydrophobicContact CG-CD1 4.47Å; P163-Y165 HydrophobicContact CG-CE1 3.87Å; P163-Y165 HydrophobicContact CG-CE2 4.39Å; P163-Y165 WeakPolarHBondContact O-CD2 3.45Å; P163-I174 HydrophobicContact CB-CD1 3.95Å; P163-I174 HydrophobicContact CG-CD1 3.64Å
164N94.6Very high94.8Very high110 Ų11091 Ų9159%0.58844%0.438SS*.  trans-75.9123.7167-174.7-39.6000109.4C166N164-C166 WeakPolarHBondContact OD1-CA 3.48Å; N164-C166 WeakPolarHBondContact OD1-CB 3.47Å; N164-C166 PolarHBondContact OD1-N 3.19Å; N164-C166 PolarHBondContact OD1-SG 2.79Å
165Y96.6Very high95Very high125 Ų12593.1 Ų93.149%0.4946%0.463SS..  trans-96.43.1-179-63.4-76.6000114.3P163 I174 G176P163-Y165 HydrophobicContact CG-CD1 4.47Å; P163-Y165 HydrophobicContact CG-CE1 3.87Å; P163-Y165 HydrophobicContact CG-CE2 4.39Å; P163-Y165 WeakPolarHBondContact O-CD2 3.45Å; Y165-I174 HydrophobicContact CD1-CD1 4.13Å; Y165-I174 HydrophobicContact CD1-CG1 4.04Å; Y165-I174 HydrophobicContact CD1-CG2 4.02Å; Y165-I174 HydrophobicContact CE1-CD1 4.31Å; Y165-I174 HydrophobicContact CE1-CG1 4.24Å; Y165-G176 WeakPolarHBondContact O-CA 3.23Å
166C96.6Very high95.1Very high28 Ų2892.3 Ų92.319%0.18946%0.463CS..SBendtrans-70.1-38.6-176.8-65.40000112.9N164 T177 C197 R199N164-C166 WeakPolarHBondContact OD1-CA 3.48Å; N164-C166 WeakPolarHBondContact OD1-CB 3.47Å; N164-C166 PolarHBondContact OD1-N 3.19Å; N164-C166 PolarHBondContact OD1-SG 2.79Å; C166-T177 PolarHBondContact O-N 3.18Å; C166-T177 VanDerWaalsContact O-N 3.13Å; C166-C197 HydrophobicContact CB-CB 3.65Å; C166-C197 WeakPolarHBondContact CB-SG 3.24Å; C166-C197 WeakPolarHBondContact SG-CB 3.39Å; C166-C197 CovalentContact SG-SG 2.02Å; C166-C197 PolarHBondContact SG-SG 2.71Å; C166-R199 PolarHBondContact O-NH1 2.87Å
167L96.2Very high95.2Very high119 Ų11991.3 Ų91.362%0.62346%0.458SS*.SBendtrans-103.5147.4-176.7-59179.1000110.2D169 I174L167-D169 PolarHBondContact O-N 3.43Å; L167-I174 VanDerWaalsContact O-CG2 3.25Å; L167-I174 WeakPolarHBondContact O-CG2 3.18Å
168E96.9Very high95.3Very high114 Ų114100 Ų10053%0.53349%0.489SS..EExtended strand (participates in β ladder)trans-66.7131174-171.3-174.916300109.9R170 I174E168-R170 HydrophobicContact CG-CG 4.33Å; E168-R170 VanDerWaalsContact OE1-CG 3.31Å; E168-R170 WeakPolarHBondContact OE1-CG 3.38Å; E168-R170 IonicContact OE1-CZ 3.61Å; E168-R170 IonicContact OE1-NE 2.8Å; E168-R170 PolarHBondContact OE1-NE 2.51Å; E168-R170 IonicContact OE1-NH2 3.51Å; E168-I174 CarbonylContact C-O 3.55Å; E168-I174 WeakPolarHBondContact CA-O 3.32Å; E168-I174 WeakPolarHBondContact CG-O 3.49Å
169D97.2Very high95.4Very high52 Ų5298.9 Ų98.928%0.27850%0.501SS..EExtended strand (participates in β ladder)trans-136.996.4170.1-179.3-12.6000108.2L167 R171 R172 G173 I174L167-D169 PolarHBondContact O-N 3.43Å; D169-R171 VanDerWaalsContact C-N 3.25Å; D169-R171 PolarHBondContact O-N 2.77Å; D169-R171 WeakPolarHBondContact OD1-CB 3.24Å; D169-R171 PolarHBondContact OD1-N 3.35Å; D169-R172 HydrophobicContact CB-CB 4.41Å; D169-R172 CarbonylContact O-C 3.58Å; D169-R172 PolarHBondContact O-N 2.02Å; D169-R172 PolarHBondContact OD1-N 2.92Å; D169-R172 VanDerWaalsContact OD2-CD 3.27Å; D169-R172 WeakPolarHBondContact OD2-CD 3.21Å; D169-R172 WeakPolarHBondContact OD2-CG 3.47Å; D169-R172 IonicContact OD2-NE 3.6Å; D169-G173 PolarHBondContact O-N 2.82Å; D169-I174 CarbonylContact C-O 3.59Å; D169-I174 HydrophobicContact CB-CB 4.13Å; D169-I174 HydrophobicContact CB-CD1 4.35Å; D169-I174 PolarHBondContact N-O 3.21Å; D169-I174 PolarHBondContact O-N 3.04Å
170R96Very high95.8Very high209 Ų209103.7 Ų103.779%0.78952%0.516SS*.G310 helixtrans-61.8-31.7-178.9-66.3-172.9176.5-172.9-0.7113.1E168 R172 G173E168-R170 HydrophobicContact CG-CG 4.33Å; E168-R170 VanDerWaalsContact OE1-CG 3.31Å; E168-R170 WeakPolarHBondContact OE1-CG 3.38Å; E168-R170 IonicContact OE1-CZ 3.61Å; E168-R170 IonicContact OE1-NE 2.8Å; E168-R170 PolarHBondContact OE1-NE 2.51Å; E168-R170 IonicContact OE1-NH2 3.51Å; R170-R172 PolarHBondContact O-N 3.35Å; R170-G173 PolarHBondContact O-N 2.73Å
171R96.3Very high96.2Very high247 Ų247105.8 Ų105.893%0.93251%0.514SS*.G310 helixtrans-67.9-30.3-179.9-65-178.5177.8172.7-0.3111.4D169D169-R171 VanDerWaalsContact C-N 3.25Å; D169-R171 PolarHBondContact O-N 2.77Å; D169-R171 WeakPolarHBondContact OD1-CB 3.24Å; D169-R171 PolarHBondContact OD1-N 3.35Å
172R93.7Very high96.4Very high177 Ų17798.6 Ų98.667%0.66848%0.484SS*.G310 helixtrans-1002.5177.7-64.7-175176.8174.5-0.4113.8D169 R170 I174D169-R172 HydrophobicContact CB-CB 4.41Å; D169-R172 CarbonylContact O-C 3.58Å; D169-R172 PolarHBondContact O-N 2.02Å; D169-R172 PolarHBondContact OD1-N 2.92Å; D169-R172 VanDerWaalsContact OD2-CD 3.27Å; D169-R172 WeakPolarHBondContact OD2-CD 3.21Å; D169-R172 WeakPolarHBondContact OD2-CG 3.47Å; D169-R172 IonicContact OD2-NE 3.6Å; R170-R172 PolarHBondContact O-N 3.35Å; R172-I174 VanDerWaalsContact C-N 3.26Å; R172-I174 HydrophobicContact CB-CD1 3.98Å; R172-I174 HydrophobicContact CB-CG1 4.01Å; R172-I174 PolarHBondContact O-N 3.21Å
173G95.8Very high96.5Very high70 Ų7098 Ų9872%0.72248%0.475SS*.THydrogen-bonded Turntrans67.323.6-176.500000114D169 R170D169-G173 PolarHBondContact O-N 2.82Å; R170-G173 PolarHBondContact O-N 2.73Å
174I97.5Very high96.5Very high15 Ų15103.2 Ų103.28%0.07749%0.489CS..EExtended strand (participates in β ladder)trans-89.9117.4178.8-59.7174.2000108.3P163 Y165 L167 E168 D169 R172 G176P163-I174 HydrophobicContact CB-CD1 3.95Å; P163-I174 HydrophobicContact CG-CD1 3.64Å; Y165-I174 HydrophobicContact CD1-CD1 4.13Å; Y165-I174 HydrophobicContact CD1-CG1 4.04Å; Y165-I174 HydrophobicContact CD1-CG2 4.02Å; Y165-I174 HydrophobicContact CE1-CD1 4.31Å; Y165-I174 HydrophobicContact CE1-CG1 4.24Å; L167-I174 VanDerWaalsContact O-CG2 3.25Å; L167-I174 WeakPolarHBondContact O-CG2 3.18Å; E168-I174 CarbonylContact C-O 3.55Å; E168-I174 WeakPolarHBondContact CA-O 3.32Å; E168-I174 WeakPolarHBondContact CG-O 3.49Å; D169-I174 CarbonylContact C-O 3.59Å; D169-I174 HydrophobicContact CB-CB 4.13Å; D169-I174 HydrophobicContact CB-CD1 4.35Å; D169-I174 PolarHBondContact N-O 3.21Å; D169-I174 PolarHBondContact O-N 3.04Å; R172-I174 VanDerWaalsContact C-N 3.26Å; R172-I174 HydrophobicContact CB-CD1 3.98Å; R172-I174 HydrophobicContact CB-CG1 4.01Å; R172-I174 PolarHBondContact O-N 3.21Å; I174-G176 VanDerWaalsContact C-N 3.34Å
175A96.8Very high96.5Very high87 Ų87104 Ų10472%0.71950%0.497SS*.EExtended strand (participates in β ladder)trans-78.8-13.7-179.300000114.3
176G96.8Very high96.5Very high14 Ų1499.3 Ų99.314%0.14448%0.483CS..  trans77.1-177.7-170.500000113.2Y165 I174Y165-G176 WeakPolarHBondContact O-CA 3.23Å; I174-G176 VanDerWaalsContact C-N 3.34Å
177T97.4Very high96.4Very high8 Ų8104.4 Ų104.45%0.04951%0.513CS..SBendtrans-109.7-1.7-179.260.50000115.2C166 R180 L195 R199 C236C166-T177 PolarHBondContact O-N 3.18Å; C166-T177 VanDerWaalsContact O-N 3.13Å; T177-R180 WeakPolarHBondContact O-CB 3.28Å; T177-R180 WeakPolarHBondContact O-CG 3.06Å; T177-R180 PolarHBondContact O-N 3.32Å; T177-L195 WeakPolarHBondContact CB-O 3.42Å; T177-L195 HydrophobicContact CG2-CD1 4.28Å; T177-L195 WeakPolarHBondContact CG2-O 3.41Å; T177-L195 PolarHBondContact OG1-O 2.76Å; T177-R199 PolarHBondContact OG1-NH2 3.23Å; T177-C236 VanDerWaalsContact O-CB 3.28Å; T177-C236 WeakPolarHBondContact O-CB 3.03Å
178R97.3Very high96.3Very high198 Ų19899.7 Ų99.775%0.74749%0.494SS*.THydrogen-bonded Turntrans-58.8137.5177.4-179.4164.3-169.4-146.2-5111.3R180 K237R178-R180 PolarHBondContact O-N 3.21Å; R178-K237 WeakPolarHBondContact CD-OXT 3.42Å; R178-K237 WeakPolarHBondContact CG-OXT 3.47Å; R178-K237 PolarHBondContact NE-OXT 3.31Å
179G96.3Very high96.1Very high52 Ų5299.3 Ų99.354%0.53650%0.501SS..THydrogen-bonded Turntrans75.3-5.1-179.500000115.4C236G179-C236 PolarHBondContact N-O 3.08Å
180R97.4Very high96Very high133 Ų133100.4 Ų100.450%0.50251%0.507SS..  trans-71.1137.7177.2-65.5-174.466-169.3-5.5110.9T177 R178 C182 L195 T235 C236T177-R180 WeakPolarHBondContact O-CB 3.28Å; T177-R180 WeakPolarHBondContact O-CG 3.06Å; T177-R180 PolarHBondContact O-N 3.32Å; R178-R180 PolarHBondContact O-N 3.21Å; R180-C182 PolarHBondContact O-N 3.44Å; R180-L195 HydrophobicContact CB-CD2 4.41Å; R180-T235 CarbonylContact O-C 3.54Å; R180-T235 VanDerWaalsContact O-CA 3.31Å; R180-T235 WeakPolarHBondContact O-CA 3.33Å; R180-C236 PolarHBondContact O-N 3.49Å
181R97.3Very high96.1Very high180 Ų18090.5 Ų90.568%0.67947%0.47SS*.EExtended strand (participates in β ladder)trans-64.8132.3170.5-174.1176.2176.3177.90.6109.7L195 M233 H234R181-L195 WeakPolarHBondContact O-CD2 3Å; R181-M233 HydrophobicContact CG-CG 4.34Å; R181-H234 VanDerWaalsContact CA-O 3.32Å; R181-H234 WeakPolarHBondContact CA-O 2.96Å
182C97.3Very high96.2Very high10 Ų1078.9 Ų78.97%0.06843%0.426CS..EExtended strand (participates in β ladder)trans-124.4159.2177.767.70000111.2R180 C192 L195 H234R180-C182 PolarHBondContact O-N 3.44Å; C182-C192 VanDerWaalsContact C-SG 3.55Å; C182-C192 HydrophobicContact CB-CB 3.83Å; C182-C192 WeakPolarHBondContact CB-SG 3.44Å; C182-C192 VanDerWaalsContact SG-CA 3.56Å; C182-C192 WeakPolarHBondContact SG-CB 3.36Å; C182-C192 CovalentContact SG-SG 2.04Å; C182-C192 PolarHBondContact SG-SG 2.95Å; C182-L195 HydrophobicContact CB-CB 4.42Å; C182-L195 HydrophobicContact CB-CD2 3.87Å; C182-H234 PolarHBondContact N-O 3.13Å
183N97Very high96.2Very high65 Ų6576.5 Ų76.535%0.34843%0.427SS..BIsolated β-bridgetrans-100.1117.4175.7-172.7-7.7000109.7T185 D190 G191 C192N183-T185 VanDerWaalsContact C-N 3.33Å; N183-T185 PolarHBondContact O-N 2.65Å; N183-T185 PolarHBondContact OD1-N 3.34Å; N183-T185 VanDerWaalsContact OD1-N 3.15Å; N183-T185 PolarHBondContact OD1-OG1 3.19Å; N183-D190 WeakPolarHBondContact CB-OD2 3.43Å; N183-D190 PolarHBondContact N-O 3.19Å; N183-D190 PolarHBondContact ND2-OD2 2.71Å; N183-G191 CarbonylContact O-C 3.5Å; N183-G191 VanDerWaalsContact O-CA 3.23Å; N183-G191 WeakPolarHBondContact O-CA 3.3Å; N183-C192 VanDerWaalsContact C-SG 3.52Å; N183-C192 PolarHBondContact O-N 3.44Å
184R95.7Very high96.2Very high155 Ų15578 Ų7859%0.58542%0.418SS*.SBendtrans-69.8-30.4-178.2176.8179.2167.8-168.6-3.2112.6Y201 H234R184-Y201 VanDerWaalsContact CD-OH 3.26Å; R184-Y201 WeakPolarHBondContact CD-OH 3.25Å; R184-Y201 WeakPolarHBondContact CG-OH 3.07Å; R184-Y201 PolarHBondContact NE-OH 2.96Å; R184-H234 VanDerWaalsContact CB-CD2 3.49Å; R184-H234 WeakPolarHBondContact CB-CD2 3.37Å
185T94.8Very high96.2Very high125 Ų12578.1 Ų78.177%0.76742%0.419SS*.SBendtrans-88.1-15.9-17760.60000113.1N183N183-T185 VanDerWaalsContact C-N 3.33Å; N183-T185 PolarHBondContact O-N 2.65Å; N183-T185 PolarHBondContact OD1-N 3.34Å; N183-T185 VanDerWaalsContact OD1-N 3.15Å; N183-T185 PolarHBondContact OD1-OG1 3.19Å
186S96.6Very high96.3Very high27 Ų2774 Ų7419%0.18938%0.384CS..  trans-77.7136.3179.4-177.20000111.7G188 D190 G191S186-G188 PolarHBondContact OG-N 2.91Å; S186-D190 WeakPolarHBondContact CB-OD1 3.49Å; S186-D190 WeakPolarHBondContact CB-OD2 3.36Å; S186-D190 VanDerWaalsContact OG-CG 3.29Å; S186-D190 PolarHBondContact OG-OD1 2.8Å; S186-D190 PolarHBondContact OG-OD2 2.89Å; S186-G191 VanDerWaalsContact O-CA 3.24Å; S186-G191 WeakPolarHBondContact O-CA 3.33Å
187T94.3Very high96.3Very high135 Ų13575.6 Ų75.683%0.82839%0.393SS*.  trans-91.1-6.5168.555.40000112.5
188G93.4Very high96.1Very high20 Ų2078.6 Ų78.621%0.20643%0.426CS..SBendtrans-82.6-169.9-178.400000114.2S186 D190 G191S186-G188 PolarHBondContact OG-N 2.91Å; G188-D190 PolarHBondContact O-N 3.14Å; G188-G191 WeakPolarHBondContact O-CA 3.48Å; G188-G191 PolarHBondContact O-N 3.02Å
189P93.4Very high96.1Very high107 Ų10773 Ų7370%0.69540%0.404SS*.THydrogen-bonded Turntrans-64-20.5-179.8-22.934.5000115G191P189-G191 VanDerWaalsContact C-N 3.3Å
190D95.7Very high96.1Very high75 Ų7572 Ų7240%0.40139%0.393SS..THydrogen-bonded Turntrans-82-11.8172.267.5-50.2000112.8N183 S186 G188N183-D190 WeakPolarHBondContact CB-OD2 3.43Å; N183-D190 PolarHBondContact N-O 3.19Å; N183-D190 PolarHBondContact ND2-OD2 2.71Å; S186-D190 WeakPolarHBondContact CB-OD1 3.49Å; S186-D190 WeakPolarHBondContact CB-OD2 3.36Å; S186-D190 VanDerWaalsContact OG-CG 3.29Å; S186-D190 PolarHBondContact OG-OD1 2.8Å; S186-D190 PolarHBondContact OG-OD2 2.89Å; G188-D190 PolarHBondContact O-N 3.14Å
191G97.4Very high96.1Very high0 Ų068.7 Ų68.70%038%0.381CS..BIsolated β-bridgetrans-62.1138.3178.300000112.8N183 S186 G188 P189 N193 L194 L195N183-G191 CarbonylContact O-C 3.5Å; N183-G191 VanDerWaalsContact O-CA 3.23Å; N183-G191 WeakPolarHBondContact O-CA 3.3Å; S186-G191 VanDerWaalsContact O-CA 3.24Å; S186-G191 WeakPolarHBondContact O-CA 3.33Å; G188-G191 WeakPolarHBondContact O-CA 3.48Å; G188-G191 PolarHBondContact O-N 3.02Å; P189-G191 VanDerWaalsContact C-N 3.3Å; G191-N193 PolarHBondContact O-N 2.78Å; G191-N193 VanDerWaalsContact O-N 3.15Å; G191-L194 PolarHBondContact O-N 2.94Å; G191-L194 VanDerWaalsContact O-N 3.17Å; G191-L195 VanDerWaalsContact O-CB 3.25Å; G191-L195 WeakPolarHBondContact O-CB 3.32Å; G191-L195 PolarHBondContact O-N 3.1Å
192C97.4Very high96.1Very high4 Ų463.4 Ų63.43%0.02737%0.366CS..Hα-helixtrans-58.5-30.7-179-64.20000113.5C182 N183 C196 Y201C182-C192 VanDerWaalsContact C-SG 3.55Å; C182-C192 HydrophobicContact CB-CB 3.83Å; C182-C192 WeakPolarHBondContact CB-SG 3.44Å; C182-C192 VanDerWaalsContact SG-CA 3.56Å; C182-C192 WeakPolarHBondContact SG-CB 3.36Å; C182-C192 CovalentContact SG-SG 2.04Å; C182-C192 PolarHBondContact SG-SG 2.95Å; N183-C192 VanDerWaalsContact C-SG 3.52Å; N183-C192 PolarHBondContact O-N 3.44Å; C192-C196 WeakPolarHBondContact O-CB 3.14Å; C192-C196 PolarHBondContact O-N 3.29Å; C192-C196 VanDerWaalsContact O-N 3.14Å; C192-C196 PolarHBondContact O-SG 3.37Å; C192-Y201 HydrophobicContact CB-CD1 3.46Å; C192-Y201 VanDerWaalsContact CB-CD1 3.46Å; C192-Y201 HydrophobicContact CB-CE1 3.7Å; C192-Y201 HydrophobicContact CB-CG 4.14Å
193N95.3Very high96Very high126 Ų12666.2 Ų66.267%0.67438%0.383SS*.Hα-helixtrans-65.3-45178.1-67.3-19.4000112.1G191 G198G191-N193 PolarHBondContact O-N 2.78Å; G191-N193 VanDerWaalsContact O-N 3.15Å; N193-G198 PolarHBondContact O-N 2.65Å
194L95.8Very high95.9Very high102 Ų10267.3 Ų67.353%0.53439%0.386SS..Hα-helixtrans-81.6-49.7-179.9-83.973.8000111.2G191 C196 C197G191-L194 PolarHBondContact O-N 2.94Å; G191-L194 VanDerWaalsContact O-N 3.17Å; L194-C196 VanDerWaalsContact C-N 3.33Å; L194-C196 PolarHBondContact O-N 2.84Å; L194-C197 PolarHBondContact O-N 3.1Å; L194-C197 VanDerWaalsContact O-N 3.09Å
195L97.5Very high95.8Very high18 Ų1864.2 Ų64.29%0.09439%0.385CS..Hα-helixtrans-64.2-37.5-174-172.457.9000112.5T177 R180 R181 C182 G191 C197T177-L195 WeakPolarHBondContact CB-O 3.42Å; T177-L195 HydrophobicContact CG2-CD1 4.28Å; T177-L195 WeakPolarHBondContact CG2-O 3.41Å; T177-L195 PolarHBondContact OG1-O 2.76Å; R180-L195 HydrophobicContact CB-CD2 4.41Å; R181-L195 WeakPolarHBondContact O-CD2 3Å; C182-L195 HydrophobicContact CB-CB 4.42Å; C182-L195 HydrophobicContact CB-CD2 3.87Å; G191-L195 VanDerWaalsContact O-CB 3.25Å; G191-L195 WeakPolarHBondContact O-CB 3.32Å; G191-L195 PolarHBondContact O-N 3.1Å; L195-C197 VanDerWaalsContact C-N 3.29Å
196C97.7Very high95.8Very high0 Ų060.7 Ų60.70%036%0.363CS..THydrogen-bonded Turntrans-882.5178.8-47.80000113.1C192 L194 G198 R199 G200 C236C192-C196 WeakPolarHBondContact O-CB 3.14Å; C192-C196 PolarHBondContact O-N 3.29Å; C192-C196 VanDerWaalsContact O-N 3.14Å; C192-C196 PolarHBondContact O-SG 3.37Å; L194-C196 VanDerWaalsContact C-N 3.33Å; L194-C196 PolarHBondContact O-N 2.84Å; C196-G198 PolarHBondContact O-N 3.43Å; C196-R199 WeakPolarHBondContact O-CB 3.5Å; C196-R199 PolarHBondContact O-N 3.45Å; C196-G200 WeakPolarHBondContact CB-O 3.46Å; C196-C236 WeakPolarHBondContact CA-SG 3.29Å; C196-C236 HydrophobicContact CB-CB 3.6Å; C196-C236 WeakPolarHBondContact CB-SG 3.37Å; C196-C236 PolarHBondContact N-SG 3.16Å; C196-C236 WeakPolarHBondContact SG-CA 3.16Å; C196-C236 WeakPolarHBondContact SG-CB 3.25Å; C196-C236 CovalentContact SG-SG 2.04Å; C196-C236 PolarHBondContact SG-SG 2.95Å
197C96.6Very high95.7Very high48 Ų4866.6 Ų66.632%0.32438%0.381SS..THydrogen-bonded Turntrans51.840.8174.9-48.90000113.4C166 L194 L195 R199C166-C197 HydrophobicContact CB-CB 3.65Å; C166-C197 WeakPolarHBondContact CB-SG 3.24Å; C166-C197 WeakPolarHBondContact SG-CB 3.39Å; C166-C197 CovalentContact SG-SG 2.02Å; C166-C197 PolarHBondContact SG-SG 2.71Å; L194-C197 PolarHBondContact O-N 3.1Å; L194-C197 VanDerWaalsContact O-N 3.09Å; L195-C197 VanDerWaalsContact C-N 3.29Å; C197-R199 VanDerWaalsContact C-N 3.27Å; C197-R199 PolarHBondContact O-N 2.9Å
198G94.9Very high95.7Very high71 Ų7163.4 Ų63.473%0.73236%0.358SS*.THydrogen-bonded Turntrans76.5-3-179.800000116.4N193 C196 G200N193-G198 PolarHBondContact O-N 2.65Å; C196-G198 PolarHBondContact O-N 3.43Å; G198-G200 PolarHBondContact O-N 3.24Å
199R96.1Very high95.8Very high81 Ų8165.6 Ų65.631%0.30637%0.365SS..SBendtrans-73.6-9.8178.6-59.6-170.1-58.7-84.2-2.3114.2C166 T177 C196 C197 K237C166-R199 PolarHBondContact O-NH1 2.87Å; T177-R199 PolarHBondContact OG1-NH2 3.23Å; C196-R199 WeakPolarHBondContact O-CB 3.5Å; C196-R199 PolarHBondContact O-N 3.45Å; C197-R199 VanDerWaalsContact C-N 3.27Å; C197-R199 PolarHBondContact O-N 2.9Å; R199-K237 PolarHBondContact NE-O 3.32Å; R199-K237 PolarHBondContact NH2-O 2.92Å
200G95.8Very high95.9Very high29 Ų2965.7 Ų65.730%0.29936%0.356SS..  trans78.4-174.3-171.400000113.2C196 G198 K237C196-G200 WeakPolarHBondContact CB-O 3.46Å; G198-G200 PolarHBondContact O-N 3.24Å; G200-K237 PolarHBondContact O-N 3.32Å; G200-K237 VanDerWaalsContact O-N 3.13Å
201Y97.4Very high95.9Very high64 Ų6471.9 Ų71.925%0.25137%0.374SS..EExtended strand (participates in β ladder)trans-141.3155.3-175.653.1-86.8000110.9R184 C192 H234 T235 K237R184-Y201 VanDerWaalsContact CD-OH 3.26Å; R184-Y201 WeakPolarHBondContact CD-OH 3.25Å; R184-Y201 WeakPolarHBondContact CG-OH 3.07Å; R184-Y201 PolarHBondContact NE-OH 2.96Å; C192-Y201 HydrophobicContact CB-CD1 3.46Å; C192-Y201 VanDerWaalsContact CB-CD1 3.46Å; C192-Y201 HydrophobicContact CB-CE1 3.7Å; C192-Y201 HydrophobicContact CB-CG 4.14Å; Y201-H234 HydrophobicContact CD2-CB 3.75Å; Y201-H234 AromaticContact CD2-CG 3.91Å; Y201-H234 AromaticContact CD2-ND1 3.73Å; Y201-H234 HydrophobicContact CE2-CB 4.29Å; Y201-H234 AromaticContact CE2-CG 3.97Å; Y201-H234 AromaticContact CE2-ND1 3.61Å; Y201-H234 HydrophobicContact CG-CB 4.36Å; Y201-T235 CarbonylContact C-O 3.48Å; Y201-T235 VanDerWaalsContact CA-O 3.24Å; Y201-T235 WeakPolarHBondContact CA-O 3.41Å; Y201-T235 WeakPolarHBondContact CB-O 3.4Å; Y201-K237 WeakPolarHBondContact O-CE 3.5Å
202N97.2Very high95.8Very high69 Ų6972.9 Ų72.937%0.36938%0.381SS..EExtended strand (participates in β ladder)trans-89.7151.4166.5-62.7-31.9000109.2H234 T235 K237N202-H234 CarbonylContact O-C 3.51Å; N202-H234 VanDerWaalsContact O-CA 3.26Å; N202-H234 WeakPolarHBondContact O-CA 3.31Å; N202-T235 PolarHBondContact N-O 3Å; N202-T235 PolarHBondContact O-N 3.19Å; N202-K237 WeakPolarHBondContact OD1-CE 3.41Å
203T96.6Very high95.8Very high69 Ų6978.1 Ų78.142%0.42341%0.405SS..EExtended strand (participates in β ladder)trans-119126.6174.9-58.30000108.6D232 M233 H234T203-D232 HydrophobicContact CG2-CB 3.96Å; T203-M233 WeakPolarHBondContact CA-O 3.35Å; T203-H234 PolarHBondContact OG1-CE1 3.21Å; T203-H234 PolarHBondContact OG1-ND1 3.5Å
204H93.9Very high95.8Very high89 Ų8975.4 Ų75.441%0.41240%0.395SS..EExtended strand (participates in β ladder)trans-123.4129.8177.9-58.8-77.6000108.6V206 M233H204-V206 PolarHBondContact O-N 3.17Å; H204-M233 PolarHBondContact N-O 3.09Å; H204-M233 PolarHBondContact O-N 3.36Å
205V95Very high95.8Very high90 Ų9077.5 Ų77.555%0.54540%0.4SS..EExtended strand (participates in β ladder)trans-79.8119173.1-1680000108M230V205-M230 HydrophobicContact CG1-CB 3.79Å; V205-M230 HydrophobicContact CG1-CE 3.65Å
206V94.2Very high95.8Very high50 Ų5083.3 Ų83.330%0.30342%0.424SS..EExtended strand (participates in β ladder)trans-112.5134.7178.6-670000110.6H204 N208 N231 M233H204-V206 PolarHBondContact O-N 3.17Å; V206-N208 PolarHBondContact O-N 3.39Å; V206-N231 VanDerWaalsContact CG2-O 3.28Å; V206-N231 WeakPolarHBondContact CG2-O 3.49Å; V206-N231 PolarHBondContact N-O 2.81Å; V206-N231 PolarHBondContact O-N 3.1Å; V206-M233 HydrophobicContact CG1-CB 4.07Å; V206-M233 HydrophobicContact CG1-CE 3.71Å; V206-M233 HydrophobicContact CG1-SD 4.29Å; V206-M233 HydrophobicContact CG2-CB 3.82Å
207R95Very high95.6Very high152 Ų15285.7 Ų85.757%0.57444%0.439SS*.EExtended strand (participates in β ladder)trans-76.4112.4172.5-177.3175.6172.2-169.5-1.7108.9I209 E228 M230R207-I209 HydrophobicContact CG-CG1 4.23Å; R207-E228 IonicContact CZ-OE1 3.54Å; R207-E228 IonicContact CZ-OE2 3Å; R207-E228 VanDerWaalsContact NE-CD 3.32Å; R207-E228 IonicContact NE-OE1 2.79Å; R207-E228 IonicContact NE-OE2 3.19Å; R207-E228 PolarHBondContact NE-OE2 2.82Å; R207-E228 IonicContact NH2-OE1 3.89Å; R207-E228 PolarHBondContact NH2-OE1 3.43Å; R207-E228 IonicContact NH2-OE2 3.13Å; R207-E228 PolarHBondContact NH2-OE2 2.03Å; R207-M230 HydrophobicContact CB-SD 3.81Å; R207-M230 HydrophobicContact CG-SD 4.14Å
208N93.8Very high95.4Very high67 Ų6794.3 Ų94.336%0.35847%0.465SS..EExtended strand (participates in β ladder)trans-99.1125.6174.7-17319.4000109.5V206 E228 S229V206-N208 PolarHBondContact O-N 3.39Å; N208-E228 WeakPolarHBondContact O-CA 3.42Å; N208-S229 PolarHBondContact N-O 3.31Å; N208-S229 PolarHBondContact O-N 2.89Å
209I95.2Very high94.9Very high67 Ų6795.1 Ų95.134%0.34446%0.458SS..EExtended strand (participates in β ladder)trans-113.9117-179.8-53.6179.4000107.9R207 R226 C227 E228R207-I209 HydrophobicContact CG-CG1 4.23Å; I209-R226 HydrophobicContact CG2-CB 4.26Å; I209-C227 WeakPolarHBondContact CA-O 3.11Å; I209-E228 HydrophobicContact CG1-CG 4.12Å; I209-E228 HydrophobicContact CG2-CG 4.44Å
210Q95.7Very high94.6Very high108 Ų10896.5 Ų96.551%0.50548%0.479SS..EExtended strand (participates in β ladder)trans-129.2156.9179.562.3-178-18.900111.6C227Q210-C227 PolarHBondContact N-O 3.25Å; Q210-C227 PolarHBondContact O-N 2.79Å
211R96.3Very high94.5Very high205 Ų205101.5 Ų101.577%0.77449%0.49SS*.EExtended strand (participates in β ladder)trans-75.3129.5169.2-70.6-177.2179.3176.7-0.3108.7C224 R225R211-C224 HydrophobicContact CB-CB 3.88Å; R211-C224 HydrophobicContact CG-CB 4.21Å; R211-R225 WeakPolarHBondContact CA-O 3.46Å
212C95.4Very high94.5Very high22 Ų22102.8 Ų102.815%0.14950%0.504CS..EExtended strand (participates in β ladder)trans-138170.9-176.962.40000109.4C214 R225 C227C212-C214 PolarHBondContact O-N 2.9Å; C212-R225 PolarHBondContact N-O 3.15Å; C212-R225 PolarHBondContact O-N 3.41Å; C212-R225 PolarHBondContact SG-O 2.98Å; C212-C227 HydrophobicContact CB-CB 3.6Å; C212-C227 WeakPolarHBondContact CB-SG 3.06Å; C212-C227 WeakPolarHBondContact SG-CB 3.35Å; C212-C227 PolarHBondContact SG-N 3.12Å; C212-C227 CovalentContact SG-SG 1.99Å; C212-C227 PolarHBondContact SG-SG 2.82Å
213E95.8Very high94.4Very high114 Ų114105 Ų10553%0.53351%0.512SS..EExtended strand (participates in β ladder)trans49.939.4174.8-59.6-179-170.600112.7K215 R225E213-K215 PolarHBondContact O-N 2.87Å; E213-R225 VanDerWaalsContact OE2-CD 3.31Å; E213-R225 WeakPolarHBondContact OE2-CD 3.42Å; E213-R225 IonicContact OE2-CZ 2.73Å; E213-R225 IonicContact OE2-NE 3.82Å; E213-R225 IonicContact OE2-NH1 2.7Å; E213-R225 PolarHBondContact OE2-NH1 3.38Å
214C96.5Very high94.5Very high68 Ų68103.2 Ų103.246%0.45950%0.502SS..EExtended strand (participates in β ladder)trans-68121.9-177.5-66.40000110.2C212 V222 H223 C224C212-C214 PolarHBondContact O-N 2.9Å; C214-V222 HydrophobicContact CB-CG1 3.74Å; C214-H223 CarbonylContact C-O 3.59Å; C214-H223 WeakPolarHBondContact CA-O 3.19Å; C214-C224 HydrophobicContact CB-CB 4.12Å; C214-C224 WeakPolarHBondContact CB-SG 3.27Å; C214-C224 WeakPolarHBondContact SG-CB 3.1Å; C214-C224 CovalentContact SG-SG 2.04Å; C214-C224 PolarHBondContact SG-SG 3.28Å
215K95.8Very high94.7Very high147 Ų147106.2 Ų106.264%0.63951%0.51SS*.EExtended strand (participates in β ladder)trans-112.2129.7176.3-65.8-178.4177.1-179.10109.4E213 V217 H223E213-K215 PolarHBondContact O-N 2.87Å; K215-V217 PolarHBondContact O-N 3.18Å; K215-H223 PolarHBondContact N-O 2.94Å; K215-H223 PolarHBondContact O-N 2.9Å
216F96.1Very high94.7Very high139 Ų139111 Ų11161%0.6152%0.518SS*.EExtended strand (participates in β ladder)trans-74.2122.8168.8-178.9-104.3000108.7V222F216-V222 HydrophobicContact CD2-CG2 4.27Å
217V94.3Very high94.8Very high51 Ų51110.6 Ų110.631%0.30952%0.517SS..EExtended strand (participates in β ladder)trans-96.2120.3171.5-177.50000106.8K215 C219 Y221 H223K215-V217 PolarHBondContact O-N 3.18Å; V217-C219 PolarHBondContact O-N 2.9Å; V217-Y221 HydrophobicContact CB-CD2 4.29Å; V217-Y221 HydrophobicContact CB-CE1 4.14Å; V217-Y221 HydrophobicContact CB-CE2 3.92Å; V217-Y221 HydrophobicContact CG1-CE1 4.01Å; V217-Y221 HydrophobicContact CG1-CE2 4.35Å; V217-Y221 HydrophobicContact CG2-CD2 4.31Å; V217-Y221 HydrophobicContact CG2-CE2 3.76Å; V217-Y221 PolarHBondContact N-O 2.05Å; V217-H223 HydrophobicContact CG2-CB 4.3Å
218W92.4Very high94.9Very high229 Ų229108.3 Ų108.387%0.86751%0.512SS*.THydrogen-bonded Turntrans-59.1124179.3-170.187.1000109.6
219C84.9Confident94.9Very high88 Ų88106.9 Ų106.960%0.59551%0.508SS*.THydrogen-bonded Turntrans69.579.7-169-160.90000116.1V217V217-C219 PolarHBondContact O-N 2.9Å
220C90.1Very high94.9Very high110 Ų110109.6 Ų109.674%0.74352%0.521SS*.THydrogen-bonded Turncis-154.247.1-3.9-79.70000107.8
221Y93.3Very high94.8Very high134 Ų134107.7 Ų107.753%0.52551%0.514SS..EExtended strand (participates in β ladder)trans-134.8154.8-173.163.8-87.9000112.3V217 H223V217-Y221 HydrophobicContact CB-CD2 4.29Å; V217-Y221 HydrophobicContact CB-CE1 4.14Å; V217-Y221 HydrophobicContact CB-CE2 3.92Å; V217-Y221 HydrophobicContact CG1-CE1 4.01Å; V217-Y221 HydrophobicContact CG1-CE2 4.35Å; V217-Y221 HydrophobicContact CG2-CD2 4.31Å; V217-Y221 HydrophobicContact CG2-CE2 3.76Å; V217-Y221 PolarHBondContact N-O 2.05Å; Y221-H223 HydrophobicContact CD2-CB 4.47Å; Y221-H223 HydrophobicContact CE2-CB 4.32Å
222V96.3Very high94.7Very high90 Ų90102.2 Ų102.255%0.54550%0.5SS..EExtended strand (participates in β ladder)trans-99.8120174.8-179.20000107.7C214 F216C214-V222 HydrophobicContact CB-CG1 3.74Å; F216-V222 HydrophobicContact CD2-CG2 4.27Å
223H96.8Very high94.7Very high115 Ų115103.7 Ų103.753%0.53251%0.505SS..EExtended strand (participates in β ladder)trans-98.2121.9171.7-172.273.4000109.2C214 K215 V217 Y221C214-H223 CarbonylContact C-O 3.59Å; C214-H223 WeakPolarHBondContact CA-O 3.19Å; K215-H223 PolarHBondContact N-O 2.94Å; K215-H223 PolarHBondContact O-N 2.9Å; V217-H223 HydrophobicContact CG2-CB 4.3Å; Y221-H223 HydrophobicContact CD2-CB 4.47Å; Y221-H223 HydrophobicContact CE2-CB 4.32Å
224C97.6Very high94.8Very high32 Ų3299.2 Ų99.222%0.21648%0.484CS..EExtended strand (participates in β ladder)trans-120.7146.5177.5-54.90000110.2R211 C214R211-C224 HydrophobicContact CB-CB 3.88Å; R211-C224 HydrophobicContact CG-CB 4.21Å; C214-C224 HydrophobicContact CB-CB 4.12Å; C214-C224 WeakPolarHBondContact CB-SG 3.27Å; C214-C224 WeakPolarHBondContact SG-CB 3.1Å; C214-C224 CovalentContact SG-SG 2.04Å; C214-C224 PolarHBondContact SG-SG 3.28Å
225R97.4Very high94.8Very high153 Ų15397 Ų9758%0.57747%0.469SS*.EExtended strand (participates in β ladder)trans-82.8159.8167-68.5177.8176.7173.1-10.4110.1R211 C212 E213R211-R225 WeakPolarHBondContact CA-O 3.46Å; C212-R225 PolarHBondContact N-O 3.15Å; C212-R225 PolarHBondContact O-N 3.41Å; C212-R225 PolarHBondContact SG-O 2.98Å; E213-R225 VanDerWaalsContact OE2-CD 3.31Å; E213-R225 WeakPolarHBondContact OE2-CD 3.42Å; E213-R225 IonicContact OE2-CZ 2.73Å; E213-R225 IonicContact OE2-NE 3.82Å; E213-R225 IonicContact OE2-NH1 2.7Å; E213-R225 PolarHBondContact OE2-NH1 3.38Å
226R96.9Very high94.9Very high191 Ų19190.1 Ų90.172%0.72144%0.439SS*.EExtended strand (participates in β ladder)trans-93.4111.4168.1-63.5-178.777.6177.13.5107.4I209I209-R226 HydrophobicContact CG2-CB 4.26Å
227C96.3Very high94.9Very high41 Ų4188.9 Ų88.928%0.27743%0.433SS..EExtended strand (participates in β ladder)trans-96.3144.3171.6-72.60000109.5I209 Q210 C212I209-C227 WeakPolarHBondContact CA-O 3.11Å; Q210-C227 PolarHBondContact N-O 3.25Å; Q210-C227 PolarHBondContact O-N 2.79Å; C212-C227 HydrophobicContact CB-CB 3.6Å; C212-C227 WeakPolarHBondContact CB-SG 3.06Å; C212-C227 WeakPolarHBondContact SG-CB 3.35Å; C212-C227 PolarHBondContact SG-N 3.12Å; C212-C227 CovalentContact SG-SG 1.99Å; C212-C227 PolarHBondContact SG-SG 2.82Å
228E95.8Very high95Very high103 Ų10390.8 Ų90.848%0.48144%0.439SS..EExtended strand (participates in β ladder)trans-117.8132178-49.9-171.5168.500108.6R207 N208 I209R207-E228 IonicContact CZ-OE1 3.54Å; R207-E228 IonicContact CZ-OE2 3Å; R207-E228 VanDerWaalsContact NE-CD 3.32Å; R207-E228 IonicContact NE-OE1 2.79Å; R207-E228 IonicContact NE-OE2 3.19Å; R207-E228 PolarHBondContact NE-OE2 2.82Å; R207-E228 IonicContact NH2-OE1 3.89Å; R207-E228 PolarHBondContact NH2-OE1 3.43Å; R207-E228 IonicContact NH2-OE2 3.13Å; R207-E228 PolarHBondContact NH2-OE2 2.03Å; N208-E228 WeakPolarHBondContact O-CA 3.42Å; I209-E228 HydrophobicContact CG1-CG 4.12Å; I209-E228 HydrophobicContact CG2-CG 4.44Å
229S94.8Very high95.1Very high37 Ų3783.5 Ų83.526%0.25942%0.417SS..EExtended strand (participates in β ladder)trans-129.1142.217373.90000109.6N208 N231N208-S229 PolarHBondContact N-O 3.31Å; N208-S229 PolarHBondContact O-N 2.89Å; S229-N231 PolarHBondContact OG-OD1 2.88Å
230M94.3Very high95.7Very high125 Ų12583.2 Ų83.262%0.61641%0.407SS*.EExtended strand (participates in β ladder)trans-90.8115172-60.5-58.8-75.700107.4V205 R207V205-M230 HydrophobicContact CG1-CB 3.79Å; V205-M230 HydrophobicContact CG1-CE 3.65Å; R207-M230 HydrophobicContact CB-SD 3.81Å; R207-M230 HydrophobicContact CG-SD 4.14Å
231N93.1Very high96Very high67 Ų6781.6 Ų81.636%0.35839%0.387SS..EExtended strand (participates in β ladder)trans-116.8140.7-178.4-67.68.4000109.8V206 S229 M233V206-N231 VanDerWaalsContact CG2-O 3.28Å; V206-N231 WeakPolarHBondContact CG2-O 3.49Å; V206-N231 PolarHBondContact N-O 2.81Å; V206-N231 PolarHBondContact O-N 3.1Å; S229-N231 PolarHBondContact OG-OD1 2.88Å; N231-M233 PolarHBondContact O-N 3.29Å
232D94.4Very high96.2Very high90 Ų9078.4 Ų78.448%0.48138%0.379SS..EExtended strand (participates in β ladder)trans-72.8127.4171.4-71.7-12.6000110.4T203T203-D232 HydrophobicContact CG2-CB 3.96Å
233M95.6Very high96.1Very high53 Ų5377.6 Ų77.626%0.26137%0.368SS..EExtended strand (participates in β ladder)trans-111.4122171.5-177.8171.571.900109.6R181 T203 H204 V206 N231 T235R181-M233 HydrophobicContact CG-CG 4.34Å; T203-M233 WeakPolarHBondContact CA-O 3.35Å; H204-M233 PolarHBondContact N-O 3.09Å; H204-M233 PolarHBondContact O-N 3.36Å; V206-M233 HydrophobicContact CG1-CB 4.07Å; V206-M233 HydrophobicContact CG1-CE 3.71Å; V206-M233 HydrophobicContact CG1-SD 4.29Å; V206-M233 HydrophobicContact CG2-CB 3.82Å; N231-M233 PolarHBondContact O-N 3.29Å; M233-T235 HydrophobicContact CG-CG2 4.49Å
234H97.5Very high96.1Very high21 Ų2174.9 Ų74.910%0.09736%0.356CS..EExtended strand (participates in β ladder)trans-102.2132.4179.3-51.5-62000111.2R181 C182 R184 Y201 N202 T203R181-H234 VanDerWaalsContact CA-O 3.32Å; R181-H234 WeakPolarHBondContact CA-O 2.96Å; C182-H234 PolarHBondContact N-O 3.13Å; R184-H234 VanDerWaalsContact CB-CD2 3.49Å; R184-H234 WeakPolarHBondContact CB-CD2 3.37Å; Y201-H234 HydrophobicContact CD2-CB 3.75Å; Y201-H234 AromaticContact CD2-CG 3.91Å; Y201-H234 AromaticContact CD2-ND1 3.73Å; Y201-H234 HydrophobicContact CE2-CB 4.29Å; Y201-H234 AromaticContact CE2-CG 3.97Å; Y201-H234 AromaticContact CE2-ND1 3.61Å; Y201-H234 HydrophobicContact CG-CB 4.36Å; N202-H234 CarbonylContact O-C 3.51Å; N202-H234 VanDerWaalsContact O-CA 3.26Å; N202-H234 WeakPolarHBondContact O-CA 3.31Å; T203-H234 PolarHBondContact OG1-CE1 3.21Å; T203-H234 PolarHBondContact OG1-ND1 3.5Å
235T97.8Very high96Very high21 Ų2178.2 Ų78.213%0.12937%0.367CS..EExtended strand (participates in β ladder)trans-133135.617954.70000111.3R180 Y201 N202 M233R180-T235 CarbonylContact O-C 3.54Å; R180-T235 VanDerWaalsContact O-CA 3.31Å; R180-T235 WeakPolarHBondContact O-CA 3.33Å; Y201-T235 CarbonylContact C-O 3.48Å; Y201-T235 VanDerWaalsContact CA-O 3.24Å; Y201-T235 WeakPolarHBondContact CA-O 3.41Å; Y201-T235 WeakPolarHBondContact CB-O 3.4Å; N202-T235 PolarHBondContact N-O 3Å; N202-T235 PolarHBondContact O-N 3.19Å; M233-T235 HydrophobicContact CG-CG2 4.49Å
236C97.8Very high95.9Very high3 Ų372 Ų722%0.0235%0.349CS..EExtended strand (participates in β ladder)trans-62.8141.1-177.4-62.70000113.4T177 G179 R180 C196T177-C236 VanDerWaalsContact O-CB 3.28Å; T177-C236 WeakPolarHBondContact O-CB 3.03Å; G179-C236 PolarHBondContact N-O 3.08Å; R180-C236 PolarHBondContact O-N 3.49Å; C196-C236 WeakPolarHBondContact CA-SG 3.29Å; C196-C236 HydrophobicContact CB-CB 3.6Å; C196-C236 WeakPolarHBondContact CB-SG 3.37Å; C196-C236 PolarHBondContact N-SG 3.16Å; C196-C236 WeakPolarHBondContact SG-CA 3.16Å; C196-C236 WeakPolarHBondContact SG-CB 3.25Å; C196-C236 CovalentContact SG-SG 2.04Å; C196-C236 PolarHBondContact SG-SG 2.95Å
237K96.3Very high95.8Very high112 Ų11261.2 Ų61.249%0.48732%0.315SS..  trans-720175.6-69.6-178.8179.9179.90113.3R178 R199 G200 Y201 N202R178-K237 WeakPolarHBondContact CD-OXT 3.42Å; R178-K237 WeakPolarHBondContact CG-OXT 3.47Å; R178-K237 PolarHBondContact NE-OXT 3.31Å; R199-K237 PolarHBondContact NE-O 3.32Å; R199-K237 PolarHBondContact NH2-O 2.92Å; G200-K237 PolarHBondContact O-N 3.32Å; G200-K237 VanDerWaalsContact O-N 3.13Å; Y201-K237 WeakPolarHBondContact O-CE 3.5Å; N202-K237 WeakPolarHBondContact OD1-CE 3.41Å

Retrieved 237 of 237 residues in 71.9 ms (Link to these results)

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