A0A087Y4I9_POEFO Loading...

Drebrin-like b

AlphaFold DB , UniProt , Accession A0A087Y4I9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 480 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
1M71.9Confident92.7Very high171 Ų17169.5 Ų69.584%0.84242%0.423SS*.  0142.70-75.8-174.2-81.600107.7I96M1-I96 HydrophobicContact CE-CD1 3.86Å; M1-I96 HydrophobicContact CE-CG1 4.34Å
2A87.8Confident93.1Very high81 Ų8163.8 Ų63.867%0.66939%0.388SS*.  trans-96.6164.817900000112N38A2-N38 WeakPolarHBondContact O-CB 3.28Å; A2-N38 PolarHBondContact O-ND2 3.04Å
3V95.2Very high93.4Very high21 Ų2162.4 Ų62.413%0.12738%0.38CS..  trans-83.4144.8166.366.60000110.2L5 Y33 I40 H100 A103V3-L5 HydrophobicContact CG1-CD2 4.44Å; V3-L5 HydrophobicContact CG1-CG 4.3Å; V3-L5 HydrophobicContact CG2-CD2 4.1Å; V3-Y33 HydrophobicContact CG2-CE1 4.23Å; V3-I40 HydrophobicContact CG2-CD1 4.03Å; V3-I40 HydrophobicContact CG2-CG1 3.39Å; V3-H100 HydrophobicContact CB-CB 3.83Å; V3-H100 HydrophobicContact CG1-CB 4.24Å; V3-H100 HydrophobicContact CG2-CB 4.32Å; V3-A103 HydrophobicContact CG1-CB 3.54Å
4N95.1Very high93.7Very high49 Ų4961 Ų6126%0.26238%0.378SS..BIsolated β-bridgetrans-105.6114.6175.3178.89.8000110.3S6 K7 N38 D39 I40N4-S6 PolarHBondContact OD1-N 3.13Å; N4-S6 PolarHBondContact OD1-OG 3.3Å; N4-K7 PolarHBondContact OD1-N 3.09Å; N4-N38 PolarHBondContact N-O 3.43Å; N4-D39 WeakPolarHBondContact CB-OD1 3.42Å; N4-D39 PolarHBondContact ND2-OD1 3.27Å; N4-I40 PolarHBondContact O-N 3.38Å
5L94.9Very high94Very high34 Ų3457 Ų5718%0.17835%0.354CS..  trans-105.5-11.9177.3-56.9-178.2000112.8V3 G9 L12 I40 M104 F107V3-L5 HydrophobicContact CG1-CD2 4.44Å; V3-L5 HydrophobicContact CG1-CG 4.3Å; V3-L5 HydrophobicContact CG2-CD2 4.1Å; L5-G9 WeakPolarHBondContact O-CA 3.45Å; L5-G9 PolarHBondContact O-N 3.2Å; L5-L12 HydrophobicContact CD2-CD1 4.36Å; L5-I40 HydrophobicContact CD2-CB 3.91Å; L5-I40 HydrophobicContact CD2-CG1 3.83Å; L5-I40 HydrophobicContact CD2-CG2 4.49Å; L5-M104 HydrophobicContact CD2-CE 3.65Å; L5-F107 HydrophobicContact CD1-CB 3.67Å; L5-F107 HydrophobicContact CD1-CD2 4.1Å; L5-F107 HydrophobicContact CD1-CG 3.87Å
6S94Very high94.2Very high98 Ų9855.3 Ų55.369%0.68534%0.339SS*.SBendtrans-80.5-39.6-171.364.20000112.7N4 N8 G9N4-S6 PolarHBondContact OD1-N 3.13Å; N4-S6 PolarHBondContact OD1-OG 3.3Å; S6-N8 VanDerWaalsContact C-N 3.32Å; S6-N8 PolarHBondContact O-N 3.29Å; S6-G9 PolarHBondContact O-N 3.4Å
7K94.8Very high94.4Very high99 Ų9960.1 Ų60.143%0.4335%0.354SS..THydrogen-bonded Turntrans-51.4-46.9-177.2-178.1-170.3178.5-165.30113.3N4 E34 D39N4-K7 PolarHBondContact OD1-N 3.09Å; K7-E34 IonicContact NZ-OE1 2.72Å; K7-E34 PolarHBondContact NZ-OE1 2.87Å; K7-E34 IonicContact NZ-OE2 2.66Å; K7-E34 PolarHBondContact NZ-OE2 3.46Å; K7-D39 HydrophobicContact CD-CB 3.85Å; K7-D39 VanDerWaalsContact CD-CG 3.47Å; K7-D39 WeakPolarHBondContact CD-OD2 3.11Å; K7-D39 WeakPolarHBondContact CE-OD2 3.4Å; K7-D39 IonicContact NZ-OD2 3.28Å; K7-D39 PolarHBondContact NZ-OD2 3.34Å
8N96.1Very high94.5Very high43 Ų4360.2 Ų60.223%0.2335%0.35CS..THydrogen-bonded Turntrans-106.811.4178.2-59.8-50.2000112.1S6 P10 A11 L12 E34 I40S6-N8 VanDerWaalsContact C-N 3.32Å; S6-N8 PolarHBondContact O-N 3.29Å; N8-P10 VanDerWaalsContact C-CD 3.49Å; N8-A11 PolarHBondContact O-N 3.12Å; N8-L12 HydrophobicContact CB-CD1 4.48Å; N8-L12 HydrophobicContact CB-CG 4.31Å; N8-L12 WeakPolarHBondContact O-CG 3.47Å; N8-L12 PolarHBondContact O-N 3.46Å; N8-L12 VanDerWaalsContact O-N 3.09Å; N8-E34 PolarHBondContact ND2-OE2 2.88Å; N8-I40 WeakPolarHBondContact CB-O 3.35Å; N8-I40 PolarHBondContact ND2-O 3.01Å
9G95.3Very high94.7Very high12 Ų1257.1 Ų57.112%0.12433%0.332CS..Hα-helixtrans-50.4-42.3-168.400000115.8L5 S6 A11 L12 T13L5-G9 WeakPolarHBondContact O-CA 3.45Å; L5-G9 PolarHBondContact O-N 3.2Å; S6-G9 PolarHBondContact O-N 3.4Å; G9-A11 PolarHBondContact O-N 3.01Å; G9-L12 PolarHBondContact O-N 3.22Å; G9-T13 VanDerWaalsContact O-CB 3.27Å; G9-T13 WeakPolarHBondContact O-CB 3.41Å; G9-T13 PolarHBondContact O-N 3.49Å; G9-T13 PolarHBondContact O-OG1 3.13Å
10P97.1Very high94.7Very high105 Ų10556.8 Ų56.868%0.68233%0.331SS*.Hα-helixtrans-59.7-41.7175.6-26.836.4000113.4N8 A14N8-P10 VanDerWaalsContact C-CD 3.49Å; P10-A14 WeakPolarHBondContact O-CB 3.21Å; P10-A14 PolarHBondContact O-N 3.43Å
11A97.3Very high94.7Very high51 Ų5157.8 Ų57.842%0.42134%0.335SS..Hα-helixtrans-72.3-40.3178.900000112N8 G9 T13 A14 A15N8-A11 PolarHBondContact O-N 3.12Å; G9-A11 PolarHBondContact O-N 3.01Å; A11-T13 VanDerWaalsContact C-N 3.34Å; A11-A14 PolarHBondContact O-N 3.09Å; A11-A15 PolarHBondContact O-N 2.94Å; A11-A15 VanDerWaalsContact O-N 3.14Å
12L98Very high95.6Very high1 Ų156.1 Ų56.11%0.00533%0.325CS..Hα-helixtrans-60.3-45.2173.8-60178.4000111.2L5 N8 G9 Y16 F31 I40 F107L5-L12 HydrophobicContact CD2-CD1 4.36Å; N8-L12 HydrophobicContact CB-CD1 4.48Å; N8-L12 HydrophobicContact CB-CG 4.31Å; N8-L12 WeakPolarHBondContact O-CG 3.47Å; N8-L12 PolarHBondContact O-N 3.46Å; N8-L12 VanDerWaalsContact O-N 3.09Å; G9-L12 PolarHBondContact O-N 3.22Å; L12-Y16 WeakPolarHBondContact O-CB 3.41Å; L12-Y16 PolarHBondContact O-N 3.32Å; L12-F31 HydrophobicContact CD2-CD1 3.44Å; L12-F31 VanDerWaalsContact CD2-CD1 3.44Å; L12-F31 HydrophobicContact CD2-CE1 3.83Å; L12-F31 HydrophobicContact CD2-CG 4.43Å; L12-I40 HydrophobicContact CD1-CB 4.27Å; L12-I40 HydrophobicContact CD1-CG2 4.11Å; L12-I40 HydrophobicContact CD2-CG2 3.92Å; L12-F107 HydrophobicContact CB-CE1 3.77Å; L12-F107 HydrophobicContact CB-CZ 3.6Å
13T97.3Very high95.8Very high46 Ų4661.1 Ų61.128%0.28233%0.332SS..Hα-helixtrans-71.5-33.6-178.2-53.10000111.9G9 A11 K17G9-T13 VanDerWaalsContact O-CB 3.27Å; G9-T13 WeakPolarHBondContact O-CB 3.41Å; G9-T13 PolarHBondContact O-N 3.49Å; G9-T13 PolarHBondContact O-OG1 3.13Å; A11-T13 VanDerWaalsContact C-N 3.34Å; T13-K17 HydrophobicContact CG2-CD 4.21Å; T13-K17 WeakPolarHBondContact O-CB 3.36Å; T13-K17 VanDerWaalsContact O-CG 3.25Å; T13-K17 WeakPolarHBondContact O-CG 3.32Å; T13-K17 PolarHBondContact O-N 2.99Å
14A97.7Very high95.8Very high43 Ų4361.2 Ų61.236%0.35533%0.333SS..Hα-helixtrans-62.8-56173.600000110.9P10 A11 Y16 K17 E18P10-A14 WeakPolarHBondContact O-CB 3.21Å; P10-A14 PolarHBondContact O-N 3.43Å; A11-A14 PolarHBondContact O-N 3.09Å; A14-Y16 PolarHBondContact O-N 3.3Å; A14-K17 PolarHBondContact O-N 3.35Å; A14-K17 VanDerWaalsContact O-N 3.09Å; A14-E18 WeakPolarHBondContact O-CG 3.27Å; A14-E18 PolarHBondContact O-N 3.18Å
15A97.7Very high95.8Very high1 Ų164.9 Ų64.91%0.00835%0.353CS..Hα-helixtrans-60.3-41.8-179.400000112.9A11 K17 E18 V19 A29 F31 L42 K45A11-A15 PolarHBondContact O-N 2.94Å; A11-A15 VanDerWaalsContact O-N 3.14Å; A15-K17 PolarHBondContact O-N 2.88Å; A15-E18 PolarHBondContact O-N 3.05Å; A15-V19 PolarHBondContact O-N 2.97Å; A15-V19 VanDerWaalsContact O-N 3.16Å; A15-A29 HydrophobicContact CB-CB 4.08Å; A15-F31 HydrophobicContact CB-CE1 4.23Å; A15-F31 HydrophobicContact CB-CZ 4.32Å; A15-L42 HydrophobicContact CB-CD1 3.62Å; A15-L42 HydrophobicContact CB-CD2 4.04Å; A15-L42 HydrophobicContact CB-CG 4.47Å; A15-K45 HydrophobicContact CB-CD 4.36Å
16Y97.7Very high95.9Very high30 Ų3064.3 Ų64.312%0.11835%0.351CS..Hα-helixtrans-60.7-43.4173.7164.9-102.3000112.4L12 A14 E18 V19 V20 F66 L108 K109L12-Y16 WeakPolarHBondContact O-CB 3.41Å; L12-Y16 PolarHBondContact O-N 3.32Å; A14-Y16 PolarHBondContact O-N 3.3Å; Y16-E18 VanDerWaalsContact C-N 3.34Å; Y16-E18 PolarHBondContact O-N 3.1Å; Y16-V19 PolarHBondContact O-N 3.42Å; Y16-V20 HydrophobicContact CD2-CG2 4.2Å; Y16-V20 HydrophobicContact CE2-CG2 3.79Å; Y16-V20 WeakPolarHBondContact O-CG2 3.46Å; Y16-V20 PolarHBondContact O-N 3.03Å; Y16-V20 VanDerWaalsContact O-N 3.17Å; Y16-F66 AromaticContact CD2-CD1 3.98Å; Y16-F66 HydrophobicContact CD2-CD1 3.98Å; Y16-F66 AromaticContact CD2-CE1 3.89Å; Y16-F66 HydrophobicContact CD2-CE1 3.89Å; Y16-F66 HydrophobicContact CD2-CG 4.46Å; Y16-F66 HydrophobicContact CD2-CZ 4.27Å; Y16-F66 HydrophobicContact CE2-CD1 4.27Å; Y16-F66 AromaticContact CE2-CE1 3.73Å; Y16-F66 HydrophobicContact CE2-CE1 3.73Å; Y16-F66 HydrophobicContact CE2-CE2 4.31Å; Y16-F66 AromaticContact CE2-CZ 3.73Å; Y16-F66 HydrophobicContact CE2-CZ 3.73Å; Y16-L108 HydrophobicContact CD2-CD2 3.62Å; Y16-L108 HydrophobicContact CE2-CD2 4.4Å; Y16-L108 HydrophobicContact CG-CD2 4.09Å; Y16-K109 VanDerWaalsContact OH-CG 3.31Å; Y16-K109 WeakPolarHBondContact OH-CG 3.47Å; Y16-K109 PolarHBondContact OH-O 3.25Å
17K97Very high96Very high136 Ų13661 Ų6159%0.59133%0.326SS*.Hα-helixtrans-64.7-37.2176.2-78.4177.4176.6-175.30112.6T13 A14 A15 V19 V20 D21T13-K17 HydrophobicContact CG2-CD 4.21Å; T13-K17 WeakPolarHBondContact O-CB 3.36Å; T13-K17 VanDerWaalsContact O-CG 3.25Å; T13-K17 WeakPolarHBondContact O-CG 3.32Å; T13-K17 PolarHBondContact O-N 2.99Å; A14-K17 PolarHBondContact O-N 3.35Å; A14-K17 VanDerWaalsContact O-N 3.09Å; A15-K17 PolarHBondContact O-N 2.88Å; K17-V19 VanDerWaalsContact C-N 3.33Å; K17-V19 PolarHBondContact O-N 3.46Å; K17-V20 PolarHBondContact O-N 2.97Å; K17-D21 PolarHBondContact O-N 3Å
18E97Very high96.2Very high63 Ų6356.3 Ų56.329%0.29431%0.305SS..Hα-helixtrans-66.1-32.5177.1-71178.2-107.500112.8A14 A15 Y16 S24 T26 K45A14-E18 WeakPolarHBondContact O-CG 3.27Å; A14-E18 PolarHBondContact O-N 3.18Å; A15-E18 PolarHBondContact O-N 3.05Å; Y16-E18 VanDerWaalsContact C-N 3.34Å; Y16-E18 PolarHBondContact O-N 3.1Å; E18-S24 WeakPolarHBondContact O-CB 3.19Å; E18-S24 PolarHBondContact O-OG 3.08Å; E18-T26 HydrophobicContact CB-CG2 4.34Å; E18-K45 IonicContact OE1-NZ 2.76Å; E18-K45 PolarHBondContact OE1-NZ 3.48Å; E18-K45 IonicContact OE2-NZ 2.73Å; E18-K45 PolarHBondContact OE2-NZ 3.33Å
19V97.1Very high96.3Very high0 Ų054.3 Ų54.30%029%0.294CS..Hα-helixtrans-72.8-34.1172.7176.80000111.8A15 Y16 K17 T26 W28 A29 F66 R68 Y79A15-V19 PolarHBondContact O-N 2.97Å; A15-V19 VanDerWaalsContact O-N 3.16Å; Y16-V19 PolarHBondContact O-N 3.42Å; K17-V19 VanDerWaalsContact C-N 3.33Å; K17-V19 PolarHBondContact O-N 3.46Å; V19-T26 HydrophobicContact CG2-CG2 4.02Å; V19-W28 VanDerWaalsContact CG2-C 3.48Å; V19-A29 HydrophobicContact CG2-CB 3.82Å; V19-F66 HydrophobicContact CB-CD1 4.26Å; V19-F66 HydrophobicContact CG1-CD1 3.79Å; V19-F66 HydrophobicContact CG1-CE1 4.19Å; V19-R68 HydrophobicContact CG1-CB 4.05Å; V19-R68 PolarHBondContact O-NH1 3.33Å; V19-Y79 HydrophobicContact CG1-CD1 4.45Å; V19-Y79 HydrophobicContact CG1-CE1 4.45Å
20V95.9Very high96.4Very high51 Ų5153.7 Ų53.731%0.30929%0.289SS..Hα-helixtrans-83.1-21.6-177.8175.40000113.4Y16 K17 E22 F66 Y79Y16-V20 HydrophobicContact CD2-CG2 4.2Å; Y16-V20 HydrophobicContact CE2-CG2 3.79Å; Y16-V20 WeakPolarHBondContact O-CG2 3.46Å; Y16-V20 PolarHBondContact O-N 3.03Å; Y16-V20 VanDerWaalsContact O-N 3.17Å; K17-V20 PolarHBondContact O-N 2.97Å; V20-E22 PolarHBondContact O-N 3.42Å; V20-F66 HydrophobicContact CG2-CE1 3.76Å; V20-F66 HydrophobicContact CG2-CZ 4.4Å; V20-Y79 HydrophobicContact CB-CE1 4.49Å; V20-Y79 HydrophobicContact CG2-CD1 4.46Å; V20-Y79 HydrophobicContact CG2-CE1 4.13Å; V20-Y79 PolarHBondContact O-OH 3.27Å
21D94.8Very high96.5Very high79 Ų7948.8 Ų48.842%0.42226%0.256SS..  trans-77.3111172.8-168.8-10.7000110.6K17 K23 S24 R68K17-D21 PolarHBondContact O-N 3Å; D21-K23 PolarHBondContact O-N 3.2Å; D21-K23 WeakPolarHBondContact OD1-CB 3.37Å; D21-K23 PolarHBondContact OD1-N 3.26Å; D21-S24 WeakPolarHBondContact O-CB 3.33Å; D21-S24 PolarHBondContact O-N 3.05Å; D21-R68 PolarHBondContact O-NH1 3.41Å
22E89.6Confident96.5Very high135 Ų13546.7 Ų46.763%0.63124%0.238SC*.THydrogen-bonded Turntrans-60.2-15.6177.3-63179.8168.800113.7V20 P77V20-E22 PolarHBondContact O-N 3.42Å; E22-P77 WeakPolarHBondContact OE1-CG 3.49Å
23K92.9Very high96.5Very high186 Ų18647.3 Ų47.381%0.80924%0.241SC*.THydrogen-bonded Turntrans-88.9-8.2175.4-58.8166.1-174.4164.90113.6D21D21-K23 PolarHBondContact O-N 3.2Å; D21-K23 WeakPolarHBondContact OD1-CB 3.37Å; D21-K23 PolarHBondContact OD1-N 3.26Å
24S95.2Very high96.3Very high23 Ų2348.6 Ų48.616%0.16124%0.243CC..SBendtrans-91.7131.5175167.10000109.1E18 D21 T26 R68E18-S24 WeakPolarHBondContact O-CB 3.19Å; E18-S24 PolarHBondContact O-OG 3.08Å; D21-S24 WeakPolarHBondContact O-CB 3.33Å; D21-S24 PolarHBondContact O-N 3.05Å; S24-T26 PolarHBondContact O-N 3.02Å; S24-T26 WeakPolarHBondContact OG-CB 3.39Å; S24-T26 PolarHBondContact OG-N 3.15Å; S24-R68 PolarHBondContact O-NH1 3.31Å; S24-R68 PolarHBondContact O-NH2 3.49Å
25D94.6Very high96Very high127 Ų12749.6 Ų49.668%0.67926%0.258SS*.SBendtrans-66-29.1176.4-55.1-62000111.7N27 D47D25-N27 PolarHBondContact O-N 3.09Å; D25-D47 HydrophobicContact CB-CB 4.34Å; D25-D47 VanDerWaalsContact O-CB 3.29Å; D25-D47 WeakPolarHBondContact O-CB 3.44Å
26T96.9Very high95.4Very high22 Ų2257.3 Ų57.314%0.13530%0.299CS..  trans-56.2120.6175.2-58.80000110E18 V19 S24 K45 G46E18-T26 HydrophobicContact CB-CG2 4.34Å; V19-T26 HydrophobicContact CG2-CG2 4.02Å; S24-T26 PolarHBondContact O-N 3.02Å; S24-T26 WeakPolarHBondContact OG-CB 3.39Å; S24-T26 PolarHBondContact OG-N 3.15Å; T26-K45 HydrophobicContact CG2-CB 4.02Å; T26-K45 HydrophobicContact CG2-CD 4.19Å; T26-G46 CarbonylContact C-O 3.57Å; T26-G46 WeakPolarHBondContact CA-O 3.15Å
27N96.7Very high95.3Very high29 Ų2957.6 Ų57.616%0.15531%0.306CS..  trans-124.6-2.4-176.760.140.8000113.5D25 G46 D47 G49 C67 R68D25-N27 PolarHBondContact O-N 3.09Å; N27-G46 PolarHBondContact N-O 3.01Å; N27-D47 PolarHBondContact ND2-O 2.89Å; N27-G49 WeakPolarHBondContact OD1-CA 3.44Å; N27-G49 PolarHBondContact OD1-N 3.15Å; N27-C67 CarbonylContact O-C 3.51Å; N27-C67 WeakPolarHBondContact O-CA 3.24Å; N27-R68 HydrophobicContact CB-CB 4.37Å; N27-R68 PolarHBondContact O-N 3.05Å
28W98Very high95.2Very high0 Ų052.4 Ų52.40%028%0.284CS..EExtended strand (participates in β ladder)trans-142.3155.2164.668-90.5000113.1V19 L30 E44 K45 G46 G49 E52 L53 E56 F66 C67V19-W28 VanDerWaalsContact CG2-C 3.48Å; W28-L30 HydrophobicContact CE3-CB 4.07Å; W28-L30 HydrophobicContact CZ3-CB 3.64Å; W28-E44 HydrophobicContact CH2-CB 3.64Å; W28-E44 HydrophobicContact CH2-CG 3.71Å; W28-E44 HydrophobicContact CZ3-CB 3.88Å; W28-E44 HydrophobicContact CZ3-CG 4.43Å; W28-K45 VanDerWaalsContact O-CA 3.26Å; W28-K45 WeakPolarHBondContact O-CA 3.38Å; W28-K45 VanDerWaalsContact O-CB 3.31Å; W28-K45 WeakPolarHBondContact O-CB 3.41Å; W28-G46 PolarHBondContact N-O 2.92Å; W28-G46 PolarHBondContact O-N 3.05Å; W28-G46 VanDerWaalsContact O-N 3.12Å; W28-G49 VanDerWaalsContact CD1-O 3.23Å; W28-E52 HydrophobicContact CZ2-CB 4.42Å; W28-E52 HydrophobicContact CZ2-CG 3.72Å; W28-E52 PolarHBondContact NE1-OE2 2.93Å; W28-L53 HydrophobicContact CB-CB 4.32Å; W28-L53 HydrophobicContact CB-CD1 4.41Å; W28-L53 HydrophobicContact CB-CD2 4.26Å; W28-L53 HydrophobicContact CD2-CB 3.92Å; W28-L53 HydrophobicContact CD2-CD1 3.94Å; W28-L53 HydrophobicContact CD2-CG 4.48Å; W28-L53 HydrophobicContact CE3-CB 4.32Å; W28-L53 HydrophobicContact CE3-CD1 3.47Å; W28-L53 VanDerWaalsContact CE3-CD1 3.47Å; W28-L53 HydrophobicContact CE3-CG 4.46Å; W28-L53 HydrophobicContact CG-CB 3.91Å; W28-L53 HydrophobicContact CG-CD1 4.35Å; W28-L53 HydrophobicContact CZ3-CD1 4.04Å; W28-E56 HydrophobicContact CH2-CB 4.46Å; W28-E56 HydrophobicContact CH2-CG 4.37Å; W28-F66 CarbonylContact C-O 3.53Å; W28-F66 WeakPolarHBondContact CA-O 3.49Å; W28-C67 HydrophobicContact CB-CB 3.7Å
29A98.3Very high95.2Very high0 Ų050.8 Ų50.80%028%0.277CS..EExtended strand (participates in β ladder)trans-140.8137.4169.700000110.4A15 V19 F31 L42 K45 A65 F66A15-A29 HydrophobicContact CB-CB 4.08Å; V19-A29 HydrophobicContact CG2-CB 3.82Å; A29-F31 HydrophobicContact CB-CE1 4.46Å; A29-F31 HydrophobicContact CB-CE2 4.01Å; A29-F31 HydrophobicContact CB-CZ 3.73Å; A29-L42 HydrophobicContact CB-CD1 4.36Å; A29-K45 HydrophobicContact CB-CB 4.11Å; A29-A65 WeakPolarHBondContact O-CA 3.37Å; A29-F66 PolarHBondContact N-O 3.09Å; A29-F66 PolarHBondContact O-N 3.42Å
30L98.4Very high95.2Very high0 Ų050.8 Ų50.80%028%0.278CS..EExtended strand (participates in β ladder)trans-116131.1-177.3-176.863.4000110.8W28 V43 E44 L53 E56 L57 M63 A65W28-L30 HydrophobicContact CE3-CB 4.07Å; W28-L30 HydrophobicContact CZ3-CB 3.64Å; L30-V43 HydrophobicContact CB-CB 4.3Å; L30-V43 HydrophobicContact CD2-CB 4.31Å; L30-V43 HydrophobicContact CD2-CG1 4.33Å; L30-V43 HydrophobicContact CG-CB 4.17Å; L30-V43 HydrophobicContact CG-CG2 4.2Å; L30-V43 WeakPolarHBondContact O-CB 3.45Å; L30-V43 PolarHBondContact O-N 3.47Å; L30-E44 PolarHBondContact N-O 3.41Å; L30-L53 HydrophobicContact CB-CD1 4.31Å; L30-L53 HydrophobicContact CD1-CD1 4.32Å; L30-E56 HydrophobicContact CD2-CB 3.87Å; L30-E56 WeakPolarHBondContact CD2-O 3.5Å; L30-L57 HydrophobicContact CD1-CD2 3.85Å; L30-M63 HydrophobicContact CD1-CB 3.93Å; L30-M63 HydrophobicContact CD2-CE 3.84Å; L30-M63 HydrophobicContact CG-CE 4.38Å; L30-A65 HydrophobicContact CD1-CB 3.92Å
31F98.3Very high95.3Very high2 Ų253.6 Ų53.61%0.00928%0.283CS..EExtended strand (participates in β ladder)trans-122144.1-176-51-76000111.1L12 A15 A29 I40 R41 L42 M63 Y64 F66 L108L12-F31 HydrophobicContact CD2-CD1 3.44Å; L12-F31 VanDerWaalsContact CD2-CD1 3.44Å; L12-F31 HydrophobicContact CD2-CE1 3.83Å; L12-F31 HydrophobicContact CD2-CG 4.43Å; A15-F31 HydrophobicContact CB-CE1 4.23Å; A15-F31 HydrophobicContact CB-CZ 4.32Å; A29-F31 HydrophobicContact CB-CE1 4.46Å; A29-F31 HydrophobicContact CB-CE2 4.01Å; A29-F31 HydrophobicContact CB-CZ 3.73Å; F31-I40 HydrophobicContact CB-CG2 3.91Å; F31-R41 WeakPolarHBondContact CA-O 3.49Å; F31-L42 HydrophobicContact CD1-CB 4.48Å; F31-L42 HydrophobicContact CD1-CD1 3.94Å; F31-L42 HydrophobicContact CE1-CD1 3.62Å; F31-L42 HydrophobicContact CZ-CD1 4.4Å; F31-M63 CarbonylContact O-C 3.55Å; F31-M63 WeakPolarHBondContact O-CA 3.24Å; F31-M63 WeakPolarHBondContact O-CB 3.34Å; F31-Y64 WeakPolarHBondContact CD2-O 3.35Å; F31-Y64 PolarHBondContact N-O 3.03Å; F31-Y64 PolarHBondContact O-N 3.37Å; F31-F66 HydrophobicContact CE2-CB 4.35Å; F31-L108 HydrophobicContact CD2-CD1 4.08Å; F31-L108 HydrophobicContact CD2-CD2 4.44Å; F31-L108 HydrophobicContact CE2-CD1 4.11Å; F31-L108 HydrophobicContact CE2-CD2 3.76Å; F31-L108 HydrophobicContact CZ-CD2 4.25Å
32T97.7Very high95.5Very high6 Ų652 Ų524%0.03727%0.274CS..EExtended strand (participates in β ladder)trans-145.2167.5179.4-167.60000111.6I40 R41 V43 V62T32-I40 WeakPolarHBondContact O-CA 3.41Å; T32-R41 HydrophobicContact CG2-CG 4.07Å; T32-R41 PolarHBondContact N-O 3.4Å; T32-R41 WeakPolarHBondContact O-CG 3.49Å; T32-R41 PolarHBondContact O-N 2.85Å; T32-V43 HydrophobicContact CG2-CG2 3.29Å; T32-V62 PolarHBondContact OG1-O 3.11Å
33Y97.1Very high95.8Very high15 Ų1547.4 Ų47.46%0.05926%0.255CS..EExtended strand (participates in β ladder)trans-70.5143.4170.3-63.6-83.9000113.3V3 G35 D39 I40 V62 Y64 C97 H100V3-Y33 HydrophobicContact CG2-CE1 4.23Å; Y33-G35 PolarHBondContact O-N 2.84Å; Y33-G35 VanDerWaalsContact O-N 3.15Å; Y33-D39 CarbonylContact C-O 3.1Å; Y33-D39 WeakPolarHBondContact CA-O 3.45Å; Y33-I40 HydrophobicContact CD1-CD1 3.61Å; Y33-I40 HydrophobicContact CD2-CD1 4.21Å; Y33-I40 HydrophobicContact CE1-CD1 3.48Å; Y33-I40 VanDerWaalsContact CE1-CD1 3.48Å; Y33-I40 HydrophobicContact CE1-CG1 4.34Å; Y33-I40 HydrophobicContact CE2-CD1 4.04Å; Y33-I40 HydrophobicContact CG-CD1 4Å; Y33-V62 HydrophobicContact CD2-CB 4.17Å; Y33-V62 HydrophobicContact CE2-CB 3.87Å; Y33-V62 HydrophobicContact CE2-CG1 3.92Å; Y33-Y64 AromaticContact CE2-CE2 3.81Å; Y33-Y64 HydrophobicContact CE2-CE2 3.81Å; Y33-Y64 AromaticContact CZ-CE2 3.9Å; Y33-Y64 PolarHBondContact OH-OH 2.93Å; Y33-C97 HydrophobicContact CE2-CB 4.39Å; Y33-H100 AromaticContact CE1-ND1 3.52Å; Y33-H100 AromaticContact CZ-ND1 3.55Å; Y33-H100 WeakPolarHBondContact OH-CB 3.4Å; Y33-H100 PolarHBondContact OH-ND1 3.03Å
34E94.9Very high96Very high72 Ų7243.2 Ų43.234%0.33624%0.238SC..  trans-81.389.1173-164.3-177134.600110.2K7 N8 N36 S37 D39K7-E34 IonicContact NZ-OE1 2.72Å; K7-E34 PolarHBondContact NZ-OE1 2.87Å; K7-E34 IonicContact NZ-OE2 2.66Å; K7-E34 PolarHBondContact NZ-OE2 3.46Å; N8-E34 PolarHBondContact ND2-OE2 2.88Å; E34-N36 PolarHBondContact O-N 3.05Å; E34-S37 WeakPolarHBondContact O-CB 3.15Å; E34-S37 PolarHBondContact O-N 2.84Å; E34-S37 PolarHBondContact O-OG 2.92Å; E34-D39 HydrophobicContact CB-CB 4.18Å; E34-D39 PolarHBondContact N-O 2.89Å
35G89.4Confident96.2Very high64 Ų6445.8 Ų45.866%0.6625%0.247SC*.THydrogen-bonded Turntrans64-121.9-178.600000112.1Y33Y33-G35 PolarHBondContact O-N 2.84Å; Y33-G35 VanDerWaalsContact O-N 3.15Å
36N87.1Confident96.3Very high163 Ų16340.1 Ų40.187%0.87222%0.218SC*.THydrogen-bonded Turntrans-95.1-2.2179.3-73.670.6000113.8E34E34-N36 PolarHBondContact O-N 3.05Å
37S94.2Very high96.2Very high37 Ų3744.1 Ų44.126%0.25924%0.239SC..SBendtrans-72.9176.9178.875.50000112E34 D39 R93E34-S37 WeakPolarHBondContact O-CB 3.15Å; E34-S37 PolarHBondContact O-N 2.84Å; E34-S37 PolarHBondContact O-OG 2.92Å; S37-D39 WeakPolarHBondContact OG-CB 3.26Å; S37-D39 PolarHBondContact OG-N 3.46Å; S37-D39 VanDerWaalsContact OG-N 3.1Å; S37-D39 PolarHBondContact OG-OD2 2.88Å; S37-R93 PolarHBondContact O-NH2 3.15Å
38N95.5Very high96.1Very high26 Ų2644.5 Ų44.514%0.13925%0.249CC..SBendtrans-98.29.4167-74.36.9000112.4A2 N4 R93 H100A2-N38 WeakPolarHBondContact O-CB 3.28Å; A2-N38 PolarHBondContact O-ND2 3.04Å; N4-N38 PolarHBondContact N-O 3.43Å; N38-R93 PolarHBondContact OD1-NH1 2.89Å; N38-H100 PolarHBondContact ND2-CE1 2.87Å; N38-H100 PolarHBondContact ND2-NE2 3.33Å
39D96.6Very high95.9Very high29 Ų2945.3 Ų45.316%0.15526%0.258CS..BIsolated β-bridgetrans-74.3128.5176.3-50.7-31.6000109.4N4 K7 Y33 E34 S37N4-D39 WeakPolarHBondContact CB-OD1 3.42Å; N4-D39 PolarHBondContact ND2-OD1 3.27Å; K7-D39 HydrophobicContact CD-CB 3.85Å; K7-D39 VanDerWaalsContact CD-CG 3.47Å; K7-D39 WeakPolarHBondContact CD-OD2 3.11Å; K7-D39 WeakPolarHBondContact CE-OD2 3.4Å; K7-D39 IonicContact NZ-OD2 3.28Å; K7-D39 PolarHBondContact NZ-OD2 3.34Å; Y33-D39 CarbonylContact C-O 3.1Å; Y33-D39 WeakPolarHBondContact CA-O 3.45Å; E34-D39 HydrophobicContact CB-CB 4.18Å; E34-D39 PolarHBondContact N-O 2.89Å; S37-D39 WeakPolarHBondContact OG-CB 3.26Å; S37-D39 PolarHBondContact OG-N 3.46Å; S37-D39 VanDerWaalsContact OG-N 3.1Å; S37-D39 PolarHBondContact OG-OD2 2.88Å
40I97.9Very high95.8Very high1 Ų146 Ų461%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-91142.8172.4-62.2-72.4000109.3V3 N4 L5 N8 L12 F31 T32 Y33 Y64 M104V3-I40 HydrophobicContact CG2-CD1 4.03Å; V3-I40 HydrophobicContact CG2-CG1 3.39Å; N4-I40 PolarHBondContact O-N 3.38Å; L5-I40 HydrophobicContact CD2-CB 3.91Å; L5-I40 HydrophobicContact CD2-CG1 3.83Å; L5-I40 HydrophobicContact CD2-CG2 4.49Å; N8-I40 WeakPolarHBondContact CB-O 3.35Å; N8-I40 PolarHBondContact ND2-O 3.01Å; L12-I40 HydrophobicContact CD1-CB 4.27Å; L12-I40 HydrophobicContact CD1-CG2 4.11Å; L12-I40 HydrophobicContact CD2-CG2 3.92Å; F31-I40 HydrophobicContact CB-CG2 3.91Å; T32-I40 WeakPolarHBondContact O-CA 3.41Å; Y33-I40 HydrophobicContact CD1-CD1 3.61Å; Y33-I40 HydrophobicContact CD2-CD1 4.21Å; Y33-I40 HydrophobicContact CE1-CD1 3.48Å; Y33-I40 VanDerWaalsContact CE1-CD1 3.48Å; Y33-I40 HydrophobicContact CE1-CG1 4.34Å; Y33-I40 HydrophobicContact CE2-CD1 4.04Å; Y33-I40 HydrophobicContact CG-CD1 4Å; I40-Y64 HydrophobicContact CD1-CD2 4.2Å; I40-Y64 HydrophobicContact CD1-CE2 3.94Å; I40-M104 HydrophobicContact CB-CE 4.26Å; I40-M104 HydrophobicContact CD1-CE 3.96Å; I40-M104 HydrophobicContact CG1-CE 3.67Å; I40-M104 HydrophobicContact CG2-CE 3.93Å
41R97.6Very high95.6Very high109 Ų10953 Ų5341%0.41129%0.294SS..EExtended strand (participates in β ladder)trans-133.6156.617364.7178.5-167.6118.912.5110.4F31 T32F31-R41 WeakPolarHBondContact CA-O 3.49Å; T32-R41 HydrophobicContact CG2-CG 4.07Å; T32-R41 PolarHBondContact N-O 3.4Å; T32-R41 WeakPolarHBondContact O-CG 3.49Å; T32-R41 PolarHBondContact O-N 2.85Å
42L97.9Very high95.6Very high46 Ų4656.4 Ų56.424%0.24131%0.31CS..EExtended strand (participates in β ladder)trans-61.5139.9162.6-173.366.9000109A15 A29 F31 E44A15-L42 HydrophobicContact CB-CD1 3.62Å; A15-L42 HydrophobicContact CB-CD2 4.04Å; A15-L42 HydrophobicContact CB-CG 4.47Å; A29-L42 HydrophobicContact CB-CD1 4.36Å; F31-L42 HydrophobicContact CD1-CB 4.48Å; F31-L42 HydrophobicContact CD1-CD1 3.94Å; F31-L42 HydrophobicContact CE1-CD1 3.62Å; F31-L42 HydrophobicContact CZ-CD1 4.4Å; L42-E44 WeakPolarHBondContact CD1-O 3.45Å
43V97.6Very high95.5Very high39 Ų3956.1 Ų56.124%0.23631%0.308CS..EExtended strand (participates in β ladder)trans-91.7-67.3163.7-175.50000107.3L30 T32 M63L30-V43 HydrophobicContact CB-CB 4.3Å; L30-V43 HydrophobicContact CD2-CB 4.31Å; L30-V43 HydrophobicContact CD2-CG1 4.33Å; L30-V43 HydrophobicContact CG-CB 4.17Å; L30-V43 HydrophobicContact CG-CG2 4.2Å; L30-V43 WeakPolarHBondContact O-CB 3.45Å; L30-V43 PolarHBondContact O-N 3.47Å; T32-V43 HydrophobicContact CG2-CG2 3.29Å; V43-M63 HydrophobicContact CG2-CE 4.39Å
44E97.3Very high95.4Very high97 Ų9757.2 Ų57.245%0.45332%0.316SS..EExtended strand (participates in β ladder)trans-154.2166-166.6-152.985.7-137.400108.3W28 L30 L42W28-E44 HydrophobicContact CH2-CB 3.64Å; W28-E44 HydrophobicContact CH2-CG 3.71Å; W28-E44 HydrophobicContact CZ3-CB 3.88Å; W28-E44 HydrophobicContact CZ3-CG 4.43Å; L30-E44 PolarHBondContact N-O 3.41Å; L42-E44 WeakPolarHBondContact CD1-O 3.45Å
45K97.5Very high95.5Very high78 Ų7862 Ų6234%0.33934%0.338SS..EExtended strand (participates in β ladder)trans-153.4148171.254.1162.9-172.6168.70108.3A15 E18 T26 W28 A29A15-K45 HydrophobicContact CB-CD 4.36Å; E18-K45 IonicContact OE1-NZ 2.76Å; E18-K45 PolarHBondContact OE1-NZ 3.48Å; E18-K45 IonicContact OE2-NZ 2.73Å; E18-K45 PolarHBondContact OE2-NZ 3.33Å; T26-K45 HydrophobicContact CG2-CB 4.02Å; T26-K45 HydrophobicContact CG2-CD 4.19Å; W28-K45 VanDerWaalsContact O-CA 3.26Å; W28-K45 WeakPolarHBondContact O-CA 3.38Å; W28-K45 VanDerWaalsContact O-CB 3.31Å; W28-K45 WeakPolarHBondContact O-CB 3.41Å; A29-K45 HydrophobicContact CB-CB 4.11Å
46G96.6Very high95.8Very high7 Ų763.1 Ų63.17%0.07233%0.327CS..EExtended strand (participates in β ladder)trans-158.1179.7-17400000114.1T26 N27 W28T26-G46 CarbonylContact C-O 3.57Å; T26-G46 WeakPolarHBondContact CA-O 3.15Å; N27-G46 PolarHBondContact N-O 3.01Å; W28-G46 PolarHBondContact N-O 2.92Å; W28-G46 PolarHBondContact O-N 3.05Å; W28-G46 VanDerWaalsContact O-N 3.12Å
47D96.8Very high96.3Very high107 Ų10756.3 Ų56.357%0.57229%0.29SS*.SBendtrans-117.2-0.8-179.563.9-22.2000113.4D25 N27 G49 E52D25-D47 HydrophobicContact CB-CB 4.34Å; D25-D47 VanDerWaalsContact O-CB 3.29Å; D25-D47 WeakPolarHBondContact O-CB 3.44Å; N27-D47 PolarHBondContact ND2-O 2.89Å; D47-G49 PolarHBondContact O-N 2.83Å; D47-E52 PolarHBondContact N-OE2 2.86Å
48G94.1Very high96.3Very high37 Ų3757.5 Ų57.538%0.38129%0.294SS..SBendtrans-76.910.6173.700000115.8E52G48-E52 VanDerWaalsContact CA-OE2 3.23Å; G48-E52 WeakPolarHBondContact CA-OE2 3.29Å; G48-E52 PolarHBondContact N-OE2 3.22Å; G48-E52 PolarHBondContact O-N 3.41Å
49G94.3Very high96.3Very high17 Ų1759.5 Ų59.518%0.17531%0.31CS..Hα-helixtrans68.4-143.6170.200000114.6N27 W28 D47 E51 L53N27-G49 WeakPolarHBondContact OD1-CA 3.44Å; N27-G49 PolarHBondContact OD1-N 3.15Å; W28-G49 VanDerWaalsContact CD1-O 3.23Å; D47-G49 PolarHBondContact O-N 2.83Å; G49-E51 VanDerWaalsContact C-N 3.32Å; G49-L53 VanDerWaalsContact O-CB 3.23Å; G49-L53 WeakPolarHBondContact O-CB 3.45Å; G49-L53 PolarHBondContact O-N 3.05Å
50L95Very high96.2Very high15 Ų1560.1 Ų60.18%0.07932%0.323CS..Hα-helixtrans-71.9-26.2-179.8-66.2-178.7000113.1L53 V54 C67 V69 P125 I128 M129L50-L53 HydrophobicContact CD2-CD2 4.19Å; L50-V54 WeakPolarHBondContact O-CB 3.46Å; L50-V54 WeakPolarHBondContact O-CG2 3.47Å; L50-V54 PolarHBondContact O-N 3.29Å; L50-C67 HydrophobicContact CD2-CB 4.4Å; L50-C67 VanDerWaalsContact CD2-SG 3.5Å; L50-V69 HydrophobicContact CD1-CG1 4.06Å; L50-V69 HydrophobicContact CD2-CG1 3.98Å; L50-V69 HydrophobicContact CG-CG1 3.85Å; L50-P125 HydrophobicContact CB-CB 4.08Å; L50-P125 HydrophobicContact CB-CG 4.05Å; L50-P125 HydrophobicContact CD1-CB 4.19Å; L50-I128 HydrophobicContact CD1-CB 3.91Å; L50-I128 HydrophobicContact CD1-CD1 4.18Å; L50-I128 HydrophobicContact CD1-CG2 3.74Å; L50-I128 HydrophobicContact CD2-CD1 3.93Å; L50-I128 HydrophobicContact CD2-CG2 4.27Å; L50-M129 HydrophobicContact CD1-CG 3.93Å; L50-M129 HydrophobicContact CD1-SD 4Å
51E95.1Very high96.1Very high146 Ų14664.4 Ų64.468%0.68234%0.342SS*.Hα-helixtrans-70-55.4-176.3-65173.5-176.200109.8G49 L53 V54 E55 P125G49-E51 VanDerWaalsContact C-N 3.32Å; E51-L53 PolarHBondContact O-N 3.32Å; E51-V54 PolarHBondContact O-N 3.29Å; E51-E55 PolarHBondContact O-N 3.47Å; E51-P125 HydrophobicContact CG-CG 4.19Å
52E96.9Very high96.1Very high74 Ų7459.6 Ų59.635%0.34633%0.325SS..Hα-helixtrans-60.1-42.2175-171-170.7-156.800112.3W28 D47 G48 V54 E55W28-E52 HydrophobicContact CZ2-CB 4.42Å; W28-E52 HydrophobicContact CZ2-CG 3.72Å; W28-E52 PolarHBondContact NE1-OE2 2.93Å; D47-E52 PolarHBondContact N-OE2 2.86Å; G48-E52 VanDerWaalsContact CA-OE2 3.23Å; G48-E52 WeakPolarHBondContact CA-OE2 3.29Å; G48-E52 PolarHBondContact N-OE2 3.22Å; G48-E52 PolarHBondContact O-N 3.41Å; E52-V54 VanDerWaalsContact C-N 3.28Å; E52-V54 PolarHBondContact O-N 3.22Å; E52-E55 PolarHBondContact O-N 3.04Å
53L96.7Very high96.1Very high0 Ų057.5 Ų57.50%031%0.314CS..Hα-helixtrans-58.5-37.2178.9171.163.1000113.1W28 L30 G49 L50 E51 A65 C67 I82W28-L53 HydrophobicContact CB-CB 4.32Å; W28-L53 HydrophobicContact CB-CD1 4.41Å; W28-L53 HydrophobicContact CB-CD2 4.26Å; W28-L53 HydrophobicContact CD2-CB 3.92Å; W28-L53 HydrophobicContact CD2-CD1 3.94Å; W28-L53 HydrophobicContact CD2-CG 4.48Å; W28-L53 HydrophobicContact CE3-CB 4.32Å; W28-L53 HydrophobicContact CE3-CD1 3.47Å; W28-L53 VanDerWaalsContact CE3-CD1 3.47Å; W28-L53 HydrophobicContact CE3-CG 4.46Å; W28-L53 HydrophobicContact CG-CB 3.91Å; W28-L53 HydrophobicContact CG-CD1 4.35Å; W28-L53 HydrophobicContact CZ3-CD1 4.04Å; L30-L53 HydrophobicContact CB-CD1 4.31Å; L30-L53 HydrophobicContact CD1-CD1 4.32Å; G49-L53 VanDerWaalsContact O-CB 3.23Å; G49-L53 WeakPolarHBondContact O-CB 3.45Å; G49-L53 PolarHBondContact O-N 3.05Å; L50-L53 HydrophobicContact CD2-CD2 4.19Å; E51-L53 PolarHBondContact O-N 3.32Å; L53-A65 HydrophobicContact CD1-CB 3.6Å; L53-A65 HydrophobicContact CD2-CB 3.92Å; L53-A65 HydrophobicContact CG-CB 4.26Å; L53-C67 HydrophobicContact CD2-CB 4Å; L53-I82 HydrophobicContact CD2-CD1 4.12Å
54V95.6Very high96.1Very high38 Ų3855.8 Ų55.823%0.2330%0.303CS..Hα-helixtrans-75.3-33-177.2168.90000111.4L50 E51 E52 E56 L57 V123L50-V54 WeakPolarHBondContact O-CB 3.46Å; L50-V54 WeakPolarHBondContact O-CG2 3.47Å; L50-V54 PolarHBondContact O-N 3.29Å; E51-V54 PolarHBondContact O-N 3.29Å; E52-V54 VanDerWaalsContact C-N 3.28Å; E52-V54 PolarHBondContact O-N 3.22Å; V54-E56 VanDerWaalsContact C-N 3.28Å; V54-E56 PolarHBondContact O-N 3.39Å; V54-L57 HydrophobicContact CG2-CD1 4.37Å; V54-L57 WeakPolarHBondContact O-CB 3.49Å; V54-L57 PolarHBondContact O-N 2.89Å; V54-V123 HydrophobicContact CG1-CG2 4.25Å; V54-V123 HydrophobicContact CG2-CB 4.17Å; V54-V123 HydrophobicContact CG2-CG2 4.2Å; V54-V123 VanDerWaalsContact CG2-O 3.28Å; V54-V123 WeakPolarHBondContact CG2-O 3.41Å
55E95.6Very high96.1Very high171 Ų17151.1 Ų51.180%0.79928%0.281SS*.Hα-helixtrans-64.5-30.2176.5-64.7-166.8162.900112.8E51 E52E51-E55 PolarHBondContact O-N 3.47Å; E52-E55 PolarHBondContact O-N 3.04Å
56E96.6Very high96.2Very high88 Ų8847.4 Ų47.441%0.41127%0.265SS..THydrogen-bonded Turntrans-85.1-1.4175.8-78.8-58.9143.500114.9W28 L30 V54 M63W28-E56 HydrophobicContact CH2-CB 4.46Å; W28-E56 HydrophobicContact CH2-CG 4.37Å; L30-E56 HydrophobicContact CD2-CB 3.87Å; L30-E56 WeakPolarHBondContact CD2-O 3.5Å; V54-E56 VanDerWaalsContact C-N 3.28Å; V54-E56 PolarHBondContact O-N 3.39Å; E56-M63 WeakPolarHBondContact O-CE 3.24Å
57L96.2Very high96.2Very high21 Ų2147.1 Ų47.111%0.1126%0.262CS..  trans-71.1144.5173.8-69175.9000111.6L30 V54 M63 W84 V123L30-L57 HydrophobicContact CD1-CD2 3.85Å; V54-L57 HydrophobicContact CG2-CD1 4.37Å; V54-L57 WeakPolarHBondContact O-CB 3.49Å; V54-L57 PolarHBondContact O-N 2.89Å; L57-M63 HydrophobicContact CD2-SD 4.34Å; L57-W84 HydrophobicContact CB-CD2 4.49Å; L57-W84 HydrophobicContact CB-CZ2 4.48Å; L57-W84 HydrophobicContact CD1-CD2 4.3Å; L57-W84 HydrophobicContact CD1-CE3 4.04Å; L57-W84 HydrophobicContact CD1-CZ3 4.35Å; L57-W84 HydrophobicContact CD2-CB 4.14Å; L57-W84 HydrophobicContact CD2-CD2 4.23Å; L57-W84 HydrophobicContact CD2-CG 3.96Å; L57-V123 HydrophobicContact CD1-CB 4.06Å; L57-V123 HydrophobicContact CD1-CG1 4.05Å; L57-V123 HydrophobicContact CD1-CG2 3.74Å
58N95.6Very high96.2Very high61 Ų6144 Ų4433%0.32624%0.242SC..  trans-129.6111.6-173.1-163.1-103.5000111.7G60 K61 M63 W84N58-G60 PolarHBondContact O-N 3.3Å; N58-K61 HydrophobicContact CB-CB 4.34Å; N58-K61 HydrophobicContact CB-CD 3.94Å; N58-K61 HydrophobicContact CB-CG 4.31Å; N58-K61 PolarHBondContact O-N 2.96Å; N58-K61 VanDerWaalsContact OD1-CE 3.3Å; N58-K61 WeakPolarHBondContact OD1-CE 3.41Å; N58-K61 WeakPolarHBondContact OD1-CG 3.22Å; N58-M63 HydrophobicContact CB-CE 3.8Å; N58-M63 HydrophobicContact CB-SD 3.82Å; N58-M63 PolarHBondContact N-SD 3.07Å; N58-M63 VanDerWaalsContact N-SD 3.4Å; N58-W84 PolarHBondContact O-NE1 2.88Å
59S94.6Very high96.3Very high68 Ų6843 Ų4348%0.47623%0.228SC..THydrogen-bonded Turntrans-59.9-15.6-179.958.80000114.7G86 E87 G88S59-G86 CarbonylContact O-C 3.36Å; S59-G86 WeakPolarHBondContact O-CA 3.48Å; S59-E87 PolarHBondContact O-N 2.9Å; S59-G88 WeakPolarHBondContact O-CA 3.46Å; S59-G88 PolarHBondContact O-N 3.45Å
60G94.9Very high96.3Very high43 Ų4349 Ų4944%0.44325%0.251SS..THydrogen-bonded Turntrans-87.7-2.2173.400000115.7N58N58-G60 PolarHBondContact O-N 3.3Å
61K95.7Very high96.1Very high91 Ų9148.3 Ų48.340%0.39625%0.248SC..SBendtrans-130.1157.4-171.4-63.1170.5-162.6151.40112.3N58 M63 G86 V89N58-K61 HydrophobicContact CB-CB 4.34Å; N58-K61 HydrophobicContact CB-CD 3.94Å; N58-K61 HydrophobicContact CB-CG 4.31Å; N58-K61 PolarHBondContact O-N 2.96Å; N58-K61 VanDerWaalsContact OD1-CE 3.3Å; N58-K61 WeakPolarHBondContact OD1-CE 3.41Å; N58-K61 WeakPolarHBondContact OD1-CG 3.22Å; K61-M63 HydrophobicContact CB-CG 4.07Å; K61-M63 HydrophobicContact CB-SD 4.17Å; K61-M63 HydrophobicContact CD-CE 4.21Å; K61-G86 PolarHBondContact O-N 3.34Å; K61-V89 WeakPolarHBondContact O-CG2 3.49Å
62V97Very high95.8Very high8 Ų845.4 Ų45.45%0.04824%0.242CC..EExtended strand (participates in β ladder)trans-94.9127162.1-1750000107.2T32 Y33 W84 T85 V89 C97T32-V62 PolarHBondContact OG1-O 3.11Å; Y33-V62 HydrophobicContact CD2-CB 4.17Å; Y33-V62 HydrophobicContact CE2-CB 3.87Å; Y33-V62 HydrophobicContact CE2-CG1 3.92Å; V62-W84 CarbonylContact C-O 3.58Å; V62-W84 WeakPolarHBondContact CA-O 3.29Å; V62-W84 WeakPolarHBondContact CG1-O 3.33Å; V62-T85 HydrophobicContact CG2-CG2 4.41Å; V62-V89 HydrophobicContact CG2-CB 4.32Å; V62-V89 HydrophobicContact CG2-CG1 3.68Å; V62-V89 HydrophobicContact CG2-CG2 3.84Å; V62-C97 HydrophobicContact CB-CB 4.49Å; V62-C97 HydrophobicContact CG1-CB 4Å; V62-C97 HydrophobicContact CG2-CB 4.25Å
63M97.9Very high95.3Very high2 Ų245.4 Ų45.41%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-134.8161.7-175.9-63156.1123.700110L30 F31 V43 E56 L57 N58 K61 W84L30-M63 HydrophobicContact CD1-CB 3.93Å; L30-M63 HydrophobicContact CD2-CE 3.84Å; L30-M63 HydrophobicContact CG-CE 4.38Å; F31-M63 CarbonylContact O-C 3.55Å; F31-M63 WeakPolarHBondContact O-CA 3.24Å; F31-M63 WeakPolarHBondContact O-CB 3.34Å; V43-M63 HydrophobicContact CG2-CE 4.39Å; E56-M63 WeakPolarHBondContact O-CE 3.24Å; L57-M63 HydrophobicContact CD2-SD 4.34Å; N58-M63 HydrophobicContact CB-CE 3.8Å; N58-M63 HydrophobicContact CB-SD 3.82Å; N58-M63 PolarHBondContact N-SD 3.07Å; N58-M63 VanDerWaalsContact N-SD 3.4Å; K61-M63 HydrophobicContact CB-CG 4.07Å; K61-M63 HydrophobicContact CB-SD 4.17Å; K61-M63 HydrophobicContact CD-CE 4.21Å; M63-W84 HydrophobicContact CB-CB 4.12Å; M63-W84 HydrophobicContact CB-CG 4.37Å; M63-W84 PolarHBondContact N-O 3.45Å; M63-W84 PolarHBondContact O-N 2.99Å; M63-W84 VanDerWaalsContact O-O 3.13Å
64Y98.3Very high94.9Very high2 Ų247.8 Ų47.81%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-129.5119.3174.3-55.4-83.2000107.6F31 Y33 I40 I82 N83 C97 V101 M104F31-Y64 WeakPolarHBondContact CD2-O 3.35Å; F31-Y64 PolarHBondContact N-O 3.03Å; F31-Y64 PolarHBondContact O-N 3.37Å; Y33-Y64 AromaticContact CE2-CE2 3.81Å; Y33-Y64 HydrophobicContact CE2-CE2 3.81Å; Y33-Y64 AromaticContact CZ-CE2 3.9Å; Y33-Y64 PolarHBondContact OH-OH 2.93Å; I40-Y64 HydrophobicContact CD1-CD2 4.2Å; I40-Y64 HydrophobicContact CD1-CE2 3.94Å; Y64-I82 WeakPolarHBondContact CA-O 3.46Å; Y64-N83 HydrophobicContact CD1-CB 4.49Å; Y64-N83 WeakPolarHBondContact CD1-OD1 3.32Å; Y64-C97 PolarHBondContact OH-O 3.13Å; Y64-V101 HydrophobicContact CE1-CG2 4.3Å; Y64-M104 HydrophobicContact CD1-CB 4.23Å; Y64-M104 HydrophobicContact CD1-CG 3.68Å; Y64-M104 HydrophobicContact CD2-CE 3.81Å; Y64-M104 HydrophobicContact CD2-CG 4.1Å; Y64-M104 HydrophobicContact CD2-SD 4.47Å; Y64-M104 HydrophobicContact CE1-CB 4.24Å; Y64-M104 HydrophobicContact CE1-CG 4.18Å; Y64-M104 HydrophobicContact CE2-CE 4.11Å; Y64-M104 HydrophobicContact CG-CE 4.28Å; Y64-M104 HydrophobicContact CG-CG 3.64Å; Y64-M104 HydrophobicContact CG-SD 4.37Å
65A98.1Very high94.5Very high0 Ų048.2 Ų48.20%027%0.273CS..EExtended strand (participates in β ladder)trans-104.1143.5173.100000110.4A29 L30 L53 L81 I82A29-A65 WeakPolarHBondContact O-CA 3.37Å; L30-A65 HydrophobicContact CD1-CB 3.92Å; L53-A65 HydrophobicContact CD1-CB 3.6Å; L53-A65 HydrophobicContact CD2-CB 3.92Å; L53-A65 HydrophobicContact CG-CB 4.26Å; A65-L81 WeakPolarHBondContact O-CA 3.34Å; A65-I82 HydrophobicContact CB-CB 4.1Å; A65-I82 HydrophobicContact CB-CD1 4.37Å; A65-I82 HydrophobicContact CB-CG1 4.43Å; A65-I82 PolarHBondContact N-O 2.88Å; A65-I82 PolarHBondContact O-N 2.91Å
66F98.3Very high94.3Very high0 Ų045.2 Ų45.20%026%0.262CS..EExtended strand (participates in β ladder)trans-127.5120.6170.6-165.6-98.9000108.6Y16 V19 V20 W28 A29 F31 Y79 V80 L81 L108 A111Y16-F66 AromaticContact CD2-CD1 3.98Å; Y16-F66 HydrophobicContact CD2-CD1 3.98Å; Y16-F66 AromaticContact CD2-CE1 3.89Å; Y16-F66 HydrophobicContact CD2-CE1 3.89Å; Y16-F66 HydrophobicContact CD2-CG 4.46Å; Y16-F66 HydrophobicContact CD2-CZ 4.27Å; Y16-F66 HydrophobicContact CE2-CD1 4.27Å; Y16-F66 AromaticContact CE2-CE1 3.73Å; Y16-F66 HydrophobicContact CE2-CE1 3.73Å; Y16-F66 HydrophobicContact CE2-CE2 4.31Å; Y16-F66 AromaticContact CE2-CZ 3.73Å; Y16-F66 HydrophobicContact CE2-CZ 3.73Å; V19-F66 HydrophobicContact CB-CD1 4.26Å; V19-F66 HydrophobicContact CG1-CD1 3.79Å; V19-F66 HydrophobicContact CG1-CE1 4.19Å; V20-F66 HydrophobicContact CG2-CE1 3.76Å; V20-F66 HydrophobicContact CG2-CZ 4.4Å; W28-F66 CarbonylContact C-O 3.53Å; W28-F66 WeakPolarHBondContact CA-O 3.49Å; A29-F66 PolarHBondContact N-O 3.09Å; A29-F66 PolarHBondContact O-N 3.42Å; F31-F66 HydrophobicContact CE2-CB 4.35Å; F66-Y79 AromaticContact CE1-CD1 3.66Å; F66-Y79 HydrophobicContact CE1-CD1 3.66Å; F66-Y79 HydrophobicContact CE1-CE1 4.48Å; F66-Y79 HydrophobicContact CE1-CG 4.08Å; F66-Y79 HydrophobicContact CZ-CD1 4.03Å; F66-Y79 AromaticContact CZ-CG 3.95Å; F66-Y79 HydrophobicContact CZ-CG 3.95Å; F66-V80 WeakPolarHBondContact CA-O 3.48Å; F66-L81 HydrophobicContact CD2-CB 4.38Å; F66-L108 HydrophobicContact CB-CD1 4.24Å; F66-L108 HydrophobicContact CB-CD2 4.42Å; F66-L108 HydrophobicContact CD2-CB 3.8Å; F66-L108 HydrophobicContact CD2-CD1 4.44Å; F66-L108 HydrophobicContact CE2-CB 4.09Å; F66-L108 VanDerWaalsContact CE2-O 3.32Å; F66-L108 WeakPolarHBondContact CE2-O 3.43Å; F66-L108 HydrophobicContact CG-CB 4.48Å; F66-L108 HydrophobicContact CG-CD2 4.5Å; F66-A111 HydrophobicContact CE2-CB 4.12Å
67C97.2Very high94.1Very high0 Ų043 Ų430%026%0.255CS..EExtended strand (participates in β ladder)trans-136.2152.6-176.759.30000113.2N27 W28 L50 L53 Y79 V80N27-C67 CarbonylContact O-C 3.51Å; N27-C67 WeakPolarHBondContact O-CA 3.24Å; W28-C67 HydrophobicContact CB-CB 3.7Å; L50-C67 HydrophobicContact CD2-CB 4.4Å; L50-C67 VanDerWaalsContact CD2-SG 3.5Å; L53-C67 HydrophobicContact CD2-CB 4Å; C67-Y79 CarbonylContact O-C 3.59Å; C67-Y79 VanDerWaalsContact O-CA 3.3Å; C67-Y79 WeakPolarHBondContact O-CA 3.32Å; C67-V80 PolarHBondContact N-O 2.9Å; C67-V80 PolarHBondContact O-N 2.98Å
68R96.7Very high94.1Very high43 Ų4343.2 Ų43.216%0.16226%0.255CS..EExtended strand (participates in β ladder)trans-106.5119.1178-176.1179.969-147.711.6108.6V19 D21 S24 N27 P77 Y79V19-R68 HydrophobicContact CG1-CB 4.05Å; V19-R68 PolarHBondContact O-NH1 3.33Å; D21-R68 PolarHBondContact O-NH1 3.41Å; S24-R68 PolarHBondContact O-NH1 3.31Å; S24-R68 PolarHBondContact O-NH2 3.49Å; N27-R68 HydrophobicContact CB-CB 4.37Å; N27-R68 PolarHBondContact O-N 3.05Å; R68-P77 HydrophobicContact CG-CB 3.98Å; R68-Y79 HydrophobicContact CB-CD1 3.94Å; R68-Y79 HydrophobicContact CB-CE1 3.67Å; R68-Y79 HydrophobicContact CG-CD1 4.2Å; R68-Y79 HydrophobicContact CG-CE1 3.61Å
69V95.9Very high94.1Very high14 Ų1441.4 Ų41.49%0.08524%0.244CC..EExtended strand (participates in β ladder)trans-129.6149.5-179.3-61.50000110.5L50 P77 K78 V80 M129 V132L50-V69 HydrophobicContact CD1-CG1 4.06Å; L50-V69 HydrophobicContact CD2-CG1 3.98Å; L50-V69 HydrophobicContact CG-CG1 3.85Å; V69-P77 WeakPolarHBondContact O-CA 3.36Å; V69-K78 PolarHBondContact N-O 3.26Å; V69-K78 PolarHBondContact O-N 3.36Å; V69-V80 HydrophobicContact CG2-CG2 3.95Å; V69-M129 HydrophobicContact CB-CE 4.45Å; V69-M129 HydrophobicContact CB-SD 3.85Å; V69-M129 HydrophobicContact CG1-SD 4.23Å; V69-M129 HydrophobicContact CG2-SD 3.94Å; V69-V132 HydrophobicContact CG2-CG1 4.11Å; V69-V132 HydrophobicContact CG2-CG2 4.01Å
70Q93.8Very high94.3Very high143 Ų14338.2 Ų38.267%0.66822%0.221SC*.EExtended strand (participates in β ladder)trans-85.4121.5177.1-66.2179.110.300110.2M129Q70-M129 VanDerWaalsContact O-CE 3.26Å; Q70-M129 WeakPolarHBondContact O-CE 3.47Å
71D92Very high94.4Very high1 Ų136.1 Ų36.11%0.00520%0.2CC..  trans-62.4125.2176.6162.750.6000111.5N73 S74 G75 L76 K78 V132 S136D71-N73 PolarHBondContact O-N 3.24Å; D71-N73 VanDerWaalsContact O-N 3.08Å; D71-N73 PolarHBondContact OD1-N 2.91Å; D71-S74 PolarHBondContact O-N 3.38Å; D71-S74 VanDerWaalsContact OD2-CB 3.29Å; D71-S74 WeakPolarHBondContact OD2-CB 3.42Å; D71-S74 PolarHBondContact OD2-N 2.61Å; D71-S74 PolarHBondContact OD2-OG 3.33Å; D71-G75 WeakPolarHBondContact O-CA 3.43Å; D71-G75 PolarHBondContact O-N 2.93Å; D71-L76 PolarHBondContact N-O 3.48Å; D71-K78 HydrophobicContact CB-CD 4Å; D71-K78 HydrophobicContact CB-CG 4.36Å; D71-V132 HydrophobicContact CB-CG1 4.35Å; D71-S136 WeakPolarHBondContact OD1-CB 3.2Å; D71-S136 PolarHBondContact OD1-OG 3.01Å; D71-S136 WeakPolarHBondContact OD2-CB 3.39Å; D71-S136 PolarHBondContact OD2-OG 2.9Å
72P88.6Confident94.5Very high85 Ų8531.9 Ų31.955%0.55218%0.182SC*.THydrogen-bonded Turntrans-67.9-10.6-175.628.4-37.1000114.5A133P72-A133 HydrophobicContact CG-CB 3.78Å
73N86.8Confident94.6Very high75 Ų7531.6 Ų31.640%0.40118%0.18SC..THydrogen-bonded Turntrans-89.8-43175.5-65.1-55.3000113.2D71 A133 A138D71-N73 PolarHBondContact O-N 3.24Å; D71-N73 VanDerWaalsContact O-N 3.08Å; D71-N73 PolarHBondContact OD1-N 2.91Å; N73-A133 PolarHBondContact ND2-O 2.99Å; N73-A138 HydrophobicContact CB-CB 4.08Å
74S87.2Confident94.6Very high49 Ų4931.6 Ų31.634%0.34318%0.18SC..THydrogen-bonded Turntrans-108.9-16.3-173.664.30000115.2D71 L76D71-S74 PolarHBondContact O-N 3.38Å; D71-S74 VanDerWaalsContact OD2-CB 3.29Å; D71-S74 WeakPolarHBondContact OD2-CB 3.42Å; D71-S74 PolarHBondContact OD2-N 2.61Å; D71-S74 PolarHBondContact OD2-OG 3.33Å; S74-L76 PolarHBondContact O-N 3.38Å; S74-L76 PolarHBondContact OG-N 2.9Å
75G88.1Confident94.5Very high47 Ų4733.1 Ų33.149%0.48519%0.189SC..  trans72-1.1-171.300000114.7D71D71-G75 WeakPolarHBondContact O-CA 3.43Å; D71-G75 PolarHBondContact O-N 2.93Å
76L90.7Very high94.4Very high109 Ų10933.1 Ų33.157%0.57119%0.189SC*.  trans-77146.1-177.6-62.8176.1000111.8D71 S74 K78D71-L76 PolarHBondContact N-O 3.48Å; S74-L76 PolarHBondContact O-N 3.38Å; S74-L76 PolarHBondContact OG-N 2.9Å; L76-K78 PolarHBondContact O-N 2.98Å
77P93.2Very high94.2Very high42 Ų4239.7 Ų39.727%0.27322%0.22SC..EExtended strand (participates in β ladder)trans-66.5126.2172.527.4-32.2000110.4E22 R68 V69E22-P77 WeakPolarHBondContact OE1-CG 3.49Å; R68-P77 HydrophobicContact CG-CB 3.98Å; V69-P77 WeakPolarHBondContact O-CA 3.36Å
78K94.8Very high93.9Very high25 Ų2542.5 Ų42.511%0.10925%0.249CC..EExtended strand (participates in β ladder)trans-117.1146.4168.4-74.1-174.3-177.3-87.30109.7V69 D71 L76 H112 V132 A135 S136V69-K78 PolarHBondContact N-O 3.26Å; V69-K78 PolarHBondContact O-N 3.36Å; D71-K78 HydrophobicContact CB-CD 4Å; D71-K78 HydrophobicContact CB-CG 4.36Å; L76-K78 PolarHBondContact O-N 2.98Å; K78-H112 HydrophobicContact CB-CB 4.19Å; K78-H112 HydrophobicContact CD-CB 4.44Å; K78-H112 HydrophobicContact CG-CB 4.34Å; K78-V132 HydrophobicContact CB-CG1 4.21Å; K78-V132 HydrophobicContact CD-CG1 3.88Å; K78-A135 PolarHBondContact NZ-O 2.94Å; K78-S136 WeakPolarHBondContact CE-OG 3.27Å
79Y96.6Very high93.9Very high23 Ų2341 Ų419%0.0925%0.245CC..EExtended strand (participates in β ladder)trans-99.9135.4177.8-60.2-76.8000110.9V19 V20 F66 C67 R68 H112 V113V19-Y79 HydrophobicContact CG1-CD1 4.45Å; V19-Y79 HydrophobicContact CG1-CE1 4.45Å; V20-Y79 HydrophobicContact CB-CE1 4.49Å; V20-Y79 HydrophobicContact CG2-CD1 4.46Å; V20-Y79 HydrophobicContact CG2-CE1 4.13Å; V20-Y79 PolarHBondContact O-OH 3.27Å; F66-Y79 AromaticContact CE1-CD1 3.66Å; F66-Y79 HydrophobicContact CE1-CD1 3.66Å; F66-Y79 HydrophobicContact CE1-CE1 4.48Å; F66-Y79 HydrophobicContact CE1-CG 4.08Å; F66-Y79 HydrophobicContact CZ-CD1 4.03Å; F66-Y79 AromaticContact CZ-CG 3.95Å; F66-Y79 HydrophobicContact CZ-CG 3.95Å; C67-Y79 CarbonylContact O-C 3.59Å; C67-Y79 VanDerWaalsContact O-CA 3.3Å; C67-Y79 WeakPolarHBondContact O-CA 3.32Å; R68-Y79 HydrophobicContact CB-CD1 3.94Å; R68-Y79 HydrophobicContact CB-CE1 3.67Å; R68-Y79 HydrophobicContact CG-CD1 4.2Å; R68-Y79 HydrophobicContact CG-CE1 3.61Å; Y79-H112 AromaticContact CD2-CE1 3.89Å; Y79-H112 AromaticContact CD2-ND1 3.9Å; Y79-H112 PolarHBondContact N-ND1 3.35Å; Y79-H112 WeakPolarHBondContact O-CB 3.29Å; Y79-H112 PolarHBondContact O-N 3.37Å; Y79-V113 PolarHBondContact O-N 3.44Å
80V97.6Very high93.8Very high0 Ų048.7 Ų48.70%028%0.277CS..EExtended strand (participates in β ladder)trans-118.4131177.7-174.20000109.4F66 C67 V69 I82 V113 I115 I128 V132F66-V80 WeakPolarHBondContact CA-O 3.48Å; C67-V80 PolarHBondContact N-O 2.9Å; C67-V80 PolarHBondContact O-N 2.98Å; V69-V80 HydrophobicContact CG2-CG2 3.95Å; V80-I82 HydrophobicContact CG1-CG1 4Å; V80-V113 WeakPolarHBondContact CA-O 3.39Å; V80-V113 HydrophobicContact CG1-CB 4.38Å; V80-V113 HydrophobicContact CG2-CB 4.38Å; V80-I115 HydrophobicContact CG1-CD1 3.74Å; V80-I115 HydrophobicContact CG1-CG1 4.07Å; V80-I128 HydrophobicContact CG1-CG2 4.31Å; V80-I128 HydrophobicContact CG2-CG2 4.39Å; V80-V132 HydrophobicContact CG2-CG2 3.49Å; V80-V132 VanDerWaalsContact CG2-CG2 3.49Å
81L98.2Very high93.8Very high0 Ų047.4 Ų47.40%028%0.275CS..EExtended strand (participates in β ladder)trans-102.6118.3170.2172.359.5000109A65 F66 A105 L108 A111 V113 T114 I115A65-L81 WeakPolarHBondContact O-CA 3.34Å; F66-L81 HydrophobicContact CD2-CB 4.38Å; L81-A105 HydrophobicContact CD2-CB 3.77Å; L81-L108 HydrophobicContact CD1-CB 4.42Å; L81-L108 HydrophobicContact CD1-CD1 3.66Å; L81-A111 HydrophobicContact CB-CB 3.7Å; L81-V113 PolarHBondContact N-O 3.06Å; L81-T114 HydrophobicContact CB-CG2 4.47Å; L81-T114 HydrophobicContact CD2-CG2 4.19Å; L81-T114 HydrophobicContact CG-CG2 4.28Å; L81-T114 CarbonylContact O-C 3.51Å; L81-T114 WeakPolarHBondContact O-CA 3.45Å; L81-I115 PolarHBondContact O-N 3.17Å
82I98.1Very high93.8Very high1 Ų151.3 Ų51.31%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-107.8112.7177.7-46.4176.5000109L53 Y64 A65 V80 W84 I115 A117 V123 I128L53-I82 HydrophobicContact CD2-CD1 4.12Å; Y64-I82 WeakPolarHBondContact CA-O 3.46Å; A65-I82 HydrophobicContact CB-CB 4.1Å; A65-I82 HydrophobicContact CB-CD1 4.37Å; A65-I82 HydrophobicContact CB-CG1 4.43Å; A65-I82 PolarHBondContact N-O 2.88Å; A65-I82 PolarHBondContact O-N 2.91Å; V80-I82 HydrophobicContact CG1-CG1 4Å; I82-W84 PolarHBondContact O-N 2.85Å; I82-I115 CarbonylContact C-O 3.59Å; I82-I115 WeakPolarHBondContact CA-O 3.47Å; I82-A117 HydrophobicContact CG2-CB 3.98Å; I82-V123 HydrophobicContact CG2-CG1 3.84Å; I82-I128 HydrophobicContact CD1-CD1 3.65Å
83N97.9Very high94.1Very high3 Ų349.6 Ų49.62%0.01629%0.29CS..EExtended strand (participates in β ladder)trans-87.487.6172.4-58.8-52.8000108.9Y64 V101 T114 I115 N116 A117Y64-N83 HydrophobicContact CD1-CB 4.49Å; Y64-N83 WeakPolarHBondContact CD1-OD1 3.32Å; N83-V101 WeakPolarHBondContact ND2-CG1 3.48Å; N83-T114 VanDerWaalsContact ND2-CG2 3.32Å; N83-T114 WeakPolarHBondContact ND2-CG2 3.47Å; N83-I115 PolarHBondContact N-O 3.49Å; N83-N116 WeakPolarHBondContact CB-OD1 3.32Å; N83-N116 PolarHBondContact ND2-OD1 3.03Å; N83-A117 PolarHBondContact O-N 3.43Å
84W98Very high94.4Very high1 Ų148.6 Ų48.60%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-79.5120.9-179174.3-101.9000111.6L57 N58 V62 M63 I82 A117 A119 D120 V123L57-W84 HydrophobicContact CB-CD2 4.49Å; L57-W84 HydrophobicContact CB-CZ2 4.48Å; L57-W84 HydrophobicContact CD1-CD2 4.3Å; L57-W84 HydrophobicContact CD1-CE3 4.04Å; L57-W84 HydrophobicContact CD1-CZ3 4.35Å; L57-W84 HydrophobicContact CD2-CB 4.14Å; L57-W84 HydrophobicContact CD2-CD2 4.23Å; L57-W84 HydrophobicContact CD2-CG 3.96Å; N58-W84 PolarHBondContact O-NE1 2.88Å; V62-W84 CarbonylContact C-O 3.58Å; V62-W84 WeakPolarHBondContact CA-O 3.29Å; V62-W84 WeakPolarHBondContact CG1-O 3.33Å; M63-W84 HydrophobicContact CB-CB 4.12Å; M63-W84 HydrophobicContact CB-CG 4.37Å; M63-W84 PolarHBondContact N-O 3.45Å; M63-W84 PolarHBondContact O-N 2.99Å; M63-W84 VanDerWaalsContact O-O 3.13Å; I82-W84 PolarHBondContact O-N 2.85Å; W84-A117 HydrophobicContact CE3-CB 3.84Å; W84-A117 HydrophobicContact CZ3-CB 4.32Å; W84-A119 WeakPolarHBondContact CZ3-O 3.34Å; W84-D120 WeakPolarHBondContact CH2-OD1 3.25Å; W84-V123 HydrophobicContact CE3-CG1 3.98Å; W84-V123 HydrophobicContact CZ3-CG1 4.09Å; W84-V123 HydrophobicContact CZ3-CG2 3.96Å
85T96.9Very high94.6Very high34 Ų3448.4 Ų48.421%0.20929%0.288CS..EExtended strand (participates in β ladder)trans-124.773.8177.3-53.20000109.8V62 K94 A117V62-T85 HydrophobicContact CG2-CG2 4.41Å; T85-K94 HydrophobicContact CG2-CB 4.21Å; T85-K94 HydrophobicContact CG2-CD 3.95Å; T85-K94 HydrophobicContact CG2-CG 3.78Å; T85-A117 PolarHBondContact N-O 3Å
86G95.4Very high94.8Very high0 Ų048.6 Ų48.60%028%0.277CS..  trans-51.9143.3-175.900000114.1S59 K61 G88 V89S59-G86 CarbonylContact O-C 3.36Å; S59-G86 WeakPolarHBondContact O-CA 3.48Å; K61-G86 PolarHBondContact O-N 3.34Å; G86-G88 VanDerWaalsContact C-N 3.3Å; G86-G88 PolarHBondContact O-N 3.37Å; G86-V89 WeakPolarHBondContact O-CB 3.42Å; G86-V89 VanDerWaalsContact O-CG2 3.25Å; G86-V89 WeakPolarHBondContact O-CG2 3.47Å; G86-V89 PolarHBondContact O-N 3.48Å; G86-V89 VanDerWaalsContact O-N 3.1Å
87E93.8Very high94.9Very high139 Ų13943.6 Ų43.665%0.6525%0.251SS*.THydrogen-bonded Turntrans-52.3-43.6-171.1-55.7-161.7127.100114.2S59 V89 K94 R118S59-E87 PolarHBondContact O-N 2.9Å; E87-V89 PolarHBondContact O-N 2.89Å; E87-K94 PolarHBondContact O-NZ 3.45Å; E87-R118 WeakPolarHBondContact CG-O 3.42Å
88G92.8Very high94.9Very high59 Ų5944.6 Ų44.661%0.60826%0.263SS*.THydrogen-bonded Turntrans-72-4.5-176.100000115.1S59 G86 K90S59-G88 WeakPolarHBondContact O-CA 3.46Å; S59-G88 PolarHBondContact O-N 3.45Å; G86-G88 VanDerWaalsContact C-N 3.3Å; G86-G88 PolarHBondContact O-N 3.37Å; G88-K90 PolarHBondContact O-N 3.26Å
89V95.2Very high94.9Very high11 Ų1149.1 Ų49.17%0.06729%0.288CS..SBendtrans-65.6131.8171.3177.50000109.9K61 V62 G86 E87 D91 R93 K94K61-V89 WeakPolarHBondContact O-CG2 3.49Å; V62-V89 HydrophobicContact CG2-CB 4.32Å; V62-V89 HydrophobicContact CG2-CG1 3.68Å; V62-V89 HydrophobicContact CG2-CG2 3.84Å; G86-V89 WeakPolarHBondContact O-CB 3.42Å; G86-V89 VanDerWaalsContact O-CG2 3.25Å; G86-V89 WeakPolarHBondContact O-CG2 3.47Å; G86-V89 PolarHBondContact O-N 3.48Å; G86-V89 VanDerWaalsContact O-N 3.1Å; E87-V89 PolarHBondContact O-N 2.89Å; V89-D91 PolarHBondContact O-N 3.44Å; V89-R93 HydrophobicContact CG1-CB 4Å; V89-R93 HydrophobicContact CG1-CG 4.13Å; V89-K94 HydrophobicContact CB-CG 4.01Å; V89-K94 HydrophobicContact CG1-CG 3.67Å; V89-K94 VanDerWaalsContact O-CE 3.28Å; V89-K94 WeakPolarHBondContact O-CE 3.3Å; V89-K94 PolarHBondContact O-NZ 2.88Å
90K94.5Very high94.9Very high175 Ų17548.1 Ų48.176%0.76128%0.284SS*.  trans-61.1135175.2-62.6178.7-179.3178.60111.1G88 A92 R93 K94G88-K90 PolarHBondContact O-N 3.26Å; K90-A92 VanDerWaalsContact C-N 3.28Å; K90-A92 PolarHBondContact O-N 3.24Å; K90-R93 WeakPolarHBondContact O-CA 3.29Å; K90-R93 WeakPolarHBondContact O-CB 3.49Å; K90-R93 PolarHBondContact O-N 3.02Å; K90-K94 PolarHBondContact O-N 2.9Å; K90-K94 VanDerWaalsContact O-N 3.07Å
91D94.1Very high94.8Very high117 Ų11750 Ų5063%0.62630%0.296SS*.Hα-helixtrans-62-32.8-171.3-53.1-47.2000113.9V89 R93 K94 G95V89-D91 PolarHBondContact O-N 3.44Å; D91-R93 PolarHBondContact O-N 3.37Å; D91-K94 WeakPolarHBondContact O-CB 3.27Å; D91-K94 PolarHBondContact O-N 3.48Å; D91-K94 VanDerWaalsContact O-N 3.11Å; D91-K94 WeakPolarHBondContact OD1-CD 3.17Å; D91-K94 IonicContact OD1-NZ 2.74Å; D91-K94 PolarHBondContact OD1-NZ 2.98Å; D91-G95 PolarHBondContact O-N 2.91Å
92A92.4Very high94.6Very high82 Ų8253.7 Ų53.768%0.67832%0.322SS*.Hα-helixtrans-58.8-30.9170.800000113K90 I96K90-A92 VanDerWaalsContact C-N 3.28Å; K90-A92 PolarHBondContact O-N 3.24Å; A92-I96 WeakPolarHBondContact O-CD1 3.45Å; A92-I96 WeakPolarHBondContact O-CG1 3.3Å; A92-I96 PolarHBondContact O-N 3.11Å
93R93.3Very high94.5Very high50 Ų5055.6 Ų55.619%0.18934%0.337CS..Hα-helixtrans-81.4-37.6172.9-17560.2176.8-165.7-0.4111.8S37 N38 V89 K90 D91 G95 I96 C97S37-R93 PolarHBondContact O-NH2 3.15Å; N38-R93 PolarHBondContact OD1-NH1 2.89Å; V89-R93 HydrophobicContact CG1-CB 4Å; V89-R93 HydrophobicContact CG1-CG 4.13Å; K90-R93 WeakPolarHBondContact O-CA 3.29Å; K90-R93 WeakPolarHBondContact O-CB 3.49Å; K90-R93 PolarHBondContact O-N 3.02Å; D91-R93 PolarHBondContact O-N 3.37Å; R93-G95 VanDerWaalsContact C-N 3.32Å; R93-G95 PolarHBondContact O-N 3.17Å; R93-I96 PolarHBondContact O-N 3Å; R93-C97 PolarHBondContact NE-SG 3.34Å; R93-C97 WeakPolarHBondContact O-CB 3.43Å; R93-C97 PolarHBondContact O-N 3.5Å; R93-C97 PolarHBondContact O-SG 3.47Å
94K93.4Very high94.4Very high53 Ų5355.5 Ų55.523%0.2334%0.337CS..Hα-helixtrans-54.1-49.6172.3-60.2-171.8174.41040110.4T85 E87 V89 K90 D91 I96 C97 A98T85-K94 HydrophobicContact CG2-CB 4.21Å; T85-K94 HydrophobicContact CG2-CD 3.95Å; T85-K94 HydrophobicContact CG2-CG 3.78Å; E87-K94 PolarHBondContact O-NZ 3.45Å; V89-K94 HydrophobicContact CB-CG 4.01Å; V89-K94 HydrophobicContact CG1-CG 3.67Å; V89-K94 VanDerWaalsContact O-CE 3.28Å; V89-K94 WeakPolarHBondContact O-CE 3.3Å; V89-K94 PolarHBondContact O-NZ 2.88Å; K90-K94 PolarHBondContact O-N 2.9Å; K90-K94 VanDerWaalsContact O-N 3.07Å; D91-K94 WeakPolarHBondContact O-CB 3.27Å; D91-K94 PolarHBondContact O-N 3.48Å; D91-K94 VanDerWaalsContact O-N 3.11Å; D91-K94 WeakPolarHBondContact OD1-CD 3.17Å; D91-K94 IonicContact OD1-NZ 2.74Å; D91-K94 PolarHBondContact OD1-NZ 2.98Å; K94-I96 PolarHBondContact O-N 3.3Å; K94-C97 PolarHBondContact O-N 2.99Å; K94-A98 PolarHBondContact O-N 3.28Å
95G91.8Very high94.3Very high46 Ų4657 Ų5747%0.47435%0.349SS..Hα-helixtrans-63.1-36.3178.200000114.7D91 R93 N99D91-G95 PolarHBondContact O-N 2.91Å; R93-G95 VanDerWaalsContact C-N 3.32Å; R93-G95 PolarHBondContact O-N 3.17Å; G95-N99 PolarHBondContact O-ND2 2.94Å
96I92.1Very high94.3Very high51 Ų5161 Ų6126%0.26237%0.369SS..Hα-helixtrans-66.6-49172.8-69165.3000110.4M1 A92 R93 K94 A98 N99M1-I96 HydrophobicContact CE-CD1 3.86Å; M1-I96 HydrophobicContact CE-CG1 4.34Å; A92-I96 WeakPolarHBondContact O-CD1 3.45Å; A92-I96 WeakPolarHBondContact O-CG1 3.3Å; A92-I96 PolarHBondContact O-N 3.11Å; R93-I96 PolarHBondContact O-N 3Å; K94-I96 PolarHBondContact O-N 3.3Å; I96-A98 VanDerWaalsContact C-N 3.29Å; I96-A98 PolarHBondContact O-N 2.89Å; I96-N99 PolarHBondContact O-N 3.49Å; I96-N99 PolarHBondContact O-ND2 2.94Å; I96-N99 VanDerWaalsContact O-ND2 3.08Å
97C93.8Very high94.3Very high3 Ų363.3 Ų63.32%0.0238%0.379CS..Hα-helixtrans-69.6-21.8-174-62.90000114Y33 V62 Y64 R93 K94 N99 H100Y33-C97 HydrophobicContact CE2-CB 4.39Å; V62-C97 HydrophobicContact CB-CB 4.49Å; V62-C97 HydrophobicContact CG1-CB 4Å; V62-C97 HydrophobicContact CG2-CB 4.25Å; Y64-C97 PolarHBondContact OH-O 3.13Å; R93-C97 PolarHBondContact NE-SG 3.34Å; R93-C97 WeakPolarHBondContact O-CB 3.43Å; R93-C97 PolarHBondContact O-N 3.5Å; R93-C97 PolarHBondContact O-SG 3.47Å; K94-C97 PolarHBondContact O-N 2.99Å; C97-N99 VanDerWaalsContact C-N 3.27Å; C97-N99 PolarHBondContact O-N 3.07Å; C97-H100 WeakPolarHBondContact O-CB 3.48Å; C97-H100 PolarHBondContact O-N 3.03Å
98A93.3Very high94.4Very high64 Ų6456.7 Ų56.753%0.52935%0.349SS..Hα-helixtrans-55.8-42.5171.600000111.8K94 I96 H100 V101K94-A98 PolarHBondContact O-N 3.28Å; I96-A98 VanDerWaalsContact C-N 3.29Å; I96-A98 PolarHBondContact O-N 2.89Å; A98-H100 PolarHBondContact O-N 3.22Å; A98-H100 VanDerWaalsContact O-N 3.16Å; A98-V101 WeakPolarHBondContact O-CB 3.39Å; A98-V101 WeakPolarHBondContact O-CG2 3.49Å; A98-V101 PolarHBondContact O-N 3.01Å
99N94.1Very high94.4Very high120 Ų12060.7 Ų60.764%0.64235%0.349SS*.THydrogen-bonded Turntrans-67.3-15.1177.8-49.9-73.4000113.4G95 I96 C97G95-N99 PolarHBondContact O-ND2 2.94Å; I96-N99 PolarHBondContact O-N 3.49Å; I96-N99 PolarHBondContact O-ND2 2.94Å; I96-N99 VanDerWaalsContact O-ND2 3.08Å; C97-N99 VanDerWaalsContact C-N 3.27Å; C97-N99 PolarHBondContact O-N 3.07Å
100H96.2Very high94.3Very high1 Ų162.6 Ų62.61%0.00537%0.371CS..THydrogen-bonded Turntrans-88.2-14.6179.7-57172.3000112.7V3 Y33 N38 C97 A98 S102 A103 M104V3-H100 HydrophobicContact CB-CB 3.83Å; V3-H100 HydrophobicContact CG1-CB 4.24Å; V3-H100 HydrophobicContact CG2-CB 4.32Å; Y33-H100 AromaticContact CE1-ND1 3.52Å; Y33-H100 AromaticContact CZ-ND1 3.55Å; Y33-H100 WeakPolarHBondContact OH-CB 3.4Å; Y33-H100 PolarHBondContact OH-ND1 3.03Å; N38-H100 PolarHBondContact ND2-CE1 2.87Å; N38-H100 PolarHBondContact ND2-NE2 3.33Å; C97-H100 WeakPolarHBondContact O-CB 3.48Å; C97-H100 PolarHBondContact O-N 3.03Å; A98-H100 PolarHBondContact O-N 3.22Å; A98-H100 VanDerWaalsContact O-N 3.16Å; H100-S102 PolarHBondContact O-N 3.3Å; H100-A103 PolarHBondContact O-N 3.16Å; H100-M104 PolarHBondContact O-N 3.32Å
101V95.1Very high94.3Very high41 Ų4155.8 Ų55.825%0.24835%0.348CS..Hα-helixtrans-61.1-44.6-175.8175.90000111.9Y64 N83 A98 M104 A105Y64-V101 HydrophobicContact CE1-CG2 4.3Å; N83-V101 WeakPolarHBondContact ND2-CG1 3.48Å; A98-V101 WeakPolarHBondContact O-CB 3.39Å; A98-V101 WeakPolarHBondContact O-CG2 3.49Å; A98-V101 PolarHBondContact O-N 3.01Å; V101-M104 PolarHBondContact O-N 2.74Å; V101-A105 WeakPolarHBondContact O-CB 3.4Å; V101-A105 PolarHBondContact O-N 3.1Å
102S94.8Very high94.3Very high77 Ų7754.8 Ų54.854%0.53834%0.339SS..Hα-helixtrans-60.4-48.8177.9172.40000111.9H100 M104 A105 N106H100-S102 PolarHBondContact O-N 3.3Å; S102-M104 VanDerWaalsContact C-N 3.27Å; S102-M104 PolarHBondContact O-N 2.69Å; S102-A105 PolarHBondContact O-N 3.15Å; S102-N106 WeakPolarHBondContact O-CB 3.41Å; S102-N106 PolarHBondContact O-N 3.33Å; S102-N106 PolarHBondContact O-ND2 3.2Å
103A96.2Very high94.5Very high40 Ų4051.8 Ų51.833%0.33131%0.312SS..Hα-helixtrans-62.6-32.5176.900000112.9V3 H100 F107V3-A103 HydrophobicContact CG1-CB 3.54Å; H100-A103 PolarHBondContact O-N 3.16Å; A103-F107 PolarHBondContact O-N 2.93Å
104M96.4Very high94.6Very high2 Ų253 Ų531%0.0133%0.325CS..Hα-helixtrans-71.7-42.6174-171.556.66300112.4L5 I40 Y64 H100 V101 S102 N106 F107 L108L5-M104 HydrophobicContact CD2-CE 3.65Å; I40-M104 HydrophobicContact CB-CE 4.26Å; I40-M104 HydrophobicContact CD1-CE 3.96Å; I40-M104 HydrophobicContact CG1-CE 3.67Å; I40-M104 HydrophobicContact CG2-CE 3.93Å; Y64-M104 HydrophobicContact CD1-CB 4.23Å; Y64-M104 HydrophobicContact CD1-CG 3.68Å; Y64-M104 HydrophobicContact CD2-CE 3.81Å; Y64-M104 HydrophobicContact CD2-CG 4.1Å; Y64-M104 HydrophobicContact CD2-SD 4.47Å; Y64-M104 HydrophobicContact CE1-CB 4.24Å; Y64-M104 HydrophobicContact CE1-CG 4.18Å; Y64-M104 HydrophobicContact CE2-CE 4.11Å; Y64-M104 HydrophobicContact CG-CE 4.28Å; Y64-M104 HydrophobicContact CG-CG 3.64Å; Y64-M104 HydrophobicContact CG-SD 4.37Å; H100-M104 PolarHBondContact O-N 3.32Å; V101-M104 PolarHBondContact O-N 2.74Å; S102-M104 VanDerWaalsContact C-N 3.27Å; S102-M104 PolarHBondContact O-N 2.69Å; M104-N106 VanDerWaalsContact C-N 3.34Å; M104-N106 PolarHBondContact O-N 2.73Å; M104-F107 PolarHBondContact O-N 2.73Å; M104-F107 HydrophobicContact SD-CD1 4.42Å; M104-L108 HydrophobicContact CG-CD1 3.82Å; M104-L108 HydrophobicContact CG-CG 4.39Å; M104-L108 WeakPolarHBondContact O-CB 3.43Å; M104-L108 PolarHBondContact O-N 3.4Å; M104-L108 HydrophobicContact SD-CD1 3.62Å; M104-L108 HydrophobicContact SD-CG 3.94Å
105A95.7Very high94.8Very high31 Ų3150.9 Ų50.926%0.25632%0.316SS..Hα-helixtrans-64.9-36.7176.600000112.4L81 V101 S102 F107 L108 K109L81-A105 HydrophobicContact CD2-CB 3.77Å; V101-A105 WeakPolarHBondContact O-CB 3.4Å; V101-A105 PolarHBondContact O-N 3.1Å; S102-A105 PolarHBondContact O-N 3.15Å; A105-F107 VanDerWaalsContact C-N 3.28Å; A105-F107 PolarHBondContact O-N 2.84Å; A105-L108 CarbonylContact O-C 3.47Å; A105-L108 VanDerWaalsContact O-C 3.3Å; A105-K109 PolarHBondContact O-N 2.97Å
106N95.6Very high95Very high118 Ų11854.1 Ų54.163%0.63132%0.323SS*.Hα-helixtrans-66.7-29.4174.6-68.5-11.8000112.7S102 M104S102-N106 WeakPolarHBondContact O-CB 3.41Å; S102-N106 PolarHBondContact O-N 3.33Å; S102-N106 PolarHBondContact O-ND2 3.2Å; M104-N106 VanDerWaalsContact C-N 3.34Å; M104-N106 PolarHBondContact O-N 2.73Å
107F96.2Very high95.2Very high49 Ų4951.8 Ų51.822%0.21531%0.311CS..Hα-helixtrans-78.6-50.4173.1-179.7-101.6000111.6L5 L12 A103 M104 A105 K109L5-F107 HydrophobicContact CD1-CB 3.67Å; L5-F107 HydrophobicContact CD1-CD2 4.1Å; L5-F107 HydrophobicContact CD1-CG 3.87Å; L12-F107 HydrophobicContact CB-CE1 3.77Å; L12-F107 HydrophobicContact CB-CZ 3.6Å; A103-F107 PolarHBondContact O-N 2.93Å; M104-F107 PolarHBondContact O-N 2.73Å; M104-F107 HydrophobicContact SD-CD1 4.42Å; A105-F107 VanDerWaalsContact C-N 3.28Å; A105-F107 PolarHBondContact O-N 2.84Å; F107-K109 PolarHBondContact O-N 3.39Å
108L95.8Very high95.2Very high1 Ų160 Ų601%0.00534%0.341CS..SBendtrans-84.249.1177-58.1176.7000111.6Y16 F31 F66 L81 M104 A105Y16-L108 HydrophobicContact CD2-CD2 3.62Å; Y16-L108 HydrophobicContact CE2-CD2 4.4Å; Y16-L108 HydrophobicContact CG-CD2 4.09Å; F31-L108 HydrophobicContact CD2-CD1 4.08Å; F31-L108 HydrophobicContact CD2-CD2 4.44Å; F31-L108 HydrophobicContact CE2-CD1 4.11Å; F31-L108 HydrophobicContact CE2-CD2 3.76Å; F31-L108 HydrophobicContact CZ-CD2 4.25Å; F66-L108 HydrophobicContact CB-CD1 4.24Å; F66-L108 HydrophobicContact CB-CD2 4.42Å; F66-L108 HydrophobicContact CD2-CB 3.8Å; F66-L108 HydrophobicContact CD2-CD1 4.44Å; F66-L108 HydrophobicContact CE2-CB 4.09Å; F66-L108 VanDerWaalsContact CE2-O 3.32Å; F66-L108 WeakPolarHBondContact CE2-O 3.43Å; F66-L108 HydrophobicContact CG-CB 4.48Å; F66-L108 HydrophobicContact CG-CD2 4.5Å; L81-L108 HydrophobicContact CD1-CB 4.42Å; L81-L108 HydrophobicContact CD1-CD1 3.66Å; M104-L108 HydrophobicContact CG-CD1 3.82Å; M104-L108 HydrophobicContact CG-CG 4.39Å; M104-L108 WeakPolarHBondContact O-CB 3.43Å; M104-L108 PolarHBondContact O-N 3.4Å; M104-L108 HydrophobicContact SD-CD1 3.62Å; M104-L108 HydrophobicContact SD-CG 3.94Å; A105-L108 CarbonylContact O-C 3.47Å; A105-L108 VanDerWaalsContact O-C 3.3Å
109K93.1Very high95.2Very high143 Ų14358 Ų5862%0.62232%0.324SS*.THydrogen-bonded Turntrans-63.9155.9-175.465.8178.2-176.8173.70112.3Y16 A105 F107Y16-K109 VanDerWaalsContact OH-CG 3.31Å; Y16-K109 WeakPolarHBondContact OH-CG 3.47Å; Y16-K109 PolarHBondContact OH-O 3.25Å; A105-K109 PolarHBondContact O-N 2.97Å; F107-K109 PolarHBondContact O-N 3.39Å
110G91.9Very high95.1Very high50 Ų5057.2 Ų57.252%0.51532%0.32SS..THydrogen-bonded Turntrans87.15.3-178.900000114.8H112G110-H112 PolarHBondContact O-N 3.28Å; G110-H112 PolarHBondContact O-ND1 2.79Å
111A95.5Very high94.9Very high33 Ų3364 Ų6427%0.27335%0.352SS..  trans-55121.8164.800000110.2F66 L81F66-A111 HydrophobicContact CE2-CB 4.12Å; L81-A111 HydrophobicContact CB-CB 3.7Å
112H94.7Very high94.9Very high96 Ų9664.3 Ų64.344%0.44435%0.353SS..SBendtrans-84.5-26.8174.5-68.461000111.5K78 Y79 G110K78-H112 HydrophobicContact CB-CB 4.19Å; K78-H112 HydrophobicContact CD-CB 4.44Å; K78-H112 HydrophobicContact CG-CB 4.34Å; Y79-H112 AromaticContact CD2-CE1 3.89Å; Y79-H112 AromaticContact CD2-ND1 3.9Å; Y79-H112 PolarHBondContact N-ND1 3.35Å; Y79-H112 WeakPolarHBondContact O-CB 3.29Å; Y79-H112 PolarHBondContact O-N 3.37Å; G110-H112 PolarHBondContact O-N 3.28Å; G110-H112 PolarHBondContact O-ND1 2.79Å
113V95.3Very high94.9Very high18 Ų1860.7 Ų60.711%0.10933%0.327CS..EExtended strand (participates in β ladder)trans-135.8132.7175.4-172.80000108.6Y79 V80 L81 I115 K131 V132 A135Y79-V113 PolarHBondContact O-N 3.44Å; V80-V113 WeakPolarHBondContact CA-O 3.39Å; V80-V113 HydrophobicContact CG1-CB 4.38Å; V80-V113 HydrophobicContact CG2-CB 4.38Å; L81-V113 PolarHBondContact N-O 3.06Å; V113-I115 HydrophobicContact CG1-CD1 4.38Å; V113-I115 HydrophobicContact CG1-CG1 3.9Å; V113-K131 HydrophobicContact CG1-CB 4.31Å; V113-V132 HydrophobicContact CG2-CG2 4.15Å; V113-A135 HydrophobicContact CG2-CB 3.55Å
114T96.4Very high94.9Very high77 Ų7764 Ų6447%0.47234%0.336SS..EExtended strand (participates in β ladder)trans-112.6123.2171.3-58.90000108.8L81 N83L81-T114 HydrophobicContact CB-CG2 4.47Å; L81-T114 HydrophobicContact CD2-CG2 4.19Å; L81-T114 HydrophobicContact CG-CG2 4.28Å; L81-T114 CarbonylContact O-C 3.51Å; L81-T114 WeakPolarHBondContact O-CA 3.45Å; N83-T114 VanDerWaalsContact ND2-CG2 3.32Å; N83-T114 WeakPolarHBondContact ND2-CG2 3.47Å
115I96.6Very high94.9Very high8 Ų866 Ų664%0.04135%0.349CS..EExtended strand (participates in β ladder)trans-114.3125.8-178.2-56.5178.3000108.2V80 L81 I82 N83 V113 I128 K131V80-I115 HydrophobicContact CG1-CD1 3.74Å; V80-I115 HydrophobicContact CG1-CG1 4.07Å; L81-I115 PolarHBondContact O-N 3.17Å; I82-I115 CarbonylContact C-O 3.59Å; I82-I115 WeakPolarHBondContact CA-O 3.47Å; N83-I115 PolarHBondContact N-O 3.49Å; V113-I115 HydrophobicContact CG1-CD1 4.38Å; V113-I115 HydrophobicContact CG1-CG1 3.9Å; I115-I128 HydrophobicContact CD1-CB 4.22Å; I115-I128 HydrophobicContact CD1-CG1 3.94Å; I115-I128 HydrophobicContact CD1-CG2 3.97Å; I115-K131 HydrophobicContact CD1-CB 4.46Å; I115-K131 HydrophobicContact CD1-CD 3.69Å; I115-K131 HydrophobicContact CG1-CD 4.05Å; I115-K131 HydrophobicContact CG2-CD 4.42Å
116N96.5Very high94.8Very high114 Ų11472.3 Ų72.361%0.6137%0.373SS*.EExtended strand (participates in β ladder)trans-95.8118.6168.6-63.6-28.7000107.7N83N83-N116 WeakPolarHBondContact CB-OD1 3.32Å; N83-N116 PolarHBondContact ND2-OD1 3.03Å
117A96.2Very high94.8Very high1 Ų167.8 Ų67.81%0.00835%0.352CS..EExtended strand (participates in β ladder)trans-122.2148.6-172.800000111.7I82 N83 W84 T85 D122 V123I82-A117 HydrophobicContact CG2-CB 3.98Å; N83-A117 PolarHBondContact O-N 3.43Å; W84-A117 HydrophobicContact CE3-CB 3.84Å; W84-A117 HydrophobicContact CZ3-CB 4.32Å; T85-A117 PolarHBondContact N-O 3Å; A117-D122 WeakPolarHBondContact CA-OD2 3.4Å; A117-D122 HydrophobicContact CB-CB 3.5Å; A117-V123 HydrophobicContact CB-CG1 3.5Å; A117-V123 VanDerWaalsContact CB-CG1 3.5Å
118R94.1Very high94.8Very high176 Ų17665.4 Ų65.466%0.66434%0.341SS*.  trans-134.6-34.3-179.4-66.4-176.7177.2-178.41114.4E87 D122E87-R118 WeakPolarHBondContact CG-O 3.42Å; R118-D122 PolarHBondContact N-OD2 2.95Å
119A92.6Very high94.7Very high21 Ų2167.8 Ų67.817%0.17435%0.353CS..SBendtrans-125163.9178.100000110W84 E121 D122W84-A119 WeakPolarHBondContact CZ3-O 3.34Å; A119-E121 HydrophobicContact CB-CG 3.91Å; A119-E121 PolarHBondContact O-N 3.21Å; A119-D122 PolarHBondContact N-OD2 3.1Å; A119-D122 WeakPolarHBondContact O-CB 3.45Å; A119-D122 PolarHBondContact O-N 3.19Å
120D91.3Very high94.7Very high104 Ų10468 Ų6856%0.55636%0.356SS*.G310 helixtrans-62.7-28.3-172.1-48.9-38.8000111.9W84 D122 V123 E124W84-D120 WeakPolarHBondContact CH2-OD1 3.25Å; D120-D122 VanDerWaalsContact C-N 3.27Å; D120-D122 PolarHBondContact O-N 3.28Å; D120-V123 WeakPolarHBondContact O-CG2 3.4Å; D120-V123 PolarHBondContact O-N 3.33Å; D120-V123 VanDerWaalsContact O-N 3.14Å; D120-E124 PolarHBondContact O-N 3.18Å
121E93.9Very high94.8Very high144 Ų14468.9 Ų68.967%0.67335%0.346SS*.G310 helixtrans-60.4-24.2171.757.2176.5-151.300114.8A119 V123A119-E121 HydrophobicContact CB-CG 3.91Å; A119-E121 PolarHBondContact O-N 3.21Å; E121-V123 VanDerWaalsContact C-N 3.3Å
122D94.3Very high94.8Very high48 Ų4867.3 Ų67.326%0.25733%0.333SS..G310 helixtrans-73.8-24.3176.3-80.8-54.6000112.9A117 R118 A119 D120 K131A117-D122 WeakPolarHBondContact CA-OD2 3.4Å; A117-D122 HydrophobicContact CB-CB 3.5Å; R118-D122 PolarHBondContact N-OD2 2.95Å; A119-D122 PolarHBondContact N-OD2 3.1Å; A119-D122 WeakPolarHBondContact O-CB 3.45Å; A119-D122 PolarHBondContact O-N 3.19Å; D120-D122 VanDerWaalsContact C-N 3.27Å; D120-D122 PolarHBondContact O-N 3.28Å; D122-K131 PolarHBondContact O-NZ 2.9Å
123V95.3Very high94.6Very high0 Ų063.6 Ų63.60%032%0.319CS..THydrogen-bonded Turntrans-116.30.5-167.4-64.10000113.9V54 L57 I82 W84 A117 D120 E121 I128V54-V123 HydrophobicContact CG1-CG2 4.25Å; V54-V123 HydrophobicContact CG2-CB 4.17Å; V54-V123 HydrophobicContact CG2-CG2 4.2Å; V54-V123 VanDerWaalsContact CG2-O 3.28Å; V54-V123 WeakPolarHBondContact CG2-O 3.41Å; L57-V123 HydrophobicContact CD1-CB 4.06Å; L57-V123 HydrophobicContact CD1-CG1 4.05Å; L57-V123 HydrophobicContact CD1-CG2 3.74Å; I82-V123 HydrophobicContact CG2-CG1 3.84Å; W84-V123 HydrophobicContact CE3-CG1 3.98Å; W84-V123 HydrophobicContact CZ3-CG1 4.09Å; W84-V123 HydrophobicContact CZ3-CG2 3.96Å; A117-V123 HydrophobicContact CB-CG1 3.5Å; A117-V123 VanDerWaalsContact CB-CG1 3.5Å; D120-V123 WeakPolarHBondContact O-CG2 3.4Å; D120-V123 PolarHBondContact O-N 3.33Å; D120-V123 VanDerWaalsContact O-N 3.14Å; E121-V123 VanDerWaalsContact C-N 3.3Å; V123-I128 HydrophobicContact CB-CD1 4.34Å; V123-I128 WeakPolarHBondContact O-CD1 3.34Å
124E95.9Very high94.3Very high110 Ų11071.1 Ų71.151%0.51435%0.35SS..  trans-49.2135.7169.6-71.5-174.1164.100110.8D120 E126 A127 I128D120-E124 PolarHBondContact O-N 3.18Å; E124-E126 VanDerWaalsContact C-N 3.25Å; E124-E126 PolarHBondContact O-N 2.71Å; E124-E126 VanDerWaalsContact O-N 3.16Å; E124-A127 HydrophobicContact CB-CB 4.25Å; E124-A127 WeakPolarHBondContact O-CB 3.28Å; E124-A127 PolarHBondContact O-N 3.46Å; E124-I128 PolarHBondContact O-N 2.93Å
125P95.8Very high93.9Very high43 Ų4369.6 Ų69.628%0.27935%0.346SS..Hα-helixtrans-53-40.4-177-30.235.8000113.5L50 E51 A127 I128 M129L50-P125 HydrophobicContact CB-CB 4.08Å; L50-P125 HydrophobicContact CB-CG 4.05Å; L50-P125 HydrophobicContact CD1-CB 4.19Å; E51-P125 HydrophobicContact CG-CG 4.19Å; P125-A127 PolarHBondContact O-N 2.76Å; P125-I128 PolarHBondContact O-N 3.17Å; P125-M129 VanDerWaalsContact O-CB 3.28Å; P125-M129 WeakPolarHBondContact O-CB 3.45Å; P125-M129 WeakPolarHBondContact O-CG 3.45Å; P125-M129 PolarHBondContact O-N 2.91Å
126E94.5Very high93Very high165 Ų16570.2 Ų70.277%0.77135%0.351SS*.Hα-helixtrans-62-43.2176.3-61.7-164.9179.100112.5E124 M129 Q130E124-E126 VanDerWaalsContact C-N 3.25Å; E124-E126 PolarHBondContact O-N 2.71Å; E124-E126 VanDerWaalsContact O-N 3.16Å; E126-M129 PolarHBondContact O-N 2.94Å; E126-Q130 WeakPolarHBondContact O-CB 3.38Å; E126-Q130 PolarHBondContact O-N 3.45Å
127A94.6Very high91.7Very high22 Ų2267.2 Ų67.218%0.18235%0.346CS..Hα-helixtrans-68-36.7-18000000112.3E124 P125 K131E124-A127 HydrophobicContact CB-CB 4.25Å; E124-A127 WeakPolarHBondContact O-CB 3.28Å; E124-A127 PolarHBondContact O-N 3.46Å; P125-A127 PolarHBondContact O-N 2.76Å; A127-K131 VanDerWaalsContact O-CD 3.23Å; A127-K131 WeakPolarHBondContact O-CD 3.11Å; A127-K131 WeakPolarHBondContact O-CE 3.45Å; A127-K131 VanDerWaalsContact O-CG 3.24Å; A127-K131 WeakPolarHBondContact O-CG 3.12Å; A127-K131 PolarHBondContact O-N 2.91Å
128I95.8Very high90Very high0 Ų069.1 Ų69.10%036%0.362CS..Hα-helixtrans-66.6-51171.7-64.6174.3000110L50 V80 I82 I115 V123 E124 P125 Q130 K131 V132L50-I128 HydrophobicContact CD1-CB 3.91Å; L50-I128 HydrophobicContact CD1-CD1 4.18Å; L50-I128 HydrophobicContact CD1-CG2 3.74Å; L50-I128 HydrophobicContact CD2-CD1 3.93Å; L50-I128 HydrophobicContact CD2-CG2 4.27Å; V80-I128 HydrophobicContact CG1-CG2 4.31Å; V80-I128 HydrophobicContact CG2-CG2 4.39Å; I82-I128 HydrophobicContact CD1-CD1 3.65Å; I115-I128 HydrophobicContact CD1-CB 4.22Å; I115-I128 HydrophobicContact CD1-CG1 3.94Å; I115-I128 HydrophobicContact CD1-CG2 3.97Å; V123-I128 HydrophobicContact CB-CD1 4.34Å; V123-I128 WeakPolarHBondContact O-CD1 3.34Å; E124-I128 PolarHBondContact O-N 2.93Å; P125-I128 PolarHBondContact O-N 3.17Å; I128-Q130 VanDerWaalsContact C-N 3.3Å; I128-Q130 PolarHBondContact O-N 3.15Å; I128-K131 WeakPolarHBondContact O-CA 3.34Å; I128-K131 WeakPolarHBondContact O-CB 3.49Å; I128-K131 PolarHBondContact O-N 3.32Å; I128-V132 HydrophobicContact CG2-CG2 4.31Å; I128-V132 WeakPolarHBondContact O-CG2 3.21Å; I128-V132 PolarHBondContact O-N 2.93Å
129M95.1Very high88.1Confident50 Ų5065.3 Ų65.325%0.24636%0.355CS..Hα-helixtrans-65.6-31.6-175.2-68.2-60.1-76.600112.6L50 V69 Q70 P125 E126 V132 A133L50-M129 HydrophobicContact CD1-CG 3.93Å; L50-M129 HydrophobicContact CD1-SD 4Å; V69-M129 HydrophobicContact CB-CE 4.45Å; V69-M129 HydrophobicContact CB-SD 3.85Å; V69-M129 HydrophobicContact CG1-SD 4.23Å; V69-M129 HydrophobicContact CG2-SD 3.94Å; Q70-M129 VanDerWaalsContact O-CE 3.26Å; Q70-M129 WeakPolarHBondContact O-CE 3.47Å; P125-M129 VanDerWaalsContact O-CB 3.28Å; P125-M129 WeakPolarHBondContact O-CB 3.45Å; P125-M129 WeakPolarHBondContact O-CG 3.45Å; P125-M129 PolarHBondContact O-N 2.91Å; E126-M129 PolarHBondContact O-N 2.94Å; M129-V132 PolarHBondContact O-N 2.84Å; M129-A133 WeakPolarHBondContact O-CB 3.39Å; M129-A133 PolarHBondContact O-N 2.74Å
130Q93.2Very high86.2Confident148 Ų14872.7 Ų72.769%0.69238%0.379SS*.Hα-helixtrans-63.7-41.3170.6-169-172.859.800112.2E126 I128 K134E126-Q130 WeakPolarHBondContact O-CB 3.38Å; E126-Q130 PolarHBondContact O-N 3.45Å; I128-Q130 VanDerWaalsContact C-N 3.3Å; I128-Q130 PolarHBondContact O-N 3.15Å; Q130-K134 WeakPolarHBondContact O-CB 3.32Å; Q130-K134 PolarHBondContact O-N 2.86Å
131K93.8Very high84.2Confident68 Ų6872.6 Ų72.630%0.29639%0.387SS..Hα-helixtrans-64.9-41.1175.3-64.8159.1-169.2167.50110.6V113 I115 D122 A127 I128 K134 A135V113-K131 HydrophobicContact CG1-CB 4.31Å; I115-K131 HydrophobicContact CD1-CB 4.46Å; I115-K131 HydrophobicContact CD1-CD 3.69Å; I115-K131 HydrophobicContact CG1-CD 4.05Å; I115-K131 HydrophobicContact CG2-CD 4.42Å; D122-K131 PolarHBondContact O-NZ 2.9Å; A127-K131 VanDerWaalsContact O-CD 3.23Å; A127-K131 WeakPolarHBondContact O-CD 3.11Å; A127-K131 WeakPolarHBondContact O-CE 3.45Å; A127-K131 VanDerWaalsContact O-CG 3.24Å; A127-K131 WeakPolarHBondContact O-CG 3.12Å; A127-K131 PolarHBondContact O-N 2.91Å; I128-K131 WeakPolarHBondContact O-CA 3.34Å; I128-K131 WeakPolarHBondContact O-CB 3.49Å; I128-K131 PolarHBondContact O-N 3.32Å; K131-K134 PolarHBondContact O-N 3.17Å; K131-A135 WeakPolarHBondContact O-CB 3.41Å; K131-A135 PolarHBondContact O-N 2.76Å
132V94.2Very high82.2Confident0 Ų074 Ų740%039%0.391CS..Hα-helixtrans-63.1-48.5175.7174.20000112.5V69 D71 K78 V80 V113 I128 M129 K134 A135 S136V69-V132 HydrophobicContact CG2-CG1 4.11Å; V69-V132 HydrophobicContact CG2-CG2 4.01Å; D71-V132 HydrophobicContact CB-CG1 4.35Å; K78-V132 HydrophobicContact CB-CG1 4.21Å; K78-V132 HydrophobicContact CD-CG1 3.88Å; V80-V132 HydrophobicContact CG2-CG2 3.49Å; V80-V132 VanDerWaalsContact CG2-CG2 3.49Å; V113-V132 HydrophobicContact CG2-CG2 4.15Å; I128-V132 HydrophobicContact CG2-CG2 4.31Å; I128-V132 WeakPolarHBondContact O-CG2 3.21Å; I128-V132 PolarHBondContact O-N 2.93Å; M129-V132 PolarHBondContact O-N 2.84Å; V132-K134 VanDerWaalsContact C-N 3.35Å; V132-K134 PolarHBondContact O-N 3.25Å; V132-A135 CarbonylContact O-C 3.58Å; V132-A135 PolarHBondContact O-N 3.49Å; V132-S136 PolarHBondContact O-N 2.86Å; V132-S136 VanDerWaalsContact O-N 3.11Å
133A91.1Very high79.8Confident18 Ų1880.6 Ų80.615%0.14942%0.42CS..Hα-helixtrans-59.6-44.9177.400000111.6P72 N73 M129 A135 S136P72-A133 HydrophobicContact CG-CB 3.78Å; N73-A133 PolarHBondContact ND2-O 2.99Å; M129-A133 WeakPolarHBondContact O-CB 3.39Å; M129-A133 PolarHBondContact O-N 2.74Å; A133-A135 VanDerWaalsContact C-N 3.32Å; A133-A135 PolarHBondContact O-N 2.95Å; A133-S136 VanDerWaalsContact O-CB 3.24Å; A133-S136 WeakPolarHBondContact O-CB 3.37Å; A133-S136 PolarHBondContact O-N 2.97Å; A133-S136 VanDerWaalsContact O-N 3.11Å
134K89.9Confident77.6Confident176 Ų17689.4 Ų89.477%0.76546%0.458SS*.Hα-helixtrans-61.7-40.2176.1-172176.8179.6-178.40111.9Q130 K131 V132 S136Q130-K134 WeakPolarHBondContact O-CB 3.32Å; Q130-K134 PolarHBondContact O-N 2.86Å; K131-K134 PolarHBondContact O-N 3.17Å; V132-K134 VanDerWaalsContact C-N 3.35Å; V132-K134 PolarHBondContact O-N 3.25Å; K134-S136 PolarHBondContact O-N 2.87Å
135A86.7Confident75.2Confident46 Ų4692.9 Ų92.938%0.3848%0.475SS..THydrogen-bonded Turntrans-80.912.8175.700000114.5K78 V113 K131 V132 A133K78-A135 PolarHBondContact NZ-O 2.94Å; V113-A135 HydrophobicContact CG2-CB 3.55Å; K131-A135 WeakPolarHBondContact O-CB 3.41Å; K131-A135 PolarHBondContact O-N 2.76Å; V132-A135 CarbonylContact O-C 3.58Å; V132-A135 PolarHBondContact O-N 3.49Å; A133-A135 VanDerWaalsContact C-N 3.32Å; A133-A135 PolarHBondContact O-N 2.95Å
136S78.5Confident72.7Confident21 Ų2195 Ų9515%0.14750%0.495CS..THydrogen-bonded Turntrans-80.3-29.7176.1-164.90000114D71 K78 V132 A133 K134 A138D71-S136 WeakPolarHBondContact OD1-CB 3.2Å; D71-S136 PolarHBondContact OD1-OG 3.01Å; D71-S136 WeakPolarHBondContact OD2-CB 3.39Å; D71-S136 PolarHBondContact OD2-OG 2.9Å; K78-S136 WeakPolarHBondContact CE-OG 3.27Å; V132-S136 PolarHBondContact O-N 2.86Å; V132-S136 VanDerWaalsContact O-N 3.11Å; A133-S136 VanDerWaalsContact O-CB 3.24Å; A133-S136 WeakPolarHBondContact O-CB 3.37Å; A133-S136 PolarHBondContact O-N 2.97Å; A133-S136 VanDerWaalsContact O-N 3.11Å; K134-S136 PolarHBondContact O-N 2.87Å; S136-A138 PolarHBondContact O-N 2.85Å
137G69.1Low70.5Confident50 Ų5092.8 Ų92.852%0.51550%0.498SS..SBendtrans72.4-25.4-168.900000113.1N139 Y140G137-N139 PolarHBondContact O-N 3.39Å; G137-Y140 WeakPolarHBondContact O-CE2 3.19Å
138A60.9Low68.2Low41 Ų4199.2 Ų99.234%0.33953%0.529SS..  trans-65.826.3175.200000115.6N73 S136 Y140N73-A138 HydrophobicContact CB-CB 4.08Å; S136-A138 PolarHBondContact O-N 2.85Å; A138-Y140 PolarHBondContact O-N 3.45Å; A138-Y140 VanDerWaalsContact O-N 3.08Å
139N54.7Low65.9Low96 Ų96109.9 Ų109.951%0.51357%0.57SS.*  trans-79.725.1176-65.6-50.9000112.7G137 S141G137-N139 PolarHBondContact O-N 3.39Å; N139-S141 PolarHBondContact O-N 2.74Å
140Y52.6Low63.7Low176 Ų176116 Ų11669%0.6960%0.595SS**  trans-81.898.2179.7-70.9-74.7000110.6G137 A138 F142G137-Y140 WeakPolarHBondContact O-CE2 3.19Å; A138-Y140 PolarHBondContact O-N 3.45Å; A138-Y140 VanDerWaalsContact O-N 3.08Å; Y140-F142 HydrophobicContact CD1-CD2 4.36Å; Y140-F142 AromaticContact CD1-CE2 3.83Å; Y140-F142 HydrophobicContact CD1-CE2 3.83Å; Y140-F142 HydrophobicContact CG-CE2 4.47Å; Y140-F142 PolarHBondContact O-N 3.12Å
141S48.7Very low61.7Low103 Ų103117 Ų11772%0.7260%0.6SS**  trans-75.426.3-177.254.10000115.3N139 H143 K144N139-S141 PolarHBondContact O-N 2.74Å; S141-H143 PolarHBondContact O-N 2.93Å; S141-K144 PolarHBondContact O-N 2.78Å
142F51Low59.5Low172 Ų172119.5 Ų119.575%0.75462%0.617SS**THydrogen-bonded Turntrans-69117.7169-57-60.9000108.9Y140Y140-F142 HydrophobicContact CD1-CD2 4.36Å; Y140-F142 AromaticContact CD1-CE2 3.83Å; Y140-F142 HydrophobicContact CD1-CE2 3.83Å; Y140-F142 HydrophobicContact CG-CE2 4.47Å; Y140-F142 PolarHBondContact O-N 3.12Å
143H45.6Very low57.6Low187 Ų187125.4 Ų125.487%0.86666%0.658SS**THydrogen-bonded Turntrans62.750.2-171.3-62.8-68.7000116.5S141S141-H143 PolarHBondContact O-N 2.93Å
144K47.2Very low55.9Low185 Ų185126.2 Ų126.280%0.80467%0.668SS**  trans-119.318.3147.7-122.8172.6-171.4170.30114.8S141 A146S141-K144 PolarHBondContact O-N 2.78Å; K144-A146 PolarHBondContact O-N 2.8Å
145E45.8Very low54.4Low184 Ų184124.1 Ų124.186%0.8667%0.673SS**SBendtrans-58.6121.1149.9-70-167.1143.500108.1
146A44.8Very low52.8Low86 Ų86131.8 Ų131.871%0.71170%0.7SS**  trans-59.2149.1173.500000109.7K144 N148K144-A146 PolarHBondContact O-N 2.8Å; A146-N148 PolarHBondContact O-N 2.85Å
147S47.2Very low52Low119 Ų119133 Ų13383%0.83272%0.717SS**  trans-73.460.317952.60000112.6R149S147-R149 PolarHBondContact O-N 2.85Å
148N45.9Very low51.3Low157 Ų157137.3 Ų137.384%0.8474%0.736SS**  trans-56.992.1156.9-108.6-0.3000107.2A146 F150A146-N148 PolarHBondContact O-N 2.85Å; N148-F150 VanDerWaalsContact C-N 3.31Å; N148-F150 PolarHBondContact O-N 2.77Å
149R48.1Very low50.8Low224 Ų224142.3 Ų142.385%0.84576%0.761SS**  trans-58.7101.8164-75.1-178.1176.3170-0.7106.6S147 Q151S147-R149 PolarHBondContact O-N 2.85Å; R149-Q151 HydrophobicContact CB-CG 4.49Å; R149-Q151 PolarHBondContact O-N 3.28Å
150F47.8Very low51.1Low179 Ų179140.4 Ų140.479%0.78577%0.765SS**  trans-60.892.9162.1-178-102.7000107N148 D152N148-F150 VanDerWaalsContact C-N 3.31Å; N148-F150 PolarHBondContact O-N 2.77Å; F150-D152 HydrophobicContact CD1-CB 3.98Å; F150-D152 HydrophobicContact CE1-CB 3.69Å; F150-D152 PolarHBondContact O-N 2.72Å
151Q52.9Low51.3Low170 Ų170137.9 Ų137.979%0.79477%0.773SS**  trans-73.688.2172.5-70.3-167.1-68.700107.1R149 S153R149-Q151 HydrophobicContact CB-CG 4.49Å; R149-Q151 PolarHBondContact O-N 3.28Å; Q151-S153 VanDerWaalsContact C-N 3.26Å; Q151-S153 PolarHBondContact O-N 3.37Å
152D45.9Very low51.7Low120 Ų120139.1 Ų139.164%0.64278%0.776SS**  trans-64.590.5169.4-171.72.6000109.1F150 G154F150-D152 HydrophobicContact CD1-CB 3.98Å; F150-D152 HydrophobicContact CE1-CB 3.69Å; F150-D152 PolarHBondContact O-N 2.72Å; D152-G154 PolarHBondContact O-N 2.91Å; D152-G154 VanDerWaalsContact O-N 3.12Å; D152-G154 WeakPolarHBondContact OD1-CA 3.38Å; D152-G154 PolarHBondContact OD1-N 3.19Å
153S55.1Low51.8Low124 Ų124139.7 Ų139.787%0.86777%0.774SS**  trans-8138169.866.30000111.3Q151Q151-S153 VanDerWaalsContact C-N 3.26Å; Q151-S153 PolarHBondContact O-N 3.37Å
154G56Low52.7Low35 Ų35138.6 Ų138.636%0.36177%0.77SS.*  trans-69.4145.2171.500000112.1D152 Q156D152-G154 PolarHBondContact O-N 2.91Å; D152-G154 VanDerWaalsContact O-N 3.12Å; D152-G154 WeakPolarHBondContact OD1-CA 3.38Å; D152-G154 PolarHBondContact OD1-N 3.19Å; G154-Q156 PolarHBondContact O-N 2.94Å
155P58.1Low53.6Low132 Ų132137.9 Ų137.986%0.85777%0.766SS**  trans-71.3120.3-177.428.1-33.8000111.5G157P155-G157 PolarHBondContact O-N 3.26Å
156Q53.9Low54.3Low206 Ų206133.8 Ų133.896%0.96375%0.754SS**  trans-70.987.4173.5-68.7-174.3-7.100111.1G154G154-Q156 PolarHBondContact O-N 2.94Å
157G60.3Low55.3Low48 Ų48134.5 Ų134.550%0.49575%0.746SS.*  trans-121.4161.1169.400000111.8P155 V159P155-G157 PolarHBondContact O-N 3.26Å; G157-V159 PolarHBondContact O-N 3.04Å; G157-V159 VanDerWaalsContact O-N 3.08Å
158P55.7Low55.9Low140 Ų140131.5 Ų131.591%0.90973%0.729SS**  trans-64.2110.9178.4-20.933.5000111.6G160P158-G160 PolarHBondContact O-N 3.44Å; P158-G160 VanDerWaalsContact O-N 3.14Å
159V50Low56.6Low145 Ų145130 Ų13088%0.87972%0.718SS**  trans-74.8101.2-180-79.10000111.8G157G157-V159 PolarHBondContact O-N 3.04Å; G157-V159 VanDerWaalsContact O-N 3.08Å
160G61.2Low57.1Low57 Ų57121.9 Ų121.959%0.58870%0.696SS**  trans-66150.2159.600000110.9P158 V162P158-G160 PolarHBondContact O-N 3.44Å; P158-G160 VanDerWaalsContact O-N 3.14Å; G160-V162 PolarHBondContact O-N 3.07Å
161S55.6Low57.8Low123 Ų123118.3 Ų118.386%0.8668%0.681SS**  trans-73.882.2-173.458.60000113.1Y163S161-Y163 VanDerWaalsContact C-N 3.29Å; S161-Y163 PolarHBondContact O-N 3.45Å
162V58.1Low58.1Low129 Ų129115.4 Ų115.478%0.78267%0.67SS**  trans-81.671.6174.7-171.40000110.6G160 Q164G160-V162 PolarHBondContact O-N 3.07Å; V162-Q164 PolarHBondContact O-N 3.11Å
163Y52.7Low58.7Low183 Ų183119.7 Ų119.772%0.71868%0.677SS**  trans-7799.9169.5179.7-101.7000110.2S161 K165S161-Y163 VanDerWaalsContact C-N 3.29Å; S161-Y163 PolarHBondContact O-N 3.45Å; Y163-K165 HydrophobicContact CE1-CB 3.85Å; Y163-K165 HydrophobicContact CE1-CG 4.43Å
164Q63.9Low58.9Low165 Ų165121.8 Ų121.877%0.77167%0.671SS**  trans-96.4128.4158.3-73.8-167-14.800109.3V162 T166V162-Q164 PolarHBondContact O-N 3.11Å; Q164-T166 PolarHBondContact O-N 3.27Å; Q164-T166 VanDerWaalsContact O-N 3.11Å
165K66.6Low59Low169 Ų169124.1 Ų124.174%0.73568%0.678SS**  trans-78.995.3-179-173.1169.6-175.5175.70110.3Y163 N167Y163-K165 HydrophobicContact CE1-CB 3.85Å; Y163-K165 HydrophobicContact CE1-CG 4.43Å; K165-N167 PolarHBondContact O-N 3.43Å
166T59.6Low59.1Low99 Ų99123.6 Ų123.661%0.60767%0.668SS**  trans-54.2122.9177.4-49.40000111.1Q164 A168 E171Q164-T166 PolarHBondContact O-N 3.27Å; Q164-T166 VanDerWaalsContact O-N 3.11Å; T166-A168 PolarHBondContact O-N 3.29Å; T166-E171 VanDerWaalsContact CG2-CD 3.49Å; T166-E171 WeakPolarHBondContact CG2-OE2 3.45Å
167N66.6Low59.5Low101 Ų101119.3 Ų119.354%0.5465%0.646SS.*  trans-95.493.2178.9-176.8-7.7000109.3K165 M169 S170K165-N167 PolarHBondContact O-N 3.43Å; N167-M169 PolarHBondContact O-N 3.48Å; N167-M169 VanDerWaalsContact O-N 3.09Å; N167-M169 PolarHBondContact OD1-N 2.82Å; N167-S170 WeakPolarHBondContact O-CA 3.4Å; N167-S170 WeakPolarHBondContact O-CB 3.36Å; N167-S170 PolarHBondContact O-N 3.28Å; N167-S170 PolarHBondContact O-OG 3.43Å
168A60.1Low59.7Low56 Ų56123.4 Ų123.446%0.46366%0.657SS.*THydrogen-bonded Turntrans-51.4-35.9-174.100000113.8T166 S170 E171 I172T166-A168 PolarHBondContact O-N 3.29Å; A168-S170 PolarHBondContact O-N 3.2Å; A168-S170 VanDerWaalsContact O-N 3.13Å; A168-E171 PolarHBondContact O-N 3.3Å; A168-I172 WeakPolarHBondContact O-CG1 3.37Å; A168-I172 PolarHBondContact O-N 2.91Å
169M59.4Low60.6Low125 Ų125121.5 Ų121.562%0.61664%0.639SS**Hα-helixtrans-60.9-21.9176.4-71.9-72.8-80.100113.8N167N167-M169 PolarHBondContact O-N 3.48Å; N167-M169 VanDerWaalsContact O-N 3.09Å; N167-M169 PolarHBondContact OD1-N 2.82Å
170S60.5Low61.4Low54 Ų54121.1 Ų121.138%0.37863%0.626SS.*Hα-helixtrans-91.7-10.9177.274.40000114.2N167 A168 K174N167-S170 WeakPolarHBondContact O-CA 3.4Å; N167-S170 WeakPolarHBondContact O-CB 3.36Å; N167-S170 PolarHBondContact O-N 3.28Å; N167-S170 PolarHBondContact O-OG 3.43Å; A168-S170 PolarHBondContact O-N 3.2Å; A168-S170 VanDerWaalsContact O-N 3.13Å; S170-K174 WeakPolarHBondContact O-CD 3.26Å; S170-K174 WeakPolarHBondContact O-CG 3.31Å
171E61.7Low61.7Low103 Ų103125.7 Ų125.748%0.48163%0.625SS.*Hα-helixtrans-99-41.4175.8-66.7-177138.900111.3T166 A168 R173 K174 T175T166-E171 VanDerWaalsContact CG2-CD 3.49Å; T166-E171 WeakPolarHBondContact CG2-OE2 3.45Å; A168-E171 PolarHBondContact O-N 3.3Å; E171-R173 PolarHBondContact O-N 2.96Å; E171-K174 WeakPolarHBondContact O-CB 3.38Å; E171-K174 PolarHBondContact O-N 3.17Å; E171-T175 PolarHBondContact O-N 3.44Å
172I58.5Low62.9Low110 Ų110122.2 Ų122.256%0.56460%0.604SS**Hα-helixtrans-54.7-37.1174.1-65.2163.8000111A168 T175A168-I172 WeakPolarHBondContact O-CG1 3.37Å; A168-I172 PolarHBondContact O-N 2.91Å; I172-T175 PolarHBondContact O-OG1 2.79Å
173R58.7Low64Low210 Ų210122.6 Ų122.679%0.79260%0.597SS**THydrogen-bonded Turntrans-77.6-10.2175.8-71.2-177.3174.8-173.7-0.7115.3E171E171-R173 PolarHBondContact O-N 2.96Å
174K59.2Low65.3Low167 Ų167115.9 Ų115.973%0.72658%0.579SS**THydrogen-bonded Turntrans-89.5-33.7174.6-75173.7-178.8173.90111.8S170 E171 N176S170-K174 WeakPolarHBondContact O-CD 3.26Å; S170-K174 WeakPolarHBondContact O-CG 3.31Å; E171-K174 WeakPolarHBondContact O-CB 3.38Å; E171-K174 PolarHBondContact O-N 3.17Å; K174-N176 PolarHBondContact O-N 3.27Å
175T59Low66.2Low84 Ų84114.8 Ų114.852%0.51557%0.574SS.*SBendtrans-70.4119.316948.80000109.2E171 I172 K177E171-T175 PolarHBondContact O-N 3.44Å; I172-T175 PolarHBondContact O-OG1 2.79Å; T175-K177 PolarHBondContact O-N 3.45Å
176N60.4Low67.3Low121 Ų121113.8 Ų113.865%0.64757%0.57SS**  trans-77.245.9178.1-144.31.5000111K174 D178 N179 F180K174-N176 PolarHBondContact O-N 3.27Å; N176-D178 PolarHBondContact O-N 3.37Å; N176-N179 PolarHBondContact ND2-ND2 3.5Å; N176-N179 PolarHBondContact O-N 3.15Å; N176-N179 PolarHBondContact OD1-ND2 2.96Å; N176-F180 PolarHBondContact O-N 2.82Å
177K60.5Low68.5Low117 Ų117115.7 Ų115.751%0.50957%0.572SS.*Hα-helixtrans-64.5-38.6-163.2-176.5172.3177.5179.90111.9T175 N179 F180 W181T175-K177 PolarHBondContact O-N 3.45Å; K177-N179 VanDerWaalsContact C-N 3.33Å; K177-N179 PolarHBondContact O-N 2.91Å; K177-F180 WeakPolarHBondContact O-CB 3.22Å; K177-F180 PolarHBondContact O-N 3.46Å; K177-F180 VanDerWaalsContact O-N 3.13Å; K177-W181 PolarHBondContact O-N 2.91Å
178D66.3Low69.4Low134 Ų134114.5 Ų114.572%0.71756%0.563SS**Hα-helixtrans-66.1-37.1-179-48.9-21.5000111.2N176 W181 A182N176-D178 PolarHBondContact O-N 3.37Å; D178-W181 PolarHBondContact O-N 3.2Å; D178-A182 VanDerWaalsContact O-CB 3.29Å; D178-A182 WeakPolarHBondContact O-CB 3.44Å; D178-A182 PolarHBondContact O-N 2.99Å
179N73.8Confident70.8Confident99 Ų99118.1 Ų118.153%0.52957%0.571SS.*Hα-helixtrans-67.2-34.7173.1-78.4-41.7000112.4N176 K177 Q183N176-N179 PolarHBondContact ND2-ND2 3.5Å; N176-N179 PolarHBondContact O-N 3.15Å; N176-N179 PolarHBondContact OD1-ND2 2.96Å; K177-N179 VanDerWaalsContact C-N 3.33Å; K177-N179 PolarHBondContact O-N 2.91Å; N179-Q183 VanDerWaalsContact O-CB 3.23Å; N179-Q183 WeakPolarHBondContact O-CB 3.23Å; N179-Q183 PolarHBondContact O-N 2.87Å
180F67.4Low72.4Confident138 Ų138118.1 Ų118.161%0.60557%0.567SS**Hα-helixtrans-66.7-46.8175.3179.3-93.2000111.6N176 K177 Q183 A184N176-F180 PolarHBondContact O-N 2.82Å; K177-F180 WeakPolarHBondContact O-CB 3.22Å; K177-F180 PolarHBondContact O-N 3.46Å; K177-F180 VanDerWaalsContact O-N 3.13Å; F180-Q183 PolarHBondContact O-N 3.4Å; F180-A184 WeakPolarHBondContact O-CB 3.41Å; F180-A184 PolarHBondContact O-N 2.95Å
181W67.6Low73.9Confident152 Ų152122.4 Ų122.458%0.57658%0.575SS**Hα-helixtrans-64.7-45.6176.8-69.6112.2000112.3K177 D178 Q183 A184 E185K177-W181 PolarHBondContact O-N 2.91Å; D178-W181 PolarHBondContact O-N 3.2Å; W181-Q183 PolarHBondContact O-N 3.09Å; W181-A184 PolarHBondContact O-N 2.72Å; W181-E185 VanDerWaalsContact O-CB 3.29Å; W181-E185 WeakPolarHBondContact O-CB 3.4Å; W181-E185 PolarHBondContact O-N 3.47Å
182A80.9Confident75.1Confident50 Ų50124.5 Ų124.541%0.41358%0.579SS.*Hα-helixtrans-63.1-28.3176.600000113.1D178 K186D178-A182 VanDerWaalsContact O-CB 3.29Å; D178-A182 WeakPolarHBondContact O-CB 3.44Å; D178-A182 PolarHBondContact O-N 2.99Å; A182-K186 WeakPolarHBondContact O-CB 3.46Å; A182-K186 PolarHBondContact O-N 2.91Å
183Q79.7Confident76.7Confident138 Ų138124.3 Ų124.365%0.64558%0.578SS**Hα-helixtrans-76.2-42.2173.8-174.4168.5-12.900111.9N179 F180 W181 K186 E187N179-Q183 VanDerWaalsContact O-CB 3.23Å; N179-Q183 WeakPolarHBondContact O-CB 3.23Å; N179-Q183 PolarHBondContact O-N 2.87Å; F180-Q183 PolarHBondContact O-N 3.4Å; W181-Q183 PolarHBondContact O-N 3.09Å; Q183-K186 PolarHBondContact O-N 3.44Å; Q183-E187 WeakPolarHBondContact O-CB 3.37Å; Q183-E187 PolarHBondContact O-N 2.97Å
184A80.6Confident78.2Confident41 Ų41117.6 Ų117.634%0.33956%0.556SS.*Hα-helixtrans-66.7-43.5176.900000112.6F180 W181 K186 E187 E188F180-A184 WeakPolarHBondContact O-CB 3.41Å; F180-A184 PolarHBondContact O-N 2.95Å; W181-A184 PolarHBondContact O-N 2.72Å; A184-K186 VanDerWaalsContact C-N 3.32Å; A184-K186 PolarHBondContact O-N 2.99Å; A184-E187 PolarHBondContact O-N 3.19Å; A184-E188 PolarHBondContact O-N 3.01Å
185E83.9Confident79.5Confident142 Ų142112.9 Ų112.966%0.66454%0.538SS*.Hα-helixtrans-58-44.5174.8179.6176.8-144.800111.2W181 E188 E189W181-E185 VanDerWaalsContact O-CB 3.29Å; W181-E185 WeakPolarHBondContact O-CB 3.4Å; W181-E185 PolarHBondContact O-N 3.47Å; E185-E188 PolarHBondContact O-N 2.59Å; E185-E189 WeakPolarHBondContact O-CB 3.34Å; E185-E189 PolarHBondContact O-N 3.14Å
186K88Confident81Confident149 Ų149116.1 Ų116.165%0.64854%0.541SS*.Hα-helixtrans-70.6-29.8178.4-169.5168.9-170.7166.30113.6A182 Q183 A184 K190A182-K186 WeakPolarHBondContact O-CB 3.46Å; A182-K186 PolarHBondContact O-N 2.91Å; Q183-K186 PolarHBondContact O-N 3.44Å; A184-K186 VanDerWaalsContact C-N 3.32Å; A184-K186 PolarHBondContact O-N 2.99Å; K186-K190 WeakPolarHBondContact O-CB 3.18Å; K186-K190 PolarHBondContact O-N 3.07Å; K186-K190 VanDerWaalsContact O-N 3.1Å
187E85.4Confident82.7Confident139 Ų139116.8 Ų116.865%0.6554%0.535SS*.Hα-helixtrans-72.8-39.1172-174.6159.8-15000111.4Q183 A184 K190 R191Q183-E187 WeakPolarHBondContact O-CB 3.37Å; Q183-E187 PolarHBondContact O-N 2.97Å; A184-E187 PolarHBondContact O-N 3.19Å; E187-K190 PolarHBondContact O-N 3Å; E187-R191 PolarHBondContact O-N 3.41Å
188E85.3Confident84.2Confident75 Ų75116.3 Ų116.335%0.3553%0.533SS..Hα-helixtrans-67.9-43.7173-165.1-175.4177.300112.2A184 E185 K190 R191 R192A184-E188 PolarHBondContact O-N 3.01Å; E185-E188 PolarHBondContact O-N 2.59Å; E188-K190 VanDerWaalsContact C-N 3.27Å; E188-K190 PolarHBondContact O-N 2.75Å; E188-R191 PolarHBondContact O-N 3.17Å; E188-R191 VanDerWaalsContact O-N 3.11Å; E188-R192 VanDerWaalsContact CD-NH2 3.25Å; E188-R192 HydrophobicContact CG-CG 4.3Å; E188-R192 WeakPolarHBondContact O-CB 3.5Å; E188-R192 WeakPolarHBondContact O-CG 3.33Å; E188-R192 PolarHBondContact O-N 2.82Å; E188-R192 IonicContact OE1-CZ 3.22Å; E188-R192 IonicContact OE1-NE 3.88Å; E188-R192 PolarHBondContact OE1-NE 3.02Å; E188-R192 IonicContact OE1-NH2 2.85Å; E188-R192 PolarHBondContact OE1-NH2 3.23Å; E188-R192 IonicContact OE2-NH2 2.69Å; E188-R192 PolarHBondContact OE2-NH2 2.76Å
189E90.1Very high85.4Confident133 Ų133112.6 Ų112.662%0.62152%0.521SS*.Hα-helixtrans-55.1-46.2173.6-173.8-171.1-153.700110.5E185 R191 R192 L193E185-E189 WeakPolarHBondContact O-CB 3.34Å; E185-E189 PolarHBondContact O-N 3.14Å; E189-R191 PolarHBondContact O-N 2.86Å; E189-R192 PolarHBondContact O-N 3.16Å; E189-L193 WeakPolarHBondContact O-CB 3.23Å; E189-L193 PolarHBondContact O-N 3.18Å
190K92.9Very high86.3Confident124 Ų124112.6 Ų112.654%0.53952%0.517SS..Hα-helixtrans-61.3-42176.1-173.9174.8178.8-83.30112.2K186 E187 E188 L193 E194K186-K190 WeakPolarHBondContact O-CB 3.18Å; K186-K190 PolarHBondContact O-N 3.07Å; K186-K190 VanDerWaalsContact O-N 3.1Å; E187-K190 PolarHBondContact O-N 3Å; E188-K190 VanDerWaalsContact C-N 3.27Å; E188-K190 PolarHBondContact O-N 2.75Å; K190-L193 PolarHBondContact O-N 3Å; K190-E194 WeakPolarHBondContact CE-OE1 3.28Å; K190-E194 IonicContact NZ-OE1 3.84Å; K190-E194 PolarHBondContact NZ-OE1 2.93Å; K190-E194 WeakPolarHBondContact O-CG 3.44Å; K190-E194 PolarHBondContact O-N 2.92Å
191R91.3Very high87.6Confident144 Ų144110.7 Ų110.754%0.54351%0.51SS..Hα-helixtrans-62.6-49.5175.6-160.8-169.278.9-140-3.9111.2E187 E188 E189 L193 E194 D195E187-R191 PolarHBondContact O-N 3.41Å; E188-R191 PolarHBondContact O-N 3.17Å; E188-R191 VanDerWaalsContact O-N 3.11Å; E189-R191 PolarHBondContact O-N 2.86Å; R191-L193 PolarHBondContact O-N 2.91Å; R191-E194 PolarHBondContact O-N 2.81Å; R191-E194 VanDerWaalsContact O-N 3.15Å; R191-D195 IonicContact NE-OD2 2.68Å; R191-D195 VanDerWaalsContact O-CG 3.32Å; R191-D195 PolarHBondContact O-N 3.32Å
192R87Confident88.8Confident148 Ų148109.5 Ų109.556%0.55851%0.511SS*.Hα-helixtrans-57.9-36176.4-69.2174.7-178.6-162.56111.8E188 E189 R196E188-R192 VanDerWaalsContact CD-NH2 3.25Å; E188-R192 HydrophobicContact CG-CG 4.3Å; E188-R192 WeakPolarHBondContact O-CB 3.5Å; E188-R192 WeakPolarHBondContact O-CG 3.33Å; E188-R192 PolarHBondContact O-N 2.82Å; E188-R192 IonicContact OE1-CZ 3.22Å; E188-R192 IonicContact OE1-NE 3.88Å; E188-R192 PolarHBondContact OE1-NE 3.02Å; E188-R192 IonicContact OE1-NH2 2.85Å; E188-R192 PolarHBondContact OE1-NH2 3.23Å; E188-R192 IonicContact OE2-NH2 2.69Å; E188-R192 PolarHBondContact OE2-NH2 2.76Å; E189-R192 PolarHBondContact O-N 3.16Å; R192-R196 VanDerWaalsContact O-CB 3.31Å; R192-R196 WeakPolarHBondContact O-CB 3.49Å; R192-R196 PolarHBondContact O-N 3.24Å
193L92.3Very high89.2Confident106 Ų106115.3 Ų115.356%0.55552%0.522SS*.Hα-helixtrans-72-42.4175.8-171.368.9000112.4E189 K190 R191 R196 R197E189-L193 WeakPolarHBondContact O-CB 3.23Å; E189-L193 PolarHBondContact O-N 3.18Å; K190-L193 PolarHBondContact O-N 3Å; R191-L193 PolarHBondContact O-N 2.91Å; L193-R196 PolarHBondContact O-N 3.33Å; L193-R197 WeakPolarHBondContact O-CB 3.48Å; L193-R197 PolarHBondContact O-N 3.08Å
194E89.9Confident89.9Confident69 Ų69113.1 Ų113.132%0.32251%0.512SS..Hα-helixtrans-65.5-39.3175.5-75.7-177.8-156.600112.2K190 R191 R197 K198K190-E194 WeakPolarHBondContact CE-OE1 3.28Å; K190-E194 IonicContact NZ-OE1 3.84Å; K190-E194 PolarHBondContact NZ-OE1 2.93Å; K190-E194 WeakPolarHBondContact O-CG 3.44Å; K190-E194 PolarHBondContact O-N 2.92Å; R191-E194 PolarHBondContact O-N 2.81Å; R191-E194 VanDerWaalsContact O-N 3.15Å; E194-R197 PolarHBondContact O-N 2.86Å; E194-K198 WeakPolarHBondContact O-CG 3.39Å; E194-K198 PolarHBondContact O-N 3.01Å
195D86.8Confident90.6Very high67 Ų67117.8 Ų117.836%0.35853%0.525SS..Hα-helixtrans-69.1-40.3176.4-65-27.3000111.6R191 R197 K198 A199R191-D195 IonicContact NE-OD2 2.68Å; R191-D195 VanDerWaalsContact O-CG 3.32Å; R191-D195 PolarHBondContact O-N 3.32Å; D195-R197 VanDerWaalsContact C-N 3.34Å; D195-R197 PolarHBondContact O-N 2.91Å; D195-K198 PolarHBondContact O-N 3.45Å; D195-K198 IonicContact OD1-NZ 2.8Å; D195-K198 PolarHBondContact OD1-NZ 3.16Å; D195-A199 PolarHBondContact O-N 3.38Å
196R91.1Very high90.9Very high152 Ų152115.9 Ų115.957%0.57452%0.519SS*.Hα-helixtrans-58.9-43.8169.7-174-176.7-60168.92.7111.7R192 L193 K198 A199 E200R192-R196 VanDerWaalsContact O-CB 3.31Å; R192-R196 WeakPolarHBondContact O-CB 3.49Å; R192-R196 PolarHBondContact O-N 3.24Å; L193-R196 PolarHBondContact O-N 3.33Å; R196-K198 PolarHBondContact O-N 2.8Å; R196-A199 PolarHBondContact O-N 3.2Å; R196-E200 WeakPolarHBondContact O-CG 3.12Å; R196-E200 PolarHBondContact O-N 3.03Å
197R95.3Very high91.1Very high135 Ų135114.5 Ų114.551%0.50951%0.514SS..Hα-helixtrans-63.3-41.3179.7-151.8-165.982.9-134.3-6.1111.9L193 E194 D195 E200 E201L193-R197 WeakPolarHBondContact O-CB 3.48Å; L193-R197 PolarHBondContact O-N 3.08Å; E194-R197 PolarHBondContact O-N 2.86Å; D195-R197 VanDerWaalsContact C-N 3.34Å; D195-R197 PolarHBondContact O-N 2.91Å; R197-E200 PolarHBondContact O-N 2.8Å; R197-E201 IonicContact CZ-OE1 2.59Å; R197-E201 VanDerWaalsContact CZ-OE1 3.22Å; R197-E201 IonicContact NE-OE1 3.66Å; R197-E201 PolarHBondContact NE-OE1 2.73Å; R197-E201 IonicContact NH2-OE1 2.75Å; R197-E201 PolarHBondContact NH2-OE1 2.96Å; R197-E201 IonicContact NH2-OE2 2.66Å; R197-E201 WeakPolarHBondContact O-CB 3.48Å; R197-E201 WeakPolarHBondContact O-CG 3.46Å; R197-E201 PolarHBondContact O-N 3.4Å
198K92.4Very high91.5Very high108 Ų108115.2 Ų115.247%0.4751%0.511SS..Hα-helixtrans-60.6-46173.3-67.4165-158158.50111.4E194 D195 R196 E200 E201 E202E194-K198 WeakPolarHBondContact O-CG 3.39Å; E194-K198 PolarHBondContact O-N 3.01Å; D195-K198 PolarHBondContact O-N 3.45Å; D195-K198 IonicContact OD1-NZ 2.8Å; D195-K198 PolarHBondContact OD1-NZ 3.16Å; R196-K198 PolarHBondContact O-N 2.8Å; K198-E200 VanDerWaalsContact C-N 3.33Å; K198-E200 PolarHBondContact O-N 3.02Å; K198-E201 PolarHBondContact O-N 2.96Å; K198-E202 WeakPolarHBondContact O-CB 3.34Å; K198-E202 PolarHBondContact O-N 3.5Å
199A91.1Very high91.9Very high56 Ų56117.5 Ų117.546%0.46352%0.522SS..Hα-helixtrans-63.4-36.8178.100000112.5D195 R196 R203D195-A199 PolarHBondContact O-N 3.38Å; R196-A199 PolarHBondContact O-N 3.2Å; A199-R203 WeakPolarHBondContact O-CB 3.47Å; A199-R203 PolarHBondContact O-N 3.14Å
200E93.6Very high92.1Very high99 Ų99118.2 Ų118.246%0.46352%0.519SS..Hα-helixtrans-68.9-41.4172.9-73.6176.2-16000112.6R196 R197 K198 Q204R196-E200 WeakPolarHBondContact O-CG 3.12Å; R196-E200 PolarHBondContact O-N 3.03Å; R197-E200 PolarHBondContact O-N 2.8Å; K198-E200 VanDerWaalsContact C-N 3.33Å; K198-E200 PolarHBondContact O-N 3.02Å; E200-Q204 WeakPolarHBondContact O-CB 3.3Å; E200-Q204 WeakPolarHBondContact O-CG 3.27Å; E200-Q204 PolarHBondContact O-N 2.93Å
201E94.3Very high92.2Very high98 Ų98118.9 Ų118.946%0.45852%0.522SS..Hα-helixtrans-61.5-44.1173.9-75.7172.6-148.600111.8R197 K198 Q204 K205R197-E201 IonicContact CZ-OE1 2.59Å; R197-E201 VanDerWaalsContact CZ-OE1 3.22Å; R197-E201 IonicContact NE-OE1 3.66Å; R197-E201 PolarHBondContact NE-OE1 2.73Å; R197-E201 IonicContact NH2-OE1 2.75Å; R197-E201 PolarHBondContact NH2-OE1 2.96Å; R197-E201 IonicContact NH2-OE2 2.66Å; R197-E201 WeakPolarHBondContact O-CB 3.48Å; R197-E201 WeakPolarHBondContact O-CG 3.46Å; R197-E201 PolarHBondContact O-N 3.4Å; K198-E201 PolarHBondContact O-N 2.96Å; E201-Q204 PolarHBondContact O-N 3.4Å; E201-K205 WeakPolarHBondContact O-CB 3.5Å; E201-K205 PolarHBondContact O-N 3.06Å
202E92.2Very high92.3Very high126 Ų126115.9 Ų115.959%0.58952%0.517SS*.Hα-helixtrans-67-46.6177.5-179.8167.5-147.100112.1K198 Q204 K205 L206K198-E202 WeakPolarHBondContact O-CB 3.34Å; K198-E202 PolarHBondContact O-N 3.5Å; E202-Q204 VanDerWaalsContact C-N 3.31Å; E202-Q204 PolarHBondContact O-N 2.92Å; E202-K205 WeakPolarHBondContact O-CB 3.08Å; E202-K205 PolarHBondContact O-N 3.47Å; E202-L206 HydrophobicContact CG-CD1 4.3Å; E202-L206 PolarHBondContact O-N 3.39Å
203R90.2Very high92.5Very high173 Ų173116 Ų11665%0.65352%0.517SS*.Hα-helixtrans-58.2-43.3174.2177.3-178.5150.8-152.8-8.4111.5A199 K205 L206 E207A199-R203 WeakPolarHBondContact O-CB 3.47Å; A199-R203 PolarHBondContact O-N 3.14Å; R203-K205 VanDerWaalsContact C-N 3.32Å; R203-K205 PolarHBondContact O-N 2.97Å; R203-L206 PolarHBondContact O-N 3.44Å; R203-E207 WeakPolarHBondContact O-CB 3.29Å; R203-E207 PolarHBondContact O-N 3.35Å
204Q94.4Very high92.5Very high92 Ų92115.1 Ų115.143%0.4351%0.51SS..Hα-helixtrans-63.7-36.3174.3-78.7-173.842.300112.7E200 E201 E202 R208E200-Q204 WeakPolarHBondContact O-CB 3.3Å; E200-Q204 WeakPolarHBondContact O-CG 3.27Å; E200-Q204 PolarHBondContact O-N 2.93Å; E201-Q204 PolarHBondContact O-N 3.4Å; E202-Q204 VanDerWaalsContact C-N 3.31Å; E202-Q204 PolarHBondContact O-N 2.92Å; Q204-R208 WeakPolarHBondContact O-CB 3.32Å; Q204-R208 VanDerWaalsContact O-CG 3.23Å; Q204-R208 WeakPolarHBondContact O-CG 3.34Å; Q204-R208 PolarHBondContact O-N 3.34Å
205K95.1Very high92.7Very high139 Ų139115.5 Ų115.560%0.60452%0.517SS*.Hα-helixtrans-64.1-47.4175.9-176.7-170.7171.4-163.80110.8E201 E202 R203 E207 R208 E209E201-K205 WeakPolarHBondContact O-CB 3.5Å; E201-K205 PolarHBondContact O-N 3.06Å; E202-K205 WeakPolarHBondContact O-CB 3.08Å; E202-K205 PolarHBondContact O-N 3.47Å; R203-K205 VanDerWaalsContact C-N 3.32Å; R203-K205 PolarHBondContact O-N 2.97Å; K205-E207 PolarHBondContact O-N 2.9Å; K205-R208 PolarHBondContact O-N 2.98Å; K205-E209 WeakPolarHBondContact O-CB 3.41Å; K205-E209 PolarHBondContact O-N 3.24Å
206L91.1Very high93Very high102 Ų102118 Ų11853%0.53453%0.525SS..Hα-helixtrans-61.8-41175.7-70.6168.1000112.3E202 R203 E209 R210E202-L206 HydrophobicContact CG-CD1 4.3Å; E202-L206 PolarHBondContact O-N 3.39Å; R203-L206 PolarHBondContact O-N 3.44Å; L206-E209 PolarHBondContact O-N 2.84Å; L206-R210 WeakPolarHBondContact O-CB 3.41Å; L206-R210 PolarHBondContact O-N 3.48Å
207E91.8Very high93.1Very high119 Ų119115.6 Ų115.656%0.55652%0.52SS*.Hα-helixtrans-64.8-42.6176.7-169-178.8153.200111.9R203 K205 K211R203-E207 WeakPolarHBondContact O-CB 3.29Å; R203-E207 PolarHBondContact O-N 3.35Å; K205-E207 PolarHBondContact O-N 2.9Å; E207-K211 VanDerWaalsContact O-CB 3.32Å; E207-K211 WeakPolarHBondContact O-CB 3.34Å; E207-K211 PolarHBondContact O-N 3.05Å
208R94.4Very high93Very high155 Ų155110.5 Ų110.559%0.58551%0.507SS*.Hα-helixtrans-62.1-47.7173.3-70.8172.8-147.5175.57.9111.2Q204 K205 R210 K211 D212Q204-R208 WeakPolarHBondContact O-CB 3.32Å; Q204-R208 VanDerWaalsContact O-CG 3.23Å; Q204-R208 WeakPolarHBondContact O-CG 3.34Å; Q204-R208 PolarHBondContact O-N 3.34Å; K205-R208 PolarHBondContact O-N 2.98Å; R208-R210 PolarHBondContact O-N 3.3Å; R208-K211 PolarHBondContact O-N 3.17Å; R208-D212 WeakPolarHBondContact O-CB 3.18Å; R208-D212 PolarHBondContact O-N 3.34Å
209E93.1Very high93.2Very high122 Ų122108.2 Ų108.257%0.5751%0.508SS*.Hα-helixtrans-62.3-42.1-179.7-174.6171.6173.400112.3K205 L206 D212 R213K205-E209 WeakPolarHBondContact O-CB 3.41Å; K205-E209 PolarHBondContact O-N 3.24Å; L206-E209 PolarHBondContact O-N 2.84Å; E209-D212 WeakPolarHBondContact O-CB 3.35Å; E209-D212 PolarHBondContact O-N 3.49Å; E209-R213 PolarHBondContact O-N 3.16Å
210R94.4Very high93.3Very high148 Ų148111.4 Ų111.456%0.55851%0.514SS*.Hα-helixtrans-58-49.8171.7178.3-176.8166.6-175.1-7.4111.4L206 R208 D212 R213 E214L206-R210 WeakPolarHBondContact O-CB 3.41Å; L206-R210 PolarHBondContact O-N 3.48Å; R208-R210 PolarHBondContact O-N 3.3Å; R210-D212 VanDerWaalsContact C-N 3.31Å; R210-D212 PolarHBondContact O-N 2.93Å; R210-R213 WeakPolarHBondContact O-CB 3.47Å; R210-R213 PolarHBondContact O-N 2.76Å; R210-R213 VanDerWaalsContact O-N 3.15Å; R210-E214 IonicContact CZ-OE1 3.79Å; R210-E214 VanDerWaalsContact CZ-OE1 3.22Å; R210-E214 IonicContact NE-OE1 3.59Å; R210-E214 PolarHBondContact NE-OE1 2.84Å; R210-E214 IonicContact NH2-OE1 2.86Å; R210-E214 PolarHBondContact NH2-OE1 3.09Å; R210-E214 WeakPolarHBondContact O-CG 3.41Å; R210-E214 PolarHBondContact O-N 3.49Å
211K94.1Very high93.2Very high138 Ų138112.8 Ų112.860%0.651%0.514SS*.Hα-helixtrans-63.8-37179.9-173.3173.3-176.1171.60112.2E207 R208 R213 E214 T215E207-K211 VanDerWaalsContact O-CB 3.32Å; E207-K211 WeakPolarHBondContact O-CB 3.34Å; E207-K211 PolarHBondContact O-N 3.05Å; R208-K211 PolarHBondContact O-N 3.17Å; K211-R213 VanDerWaalsContact C-N 3.35Å; K211-E214 PolarHBondContact O-N 3.44Å; K211-T215 WeakPolarHBondContact O-CB 3.36Å; K211-T215 VanDerWaalsContact O-CG2 3.3Å; K211-T215 WeakPolarHBondContact O-CG2 3.32Å; K211-T215 PolarHBondContact O-N 2.82Å; K211-T215 PolarHBondContact O-OG1 3.2Å
212D92.8Very high93.2Very high82 Ų82113 Ų11344%0.43952%0.519SS..Hα-helixtrans-64.5-37.4173.4-108.546.2000112R208 E209 R210 T215 K216R208-D212 WeakPolarHBondContact O-CB 3.18Å; R208-D212 PolarHBondContact O-N 3.34Å; E209-D212 WeakPolarHBondContact O-CB 3.35Å; E209-D212 PolarHBondContact O-N 3.49Å; R210-D212 VanDerWaalsContact C-N 3.31Å; R210-D212 PolarHBondContact O-N 2.93Å; D212-T215 WeakPolarHBondContact CA-OG1 3.43Å; D212-T215 PolarHBondContact O-OG1 3.36Å; D212-K216 WeakPolarHBondContact O-CB 3.47Å; D212-K216 WeakPolarHBondContact O-CD 3.49Å; D212-K216 WeakPolarHBondContact O-CE 3.15Å; D212-K216 WeakPolarHBondContact O-CG 3.35Å; D212-K216 PolarHBondContact O-N 3.49Å; D212-K216 VanDerWaalsContact O-N 3.15Å; D212-K216 IonicContact OD2-NZ 2.69Å; D212-K216 PolarHBondContact OD2-NZ 3.3Å
213R92.1Very high93.3Very high149 Ų149114.2 Ų114.256%0.56252%0.522SS*.Hα-helixtrans-68.7-51.1173.1-175.9173.170.8-145.52.6111.4E209 R210 K211 T215 K216 E217E209-R213 PolarHBondContact O-N 3.16Å; R210-R213 WeakPolarHBondContact O-CB 3.47Å; R210-R213 PolarHBondContact O-N 2.76Å; R210-R213 VanDerWaalsContact O-N 3.15Å; K211-R213 VanDerWaalsContact C-N 3.35Å; R213-T215 VanDerWaalsContact C-N 3.3Å; R213-T215 PolarHBondContact O-N 2.83Å; R213-K216 PolarHBondContact O-N 3.21Å; R213-K216 VanDerWaalsContact O-N 3.17Å; R213-E217 WeakPolarHBondContact CG-OE1 3.35Å; R213-E217 WeakPolarHBondContact O-CG 3.44Å; R213-E217 PolarHBondContact O-N 3.22Å
214E92.5Very high93.5Very high88 Ų88113.2 Ų113.241%0.41152%0.518SS..Hα-helixtrans-59-38.8179.9-72.5176.1178.700112.3R210 K211 A218R210-E214 IonicContact CZ-OE1 3.79Å; R210-E214 VanDerWaalsContact CZ-OE1 3.22Å; R210-E214 IonicContact NE-OE1 3.59Å; R210-E214 PolarHBondContact NE-OE1 2.84Å; R210-E214 IonicContact NH2-OE1 2.86Å; R210-E214 PolarHBondContact NH2-OE1 3.09Å; R210-E214 WeakPolarHBondContact O-CG 3.41Å; R210-E214 PolarHBondContact O-N 3.49Å; K211-E214 PolarHBondContact O-N 3.44Å; E214-A218 WeakPolarHBondContact O-CB 3.46Å; E214-A218 PolarHBondContact O-N 2.95Å
215T93.3Very high93.4Very high77 Ų77113.1 Ų113.147%0.47252%0.521SS..Hα-helixtrans-72-37.5175.950.60000113.2K211 D212 R213 A218 A219K211-T215 WeakPolarHBondContact O-CB 3.36Å; K211-T215 VanDerWaalsContact O-CG2 3.3Å; K211-T215 WeakPolarHBondContact O-CG2 3.32Å; K211-T215 PolarHBondContact O-N 2.82Å; K211-T215 PolarHBondContact O-OG1 3.2Å; D212-T215 WeakPolarHBondContact CA-OG1 3.43Å; D212-T215 PolarHBondContact O-OG1 3.36Å; R213-T215 VanDerWaalsContact C-N 3.3Å; R213-T215 PolarHBondContact O-N 2.83Å; T215-A218 PolarHBondContact O-N 3.29Å; T215-A219 WeakPolarHBondContact O-CB 3.35Å; T215-A219 PolarHBondContact O-N 3.37Å
216K94.3Very high93.4Very high120 Ų120114.1 Ų114.152%0.52253%0.525SS..Hα-helixtrans-63.2-42.6172.1-73.7160.6-161.4154.90111.4D212 R213 A219 Q220D212-K216 WeakPolarHBondContact O-CB 3.47Å; D212-K216 WeakPolarHBondContact O-CD 3.49Å; D212-K216 WeakPolarHBondContact O-CE 3.15Å; D212-K216 WeakPolarHBondContact O-CG 3.35Å; D212-K216 PolarHBondContact O-N 3.49Å; D212-K216 VanDerWaalsContact O-N 3.15Å; D212-K216 IonicContact OD2-NZ 2.69Å; D212-K216 PolarHBondContact OD2-NZ 3.3Å; R213-K216 PolarHBondContact O-N 3.21Å; R213-K216 VanDerWaalsContact O-N 3.17Å; K216-A219 PolarHBondContact O-N 2.87Å; K216-Q220 WeakPolarHBondContact O-CG 3.49Å; K216-Q220 PolarHBondContact O-N 2.99Å; K216-Q220 VanDerWaalsContact O-N 3.07Å
217E91.8Very high93.6Very high101 Ų101114.4 Ų114.447%0.47252%0.524SS..Hα-helixtrans-67.1-40.5176.2-72.7175.3-158.200112.5R213 Q220 R221R213-E217 WeakPolarHBondContact CG-OE1 3.35Å; R213-E217 WeakPolarHBondContact O-CG 3.44Å; R213-E217 PolarHBondContact O-N 3.22Å; E217-Q220 PolarHBondContact O-N 2.77Å; E217-R221 PolarHBondContact O-N 2.91Å
218A94.3Very high93.7Very high28 Ų28116.8 Ų116.823%0.23153%0.528CS..Hα-helixtrans-60.6-49.5172.900000111.6E214 T215 Q220 R221 D222E214-A218 WeakPolarHBondContact O-CB 3.46Å; E214-A218 PolarHBondContact O-N 2.95Å; T215-A218 PolarHBondContact O-N 3.29Å; A218-Q220 PolarHBondContact O-N 2.85Å; A218-R221 WeakPolarHBondContact O-CA 3.23Å; A218-R221 WeakPolarHBondContact O-CB 3.47Å; A218-R221 PolarHBondContact O-N 3.2Å; A218-D222 PolarHBondContact O-N 2.91Å
219A95.6Very high93.7Very high60 Ų60111.9 Ų111.950%0.49652%0.517SS..Hα-helixtrans-59.6-31.9176.700000113.1T215 K216 K223T215-A219 WeakPolarHBondContact O-CB 3.35Å; T215-A219 PolarHBondContact O-N 3.37Å; K216-A219 PolarHBondContact O-N 2.87Å; A219-K223 VanDerWaalsContact O-CB 3.27Å; A219-K223 WeakPolarHBondContact O-CB 3.42Å; A219-K223 PolarHBondContact O-N 3.46Å
220Q94.3Very high93.8Very high124 Ų124108.9 Ų108.958%0.57951%0.509SS*.Hα-helixtrans-75-25.1172.6-73.5-175.126.100114.2K216 E217 A218 R224K216-Q220 WeakPolarHBondContact O-CG 3.49Å; K216-Q220 PolarHBondContact O-N 2.99Å; K216-Q220 VanDerWaalsContact O-N 3.07Å; E217-Q220 PolarHBondContact O-N 2.77Å; A218-Q220 PolarHBondContact O-N 2.85Å; Q220-R224 WeakPolarHBondContact O-CG 3.43Å; Q220-R224 PolarHBondContact O-N 3.04Å; Q220-R224 PolarHBondContact O-NE 2.96Å
221R92.1Very high93.8Very high127 Ų127107.1 Ų107.148%0.47951%0.508SS..Hα-helixtrans-72.7-55.7169.2-73.5-172.9-76.397.2-6.7109.8E217 A218 K223 R224 D225E217-R221 PolarHBondContact O-N 2.91Å; A218-R221 WeakPolarHBondContact O-CA 3.23Å; A218-R221 WeakPolarHBondContact O-CB 3.47Å; A218-R221 PolarHBondContact O-N 3.2Å; R221-K223 PolarHBondContact O-N 2.83Å; R221-K223 VanDerWaalsContact O-N 3.16Å; R221-R224 WeakPolarHBondContact O-CA 3.33Å; R221-R224 WeakPolarHBondContact O-CB 3.1Å; R221-R224 PolarHBondContact O-N 2.85Å; R221-D225 PolarHBondContact O-N 3.33Å
222D92.4Very high93.8Very high104 Ų104104 Ų10456%0.55650%0.497SS*.Hα-helixtrans-53.7-39.9178.9-70.623.1000112.6A218 K226A218-D222 PolarHBondContact O-N 2.91Å; D222-K226 WeakPolarHBondContact O-CB 3.35Å; D222-K226 PolarHBondContact O-N 3.42Å
223K95.9Very high93.9Very high150 Ų150104 Ų10465%0.65250%0.497SS*.Hα-helixtrans-62.9-45174.6-174.3178.9177-174.40112.4A219 R221 E227A219-K223 VanDerWaalsContact O-CB 3.27Å; A219-K223 WeakPolarHBondContact O-CB 3.42Å; A219-K223 PolarHBondContact O-N 3.46Å; R221-K223 PolarHBondContact O-N 2.83Å; R221-K223 VanDerWaalsContact O-N 3.16Å; K223-E227 WeakPolarHBondContact O-CB 3.36Å; K223-E227 PolarHBondContact O-N 3.48Å
224R93.7Very high94Very high153 Ų153102.8 Ų102.858%0.57750%0.498SS*.Hα-helixtrans-66.9-41.9178.1-77.8-178.5-72.4174-4.2111.7Q220 R221 K226 E227 R228Q220-R224 WeakPolarHBondContact O-CG 3.43Å; Q220-R224 PolarHBondContact O-N 3.04Å; Q220-R224 PolarHBondContact O-NE 2.96Å; R221-R224 WeakPolarHBondContact O-CA 3.33Å; R221-R224 WeakPolarHBondContact O-CB 3.1Å; R221-R224 PolarHBondContact O-N 2.85Å; R224-K226 VanDerWaalsContact C-N 3.35Å; R224-E227 PolarHBondContact O-N 2.88Å; R224-R228 VanDerWaalsContact O-CB 3.3Å; R224-R228 WeakPolarHBondContact O-CB 3.45Å; R224-R228 PolarHBondContact O-N 3.37Å
225D91.9Very high94.1Very high89 Ų89104.9 Ų104.948%0.47651%0.507SS..Hα-helixtrans-69.5-34.2179.7-67.4-40.4000111.8R221 R228 S229R221-D225 PolarHBondContact O-N 3.33Å; D225-R228 PolarHBondContact O-N 3.42Å; D225-S229 WeakPolarHBondContact O-CB 3.25Å; D225-S229 PolarHBondContact O-N 2.86Å; D225-S229 PolarHBondContact O-OG 3.03Å
226K96.1Very high94.2Very high161 Ų161107 Ų10770%0.751%0.51SS*.Hα-helixtrans-70.6-34.8172.1-173171.8-176.3173.50113.6D222 R224 S229 S230D222-K226 WeakPolarHBondContact O-CB 3.35Å; D222-K226 PolarHBondContact O-N 3.42Å; R224-K226 VanDerWaalsContact C-N 3.35Å; K226-S229 PolarHBondContact O-OG 2.93Å; K226-S229 VanDerWaalsContact O-OG 3.11Å; K226-S230 WeakPolarHBondContact O-CB 3.3Å; K226-S230 PolarHBondContact O-N 3.44Å; K226-S230 VanDerWaalsContact O-N 3.17Å
227E94.3Very high94.3Very high108 Ų108108.1 Ų108.151%0.50552%0.515SS..Hα-helixtrans-67.3-45171.7-177.5171-175.100110.7K223 R224 S230 Q231K223-E227 WeakPolarHBondContact O-CB 3.36Å; K223-E227 PolarHBondContact O-N 3.48Å; R224-E227 PolarHBondContact O-N 2.88Å; E227-S230 WeakPolarHBondContact O-CB 3.45Å; E227-S230 PolarHBondContact O-N 2.88Å; E227-Q231 WeakPolarHBondContact O-CG 3.41Å; E227-Q231 PolarHBondContact O-N 3.25Å
228R94.2Very high94.5Very high168 Ų168110.2 Ų110.263%0.63452%0.519SS*.Hα-helixtrans-62.2-43177.5-164-179-159174.55.8112.6R224 D225 Q231 I232R224-R228 VanDerWaalsContact O-CB 3.3Å; R224-R228 WeakPolarHBondContact O-CB 3.45Å; R224-R228 PolarHBondContact O-N 3.37Å; D225-R228 PolarHBondContact O-N 3.42Å; R228-Q231 PolarHBondContact O-N 2.94Å; R228-I232 HydrophobicContact CG-CD1 4.24Å; R228-I232 VanDerWaalsContact O-CG1 3.29Å; R228-I232 WeakPolarHBondContact O-CG1 3.2Å; R228-I232 PolarHBondContact O-N 2.85Å
229S93.6Very high94.5Very high53 Ų53114.9 Ų114.937%0.37154%0.536SS..Hα-helixtrans-65.7-39.4175.764.90000111.9D225 K226 Q231 I232 D233D225-S229 WeakPolarHBondContact O-CB 3.25Å; D225-S229 PolarHBondContact O-N 2.86Å; D225-S229 PolarHBondContact O-OG 3.03Å; K226-S229 PolarHBondContact O-OG 2.93Å; K226-S229 VanDerWaalsContact O-OG 3.11Å; S229-Q231 PolarHBondContact O-N 3.46Å; S229-I232 PolarHBondContact O-N 2.69Å; S229-D233 PolarHBondContact O-N 3.05Å
230S96.4Very high94.4Very high58 Ų58118.6 Ų118.641%0.40654%0.543SS..Hα-helixtrans-60.7-41.9174-169.40000112.7K226 E227 D233 Q234K226-S230 WeakPolarHBondContact O-CB 3.3Å; K226-S230 PolarHBondContact O-N 3.44Å; K226-S230 VanDerWaalsContact O-N 3.17Å; E227-S230 WeakPolarHBondContact O-CB 3.45Å; E227-S230 PolarHBondContact O-N 2.88Å; S230-D233 PolarHBondContact O-N 3.06Å; S230-Q234 VanDerWaalsContact O-CG 3.29Å; S230-Q234 WeakPolarHBondContact O-CG 3.48Å; S230-Q234 PolarHBondContact O-N 3.34Å; S230-Q234 PolarHBondContact OG-NE2 3.3Å
231Q94.7Very high94.4Very high111 Ų111118.9 Ų118.952%0.51955%0.545SS..Hα-helixtrans-64.1-43.3174.5-69.3177.115.700111.9E227 R228 S229 D233 Q234 Q235E227-Q231 WeakPolarHBondContact O-CG 3.41Å; E227-Q231 PolarHBondContact O-N 3.25Å; R228-Q231 PolarHBondContact O-N 2.94Å; S229-Q231 PolarHBondContact O-N 3.46Å; Q231-D233 PolarHBondContact O-N 3.2Å; Q231-Q234 PolarHBondContact O-N 2.9Å; Q231-Q235 WeakPolarHBondContact O-CB 3.46Å; Q231-Q235 PolarHBondContact O-N 3.43Å
232I93.9Very high94.5Very high73 Ų73116.8 Ų116.837%0.37454%0.543SS..Hα-helixtrans-61.8-42.6176.8-71.2164.5000111.2R228 S229 Q235 K236R228-I232 HydrophobicContact CG-CD1 4.24Å; R228-I232 VanDerWaalsContact O-CG1 3.29Å; R228-I232 WeakPolarHBondContact O-CG1 3.2Å; R228-I232 PolarHBondContact O-N 2.85Å; S229-I232 PolarHBondContact O-N 2.69Å; I232-Q235 PolarHBondContact O-N 3.5Å; I232-K236 HydrophobicContact CG2-CD 4.15Å; I232-K236 VanDerWaalsContact CG2-CE 3.5Å; I232-K236 HydrophobicContact CG2-CG 4.49Å; I232-K236 WeakPolarHBondContact O-CB 3.41Å; I232-K236 WeakPolarHBondContact O-CG 3.47Å; I232-K236 PolarHBondContact O-N 2.98Å
233D94.1Very high94.6Very high81 Ų81116.6 Ų116.643%0.43354%0.538SS..Hα-helixtrans-73.8-29.8-179.6-71.4-18.1000112.8S229 S230 Q231 K236 K237S229-D233 PolarHBondContact O-N 3.05Å; S230-D233 PolarHBondContact O-N 3.06Å; Q231-D233 PolarHBondContact O-N 3.2Å; D233-K236 IonicContact OD1-NZ 2.61Å; D233-K236 PolarHBondContact OD1-NZ 3.48Å; D233-K237 WeakPolarHBondContact O-CB 3.32Å; D233-K237 WeakPolarHBondContact O-CG 3.26Å; D233-K237 PolarHBondContact O-N 3.23Å
234Q95.6Very high94.5Very high125 Ų125112.2 Ų112.258%0.58453%0.53SS*.Hα-helixtrans-64.7-46.8167.1-73.217546.300111.3S230 Q231 K236 K237 Y238S230-Q234 VanDerWaalsContact O-CG 3.29Å; S230-Q234 WeakPolarHBondContact O-CG 3.48Å; S230-Q234 PolarHBondContact O-N 3.34Å; S230-Q234 PolarHBondContact OG-NE2 3.3Å; Q231-Q234 PolarHBondContact O-N 2.9Å; Q234-K236 PolarHBondContact O-N 2.67Å; Q234-K237 PolarHBondContact O-N 2.77Å; Q234-Y238 PolarHBondContact O-N 3.37Å
235Q94.4Very high94.5Very high131 Ų131110 Ų11061%0.61253%0.527SS*.Hα-helixtrans-61.9-44.1178.3-170.6177.332.100111.8Q231 I232 Y238 Q239Q231-Q235 WeakPolarHBondContact O-CB 3.46Å; Q231-Q235 PolarHBondContact O-N 3.43Å; I232-Q235 PolarHBondContact O-N 3.5Å; Q235-Y238 PolarHBondContact O-N 2.93Å; Q235-Q239 WeakPolarHBondContact O-CB 3.28Å; Q235-Q239 PolarHBondContact O-N 3Å
236K95.3Very high94.7Very high121 Ų121109.1 Ų109.153%0.52653%0.527SS..Hα-helixtrans-59.2-45.9173.9-75.4171.6-174.4163.60112.2I232 D233 Q234 Q239 Q240I232-K236 HydrophobicContact CG2-CD 4.15Å; I232-K236 VanDerWaalsContact CG2-CE 3.5Å; I232-K236 HydrophobicContact CG2-CG 4.49Å; I232-K236 WeakPolarHBondContact O-CB 3.41Å; I232-K236 WeakPolarHBondContact O-CG 3.47Å; I232-K236 PolarHBondContact O-N 2.98Å; D233-K236 IonicContact OD1-NZ 2.61Å; D233-K236 PolarHBondContact OD1-NZ 3.48Å; Q234-K236 PolarHBondContact O-N 2.67Å; K236-Q239 PolarHBondContact O-N 3.5Å; K236-Q240 VanDerWaalsContact O-CB 3.27Å; K236-Q240 WeakPolarHBondContact O-CB 3.36Å; K236-Q240 PolarHBondContact O-N 2.93Å
237K96.3Very high94.6Very high144 Ų144106.9 Ų106.963%0.62652%0.517SS*.Hα-helixtrans-61-45.1177.4-81.1-178.8177.4-178.20111.9D233 Q234 Q240 Q241D233-K237 WeakPolarHBondContact O-CB 3.32Å; D233-K237 WeakPolarHBondContact O-CG 3.26Å; D233-K237 PolarHBondContact O-N 3.23Å; Q234-K237 PolarHBondContact O-N 2.77Å; K237-Q240 PolarHBondContact O-N 2.94Å; K237-Q241 WeakPolarHBondContact O-CG 3.34Å; K237-Q241 PolarHBondContact O-N 2.8Å
238Y94.6Very high94.6Very high145 Ų145107.2 Ų107.257%0.56952%0.519SS*.Hα-helixtrans-63.4-43.8177.7-178.5-111.8000111.9Q234 Q235 Q240 Q241 L242Q234-Y238 PolarHBondContact O-N 3.37Å; Q235-Y238 PolarHBondContact O-N 2.93Å; Y238-Q240 PolarHBondContact O-N 3.32Å; Y238-Q241 WeakPolarHBondContact O-CB 3.12Å; Y238-Q241 PolarHBondContact O-N 2.87Å; Y238-L242 HydrophobicContact CD1-CD1 4.05Å; Y238-L242 HydrophobicContact CE1-CD1 3.55Å; Y238-L242 HydrophobicContact CE1-CG 4.33Å; Y238-L242 PolarHBondContact O-N 3.37Å
239Q94.2Very high94.5Very high126 Ų126102.8 Ų102.859%0.58951%0.505SS*.Hα-helixtrans-65.4-38176.3-171.3167.82.200112.3Q235 K236 Q241 L242 E243Q235-Q239 WeakPolarHBondContact O-CB 3.28Å; Q235-Q239 PolarHBondContact O-N 3Å; K236-Q239 PolarHBondContact O-N 3.5Å; Q239-Q241 VanDerWaalsContact C-N 3.34Å; Q239-L242 PolarHBondContact O-N 3.07Å; Q239-E243 WeakPolarHBondContact O-CB 3.42Å; Q239-E243 PolarHBondContact O-N 3.05Å
240Q94.4Very high94.4Very high138 Ų138106.2 Ų106.265%0.64552%0.516SS*.Hα-helixtrans-66.9-33.7174.9-170.9175.332.900112.4K236 K237 Y238 A244K236-Q240 VanDerWaalsContact O-CB 3.27Å; K236-Q240 WeakPolarHBondContact O-CB 3.36Å; K236-Q240 PolarHBondContact O-N 2.93Å; K237-Q240 PolarHBondContact O-N 2.94Å; Y238-Q240 PolarHBondContact O-N 3.32Å; Q240-A244 WeakPolarHBondContact O-CB 3.35Å; Q240-A244 PolarHBondContact O-N 2.75Å
241Q94.4Very high94.3Very high131 Ų131109.5 Ų109.561%0.61252%0.523SS*.Hα-helixtrans-66.2-47.7172-75.5172.6-29.800111.5K237 Y238 Q239 E243 A244 E245K237-Q241 WeakPolarHBondContact O-CG 3.34Å; K237-Q241 PolarHBondContact O-N 2.8Å; Y238-Q241 WeakPolarHBondContact O-CB 3.12Å; Y238-Q241 PolarHBondContact O-N 2.87Å; Q239-Q241 VanDerWaalsContact C-N 3.34Å; Q241-E243 VanDerWaalsContact C-N 3.32Å; Q241-E243 PolarHBondContact O-N 2.93Å; Q241-A244 PolarHBondContact O-N 3.36Å; Q241-E245 PolarHBondContact O-N 3.46Å
242L94Very high94.3Very high82 Ų82108.9 Ų108.943%0.42952%0.52SS..Hα-helixtrans-60.6-39.7175.3-70.9174.4000112.4Y238 Q239 S246Y238-L242 HydrophobicContact CD1-CD1 4.05Å; Y238-L242 HydrophobicContact CE1-CD1 3.55Å; Y238-L242 HydrophobicContact CE1-CG 4.33Å; Y238-L242 PolarHBondContact O-N 3.37Å; Q239-L242 PolarHBondContact O-N 3.07Å; L242-S246 VanDerWaalsContact O-CB 3.24Å; L242-S246 WeakPolarHBondContact O-CB 3.42Å; L242-S246 PolarHBondContact O-N 3.47Å
243E94.1Very high94.2Very high100 Ų100112.1 Ų112.147%0.46753%0.527SS..Hα-helixtrans-68.1-38.2177.1-163.2-168137.100111.9Q239 Q241 K247Q239-E243 WeakPolarHBondContact O-CB 3.42Å; Q239-E243 PolarHBondContact O-N 3.05Å; Q241-E243 VanDerWaalsContact C-N 3.32Å; Q241-E243 PolarHBondContact O-N 2.93Å; E243-K247 HydrophobicContact CG-CD 4.38Å; E243-K247 WeakPolarHBondContact O-CB 3.39Å; E243-K247 VanDerWaalsContact O-CG 3.32Å; E243-K247 WeakPolarHBondContact O-CG 3.49Å; E243-K247 PolarHBondContact O-N 3.36Å; E243-K247 WeakPolarHBondContact OE1-CE 3.23Å; E243-K247 IonicContact OE1-NZ 2.63Å; E243-K247 PolarHBondContact OE1-NZ 3.24Å
244A94.5Very high94.1Very high58 Ų58115.7 Ų115.748%0.47954%0.535SS..Hα-helixtrans-65.9-45.2174.700000111.9Q240 Q241 K247 E248Q240-A244 WeakPolarHBondContact O-CB 3.35Å; Q240-A244 PolarHBondContact O-N 2.75Å; Q241-A244 PolarHBondContact O-N 3.36Å; A244-K247 PolarHBondContact O-N 2.89Å; A244-E248 PolarHBondContact O-N 3Å
245E94.6Very high93.9Very high108 Ų108115.1 Ų115.151%0.50553%0.532SS..Hα-helixtrans-63.1-44.3175.9-168.7-172.3159.500111.2Q241 K247 E248 Q249Q241-E245 PolarHBondContact O-N 3.46Å; E245-K247 VanDerWaalsContact C-N 3.34Å; E245-K247 PolarHBondContact O-N 3.32Å; E245-E248 PolarHBondContact O-N 3.48Å; E245-E248 VanDerWaalsContact O-N 3.13Å; E245-Q249 WeakPolarHBondContact O-CG 3.2Å; E245-Q249 PolarHBondContact O-N 2.62Å; E245-Q249 PolarHBondContact OE1-NE2 2.78Å
246S94.8Very high93.8Very high69 Ų69114.5 Ų114.548%0.48353%0.529SS..Hα-helixtrans-58.2-44.9175.3-173.40000111.7L242 E248 Q249 E250L242-S246 VanDerWaalsContact O-CB 3.24Å; L242-S246 WeakPolarHBondContact O-CB 3.42Å; L242-S246 PolarHBondContact O-N 3.47Å; S246-E248 VanDerWaalsContact C-N 3.34Å; S246-E248 PolarHBondContact O-N 3.02Å; S246-Q249 PolarHBondContact O-N 2.83Å; S246-E250 WeakPolarHBondContact O-CB 3.32Å; S246-E250 PolarHBondContact O-N 3.47Å
247K93.9Very high93.6Very high114 Ų114114 Ų11450%0.49653%0.529SS..Hα-helixtrans-65.8-33.2175.6-79170.5170.6171.50113E243 A244 E245 K251E243-K247 HydrophobicContact CG-CD 4.38Å; E243-K247 WeakPolarHBondContact O-CB 3.39Å; E243-K247 VanDerWaalsContact O-CG 3.32Å; E243-K247 WeakPolarHBondContact O-CG 3.49Å; E243-K247 PolarHBondContact O-N 3.36Å; E243-K247 WeakPolarHBondContact OE1-CE 3.23Å; E243-K247 IonicContact OE1-NZ 2.63Å; E243-K247 PolarHBondContact OE1-NZ 3.24Å; A244-K247 PolarHBondContact O-N 2.89Å; E245-K247 VanDerWaalsContact C-N 3.34Å; E245-K247 PolarHBondContact O-N 3.32Å; K247-K251 WeakPolarHBondContact O-CB 3.24Å; K247-K251 PolarHBondContact O-N 3.32Å
248E93.6Very high93.3Very high115 Ų115110.8 Ų110.854%0.53752%0.516SS..Hα-helixtrans-70.9-43.5174.5-176148.9-13500111.7A244 E245 S246 E250 K251 Q252A244-E248 PolarHBondContact O-N 3Å; E245-E248 PolarHBondContact O-N 3.48Å; E245-E248 VanDerWaalsContact O-N 3.13Å; S246-E248 VanDerWaalsContact C-N 3.34Å; S246-E248 PolarHBondContact O-N 3.02Å; E248-E250 VanDerWaalsContact C-N 3.35Å; E248-E250 PolarHBondContact O-N 3.36Å; E248-K251 PolarHBondContact O-N 3.18Å; E248-Q252 WeakPolarHBondContact O-CB 3.46Å; E248-Q252 VanDerWaalsContact O-CG 3.29Å; E248-Q252 WeakPolarHBondContact O-CG 3.4Å; E248-Q252 PolarHBondContact O-N 2.91Å
249Q93Very high93.1Very high75 Ų75110 Ų11035%0.3552%0.517SS..Hα-helixtrans-65-35173.4-64.4-179.219.200113E245 S246 R253E245-Q249 WeakPolarHBondContact O-CG 3.2Å; E245-Q249 PolarHBondContact O-N 2.62Å; E245-Q249 PolarHBondContact OE1-NE2 2.78Å; S246-Q249 PolarHBondContact O-N 2.83Å; Q249-R253 WeakPolarHBondContact O-CB 3.4Å; Q249-R253 PolarHBondContact O-N 2.82Å; Q249-R253 PolarHBondContact O-NE 3.36Å; Q249-R253 VanDerWaalsContact OE1-NH2 3.09Å
250E92.5Very high92.9Very high126 Ų126110.4 Ų110.459%0.58952%0.519SS*.Hα-helixtrans-67-45.4174-175.8176-154.600111S246 E248 Q252 R253 W254S246-E250 WeakPolarHBondContact O-CB 3.32Å; S246-E250 PolarHBondContact O-N 3.47Å; E248-E250 VanDerWaalsContact C-N 3.35Å; E248-E250 PolarHBondContact O-N 3.36Å; E250-Q252 VanDerWaalsContact C-N 3.34Å; E250-Q252 PolarHBondContact O-N 3.28Å; E250-R253 PolarHBondContact O-N 2.59Å; E250-W254 PolarHBondContact O-N 3.33Å
251K93.9Very high92.5Very high127 Ų127109.7 Ų109.755%0.55252%0.516SS*.Hα-helixtrans-61.6-39.1174.7-179.1-175.8173.9-1670112.5K247 E248 Q255K247-K251 WeakPolarHBondContact O-CB 3.24Å; K247-K251 PolarHBondContact O-N 3.32Å; E248-K251 PolarHBondContact O-N 3.18Å; K251-Q255 WeakPolarHBondContact O-CG 3.33Å; K251-Q255 PolarHBondContact O-N 3.08Å; K251-Q255 VanDerWaalsContact O-N 3.07Å
252Q93.4Very high92.2Very high98 Ų98107.9 Ų107.946%0.45851%0.51SS..Hα-helixtrans-63.5-50.8173.6-74.2171.613.100111E248 E250 W254 Q255 E256E248-Q252 WeakPolarHBondContact O-CB 3.46Å; E248-Q252 VanDerWaalsContact O-CG 3.29Å; E248-Q252 WeakPolarHBondContact O-CG 3.4Å; E248-Q252 PolarHBondContact O-N 2.91Å; E250-Q252 VanDerWaalsContact C-N 3.34Å; E250-Q252 PolarHBondContact O-N 3.28Å; Q252-W254 VanDerWaalsContact C-N 3.31Å; Q252-W254 PolarHBondContact O-N 3.33Å; Q252-Q255 WeakPolarHBondContact O-CB 3.32Å; Q252-Q255 PolarHBondContact O-N 3.18Å; Q252-E256 PolarHBondContact O-N 2.81Å
253R92.8Very high91.9Very high140 Ų140107.2 Ų107.253%0.52851%0.508SS..Hα-helixtrans-56-42.9175.5-82.3179.4-89.9-127.9-2.2112.7Q249 E250 Q255 E256 E257Q249-R253 WeakPolarHBondContact O-CB 3.4Å; Q249-R253 PolarHBondContact O-N 2.82Å; Q249-R253 PolarHBondContact O-NE 3.36Å; Q249-R253 VanDerWaalsContact OE1-NH2 3.09Å; E250-R253 PolarHBondContact O-N 2.59Å; R253-Q255 VanDerWaalsContact C-N 3.34Å; R253-Q255 PolarHBondContact O-N 2.9Å; R253-E256 PolarHBondContact O-N 3.11Å; R253-E257 PolarHBondContact O-N 3.45Å
254W92.1Very high91.5Very high156 Ų156104.3 Ų104.359%0.59150%0.5SS*.Hα-helixtrans-62.6-38.9175.5-179.2-98.5000112.7E250 Q252 Q258E250-W254 PolarHBondContact O-N 3.33Å; Q252-W254 VanDerWaalsContact C-N 3.31Å; Q252-W254 PolarHBondContact O-N 3.33Å; W254-Q258 WeakPolarHBondContact O-CB 3.35Å; W254-Q258 VanDerWaalsContact O-CG 3.22Å; W254-Q258 WeakPolarHBondContact O-CG 3.31Å; W254-Q258 PolarHBondContact O-N 3.35Å
255Q91.8Very high91.2Very high114 Ų114104 Ų10453%0.53350%0.498SS..Hα-helixtrans-66.8-41.4174.9-73.3176.5-1000111.9K251 Q252 R253 Q258 Q259K251-Q255 WeakPolarHBondContact O-CG 3.33Å; K251-Q255 PolarHBondContact O-N 3.08Å; K251-Q255 VanDerWaalsContact O-N 3.07Å; Q252-Q255 WeakPolarHBondContact O-CB 3.32Å; Q252-Q255 PolarHBondContact O-N 3.18Å; R253-Q255 VanDerWaalsContact C-N 3.34Å; R253-Q255 PolarHBondContact O-N 2.9Å; Q255-Q258 PolarHBondContact O-N 2.57Å; Q255-Q259 WeakPolarHBondContact O-CB 3.32Å; Q255-Q259 PolarHBondContact O-N 3.49Å
256E91.6Very high90.7Very high118 Ų118105 Ų10555%0.55150%0.503SS*.Hα-helixtrans-63.3-43.1174.4-69.7-178.3168.900112.3Q252 R253 Q259 Q260Q252-E256 PolarHBondContact O-N 2.81Å; R253-E256 PolarHBondContact O-N 3.11Å; E256-Q259 PolarHBondContact O-N 3.11Å; E256-Q260 WeakPolarHBondContact O-CB 3.48Å; E256-Q260 WeakPolarHBondContact O-CG 3.48Å; E256-Q260 PolarHBondContact O-N 3.32Å
257E91Very high90.1Very high111 Ų111110.1 Ų110.152%0.51951%0.512SS..Hα-helixtrans-64.3-42.2175.3-76.1-164151.100112.2R253 Q259 Q260 Q261R253-E257 PolarHBondContact O-N 3.45Å; E257-Q259 VanDerWaalsContact C-N 3.32Å; E257-Q259 PolarHBondContact O-N 3.18Å; E257-Q260 PolarHBondContact O-N 3.44Å; E257-Q261 WeakPolarHBondContact O-CB 3.49Å; E257-Q261 WeakPolarHBondContact O-CG 3.32Å; E257-Q261 PolarHBondContact O-N 3.34Å
258Q89.9Confident89.6Confident75 Ų75111.6 Ų111.635%0.3552%0.518SS..Hα-helixtrans-61.9-40.5174.4-74.6-69.5-29.300111.5W254 Q255 Q261 N262W254-Q258 WeakPolarHBondContact O-CB 3.35Å; W254-Q258 VanDerWaalsContact O-CG 3.22Å; W254-Q258 WeakPolarHBondContact O-CG 3.31Å; W254-Q258 PolarHBondContact O-N 3.35Å; Q255-Q258 PolarHBondContact O-N 2.57Å; Q258-Q261 PolarHBondContact O-N 3.15Å; Q258-N262 PolarHBondContact O-N 3.11Å; Q258-N262 PolarHBondContact O-ND2 3.46Å
259Q90.3Very high88.9Confident129 Ų129109 Ų10960%0.60352%0.516SS*.Hα-helixtrans-69.2-43.7176.7-170.2162.3-6.700111.7Q255 E256 E257 Q261 N262 D263Q255-Q259 WeakPolarHBondContact O-CB 3.32Å; Q255-Q259 PolarHBondContact O-N 3.49Å; E256-Q259 PolarHBondContact O-N 3.11Å; E257-Q259 VanDerWaalsContact C-N 3.32Å; E257-Q259 PolarHBondContact O-N 3.18Å; Q259-Q261 VanDerWaalsContact C-N 3.33Å; Q259-Q261 PolarHBondContact O-N 3.29Å; Q259-N262 PolarHBondContact O-N 2.97Å; Q259-D263 PolarHBondContact O-N 2.92Å
260Q89.6Confident88.2Confident134 Ų134109.8 Ų109.863%0.62653%0.526SS*.Hα-helixtrans-61.2-37.8173.4-76.4-169.45100112.7E256 E257 A264E256-Q260 WeakPolarHBondContact O-CB 3.48Å; E256-Q260 WeakPolarHBondContact O-CG 3.48Å; E256-Q260 PolarHBondContact O-N 3.32Å; E257-Q260 PolarHBondContact O-N 3.44Å; Q260-A264 WeakPolarHBondContact O-CB 3.36Å; Q260-A264 PolarHBondContact O-N 2.84Å
261Q87Confident87.4Confident124 Ų124112.8 Ų112.858%0.57953%0.532SS*.Hα-helixtrans-66.1-41.1175.1-78.4-166.368.500112.1E257 Q258 Q259 A264 A265E257-Q261 WeakPolarHBondContact O-CB 3.49Å; E257-Q261 WeakPolarHBondContact O-CG 3.32Å; E257-Q261 PolarHBondContact O-N 3.34Å; Q258-Q261 PolarHBondContact O-N 3.15Å; Q259-Q261 VanDerWaalsContact C-N 3.33Å; Q259-Q261 PolarHBondContact O-N 3.29Å; Q261-A264 PolarHBondContact O-N 2.86Å; Q261-A265 VanDerWaalsContact O-CB 3.29Å; Q261-A265 WeakPolarHBondContact O-CB 3.41Å; Q261-A265 PolarHBondContact O-N 2.81Å
262N87.4Confident86.5Confident92 Ų92115.5 Ų115.549%0.49254%0.538SS..Hα-helixtrans-65-46.9174.9-78-56.8000112Q258 Q259 A264 A265 Q266Q258-N262 PolarHBondContact O-N 3.11Å; Q258-N262 PolarHBondContact O-ND2 3.46Å; Q259-N262 PolarHBondContact O-N 2.97Å; N262-A264 VanDerWaalsContact C-N 3.33Å; N262-A264 PolarHBondContact O-N 3.35Å; N262-A265 WeakPolarHBondContact O-CB 3.4Å; N262-A265 PolarHBondContact O-N 2.63Å; N262-A265 VanDerWaalsContact O-N 3.15Å; N262-Q266 WeakPolarHBondContact O-CG 3.34Å; N262-Q266 PolarHBondContact O-N 2.84Å
263D87.7Confident85.6Confident69 Ų69112.8 Ų112.837%0.36954%0.537SS..Hα-helixtrans-61.8-40.5175.5-795.4000111.8Q259 Q266 R267Q259-D263 PolarHBondContact O-N 2.92Å; D263-Q266 PolarHBondContact O-N 2.61Å; D263-R267 WeakPolarHBondContact O-CB 3.49Å; D263-R267 VanDerWaalsContact O-CG 3.24Å; D263-R267 WeakPolarHBondContact O-CG 3.34Å; D263-R267 PolarHBondContact O-N 2.85Å
264A86.8Confident84.6Confident38 Ų38110.3 Ų110.331%0.31453%0.534SS..Hα-helixtrans-67.7-34.817500000112.1Q260 Q261 N262 K268Q260-A264 WeakPolarHBondContact O-CB 3.36Å; Q260-A264 PolarHBondContact O-N 2.84Å; Q261-A264 PolarHBondContact O-N 2.86Å; N262-A264 VanDerWaalsContact C-N 3.33Å; N262-A264 PolarHBondContact O-N 3.35Å; A264-K268 VanDerWaalsContact O-CB 3.28Å; A264-K268 WeakPolarHBondContact O-CB 3.38Å; A264-K268 WeakPolarHBondContact O-CD 3.35Å; A264-K268 WeakPolarHBondContact O-CG 3.42Å; A264-K268 PolarHBondContact O-N 3.44Å
265A86.6Confident83.6Confident53 Ų53106.7 Ų106.744%0.43853%0.532SS..Hα-helixtrans-67.3-45.2173.900000111.3Q261 N262 K268 A269Q261-A265 VanDerWaalsContact O-CB 3.29Å; Q261-A265 WeakPolarHBondContact O-CB 3.41Å; Q261-A265 PolarHBondContact O-N 2.81Å; N262-A265 WeakPolarHBondContact O-CB 3.4Å; N262-A265 PolarHBondContact O-N 2.63Å; N262-A265 VanDerWaalsContact O-N 3.15Å; A265-K268 PolarHBondContact O-N 2.88Å; A265-A269 WeakPolarHBondContact O-CB 3.4Å; A265-A269 PolarHBondContact O-N 3.16Å
266Q84.7Confident82.9Confident129 Ų129105 Ų10560%0.60353%0.53SS*.Hα-helixtrans-60.9-48.1173.7-69.3-17622.800111.5N262 D263 K268 A269 V270N262-Q266 WeakPolarHBondContact O-CG 3.34Å; N262-Q266 PolarHBondContact O-N 2.84Å; D263-Q266 PolarHBondContact O-N 2.61Å; Q266-K268 VanDerWaalsContact C-N 3.29Å; Q266-K268 PolarHBondContact O-N 3.11Å; Q266-A269 WeakPolarHBondContact O-CB 3.29Å; Q266-A269 PolarHBondContact O-N 3Å; Q266-V270 WeakPolarHBondContact O-CG2 3.49Å; Q266-V270 PolarHBondContact O-N 3.46Å
267R82.8Confident82.1Confident176 Ų176106.4 Ų106.466%0.66454%0.537SS*.Hα-helixtrans-61-35.1175.8-72.7173.4-179.7-161.11.8112.7D263 R271D263-R267 WeakPolarHBondContact O-CB 3.49Å; D263-R267 VanDerWaalsContact O-CG 3.24Å; D263-R267 WeakPolarHBondContact O-CG 3.34Å; D263-R267 PolarHBondContact O-N 2.85Å; R267-R271 WeakPolarHBondContact O-CB 3.39Å; R267-R271 WeakPolarHBondContact O-CG 3.24Å; R267-R271 PolarHBondContact O-N 2.65Å; R267-R271 VanDerWaalsContact O-N 3.11Å
268K82.6Confident81.4Confident144 Ų144108 Ų10863%0.62654%0.542SS*.Hα-helixtrans-69.8-34.8172.3-77.1166.7-176.4172.10112.1A264 A265 Q266 R272A264-K268 VanDerWaalsContact O-CB 3.28Å; A264-K268 WeakPolarHBondContact O-CB 3.38Å; A264-K268 WeakPolarHBondContact O-CD 3.35Å; A264-K268 WeakPolarHBondContact O-CG 3.42Å; A264-K268 PolarHBondContact O-N 3.44Å; A265-K268 PolarHBondContact O-N 2.88Å; Q266-K268 VanDerWaalsContact C-N 3.29Å; Q266-K268 PolarHBondContact O-N 3.11Å; K268-R272 VanDerWaalsContact O-CB 3.26Å; K268-R272 WeakPolarHBondContact O-CB 3.49Å; K268-R272 PolarHBondContact O-N 2.81Å
269A78.6Confident80.6Confident60 Ų60107 Ų10750%0.49655%0.547SS..Hα-helixtrans-68.1-47.517600000111.7A265 Q266 R272 G273A265-A269 WeakPolarHBondContact O-CB 3.4Å; A265-A269 PolarHBondContact O-N 3.16Å; Q266-A269 WeakPolarHBondContact O-CB 3.29Å; Q266-A269 PolarHBondContact O-N 3Å; A269-R272 WeakPolarHBondContact O-CB 3.31Å; A269-R272 PolarHBondContact O-N 3Å; A269-R272 VanDerWaalsContact O-N 3.15Å; A269-G273 PolarHBondContact O-N 2.8Å
270V79.7Confident79.8Confident93 Ų93106 Ų10656%0.56455%0.545SS*.Hα-helixtrans-57.1-55.1174.4175.70000110.5Q266 R272 G273 D274Q266-V270 WeakPolarHBondContact O-CG2 3.49Å; Q266-V270 PolarHBondContact O-N 3.46Å; V270-R272 PolarHBondContact O-N 3.01Å; V270-R272 VanDerWaalsContact O-N 3.09Å; V270-G273 WeakPolarHBondContact O-CA 3.31Å; V270-G273 PolarHBondContact O-N 3.49Å; V270-D274 VanDerWaalsContact O-CG 3.32Å; V270-D274 PolarHBondContact O-N 2.72Å
271R75.3Confident79.2Confident189 Ų189105.1 Ų105.171%0.71354%0.541SS*.Hα-helixtrans-58.4-27.1177.3-74.5-179.5175.6-165.6-0.6114.1R267 D274 S275R267-R271 WeakPolarHBondContact O-CB 3.39Å; R267-R271 WeakPolarHBondContact O-CG 3.24Å; R267-R271 PolarHBondContact O-N 2.65Å; R267-R271 VanDerWaalsContact O-N 3.11Å; R271-D274 WeakPolarHBondContact CA-OD2 3.35Å; R271-S275 WeakPolarHBondContact O-CB 3.38Å; R271-S275 PolarHBondContact O-N 2.71Å; R271-S275 VanDerWaalsContact O-N 3.09Å
272R74.6Confident78.3Confident183 Ų183101.2 Ų101.269%0.69153%0.53SS*.Hα-helixtrans-74-36.5174.4-173.8-177.4-68.1172.6-2.8111.1K268 A269 V270 V276K268-R272 VanDerWaalsContact O-CB 3.26Å; K268-R272 WeakPolarHBondContact O-CB 3.49Å; K268-R272 PolarHBondContact O-N 2.81Å; A269-R272 WeakPolarHBondContact O-CB 3.31Å; A269-R272 PolarHBondContact O-N 3Å; A269-R272 VanDerWaalsContact O-N 3.15Å; V270-R272 PolarHBondContact O-N 3.01Å; V270-R272 VanDerWaalsContact O-N 3.09Å; R272-V276 WeakPolarHBondContact O-CB 3.48Å; R272-V276 VanDerWaalsContact O-CG2 3.24Å; R272-V276 WeakPolarHBondContact O-CG2 3.35Å; R272-V276 PolarHBondContact O-N 3.08Å
273G74.3Confident77.5Confident41 Ų4199.5 Ų99.542%0.42353%0.528SS..Hα-helixtrans-58.2-60168.500000111.4A269 V270 S275 V276 E277A269-G273 PolarHBondContact O-N 2.8Å; V270-G273 WeakPolarHBondContact O-CA 3.31Å; V270-G273 PolarHBondContact O-N 3.49Å; G273-S275 PolarHBondContact O-N 3.4Å; G273-S275 VanDerWaalsContact O-N 3.15Å; G273-V276 PolarHBondContact O-N 3.27Å; G273-E277 PolarHBondContact O-N 2.8Å
274D72.9Confident76.9Confident89 Ų8999 Ų9948%0.47653%0.531SS..Hα-helixtrans-51.2-42.8179.6-45.9-27.8000112V270 R271 K278V270-D274 VanDerWaalsContact O-CG 3.32Å; V270-D274 PolarHBondContact O-N 2.72Å; R271-D274 WeakPolarHBondContact CA-OD2 3.35Å; D274-K278 VanDerWaalsContact O-CB 3.27Å; D274-K278 WeakPolarHBondContact O-CB 3.49Å; D274-K278 PolarHBondContact O-N 3.26Å
275S71.2Confident76Confident79 Ų79101.6 Ų101.655%0.55254%0.539SS*.Hα-helixtrans-73.8-30.9-178.2-169.20000113.4R271 G273 A279R271-S275 WeakPolarHBondContact O-CB 3.38Å; R271-S275 PolarHBondContact O-N 2.71Å; R271-S275 VanDerWaalsContact O-N 3.09Å; G273-S275 PolarHBondContact O-N 3.4Å; G273-S275 VanDerWaalsContact O-N 3.15Å; S275-A279 WeakPolarHBondContact O-CB 3.47Å; S275-A279 PolarHBondContact O-N 3.37Å
276V77.3Confident74.9Confident80 Ų80104.1 Ų104.149%0.48554%0.544SS..Hα-helixtrans-72.2-43.6174.3165.10000110.7R272 G273 A279 N280R272-V276 WeakPolarHBondContact O-CB 3.48Å; R272-V276 VanDerWaalsContact O-CG2 3.24Å; R272-V276 WeakPolarHBondContact O-CG2 3.35Å; R272-V276 PolarHBondContact O-N 3.08Å; G273-V276 PolarHBondContact O-N 3.27Å; V276-A279 PolarHBondContact O-N 3.32Å; V276-N280 PolarHBondContact O-N 3.43Å; V276-N280 PolarHBondContact O-ND2 2.88Å
277E73.6Confident73.9Confident147 Ų147102.6 Ų102.669%0.68755%0.547SS*.Hα-helixtrans-60.2-47.5176.1-171.7166.3-133.600111G273 A279 N280 E281G273-E277 PolarHBondContact O-N 2.8Å; E277-A279 VanDerWaalsContact C-N 3.34Å; E277-A279 PolarHBondContact O-N 2.89Å; E277-N280 WeakPolarHBondContact O-CB 3.31Å; E277-N280 PolarHBondContact O-N 3.23Å; E277-E281 PolarHBondContact O-N 3.47Å
278K75.9Confident73.1Confident145 Ų145101 Ų10163%0.6355%0.547SS*.Hα-helixtrans-68.5-28.4177.7-157162.5-162158.40114D274 A282D274-K278 VanDerWaalsContact O-CB 3.27Å; D274-K278 WeakPolarHBondContact O-CB 3.49Å; D274-K278 PolarHBondContact O-N 3.26Å; K278-A282 WeakPolarHBondContact O-CB 3.48Å; K278-A282 PolarHBondContact O-N 2.82Å
279A73.3Confident72Confident54 Ų54102.5 Ų102.545%0.44655%0.549SS..Hα-helixtrans-70.3-38171.300000112S275 V276 E277 A282 A283S275-A279 WeakPolarHBondContact O-CB 3.47Å; S275-A279 PolarHBondContact O-N 3.37Å; V276-A279 PolarHBondContact O-N 3.32Å; E277-A279 VanDerWaalsContact C-N 3.34Å; E277-A279 PolarHBondContact O-N 2.89Å; A279-A282 PolarHBondContact O-N 2.63Å; A279-A283 WeakPolarHBondContact O-CB 3.45Å; A279-A283 PolarHBondContact O-N 2.98Å
280N75.1Confident71.2Confident108 Ų108105 Ų10558%0.57857%0.569SS**Hα-helixtrans-67.5-41.5174.7-69.7-25.5000111.6V276 E277 A283 S284V276-N280 PolarHBondContact O-N 3.43Å; V276-N280 PolarHBondContact O-ND2 2.88Å; E277-N280 WeakPolarHBondContact O-CB 3.31Å; E277-N280 PolarHBondContact O-N 3.23Å; N280-A283 PolarHBondContact O-N 3.4Å; N280-S284 PolarHBondContact O-N 2.96Å
281E76.3Confident70.4Confident115 Ų115105.7 Ų105.754%0.53757%0.574SS.*Hα-helixtrans-57-51.8171.5-175-172-162.100111E277 A283 S284 L285E277-E281 PolarHBondContact O-N 3.47Å; E281-A283 VanDerWaalsContact C-N 3.34Å; E281-A283 PolarHBondContact O-N 3Å; E281-S284 WeakPolarHBondContact O-CB 3.37Å; E281-S284 PolarHBondContact O-N 3.1Å; E281-L285 HydrophobicContact CG-CD1 4.32Å; E281-L285 WeakPolarHBondContact O-CG 3.34Å; E281-L285 PolarHBondContact O-N 3.07Å
282A67.6Low69.8Low42 Ų42101 Ų10135%0.34756%0.562SS.*Hα-helixtrans-61.7-39178.100000112.8K278 A279 L285 I286K278-A282 WeakPolarHBondContact O-CB 3.48Å; K278-A282 PolarHBondContact O-N 2.82Å; A279-A282 PolarHBondContact O-N 2.63Å; A282-L285 PolarHBondContact O-N 3.1Å; A282-I286 WeakPolarHBondContact O-CB 3.35Å; A282-I286 WeakPolarHBondContact O-CD1 3.22Å; A282-I286 WeakPolarHBondContact O-CG1 3.46Å; A282-I286 PolarHBondContact O-N 2.9Å
283A71.9Confident69Low55 Ų5597 Ų9746%0.45556%0.56SS.*Hα-helixtrans-63.7-40.4175.700000112A279 N280 E281 I286 S287A279-A283 WeakPolarHBondContact O-CB 3.45Å; A279-A283 PolarHBondContact O-N 2.98Å; N280-A283 PolarHBondContact O-N 3.4Å; E281-A283 VanDerWaalsContact C-N 3.34Å; E281-A283 PolarHBondContact O-N 3Å; A283-I286 PolarHBondContact O-N 3.12Å; A283-S287 PolarHBondContact O-N 2.83Å; A283-S287 PolarHBondContact O-OG 2.83Å
284S74.1Confident68.2Low60 Ų60105 Ų10542%0.4258%0.578SS.*Hα-helixtrans-64.2-38.5174.5-169.90000112.5N280 E281 I286 S287 Q288N280-S284 PolarHBondContact O-N 2.96Å; E281-S284 WeakPolarHBondContact O-CB 3.37Å; E281-S284 PolarHBondContact O-N 3.1Å; S284-I286 VanDerWaalsContact C-N 3.3Å; S284-I286 PolarHBondContact O-N 3.08Å; S284-S287 PolarHBondContact O-OG 2.84Å; S284-S287 VanDerWaalsContact O-OG 3.09Å; S284-Q288 WeakPolarHBondContact O-CG 3.44Å; S284-Q288 PolarHBondContact O-NE2 3.28Å; S284-Q288 VanDerWaalsContact O-NE2 3.13Å
285L67.4Low67.4Low92 Ų92107 Ų10748%0.48258%0.584SS.*Hα-helixtrans-74-17.2174.8-68.1171.6000113.9E281 A282 R289E281-L285 HydrophobicContact CG-CD1 4.32Å; E281-L285 WeakPolarHBondContact O-CG 3.34Å; E281-L285 PolarHBondContact O-N 3.07Å; A282-L285 PolarHBondContact O-N 3.1Å; L285-R289 PolarHBondContact O-NE 2.84Å
286I63.1Low66.6Low106 Ų106109.1 Ų109.154%0.54459%0.587SS.*Hα-helixtrans-90-38.8176.1-72165.2000111A282 A283 S284 Q288 R289A282-I286 WeakPolarHBondContact O-CB 3.35Å; A282-I286 WeakPolarHBondContact O-CD1 3.22Å; A282-I286 WeakPolarHBondContact O-CG1 3.46Å; A282-I286 PolarHBondContact O-N 2.9Å; A283-I286 PolarHBondContact O-N 3.12Å; S284-I286 VanDerWaalsContact C-N 3.3Å; S284-I286 PolarHBondContact O-N 3.08Å; I286-Q288 PolarHBondContact O-N 2.96Å; I286-R289 WeakPolarHBondContact O-CB 2.9Å; I286-R289 PolarHBondContact O-N 2.87Å; I286-R289 VanDerWaalsContact O-N 3.09Å
287S64.7Low65.5Low96 Ų96112.7 Ų112.767%0.67160%0.596SS**Hα-helixtrans-65.3-24.2177.7650000113.4A283 S284 R289A283-S287 PolarHBondContact O-N 2.83Å; A283-S287 PolarHBondContact O-OG 2.83Å; S284-S287 PolarHBondContact O-OG 2.84Å; S284-S287 VanDerWaalsContact O-OG 3.09Å; S287-R289 PolarHBondContact O-N 2.81Å
288Q66.9Low64.8Low144 Ų144113.3 Ų113.367%0.67360%0.597SS**THydrogen-bonded Turntrans-76.10.6173.8-67.417344.200114.1S284 I286S284-Q288 WeakPolarHBondContact O-CG 3.44Å; S284-Q288 PolarHBondContact O-NE2 3.28Å; S284-Q288 VanDerWaalsContact O-NE2 3.13Å; I286-Q288 PolarHBondContact O-N 2.96Å
289R59.3Low63.8Low175 Ų175113.9 Ų113.966%0.6660%0.601SS**  trans-96.6125.7-179.1-60.9-179.5-176.4-168.7-4.1111.5L285 I286 S287 V291L285-R289 PolarHBondContact O-NE 2.84Å; I286-R289 WeakPolarHBondContact O-CB 2.9Å; I286-R289 PolarHBondContact O-N 2.87Å; I286-R289 VanDerWaalsContact O-N 3.09Å; S287-R289 PolarHBondContact O-N 2.81Å; R289-V291 VanDerWaalsContact C-N 3.26Å; R289-V291 PolarHBondContact O-N 2.84Å; R289-V291 VanDerWaalsContact O-N 3.13Å
290A61.3Low62.8Low111 Ų111121.7 Ų121.792%0.91762%0.619SS**SBendtrans-70.9-5.2-171.800000116.5
291V62.5Low61.9Low109 Ų109124.4 Ų124.466%0.66163%0.629SS**SBendtrans-142132.5-178.3-169.60000110.6R289 P293R289-V291 VanDerWaalsContact C-N 3.26Å; R289-V291 PolarHBondContact O-N 2.84Å; R289-V291 VanDerWaalsContact O-N 3.13Å; V291-P293 WeakPolarHBondContact O-CD 3.29Å
292N63.1Low60.9Low89 Ų89130 Ų13048%0.47665%0.645SS.*  trans-93109.1180-174.3-11.8000111.5R294 E295N292-R294 PolarHBondContact O-N 3.2Å; N292-R294 VanDerWaalsContact O-N 3.12Å; N292-R294 WeakPolarHBondContact OD1-CB 3.48Å; N292-R294 PolarHBondContact OD1-N 3.28Å; N292-R294 VanDerWaalsContact OD1-N 3.08Å; N292-E295 HydrophobicContact CB-CG 4.47Å; N292-E295 PolarHBondContact O-N 3.31Å
293P58.3Low60.1Low99 Ų99131.1 Ų131.164%0.64366%0.661SS**Hα-helixtrans-67.7-15.1-176.228.6-35.8000113.7V291 E295V291-P293 WeakPolarHBondContact O-CD 3.29Å; P293-E295 VanDerWaalsContact C-N 3.28Å; P293-E295 PolarHBondContact O-N 2.95Å
294R55.7Low58.7Low209 Ų209135.2 Ų135.279%0.78968%0.68SS**Hα-helixtrans-76-14.9-179.3-156.1172.3-173.91781.2113.2N292N292-R294 PolarHBondContact O-N 3.2Å; N292-R294 VanDerWaalsContact O-N 3.12Å; N292-R294 WeakPolarHBondContact OD1-CB 3.48Å; N292-R294 PolarHBondContact OD1-N 3.28Å; N292-R294 VanDerWaalsContact OD1-N 3.08Å
295E57.9Low57Low132 Ų132138.6 Ų138.662%0.61770%0.698SS**Hα-helixtrans-87.2-36.7174.1-59.2-162.4129.600112.2N292 P293 F297 K298 Q299N292-E295 HydrophobicContact CB-CG 4.47Å; N292-E295 PolarHBondContact O-N 3.31Å; P293-E295 VanDerWaalsContact C-N 3.28Å; P293-E295 PolarHBondContact O-N 2.95Å; E295-F297 PolarHBondContact O-N 3.02Å; E295-K298 PolarHBondContact O-N 3Å; E295-Q299 PolarHBondContact O-N 2.72Å
296M54.3Low56Low124 Ų124140.4 Ų140.461%0.61172%0.715SS**Hα-helixtrans-53.8-38.7177.3-63.3-69.5-73.700112.5
297F53.4Low54.6Low155 Ų155140 Ų14068%0.6872%0.722SS**Hα-helixtrans-71.2-37.7178.3-118.8-93.5000112.9E295 Q299 R300E295-F297 PolarHBondContact O-N 3.02Å; F297-Q299 PolarHBondContact O-N 3.33Å; F297-R300 PolarHBondContact O-N 2.66Å; F297-R300 VanDerWaalsContact O-N 3.1Å
298K59Low53.3Low160 Ų160142.4 Ų142.470%0.69673%0.727SS**Hα-helixtrans-65.9-22.6-179.7-78.8-170.5170.4-172.10113.9E295 R300E295-K298 PolarHBondContact O-N 3Å; K298-R300 VanDerWaalsContact C-N 3.31Å
299Q54.3Low51.8Low156 Ų156140.3 Ų140.373%0.72973%0.728SS**THydrogen-bonded Turntrans-73.4-23.2175-72.5-175.2-17.500112.9E295 F297E295-Q299 PolarHBondContact O-N 2.72Å; F297-Q299 PolarHBondContact O-N 3.33Å
300R53.3Low50.5Low218 Ų218139.6 Ų139.682%0.82374%0.738SS**THydrogen-bonded Turntrans-83.1-18.7-172.9-159.2172.5-175.7-165.8-0.2114.4F297 K298 R302F297-R300 PolarHBondContact O-N 2.66Å; F297-R300 VanDerWaalsContact O-N 3.1Å; K298-R300 VanDerWaalsContact C-N 3.31Å; R300-R302 VanDerWaalsContact C-N 3.33Å
301E54.8Low49.2Very low165 Ų165138.7 Ų138.777%0.77173%0.73SS**THydrogen-bonded Turntrans-87.32-179-63-179.6151.500113.5
302R55.1Low48.7Very low232 Ų232139.3 Ų139.388%0.87574%0.736SS**SBendtrans-99.423.4-165.8-142.3-177.6-149.3-126.43.5115.8R300R300-R302 VanDerWaalsContact C-N 3.33Å
303G50.6Low47.1Very low66 Ų66140.7 Ų140.768%0.6875%0.753SS**  trans-166.559.6-17100000118.2
304V42.8Very low45.8Very low141 Ų141140.2 Ų140.286%0.85576%0.757SS**  trans-143.1132.3156.3-175.90000109.9
305T40Very low44.7Very low132 Ų132134.9 Ų134.981%0.8176%0.758SS**  trans-139.5154.4160.3630000106.9
306P45.2Very low44Very low130 Ų130134.6 Ų134.684%0.84477%0.768SS**  -144-156.778.840.1-20.8000113
307S35Very low43.1Very low97 Ų97136.2 Ų136.268%0.67878%0.779SS**  trans-120.1152.9-166.2-133.70000114.5
308D35.7Very low42.1Very low147 Ų147133.8 Ų133.879%0.78678%0.781SS**  trans69.2144.6144.6-64.4-53.8000125.5
309S35.8Very low41.5Very low99 Ų99132 Ų13269%0.69279%0.786SS**  trans90.6106.6152.1-84.80000122.9
310D32.2Very low40.7Very low161 Ų161133.8 Ų133.886%0.86179%0.794SS**  trans75.9154.2139.3-57.8-50.3000121.8
311A33.8Very low40.2Very low91 Ų91129.4 Ų129.475%0.75279%0.794SS**  trans-154-173.9-163.700000109.3
312P52Low39.4Very low122 Ų122125.2 Ų125.279%0.79280%0.795SS**  cis-132.1177.9-7.241.6-26.1000114.6
313S30.6Very low39.2Very low119 Ų119125.9 Ų125.983%0.83280%0.798SS**  150.2151.2118.3-163.30000115.5
314A31Very low39Very low88 Ų88131.6 Ų131.673%0.72781%0.812SS**  trans74.6102.5157.400000121.9
315A31.6Very low39.1Very low97 Ų97136.7 Ų136.780%0.80282%0.816SS**  trans71164.4138.500000120.3
316P43.8Very low39.7Very low127 Ų127134 Ų13483%0.82580%0.802SS**  cis-123.2168.9-40.236.3-23.4000111.9
317D34.3Very low40.1Very low157 Ų157133.8 Ų133.884%0.8480%0.801SS**  trans-143.1148.1-179.3-148.6-22.1000114
318S33.4Very low40.6Very low105 Ų105138.2 Ų138.273%0.73481%0.808SS**  trans-179.2150.3179-80.40000112.2
319P46.9Very low41Very low122 Ų122138.5 Ų138.579%0.79281%0.809SS**  cis-129.6160.4-32.138.3-24.2000112.6
320Q37.6Very low41.7Very low193 Ų193138.8 Ų138.890%0.90281%0.811SS**  trans-112.3146.4168.5-86.8-166.4-4.300113.1
321P41.8Very low42.3Very low126 Ų126140.9 Ų140.982%0.81881%0.813SS**  trans-93.3158.8-174.537-36.1000114.1
322G38.7Very low42.5Very low78 Ų78146 Ų14680%0.80482%0.821SS**  trans98.283149.600000118
323R49.7Very low41.6Very low246 Ų246144.5 Ų144.593%0.92882%0.818SS**  trans-127.2119146.5-81.1-169.8174.9-102.11110.2
324L46.5Very low41.8Very low186 Ų186149.1 Ų149.197%0.97482%0.819SS**  trans-71131.2171.9-76.6165.1000109.7
325R45.7Very low42Very low247 Ų247152.3 Ų152.393%0.93282%0.819SS**  trans-104.1101.8-175.2-175.4179.7-173.4-117.25.3109.8
326S51.8Low42Very low75 Ų75153.7 Ų153.752%0.52482%0.823SS.*  trans-87.8141.817260.20000110.9F328S326-F328 PolarHBondContact O-N 2.86Å
327P54.4Low41.6Very low127 Ų127154.5 Ų154.583%0.82582%0.815SS**G310 helixtrans-81.30.4-179.533.1-36.1000113.9
328F45.8Very low41.6Very low189 Ų189157 Ų15783%0.82981%0.813SS**G310 helixtrans-89.4-6.8-166-163.3-105.8000114.9S326S326-F328 PolarHBondContact O-N 2.86Å
329L44.3Very low41.6Very low153 Ų153157.2 Ų157.280%0.80182%0.821SS**G310 helixtrans-113.129.6179.7-81.4164000112.6
330S50.5Low40.9Very low105 Ų105154.8 Ų154.873%0.73482%0.818SS**SBendtrans-144.648.7178.5-60.40000113.1
331K44.4Very low40.8Very low206 Ų206151.4 Ų151.490%0.89682%0.816SS**  trans-158100.1153.7-111.1172.9-175.8-174.30109.6
332Q37.6Very low41Very low199 Ų199151.2 Ų151.293%0.9382%0.815SS**  trans-81.9152163.6-166.5165.5-3.700108.5
333A33.2Very low41.5Very low89 Ų89153.1 Ų153.174%0.73681%0.813SS**  trans-76.9148.5-165.900000114.2
334Y34Very low40.4Very low217 Ų217153 Ų15385%0.85181%0.812SS**  -136155.8130-162.3-105.7000109
335E35.4Very low40.1Very low155 Ų155153.3 Ų153.372%0.72481%0.809SS**  trans-89.8159-163-69.1157.9127.500113.2
336S32.1Very low39.4Very low126 Ų126146.3 Ų146.388%0.88180%0.804SS**  trans-118.985.3177.4171.50000108.9
337E35.9Very low38.4Very low143 Ų143148.2 Ų148.267%0.66882%0.817SS**PPolyproline II helixtrans-80.5156.9-177.8-101-61.6145.700114.3
338R33.5Very low37.7Very low210 Ų210147.9 Ų147.979%0.79282%0.815SS**PPolyproline II helixtrans-54.4154.4-162.2-69.9163.2162.1114.3-9.1117.9
339A34.8Very low37.1Very low109 Ų109144.4 Ų144.490%0.90181%0.814SS**PPolyproline II helixtrans-82.6147.1154.700000111.7
340G31.6Very low37Very low71 Ų71143 Ų14373%0.73282%0.815SS**  trans-168.152.9-171.600000118.7
341S34.9Very low36.3Very low123 Ų123144.8 Ų144.886%0.8682%0.821SS**  trans72.9146.4158.3-56.10000120.9
342P45.5Very low36.2Very low121 Ų121140.9 Ų140.979%0.78682%0.816SS**  trans-117.6-160.9176.846.7-37000112
343P48.9Very low35.9Very low119 Ų119136.1 Ų136.177%0.77381%0.811SS**  cis-126178.4-30.931.8-13.9000113.4
344R28.6Very low35.8Very low242 Ų242136.4 Ų136.491%0.91381%0.813SS**  trans-155.3138.1145.5-133.1176.5-165.7-100.53.1112.1
345Q40Very low35.8Very low194 Ų194132.6 Ų132.691%0.90781%0.812SS**  trans-97.9142.5167.4-74.2177.6-53.200110.2
346A29.3Very low35.7Very low99 Ų99132.3 Ų132.382%0.81882%0.821SS**  trans-158.1156.816200000110.2
347S32.4Very low35.6Very low115 Ų115137.9 Ų137.980%0.80482%0.822SS**  trans-46.8158.9-169.6-43.80000119.5
348P38.5Very low35.5Very low120 Ų120135.3 Ų135.378%0.77983%0.826SS**  trans-89.2178.9169.838.2-36.1000114
349S33.8Very low35.3Very low117 Ų117132.3 Ų132.382%0.81883%0.831SS**  trans82.6150.7-179.8-61.90000116.1
350P42.6Very low35.3Very low124 Ų124136 Ų13681%0.80583%0.83SS**  cis-116.8-177.98.542.2-31.4000115.5
351V35.2Very low36.5Very low142 Ų142137.8 Ų137.886%0.86183%0.828SS**  trans-128.3138.9170.2-75.90000111.5
352P42.3Very low36.2Very low123 Ų123138.3 Ų138.380%0.79982%0.822SS**  trans-114.7133-17837.9-29.9000117
353A31Very low35.6Very low99 Ų99139 Ų13982%0.81882%0.818SS**  trans44.1120.6137.100000124.4
354A32.5Very low34.8Very low95 Ų95139.5 Ų139.579%0.78581%0.814SS**  179.5115.7128.200000108.6
355V32.9Very low34.9Very low137 Ų137134.2 Ų134.283%0.8380%0.804SS**  79.1106.451.7-179.30000114.9
356V33.4Very low34.5Very low150 Ų150130.6 Ų130.691%0.90979%0.791SS**  trans-157.2153.8149-102.50000111.4
357R30Very low34.4Very low242 Ų242133.6 Ų133.691%0.91379%0.788SS**  trans-82.9148.7175.2-79.4170.6165.3149.9-7.7110.6
358A33.7Very low34.2Very low90 Ų90132.4 Ų132.474%0.74479%0.785SS**  cis91.4118.338.600000114.6
359T29.2Very low33.6Very low147 Ų147133.3 Ų133.390%0.90279%0.788SS**  trans-164143.5170.513.30000112.5
360E35Very low33.4Very low187 Ų187136.6 Ų136.687%0.87479%0.788SS**  trans-151.9174168-75.4-167.5131.900107
361P56.4Low32.8Very low107 Ų107139.3 Ų139.370%0.69579%0.79SS**  cis-123.5-173.1-20.631.9-11.6000112.1
362D29.6Very low32.4Very low135 Ų135139 Ų13972%0.72278%0.777SS**  169.6139.4115.8-107.7-2.4000116.7
363L33Very low31.7Very low134 Ų134141 Ų14170%0.70278%0.781SS**  trans56.3125.5141.8-59169.7000124.9
364N31.1Very low31.8Very low130 Ų130142.3 Ų142.370%0.69577%0.771SS**  64.6151.9129.2-68.746.5000121.4
365D31.4Very low31.4Very low132 Ų132146.3 Ų146.371%0.70677%0.773SS**  cis-156.9166.7-8.8-136.1-34.4000112.9
366D30.7Very low31.4Very low118 Ų118147.7 Ų147.763%0.63177%0.771SS**  trans56.3134.4146.3-123.4-13.1000126.8
367Q28.2Very low31.1Very low162 Ų162149 Ų14976%0.75777%0.767SS**  trans52.6122.5143.3-91.8165.477.400127.3
368A28.2Very low30.9Very low90 Ų90146.6 Ų146.674%0.74477%0.766SS**  trans66.3154.213400000120
369T25.6Very low30.4Very low138 Ų138148.3 Ų148.385%0.84777%0.767SS**  cis-142.7176.924.239.40000114.8
370F28.6Very low31.3Very low187 Ų187146.7 Ų146.782%0.8276%0.759SS**  trans-51.6164.9159.5-83.1-122000112.3
371E29.7Very low31.7Very low181 Ų181143.4 Ų143.485%0.84675%0.754SS**  cis-156.7-179.548-78.1-176.1145.200111.2
372K28.3Very low30.4Very low134 Ų134147.2 Ų147.258%0.58376%0.763SS**  cis176.6142.7-35.9-176.1-166.6177.1-162.90106.7E374K372-E374 WeakPolarHBondContact CE-OE2 3.47Å; K372-E374 IonicContact NZ-OE2 3.7Å; K372-E374 PolarHBondContact NZ-OE2 3.31Å
373D26.5Very low30.4Very low165 Ų165149.8 Ų149.888%0.88277%0.77SS**  trans-159.5153.1147.6-120.9-29.6000112.4
374E32.8Very low30.1Very low128 Ų128150.5 Ų150.560%0.59877%0.77SS**  trans-143.1154.1-170.2-71.1-178.3113.500113.8K372K372-E374 WeakPolarHBondContact CE-OE2 3.47Å; K372-E374 IonicContact NZ-OE2 3.7Å; K372-E374 PolarHBondContact NZ-OE2 3.31Å
375Q25.2Very low30Very low178 Ų178153 Ų15383%0.83277%0.77SS**  trans-176.7111.7142.7-99.7151.237.800107.6
376E32.7Very low29.7Very low167 Ų167155 Ų15578%0.7877%0.772SS**  64.5140.777.9-68.2-173.2129.100113.9
377Q27.5Very low29.5Very low177 Ų177155.7 Ų155.783%0.82777%0.772SS**  cis164.6135.5-26.6-115.3-161.652.700105.5
378E26Very low29.5Very low191 Ų191156.6 Ų156.689%0.89378%0.776SS**  trans-172.6150.8147-116.1-178.4-172.600113.9
379T23.6Very low29.4Very low127 Ų127156.4 Ų156.478%0.77978%0.775SS**  trans-161.9-177.5179.356.60000108.5
380P47.1Very low30.6Very low112 Ų112155.8 Ų155.873%0.72777%0.773SS**  cis-115.4-106.4-226.5-0.5000112.5
381P43.7Very low30.5Very low119 Ų119151.6 Ų151.677%0.77377%0.773SS**  cis-104.5-148.80.844-34.8000113.6
382Q29.1Very low30.4Very low187 Ų187147.2 Ų147.287%0.87477%0.767SS**  trans-149.9165.7178.5-54.3176.7-78.100111.6
383E29.7Very low30.4Very low188 Ų188148.3 Ų148.388%0.87978%0.779SS**  trans-169.2151.7144.1-104.3172.5-17400107.9
384E26.9Very low30.4Very low150 Ų150145.7 Ų145.770%0.70177%0.774SS**  cis-140.6173.63.1-138.6-156.7142.900110.8K386E384-K386 IonicContact OE1-NZ 3.9Å; E384-K386 PolarHBondContact OE1-NZ 2.88Å
385R27.8Very low30.4Very low183 Ų183150.2 Ų150.269%0.69179%0.787SS**  trans-137.1146.6179166.6-163.5-92.5-109.82110.9E387R385-E387 IonicContact CZ-OE1 3.2Å; R385-E387 IonicContact CZ-OE2 2.81Å; R385-E387 IonicContact NH1-OE1 3.4Å; R385-E387 PolarHBondContact NH1-OE1 2.82Å; R385-E387 IonicContact NH1-OE2 2.71Å; R385-E387 PolarHBondContact NH1-OE2 2.91Å
386K25.1Very low30.5Very low172 Ų172146.5 Ų146.575%0.74878%0.777SS**  trans-158.5141.3147.1-96.7124.2-163.2165.70114E384E384-K386 IonicContact OE1-NZ 3.9Å; E384-K386 PolarHBondContact OE1-NZ 2.88Å
387E28.3Very low30.3Very low134 Ų134148 Ų14863%0.62678%0.784SS**  trans-90.5-171.6162.2-68.4121.6129.900109.4R385R385-E387 IonicContact CZ-OE1 3.2Å; R385-E387 IonicContact CZ-OE2 2.81Å; R385-E387 IonicContact NH1-OE1 3.4Å; R385-E387 PolarHBondContact NH1-OE1 2.82Å; R385-E387 IonicContact NH1-OE2 2.71Å; R385-E387 PolarHBondContact NH1-OE2 2.91Å
388E27.1Very low30.4Very low180 Ų180146.7 Ų146.784%0.84178%0.778SS**  cis-167.2132.123.1-162.7-178.215900114.1
389A26Very low30.5Very low87 Ų87143.7 Ų143.772%0.71977%0.772SS**  trans50.9-167.314400000122
390P51.3Low31.1Very low125 Ų125143.5 Ų143.581%0.81277%0.774SS**  -137.8-179.9-124.337.5-13.3000118.3
391A26.8Very low30.3Very low99 Ų99147.7 Ų147.782%0.81878%0.776SS**  trans153.1158.9133.400000117.6
392A28.1Very low29.6Very low89 Ų89151.6 Ų151.674%0.73678%0.784SS**  trans82.793.9144.200000124.3
393N27.6Very low29.9Very low156 Ų156149.4 Ų149.483%0.83477%0.774SS**  61.4157.5122.2-75.39.9000125.6
394S27.2Very low30.3Very low111 Ų111146.1 Ų146.178%0.77677%0.769SS**  trans86.1137.8164.677.20000117.7
395Y30.7Very low30.4Very low222 Ų222142.9 Ų142.987%0.87177%0.768SS**  cis-147.7168.1-10.2-144.5-101.1000112.2
396V28.5Very low31.1Very low101 Ų101143.2 Ų143.261%0.61278%0.777SS**  trans-87.5157.2-165.7-147.70000114.1E398V396-E398 HydrophobicContact CG1-CG 3.75Å
397E28.1Very low31.3Very low197 Ų197142 Ų14292%0.92178%0.784SS**  trans-145.5145.8133.1-165.2157-137.700110
398E29.1Very low31.4Very low151 Ų151142.7 Ų142.771%0.70679%0.792SS**  trans-129.8167.5-169.3-71.3-172.8139.500113.4V396V396-E398 HydrophobicContact CG1-CG 3.75Å
399T28.6Very low32.1Very low127 Ų127143.3 Ų143.378%0.77980%0.795SS**  trans125.2152.4134.763.50000115.6
400P36.9Very low32.2Very low124 Ų124144.1 Ų144.181%0.80580%0.795SS**  cis-121.7173.3-9.121.31.9000114.8
401Y30.5Very low31.2Very low200 Ų200145.6 Ų145.678%0.78480%0.796SS**  trans-78.8157.7178-103.9-107.6000114.6E403Y401-E403 HydrophobicContact CD1-CB 4.43Å
402E28.9Very low31.2Very low200 Ų200147.3 Ų147.394%0.93579%0.792SS**  -153.4147116.2-119.3174-162.500111
403E35Very low31.5Very low142 Ų142152.1 Ų152.166%0.66479%0.792SS**  trans-137.3151.6-179.2-147.5-143.4110.600106.9Y401 A405Y401-E403 HydrophobicContact CD1-CB 4.43Å; E403-A405 PolarHBondContact OE1-N 2.82Å; E403-A405 VanDerWaalsContact OE1-N 3.1Å
404P38.2Very low31.8Very low118 Ų118152.8 Ų152.877%0.76679%0.79SS**  -151.8170.981.540.7-22.5000117.5
405A28.7Very low31.9Very low83 Ų83155 Ų15569%0.68679%0.79SS**  trans96.2137.4142.300000120.1E403E403-A405 PolarHBondContact OE1-N 2.82Å; E403-A405 VanDerWaalsContact OE1-N 3.1Å
406Q41.7Very low31.8Very low190 Ų190150.2 Ų150.289%0.88878%0.784SS**  trans-100.1146.1174.8-58.3177.5-37.800110.8
407V30.6Very low32.1Very low146 Ų146151.8 Ų151.889%0.88579%0.794SS**  trans-149.1154.6164.4-79.30000110.6
408D30.3Very low32.3Very low149 Ų149150 Ų15080%0.79779%0.785SS**  trans-58.8151.2-178-75.5-75.4000115.4
409E40.6Very low32.8Very low193 Ų193151.4 Ų151.490%0.90279%0.792SS**  trans-73.6121.4157.6-71.5-17498.100109.6
410S28.9Very low32.9Very low103 Ų103150.7 Ų150.772%0.7279%0.787SS**  trans-148.3104174.2-77.20000110.3N412S410-N412 PolarHBondContact O-N 2.66Å
411N30.5Very low33Very low157 Ų157150.7 Ų150.784%0.8479%0.791SS**  trans-73.583.7-179.6-79.6-51.5000111.5Y413N411-Y413 PolarHBondContact O-N 3.04Å
412N27.1Very low33.5Very low134 Ų134148.1 Ų148.172%0.71779%0.79SS**  trans-78.897.1170.2-173.835.9000110.6S410S410-N412 PolarHBondContact O-N 2.66Å
413Y34.5Very low34.7Very low190 Ų190150.3 Ų150.375%0.74579%0.79SS**  trans-92.6108.8163.962.3-84.3000109.1N411 M415N411-Y413 PolarHBondContact O-N 3.04Å; Y413-M415 VanDerWaalsContact C-N 3.28Å; Y413-M415 HydrophobicContact CD2-CB 4.25Å; Y413-M415 HydrophobicContact CE2-CB 4.4Å; Y413-M415 PolarHBondContact O-N 3.49Å
414E32.8Very low36.4Very low171 Ų171145.3 Ų145.380%0.79978%0.776SS**  trans-71.584.3173.2-69.9-172.8126.800110T416E414-T416 PolarHBondContact O-N 2.86Å
415M30.5Very low38.8Very low157 Ų157143.7 Ų143.777%0.77376%0.76SS**  trans-71.1110.8163.9-174163.4177.700108.2Y413 V417Y413-M415 VanDerWaalsContact C-N 3.28Å; Y413-M415 HydrophobicContact CD2-CB 4.25Å; Y413-M415 HydrophobicContact CE2-CB 4.4Å; Y413-M415 PolarHBondContact O-N 3.49Å; M415-V417 PolarHBondContact O-N 2.87Å; M415-V417 VanDerWaalsContact O-N 3.16Å
416T27.1Very low41.8Very low122 Ų122141.3 Ų141.375%0.74874%0.738SS**  trans-59117.9179.848.30000110.5E414 E418E414-T416 PolarHBondContact O-N 2.86Å; T416-E418 PolarHBondContact O-N 2.95Å
417V35.5Very low44.3Very low133 Ų133132.2 Ų132.281%0.80670%0.696SS**  trans-70.299.8177.7-176.40000109.4M415 E419M415-V417 PolarHBondContact O-N 2.87Å; M415-V417 VanDerWaalsContact O-N 3.16Å; V417-E419 PolarHBondContact O-N 2.79Å
418E31.9Very low47.4Very low160 Ų160128.9 Ų128.975%0.74867%0.667SS**  trans-72.4119.2158.9-68.6-161.6146.200108.2T416 T420T416-E418 PolarHBondContact O-N 2.95Å; E418-T420 PolarHBondContact O-N 2.68Å
419E40.5Very low50.5Low181 Ų181121.8 Ų121.885%0.84663%0.63SS**  trans-72.865.4177.2-68.2-172.8115.500111.9V417 S421V417-E419 PolarHBondContact O-N 2.79Å; E419-S421 PolarHBondContact O-N 3.29Å
420T29.7Very low53.1Low111 Ų111115.8 Ų115.868%0.68160%0.603SS**  trans-71.196.4166.854.50000109.2E418 D422E418-T420 PolarHBondContact O-N 2.68Å; T420-D422 PolarHBondContact O-N 3.18Å
421S38.7Very low56.2Low125 Ų125117.2 Ų117.287%0.87459%0.594SS**  trans-71.267.1171.7-69.50000111.8E419E419-S421 PolarHBondContact O-N 3.29Å
422D43Very low59.2Low145 Ų145114.4 Ų114.478%0.77558%0.579SS**  trans-136.5109.3163.7-123.6-24.4000108.1T420 G424T420-D422 PolarHBondContact O-N 3.18Å; D422-G424 VanDerWaalsContact C-N 3.35Å; D422-G424 PolarHBondContact O-N 3.35Å
423R52.7Low62.5Low247 Ų247109.6 Ų109.693%0.93255%0.551SS**  trans-74.897168.8-75-177.4176.6-179.4-2.8106.4
424G70.6Confident65.3Low36 Ų36106.5 Ų106.537%0.37154%0.543SS..  trans-55167176.100000112.3D422 C426D422-G424 VanDerWaalsContact C-N 3.35Å; D422-G424 PolarHBondContact O-N 3.35Å; G424-C426 PolarHBondContact O-N 3.07Å; G424-C426 PolarHBondContact O-SG 3.04Å
425I88.1Confident68.1Low84 Ų84100.1 Ų100.143%0.43152%0.52SS..  trans-47.2131.8-173.5-59.1173.8000110.7G451 I452 L479I425-G451 PolarHBondContact O-N 3.24Å; I425-I452 HydrophobicContact CB-CB 4.13Å; I425-I452 HydrophobicContact CG2-CB 4.16Å; I425-I452 VanDerWaalsContact O-CB 3.31Å; I425-I452 WeakPolarHBondContact O-CB 3.49Å; I425-I452 WeakPolarHBondContact O-CG1 3.13Å; I425-I452 PolarHBondContact O-N 2.86Å; I425-L479 HydrophobicContact CG2-CD2 3.48Å; I425-L479 VanDerWaalsContact CG2-CD2 3.48Å
426C92.4Very high70.8Confident33 Ų3396.7 Ų96.722%0.22352%0.516CS..  trans-118.1152.7178.4-65.40000110.7G424 I449 M480G424-C426 PolarHBondContact O-N 3.07Å; G424-C426 PolarHBondContact O-SG 3.04Å; C426-I449 VanDerWaalsContact CA-O 3.29Å; C426-I449 WeakPolarHBondContact CA-O 3.3Å; C426-M480 PolarHBondContact O-N 3.04Å; C426-M480 VanDerWaalsContact O-N 3.07Å
427A94.4Very high73.7Confident0 Ų095.2 Ų95.20%050%0.504CS..EExtended strand (participates in β ladder)trans-140.6153.5174.200000111.4V448 I449 I452 V477 E478 L479A427-V448 WeakPolarHBondContact O-CA 3.31Å; A427-I449 PolarHBondContact N-O 3.22Å; A427-I449 PolarHBondContact O-N 3.3Å; A427-I452 HydrophobicContact CB-CD1 3.36Å; A427-V477 HydrophobicContact CB-CB 3.8Å; A427-V477 HydrophobicContact CB-CG2 3.76Å; A427-E478 CarbonylContact C-O 3.56Å; A427-E478 WeakPolarHBondContact CA-O 3.5Å; A427-E478 WeakPolarHBondContact CB-O 3.22Å; A427-L479 HydrophobicContact CB-CD2 4.21Å
428R95.7Very high76.1Confident75 Ų7593.1 Ų93.128%0.28351%0.509SS..EExtended strand (participates in β ladder)trans-97.2134.6170.7-167.8170.255.799.97109.8D446 D447 V477 E478 M480R428-D446 WeakPolarHBondContact CD-OD1 3.29Å; R428-D446 IonicContact CZ-OD1 3.68Å; R428-D446 IonicContact NE-OD1 3.96Å; R428-D446 IonicContact NH1-OD1 2.65Å; R428-D446 PolarHBondContact NH1-OD1 2.96Å; R428-D447 CarbonylContact C-O 3.55Å; R428-D447 WeakPolarHBondContact CA-O 3.23Å; R428-V477 CarbonylContact O-C 3.3Å; R428-V477 WeakPolarHBondContact O-CA 3.4Å; R428-V477 WeakPolarHBondContact O-CB 3.4Å; R428-E478 IonicContact CZ-OE2 2.71Å; R428-E478 PolarHBondContact N-O 3.49Å; R428-E478 IonicContact NE-OE2 3.76Å; R428-E478 IonicContact NH2-OE2 2.72Å; R428-E478 PolarHBondContact NH2-OE2 3.1Å; R428-E478 PolarHBondContact O-N 2.95Å; R428-M480 HydrophobicContact CB-CE 3.65Å; R428-M480 HydrophobicContact CG-CE 4.05Å
429A95.9Very high78.9Confident1 Ų189.6 Ų89.61%0.00850%0.499CS..EExtended strand (participates in β ladder)trans-65.3131.3169.800000111.1F443 D444 D446 D447A429-F443 HydrophobicContact CB-CD2 3.47Å; A429-F443 VanDerWaalsContact CB-CD2 3.47Å; A429-F443 HydrophobicContact CB-CE2 3.87Å; A429-F443 HydrophobicContact CB-CG 4.41Å; A429-D444 WeakPolarHBondContact CB-O 3.44Å; A429-D446 PolarHBondContact O-N 3.12Å; A429-D447 HydrophobicContact CB-CB 4.32Å; A429-D447 PolarHBondContact N-O 2.98Å
430L94.6Very high81.5Confident66 Ų6682.8 Ų82.835%0.34647%0.467SS..SBendtrans-95.4-23.3173.6-65.1179000112.5Y476 E478L430-Y476 PolarHBondContact N-O 3.25Å; L430-E478 HydrophobicContact CD1-CB 4.13Å; L430-E478 HydrophobicContact CD2-CB 3.91Å; L430-E478 HydrophobicContact CG-CB 4.05Å
431Y93.2Very high84.6Confident134 Ų13477.6 Ų77.653%0.52544%0.435SS..SBendtrans-144.2158.9-176.1-55.2-68.4000109.5
432D95.4Very high87.2Confident98 Ų9873.6 Ų73.652%0.52441%0.407SS..  trans-64.6139.6169.354.3-60000111F443 P445 Y476D432-F443 WeakPolarHBondContact CA-O 3.19Å; D432-P445 HydrophobicContact CB-CG 4.49Å; D432-Y476 WeakPolarHBondContact O-CD1 3.39Å; D432-Y476 VanDerWaalsContact O-CE1 3.29Å; D432-Y476 WeakPolarHBondContact O-CE1 3.4Å
433Y94.8Very high89.8Confident33 Ų3367 Ų6713%0.12937%0.371CS..BIsolated β-bridgetrans-134.9137.8169.9-170.1-98000110.4E440 I441 S442 F443 P473 Y476Y433-E440 HydrophobicContact CE1-CB 4.48Å; Y433-E440 WeakPolarHBondContact CE1-OE2 3.31Å; Y433-E440 PolarHBondContact OH-OE2 2.83Å; Y433-I441 VanDerWaalsContact CD1-O 3.31Å; Y433-I441 WeakPolarHBondContact CD1-O 3.41Å; Y433-S442 VanDerWaalsContact O-CA 3.3Å; Y433-S442 WeakPolarHBondContact O-CA 3.47Å; Y433-F443 VanDerWaalsContact CB-CZ 3.41Å; Y433-F443 HydrophobicContact CD1-CE1 4.17Å; Y433-F443 HydrophobicContact CD1-CZ 4.42Å; Y433-F443 HydrophobicContact CG-CE1 4.28Å; Y433-F443 HydrophobicContact CG-CZ 4.09Å; Y433-F443 PolarHBondContact N-O 3.41Å; Y433-F443 PolarHBondContact O-N 3.13Å; Y433-P473 HydrophobicContact CD2-CG 3.84Å; Y433-P473 HydrophobicContact CE2-CG 3.43Å; Y433-P473 VanDerWaalsContact CE2-CG 3.43Å; Y433-Y476 HydrophobicContact CD2-CD1 4.04Å; Y433-Y476 HydrophobicContact CD2-CE1 4.02Å; Y433-Y476 HydrophobicContact CD2-CG 4.48Å
434Q94.6Very high91.8Very high124 Ų12459.8 Ų59.858%0.57935%0.351SS*.  trans-122.6117.8-179.7-63.3-63.4-46.100108.6A436Q434-A436 PolarHBondContact O-N 3.04Å
435A91.8Very high93Very high37 Ų3761.2 Ų61.231%0.30635%0.354SS..  trans-53.7127.8-178.200000112.4E440 S442A435-E440 HydrophobicContact CB-CB 3.69Å; A435-S442 PolarHBondContact N-OG 3.45Å
436A85.3Confident93.2Very high85 Ų8562.2 Ų62.270%0.70236%0.36SS*.SBendtrans-75.5-31177.600000112.6Q434 E440Q434-A436 PolarHBondContact O-N 3.04Å; A436-E440 PolarHBondContact N-OE2 3.27Å
437D88.7Confident93.3Very high92 Ų9263 Ų6349%0.49236%0.362SS..SBendtrans-148.4176.5169.473.536.4000111.8T439 E440D437-T439 PolarHBondContact O-N 2.94Å; D437-T439 WeakPolarHBondContact OD1-CA 3.47Å; D437-T439 VanDerWaalsContact OD1-CB 3.31Å; D437-T439 WeakPolarHBondContact OD1-CB 3.2Å; D437-T439 PolarHBondContact OD1-N 3.35Å; D437-T439 PolarHBondContact OD1-OG1 3.33Å; D437-E440 PolarHBondContact O-N 3.49Å; D437-E440 VanDerWaalsContact O-N 3.1Å
438G86.4Confident93.3Very high88 Ų8866 Ų6691%0.90738%0.38SS*.THydrogen-bonded Turntrans-70.715.5-178.200000116.2
439T90.9Very high93.3Very high87 Ų8762.4 Ų62.453%0.53437%0.367SS..THydrogen-bonded Turntrans-104.8-7.1167.570.80000112.9D437 G470 M471D437-T439 PolarHBondContact O-N 2.94Å; D437-T439 WeakPolarHBondContact OD1-CA 3.47Å; D437-T439 VanDerWaalsContact OD1-CB 3.31Å; D437-T439 WeakPolarHBondContact OD1-CB 3.2Å; D437-T439 PolarHBondContact OD1-N 3.35Å; D437-T439 PolarHBondContact OD1-OG1 3.33Å; T439-G470 CarbonylContact O-C 3.58Å; T439-G470 VanDerWaalsContact O-CA 3.31Å; T439-G470 WeakPolarHBondContact O-CA 3.26Å; T439-M471 PolarHBondContact O-N 2.8Å
440E94.6Very high93.3Very high37 Ų3765.2 Ų65.217%0.17338%0.384CS..BIsolated β-bridgetrans-103.4161.6174.4-67.4176.7-170.800111.5Y433 A435 A436 D437 W459 M471Y433-E440 HydrophobicContact CE1-CB 4.48Å; Y433-E440 WeakPolarHBondContact CE1-OE2 3.31Å; Y433-E440 PolarHBondContact OH-OE2 2.83Å; A435-E440 HydrophobicContact CB-CB 3.69Å; A436-E440 PolarHBondContact N-OE2 3.27Å; D437-E440 PolarHBondContact O-N 3.49Å; D437-E440 VanDerWaalsContact O-N 3.1Å; E440-W459 HydrophobicContact CG-CZ3 4.29Å; E440-W459 WeakPolarHBondContact OE1-CH2 3.35Å; E440-M471 VanDerWaalsContact CA-O 3.22Å; E440-M471 WeakPolarHBondContact CA-O 3.36Å; E440-M471 WeakPolarHBondContact CB-O 3.5Å; E440-M471 HydrophobicContact CG-CB 4.09Å
441I94.6Very high93.1Very high3 Ų363.3 Ų63.32%0.01538%0.381CS..  trans-106.5147.4170.654168.6000111.2Y433 F443 I449 H468 M471 F472Y433-I441 VanDerWaalsContact CD1-O 3.31Å; Y433-I441 WeakPolarHBondContact CD1-O 3.41Å; I441-F443 HydrophobicContact CD1-CD1 4.19Å; I441-F443 HydrophobicContact CD1-CE1 4.41Å; I441-F443 HydrophobicContact CG1-CD1 4.18Å; I441-F443 HydrophobicContact CG1-CE1 4.28Å; I441-I449 HydrophobicContact CD1-CD1 4.07Å; I441-I449 HydrophobicContact CD1-CG1 4.35Å; I441-I449 HydrophobicContact CD1-CG2 4.08Å; I441-H468 HydrophobicContact CG2-CB 4.28Å; I441-H468 WeakPolarHBondContact CG2-O 3.41Å; I441-M471 PolarHBondContact N-O 3.2Å; I441-M471 VanDerWaalsContact N-O 3.07Å; I441-F472 HydrophobicContact CD1-CB 4.48Å; I441-F472 HydrophobicContact CD1-CD1 3.69Å; I441-F472 HydrophobicContact CD1-CE1 4.31Å; I441-F472 HydrophobicContact CD1-CG 4.33Å; I441-F472 HydrophobicContact CG1-CB 4.06Å; I441-F472 HydrophobicContact CG1-CD1 4.02Å; I441-F472 HydrophobicContact CG1-CG 4.42Å
442S94.4Very high93.1Very high41 Ų4157.3 Ų57.329%0.28736%0.357SS..  trans-98.4149.8168.1-630000110.7Y433 A435Y433-S442 VanDerWaalsContact O-CA 3.3Å; Y433-S442 WeakPolarHBondContact O-CA 3.47Å; A435-S442 PolarHBondContact N-OG 3.45Å
443F95.9Very high93Very high5 Ų557.1 Ų57.12%0.02235%0.353CS..BIsolated β-bridgetrans-159.6153.5175.648.8-95000111.4A429 D432 Y433 I441 D447 I449 P465 F472 V477A429-F443 HydrophobicContact CB-CD2 3.47Å; A429-F443 VanDerWaalsContact CB-CD2 3.47Å; A429-F443 HydrophobicContact CB-CE2 3.87Å; A429-F443 HydrophobicContact CB-CG 4.41Å; D432-F443 WeakPolarHBondContact CA-O 3.19Å; Y433-F443 VanDerWaalsContact CB-CZ 3.41Å; Y433-F443 HydrophobicContact CD1-CE1 4.17Å; Y433-F443 HydrophobicContact CD1-CZ 4.42Å; Y433-F443 HydrophobicContact CG-CE1 4.28Å; Y433-F443 HydrophobicContact CG-CZ 4.09Å; Y433-F443 PolarHBondContact N-O 3.41Å; Y433-F443 PolarHBondContact O-N 3.13Å; I441-F443 HydrophobicContact CD1-CD1 4.19Å; I441-F443 HydrophobicContact CD1-CE1 4.41Å; I441-F443 HydrophobicContact CG1-CD1 4.18Å; I441-F443 HydrophobicContact CG1-CE1 4.28Å; F443-D447 HydrophobicContact CB-CB 4.15Å; F443-I449 HydrophobicContact CD1-CD1 3.66Å; F443-I449 HydrophobicContact CD1-CG1 4.46Å; F443-I449 HydrophobicContact CD2-CD1 4.48Å; F443-I449 HydrophobicContact CE1-CD1 3.62Å; F443-I449 HydrophobicContact CE2-CD1 4.43Å; F443-I449 HydrophobicContact CG-CD1 4.1Å; F443-I449 HydrophobicContact CZ-CD1 4.01Å; F443-P465 HydrophobicContact CB-CG 4.36Å; F443-F472 HydrophobicContact CE1-CB 3.68Å; F443-F472 HydrophobicContact CE1-CD2 4.46Å; F443-F472 HydrophobicContact CE1-CG 4.16Å; F443-F472 HydrophobicContact CZ-CB 4.19Å; F443-F472 HydrophobicContact CZ-CD2 4.49Å; F443-V477 HydrophobicContact CE2-CG1 4.36Å; F443-V477 HydrophobicContact CZ-CG1 4.2Å
444D95.1Very high92.8Very high96 Ų9660.7 Ų60.751%0.51337%0.372SS..  trans-96.4165.7173.8-77.2-36000110.6A429 D447A429-D444 WeakPolarHBondContact CB-O 3.44Å; D444-D447 PolarHBondContact N-OD2 3.41Å; D444-D447 WeakPolarHBondContact O-CB 3.48Å; D444-D447 PolarHBondContact O-N 2.71Å
445P95.5Very high92.4Very high67 Ų6758.8 Ų58.844%0.43537%0.366SS..THydrogen-bonded Turntrans-58.4147.7175.2-21.432.4000112.4D432 D447D432-P445 HydrophobicContact CB-CG 4.49Å; P445-D447 PolarHBondContact O-N 2.72Å
446D93.3Very high92.2Very high105 Ų10561.3 Ų61.356%0.56137%0.374SS*.THydrogen-bonded Turntrans68-3.7-173.5-71-54.4000116.8R428 A429R428-D446 WeakPolarHBondContact CD-OD1 3.29Å; R428-D446 IonicContact CZ-OD1 3.68Å; R428-D446 IonicContact NE-OD1 3.96Å; R428-D446 IonicContact NH1-OD1 2.65Å; R428-D446 PolarHBondContact NH1-OD1 2.96Å; A429-D446 PolarHBondContact O-N 3.12Å
447D94.9Very high92.3Very high48 Ų4866.7 Ų66.726%0.25739%0.385SS..  trans-60.9152170.9-84-36000112.7R428 A429 F443 D444 P445 P465R428-D447 CarbonylContact C-O 3.55Å; R428-D447 WeakPolarHBondContact CA-O 3.23Å; A429-D447 HydrophobicContact CB-CB 4.32Å; A429-D447 PolarHBondContact N-O 2.98Å; F443-D447 HydrophobicContact CB-CB 4.15Å; D444-D447 PolarHBondContact N-OD2 3.41Å; D444-D447 WeakPolarHBondContact O-CB 3.48Å; D444-D447 PolarHBondContact O-N 2.71Å; P445-D447 PolarHBondContact O-N 2.72Å; D447-P465 HydrophobicContact CB-CB 4.34Å; D447-P465 HydrophobicContact CB-CG 4.18Å
448V94.6Very high92.3Very high63 Ų6363.7 Ų63.738%0.38238%0.375SS..EExtended strand (participates in β ladder)trans-110.3109.8-177.8-172.80000110.9A427 T450 M480A427-V448 WeakPolarHBondContact O-CA 3.31Å; V448-T450 HydrophobicContact CG1-CG2 4.12Å; V448-M480 HydrophobicContact CG1-CE 4.16Å; V448-M480 HydrophobicContact CG1-SD 4.31Å; V448-M480 HydrophobicContact CG2-CE 3.68Å
449I94.9Very high92.7Very high0 Ų064 Ų640%035%0.349CS..EExtended strand (participates in β ladder)trans-88.1135.6174.2-55.4174.1000108.3C426 A427 I441 F443 I452 F463 F472 V477C426-I449 VanDerWaalsContact CA-O 3.29Å; C426-I449 WeakPolarHBondContact CA-O 3.3Å; A427-I449 PolarHBondContact N-O 3.22Å; A427-I449 PolarHBondContact O-N 3.3Å; I441-I449 HydrophobicContact CD1-CD1 4.07Å; I441-I449 HydrophobicContact CD1-CG1 4.35Å; I441-I449 HydrophobicContact CD1-CG2 4.08Å; F443-I449 HydrophobicContact CD1-CD1 3.66Å; F443-I449 HydrophobicContact CD1-CG1 4.46Å; F443-I449 HydrophobicContact CD2-CD1 4.48Å; F443-I449 HydrophobicContact CE1-CD1 3.62Å; F443-I449 HydrophobicContact CE2-CD1 4.43Å; F443-I449 HydrophobicContact CG-CD1 4.1Å; F443-I449 HydrophobicContact CZ-CD1 4.01Å; I449-I452 HydrophobicContact CB-CD1 4.2Å; I449-I452 HydrophobicContact CG2-CD1 4.01Å; I449-I452 HydrophobicContact CG2-CG1 3.87Å; I449-F463 WeakPolarHBondContact CA-O 3.44Å; I449-F463 WeakPolarHBondContact CG2-O 3.18Å; I449-F472 HydrophobicContact CD1-CD1 4.35Å; I449-F472 HydrophobicContact CD1-CD2 4.17Å; I449-F472 HydrophobicContact CD1-CE1 4.31Å; I449-F472 HydrophobicContact CD1-CE2 4.15Å; I449-F472 HydrophobicContact CD1-CG 4.28Å; I449-F472 HydrophobicContact CD1-CZ 4.22Å; I449-F472 HydrophobicContact CG2-CD1 4.42Å; I449-F472 HydrophobicContact CG2-CE1 3.69Å; I449-F472 HydrophobicContact CG2-CZ 3.92Å; I449-V477 HydrophobicContact CD1-CG1 3.88Å
450T95.1Very high92.9Very high60 Ų6061 Ų6137%0.36833%0.328SS..EExtended strand (participates in β ladder)trans-127.7158.3-172.367.70000112.6V448 I452 F463V448-T450 HydrophobicContact CG1-CG2 4.12Å; T450-I452 PolarHBondContact O-N 3.01Å; T450-F463 PolarHBondContact N-O 2.94Å; T450-F463 PolarHBondContact O-N 2.86Å
451G91.4Very high92.9Very high27 Ų2763.6 Ų63.628%0.27834%0.336SS..EExtended strand (participates in β ladder)trans64.939.9178.600000113.1I425I425-G451 PolarHBondContact O-N 3.24Å
452I93.8Very high92.9Very high8 Ų863.5 Ų63.54%0.04134%0.336CS..EExtended strand (participates in β ladder)trans-74.6128.7-171.1-62.8171.3000111.5I425 A427 I449 T450 W460 R461 F472I425-I452 HydrophobicContact CB-CB 4.13Å; I425-I452 HydrophobicContact CG2-CB 4.16Å; I425-I452 VanDerWaalsContact O-CB 3.31Å; I425-I452 WeakPolarHBondContact O-CB 3.49Å; I425-I452 WeakPolarHBondContact O-CG1 3.13Å; I425-I452 PolarHBondContact O-N 2.86Å; A427-I452 HydrophobicContact CB-CD1 3.36Å; I449-I452 HydrophobicContact CB-CD1 4.2Å; I449-I452 HydrophobicContact CG2-CD1 4.01Å; I449-I452 HydrophobicContact CG2-CG1 3.87Å; T450-I452 PolarHBondContact O-N 3.01Å; I452-W460 HydrophobicContact CG2-CB 3.97Å; I452-W460 HydrophobicContact CG2-CD2 4.22Å; I452-W460 HydrophobicContact CG2-CE3 3.81Å; I452-W460 HydrophobicContact CG2-CG 4.31Å; I452-R461 CarbonylContact C-O 3.47Å; I452-R461 VanDerWaalsContact CA-O 3.26Å; I452-R461 WeakPolarHBondContact CA-O 3.37Å; I452-F472 HydrophobicContact CD1-CZ 4.01Å; I452-F472 HydrophobicContact CG1-CE1 4.49Å; I452-F472 HydrophobicContact CG1-CZ 4.05Å; I452-F472 HydrophobicContact CG2-CZ 4.07Å
453E92.7Very high92.9Very high94 Ų9465.9 Ų65.944%0.43934%0.341SS..EExtended strand (participates in β ladder)trans-109.7120.7168-63.4-177.4-169.300110.3I455 W460 R461E453-I455 PolarHBondContact O-N 3.24Å; E453-W460 WeakPolarHBondContact O-CA 3.32Å; E453-R461 HydrophobicContact CB-CG 3.87Å; E453-R461 PolarHBondContact N-O 2.9Å; E453-R461 PolarHBondContact O-N 3.31Å; E453-R461 IonicContact OE2-CZ 3.22Å; E453-R461 IonicContact OE2-NE 3.95Å; E453-R461 PolarHBondContact OE2-NE 2.93Å; E453-R461 IonicContact OE2-NH2 2.73Å; E453-R461 PolarHBondContact OE2-NH2 3.27Å
454M91.1Very high92.7Very high107 Ų10766 Ų6653%0.52734%0.343SS..EExtended strand (participates in β ladder)trans-82.6104179.5-55.1171.485.300109.6W460M454-W460 HydrophobicContact CB-CG 4.38Å; M454-W460 HydrophobicContact CE-CH2 4.16Å; M454-W460 HydrophobicContact CE-CZ2 3.44Å; M454-W460 VanDerWaalsContact CE-CZ2 3.44Å; M454-W460 HydrophobicContact CG-CD2 4.14Å; M454-W460 HydrophobicContact CG-CG 4.25Å
455I86.3Confident92.3Very high85 Ų8564.6 Ų64.644%0.43634%0.34SS..  trans-83.2-47-178.6-67.6162.6000110.8E453 R461 M471E453-I455 PolarHBondContact O-N 3.24Å; I455-R461 HydrophobicContact CD1-CB 4.16Å; I455-R461 HydrophobicContact CD1-CG 3.76Å; I455-R461 HydrophobicContact CG1-CG 4.45Å; I455-M471 HydrophobicContact CD1-CE 3.7Å; I455-M471 HydrophobicContact CD1-SD 3.59Å; I455-M471 VanDerWaalsContact CD1-SD 3.59Å
456D87.6Confident91.8Very high90 Ų9065.7 Ų65.748%0.48134%0.342SS..SBendtrans-145.2-168.91716746.5000112.7G458 W459 W460D456-G458 VanDerWaalsContact C-N 3.28Å; D456-G458 PolarHBondContact O-N 3.04Å; D456-G458 WeakPolarHBondContact OD1-CA 3.36Å; D456-G458 PolarHBondContact OD1-N 3.47Å; D456-W459 PolarHBondContact N-O 2.99Å; D456-W459 PolarHBondContact OD1-N 2.83Å; D456-W460 PolarHBondContact O-NE1 3.16Å
457E85.9Confident91.5Very high198 Ų19863.1 Ų63.193%0.92534%0.34SS*.SBendtrans-75-13.1-177.6-62-176.5163.400113.7
458G90.1Very high91.2Very high29 Ų2966.9 Ų66.930%0.29936%0.356SS..SBendtrans-117.6-26.2-177.800000114.7D456 P473 A474D456-G458 VanDerWaalsContact C-N 3.28Å; D456-G458 PolarHBondContact O-N 3.04Å; D456-G458 WeakPolarHBondContact OD1-CA 3.36Å; D456-G458 PolarHBondContact OD1-N 3.47Å; G458-P473 CarbonylContact O-C 3.58Å; G458-P473 WeakPolarHBondContact O-CA 3.34Å; G458-A474 WeakPolarHBondContact O-CB 3.43Å; G458-A474 PolarHBondContact O-N 2.82Å
459W93.6Very high91.1Very high93 Ų9368.5 Ų68.535%0.35236%0.358SS..EExtended strand (participates in β ladder)trans-133.6128.4-176-70.989.2000112.8E440 D456 M471 F472 P473E440-W459 HydrophobicContact CG-CZ3 4.29Å; E440-W459 WeakPolarHBondContact OE1-CH2 3.35Å; D456-W459 PolarHBondContact N-O 2.99Å; D456-W459 PolarHBondContact OD1-N 2.83Å; W459-M471 HydrophobicContact CB-CE 3.77Å; W459-M471 HydrophobicContact CE3-CB 4.2Å; W459-M471 HydrophobicContact CE3-CE 4.47Å; W459-M471 HydrophobicContact CZ3-CB 4.43Å; W459-F472 VanDerWaalsContact CE3-C 3.44Å; W459-P473 HydrophobicContact CE3-CG 4.48Å; W459-P473 HydrophobicContact CH2-CG 4.08Å; W459-P473 HydrophobicContact CZ2-CG 4.48Å; W459-P473 HydrophobicContact CZ3-CG 4.07Å
460W95.8Very high91.1Very high24 Ų2468.8 Ų68.89%0.09136%0.361CS..EExtended strand (participates in β ladder)trans-117.8171173.7-56.9-16000109.7I452 E453 M454 D456 M471 F472 A474 V477 L479I452-W460 HydrophobicContact CG2-CB 3.97Å; I452-W460 HydrophobicContact CG2-CD2 4.22Å; I452-W460 HydrophobicContact CG2-CE3 3.81Å; I452-W460 HydrophobicContact CG2-CG 4.31Å; E453-W460 WeakPolarHBondContact O-CA 3.32Å; M454-W460 HydrophobicContact CB-CG 4.38Å; M454-W460 HydrophobicContact CE-CH2 4.16Å; M454-W460 HydrophobicContact CE-CZ2 3.44Å; M454-W460 VanDerWaalsContact CE-CZ2 3.44Å; M454-W460 HydrophobicContact CG-CD2 4.14Å; M454-W460 HydrophobicContact CG-CG 4.25Å; D456-W460 PolarHBondContact O-NE1 3.16Å; W460-M471 CarbonylContact O-C 3.47Å; W460-M471 WeakPolarHBondContact O-CA 3.1Å; W460-F472 HydrophobicContact CB-CE1 4.21Å; W460-F472 HydrophobicContact CB-CE2 3.99Å; W460-F472 HydrophobicContact CB-CZ 3.74Å; W460-F472 AromaticContact CE3-CE2 3.92Å; W460-F472 HydrophobicContact CE3-CE2 3.92Å; W460-F472 HydrophobicContact CE3-CZ 4.13Å; W460-F472 PolarHBondContact N-O 3.48Å; W460-F472 PolarHBondContact O-N 3.11Å; W460-A474 HydrophobicContact CD2-CB 3.79Å; W460-A474 HydrophobicContact CE3-CB 4.44Å; W460-A474 HydrophobicContact CG-CB 4.1Å; W460-A474 HydrophobicContact CH2-CB 4.36Å; W460-A474 HydrophobicContact CZ2-CB 3.69Å; W460-V477 HydrophobicContact CE3-CG2 3.89Å; W460-V477 HydrophobicContact CH2-CG2 4.35Å; W460-V477 HydrophobicContact CZ3-CG2 3.47Å; W460-V477 VanDerWaalsContact CZ3-CG2 3.47Å; W460-L479 HydrophobicContact CH2-CD1 4.19Å; W460-L479 HydrophobicContact CH2-CD2 4.03Å; W460-L479 HydrophobicContact CH2-CG 4.01Å; W460-L479 HydrophobicContact CZ3-CD2 3.66Å; W460-L479 HydrophobicContact CZ3-CG 4.09Å
461R94.3Very high91.1Very high93 Ų9368.2 Ų68.235%0.35136%0.355SS..EExtended strand (participates in β ladder)trans-129.2154.7168.463.8178.4171.6-151.40.8111.3I452 E453 I455 F469 G470 M471I452-R461 CarbonylContact C-O 3.47Å; I452-R461 VanDerWaalsContact CA-O 3.26Å; I452-R461 WeakPolarHBondContact CA-O 3.37Å; E453-R461 HydrophobicContact CB-CG 3.87Å; E453-R461 PolarHBondContact N-O 2.9Å; E453-R461 PolarHBondContact O-N 3.31Å; E453-R461 IonicContact OE2-CZ 3.22Å; E453-R461 IonicContact OE2-NE 3.95Å; E453-R461 PolarHBondContact OE2-NE 2.93Å; E453-R461 IonicContact OE2-NH2 2.73Å; E453-R461 PolarHBondContact OE2-NH2 3.27Å; I455-R461 HydrophobicContact CD1-CB 4.16Å; I455-R461 HydrophobicContact CD1-CG 3.76Å; I455-R461 HydrophobicContact CG1-CG 4.45Å; R461-F469 HydrophobicContact CB-CZ 4.36Å; R461-F469 HydrophobicContact CG-CE1 4.39Å; R461-F469 HydrophobicContact CG-CZ 3.86Å; R461-G470 WeakPolarHBondContact CA-O 3.44Å; R461-G470 WeakPolarHBondContact CB-O 3.44Å; R461-M471 HydrophobicContact CB-SD 3.87Å
462G94.7Very high91.3Very high0 Ų066.9 Ų66.90%034%0.342CS..EExtended strand (participates in β ladder)trans-178.2-178.2-179.500000111.9F469 G470G462-F469 VanDerWaalsContact C-CD2 3.47Å; G462-F469 WeakPolarHBondContact O-CA 3.38Å; G462-F469 WeakPolarHBondContact O-CD2 3.29Å; G462-G470 PolarHBondContact N-O 2.88Å; G462-G470 VanDerWaalsContact N-O 3.08Å; G462-G470 PolarHBondContact O-N 3.14Å; G462-G470 VanDerWaalsContact O-N 3.12Å
463F94.6Very high91.4Very high91 Ų9167 Ų6740%0.39934%0.343SS..EExtended strand (participates in β ladder)trans-88.5122.1174.6-65.3-88.4000110.4I449 T450 H468 F469I449-F463 WeakPolarHBondContact CA-O 3.44Å; I449-F463 WeakPolarHBondContact CG2-O 3.18Å; T450-F463 PolarHBondContact N-O 2.94Å; T450-F463 PolarHBondContact O-N 2.86Å; F463-H468 CarbonylContact C-O 3.53Å; F463-H468 WeakPolarHBondContact CA-O 3.29Å; F463-F469 HydrophobicContact CD1-CB 3.9Å; F463-F469 HydrophobicContact CD1-CD2 4.01Å; F463-F469 HydrophobicContact CD1-CG 4.43Å; F463-F469 AromaticContact CD2-CD2 3.68Å; F463-F469 HydrophobicContact CD2-CD2 3.68Å; F463-F469 HydrophobicContact CD2-CE2 4.16Å; F463-F469 HydrophobicContact CE1-CB 3.75Å; F463-F469 AromaticContact CE1-CD2 3.87Å; F463-F469 HydrophobicContact CE1-CD2 3.87Å; F463-F469 HydrophobicContact CE1-CG 4.15Å; F463-F469 AromaticContact CE2-CD2 3.53Å; F463-F469 HydrophobicContact CE2-CD2 3.53Å; F463-F469 AromaticContact CE2-CE2 3.86Å; F463-F469 HydrophobicContact CE2-CE2 3.86Å; F463-F469 HydrophobicContact CE2-CG 4.5Å; F463-F469 AromaticContact CG-CD2 3.92Å; F463-F469 HydrophobicContact CG-CD2 3.92Å; F463-F469 HydrophobicContact CZ-CB 4.27Å; F463-F469 AromaticContact CZ-CD2 3.62Å; F463-F469 HydrophobicContact CZ-CD2 3.62Å; F463-F469 HydrophobicContact CZ-CE2 4.25Å; F463-F469 HydrophobicContact CZ-CG 4.18Å
464G90.8Very high91.5Very high7 Ų763 Ų637%0.07233%0.326CS..  trans-71.2173.917300000113.3D466 G467 H468G464-D466 PolarHBondContact O-N 3.08Å; G464-G467 PolarHBondContact O-N 3.13Å; G464-H468 PolarHBondContact N-O 3.04Å
465P87.1Confident91.7Very high67 Ų6763.2 Ų63.244%0.43533%0.329SS..THydrogen-bonded Turntrans-64.9-21179.130-37.8000113F443 D447F443-P465 HydrophobicContact CB-CG 4.36Å; D447-P465 HydrophobicContact CB-CB 4.34Å; D447-P465 HydrophobicContact CB-CG 4.18Å
466D85.1Confident92Very high91 Ų9162.9 Ų62.949%0.48732%0.323SS..THydrogen-bonded Turntrans-84.8-6.9174.765.8-10.9000113.7G464 H468G464-D466 PolarHBondContact O-N 3.08Å; D466-H468 VanDerWaalsContact CG-ND1 3.31Å; D466-H468 PolarHBondContact OD1-N 3.04Å; D466-H468 IonicContact OD1-ND1 2.62Å; D466-H468 IonicContact OD2-CE1 2.88Å; D466-H468 IonicContact OD2-CG 3.14Å; D466-H468 IonicContact OD2-ND1 2.75Å; D466-H468 PolarHBondContact OD2-ND1 3.18Å
467G86.5Confident92.3Very high51 Ų5159.1 Ų59.153%0.52630%0.303SS..SBendtrans83.81-176.900000115.3G464G464-G467 PolarHBondContact O-N 3.13Å
468H89.7Confident92.7Very high126 Ų12654.4 Ų54.458%0.58328%0.281SS*.  trans-74.1146.1172.6-70109.3000110.9I441 F463 G464 D466I441-H468 HydrophobicContact CG2-CB 4.28Å; I441-H468 WeakPolarHBondContact CG2-O 3.41Å; F463-H468 CarbonylContact C-O 3.53Å; F463-H468 WeakPolarHBondContact CA-O 3.29Å; G464-H468 PolarHBondContact N-O 3.04Å; D466-H468 VanDerWaalsContact CG-ND1 3.31Å; D466-H468 PolarHBondContact OD1-N 3.04Å; D466-H468 IonicContact OD1-ND1 2.62Å; D466-H468 IonicContact OD2-CE1 2.88Å; D466-H468 IonicContact OD2-CG 3.14Å; D466-H468 IonicContact OD2-ND1 2.75Å; D466-H468 PolarHBondContact OD2-ND1 3.18Å
469F93.1Very high92.7Very high97 Ų9757 Ų5743%0.42529%0.288SS..EExtended strand (participates in β ladder)trans-107.7121178.6-175.6-100.8000110.5R461 G462 F463R461-F469 HydrophobicContact CB-CZ 4.36Å; R461-F469 HydrophobicContact CG-CE1 4.39Å; R461-F469 HydrophobicContact CG-CZ 3.86Å; G462-F469 VanDerWaalsContact C-CD2 3.47Å; G462-F469 WeakPolarHBondContact O-CA 3.38Å; G462-F469 WeakPolarHBondContact O-CD2 3.29Å; F463-F469 HydrophobicContact CD1-CB 3.9Å; F463-F469 HydrophobicContact CD1-CD2 4.01Å; F463-F469 HydrophobicContact CD1-CG 4.43Å; F463-F469 AromaticContact CD2-CD2 3.68Å; F463-F469 HydrophobicContact CD2-CD2 3.68Å; F463-F469 HydrophobicContact CD2-CE2 4.16Å; F463-F469 HydrophobicContact CE1-CB 3.75Å; F463-F469 AromaticContact CE1-CD2 3.87Å; F463-F469 HydrophobicContact CE1-CD2 3.87Å; F463-F469 HydrophobicContact CE1-CG 4.15Å; F463-F469 AromaticContact CE2-CD2 3.53Å; F463-F469 HydrophobicContact CE2-CD2 3.53Å; F463-F469 AromaticContact CE2-CE2 3.86Å; F463-F469 HydrophobicContact CE2-CE2 3.86Å; F463-F469 HydrophobicContact CE2-CG 4.5Å; F463-F469 AromaticContact CG-CD2 3.92Å; F463-F469 HydrophobicContact CG-CD2 3.92Å; F463-F469 HydrophobicContact CZ-CB 4.27Å; F463-F469 AromaticContact CZ-CD2 3.62Å; F463-F469 HydrophobicContact CZ-CD2 3.62Å; F463-F469 HydrophobicContact CZ-CE2 4.25Å; F463-F469 HydrophobicContact CZ-CG 4.18Å
470G93.9Very high92.3Very high7 Ų760.5 Ų60.57%0.07231%0.31CS..EExtended strand (participates in β ladder)trans-168.2-179-175.300000113.9T439 R461 G462T439-G470 CarbonylContact O-C 3.58Å; T439-G470 VanDerWaalsContact O-CA 3.31Å; T439-G470 WeakPolarHBondContact O-CA 3.26Å; R461-G470 WeakPolarHBondContact CA-O 3.44Å; R461-G470 WeakPolarHBondContact CB-O 3.44Å; G462-G470 PolarHBondContact N-O 2.88Å; G462-G470 VanDerWaalsContact N-O 3.08Å; G462-G470 PolarHBondContact O-N 3.14Å; G462-G470 VanDerWaalsContact O-N 3.12Å
471M95.7Very high92.1Very high47 Ų4762.4 Ų62.423%0.23232%0.321CS..EExtended strand (participates in β ladder)trans-78.5149.9-178.6-61.3-63.3-53.500112.1T439 E440 I441 I455 W459 W460 R461T439-M471 PolarHBondContact O-N 2.8Å; E440-M471 VanDerWaalsContact CA-O 3.22Å; E440-M471 WeakPolarHBondContact CA-O 3.36Å; E440-M471 WeakPolarHBondContact CB-O 3.5Å; E440-M471 HydrophobicContact CG-CB 4.09Å; I441-M471 PolarHBondContact N-O 3.2Å; I441-M471 VanDerWaalsContact N-O 3.07Å; I455-M471 HydrophobicContact CD1-CE 3.7Å; I455-M471 HydrophobicContact CD1-SD 3.59Å; I455-M471 VanDerWaalsContact CD1-SD 3.59Å; W459-M471 HydrophobicContact CB-CE 3.77Å; W459-M471 HydrophobicContact CE3-CB 4.2Å; W459-M471 HydrophobicContact CE3-CE 4.47Å; W459-M471 HydrophobicContact CZ3-CB 4.43Å; W460-M471 CarbonylContact O-C 3.47Å; W460-M471 WeakPolarHBondContact O-CA 3.1Å; R461-M471 HydrophobicContact CB-SD 3.87Å
472F95.3Very high92Very high0 Ų060.7 Ų60.70%032%0.32CS..EExtended strand (participates in β ladder)trans-155.9159.7169.862.3-88000112.5I441 F443 I449 I452 W459 W460 V477I441-F472 HydrophobicContact CD1-CB 4.48Å; I441-F472 HydrophobicContact CD1-CD1 3.69Å; I441-F472 HydrophobicContact CD1-CE1 4.31Å; I441-F472 HydrophobicContact CD1-CG 4.33Å; I441-F472 HydrophobicContact CG1-CB 4.06Å; I441-F472 HydrophobicContact CG1-CD1 4.02Å; I441-F472 HydrophobicContact CG1-CG 4.42Å; F443-F472 HydrophobicContact CE1-CB 3.68Å; F443-F472 HydrophobicContact CE1-CD2 4.46Å; F443-F472 HydrophobicContact CE1-CG 4.16Å; F443-F472 HydrophobicContact CZ-CB 4.19Å; F443-F472 HydrophobicContact CZ-CD2 4.49Å; I449-F472 HydrophobicContact CD1-CD1 4.35Å; I449-F472 HydrophobicContact CD1-CD2 4.17Å; I449-F472 HydrophobicContact CD1-CE1 4.31Å; I449-F472 HydrophobicContact CD1-CE2 4.15Å; I449-F472 HydrophobicContact CD1-CG 4.28Å; I449-F472 HydrophobicContact CD1-CZ 4.22Å; I449-F472 HydrophobicContact CG2-CD1 4.42Å; I449-F472 HydrophobicContact CG2-CE1 3.69Å; I449-F472 HydrophobicContact CG2-CZ 3.92Å; I452-F472 HydrophobicContact CD1-CZ 4.01Å; I452-F472 HydrophobicContact CG1-CE1 4.49Å; I452-F472 HydrophobicContact CG1-CZ 4.05Å; I452-F472 HydrophobicContact CG2-CZ 4.07Å; W459-F472 VanDerWaalsContact CE3-C 3.44Å; W460-F472 HydrophobicContact CB-CE1 4.21Å; W460-F472 HydrophobicContact CB-CE2 3.99Å; W460-F472 HydrophobicContact CB-CZ 3.74Å; W460-F472 AromaticContact CE3-CE2 3.92Å; W460-F472 HydrophobicContact CE3-CE2 3.92Å; W460-F472 HydrophobicContact CE3-CZ 4.13Å; W460-F472 PolarHBondContact N-O 3.48Å; W460-F472 PolarHBondContact O-N 3.11Å; F472-V477 HydrophobicContact CD2-CG1 4Å; F472-V477 HydrophobicContact CE2-CG1 3.85Å; F472-V477 HydrophobicContact CE2-CG2 3.85Å
473P95.1Very high91.8Very high10 Ų1064.1 Ų64.17%0.06534%0.337CS..EExtended strand (participates in β ladder)trans-73.3128.1179.3-16.631.3000113Y433 G458 W459 N475 Y476Y433-P473 HydrophobicContact CD2-CG 3.84Å; Y433-P473 HydrophobicContact CE2-CG 3.43Å; Y433-P473 VanDerWaalsContact CE2-CG 3.43Å; G458-P473 CarbonylContact O-C 3.58Å; G458-P473 WeakPolarHBondContact O-CA 3.34Å; W459-P473 HydrophobicContact CE3-CG 4.48Å; W459-P473 HydrophobicContact CH2-CG 4.08Å; W459-P473 HydrophobicContact CZ2-CG 4.48Å; W459-P473 HydrophobicContact CZ3-CG 4.07Å; P473-N475 PolarHBondContact O-N 2.68Å; P473-N475 VanDerWaalsContact O-N 3.16Å; P473-Y476 HydrophobicContact CB-CD2 3.73Å; P473-Y476 HydrophobicContact CB-CE2 4.35Å; P473-Y476 HydrophobicContact CB-CG 4.38Å; P473-Y476 HydrophobicContact CG-CD2 4.11Å; P473-Y476 HydrophobicContact CG-CE2 4.48Å; P473-Y476 PolarHBondContact O-N 2.84Å; P473-Y476 VanDerWaalsContact O-N 3.11Å
474A94.4Very high91.7Very high10 Ų1062.5 Ų62.58%0.08333%0.334CS..G310 helixtrans-57.9-30.2179.900000113.7G458 W460 Y476G458-A474 WeakPolarHBondContact O-CB 3.43Å; G458-A474 PolarHBondContact O-N 2.82Å; W460-A474 HydrophobicContact CD2-CB 3.79Å; W460-A474 HydrophobicContact CE3-CB 4.44Å; W460-A474 HydrophobicContact CG-CB 4.1Å; W460-A474 HydrophobicContact CH2-CB 4.36Å; W460-A474 HydrophobicContact CZ2-CB 3.69Å; A474-Y476 VanDerWaalsContact C-N 3.3Å; A474-Y476 PolarHBondContact O-N 3.09Å
475N95.1Very high91.7Very high111 Ų11166 Ų6659%0.59435%0.35SS*.G310 helixtrans-84.20.5-178.174.1-84.6000114.3P473P473-N475 PolarHBondContact O-N 2.68Å; P473-N475 VanDerWaalsContact O-N 3.16Å
476Y93.3Very high92Very high78 Ų7865.9 Ų65.931%0.30634%0.344SS..G310 helixtrans-93.7-1.5175.7-84.6-117000112.6L430 D432 Y433 P473 A474L430-Y476 PolarHBondContact N-O 3.25Å; D432-Y476 WeakPolarHBondContact O-CD1 3.39Å; D432-Y476 VanDerWaalsContact O-CE1 3.29Å; D432-Y476 WeakPolarHBondContact O-CE1 3.4Å; Y433-Y476 HydrophobicContact CD2-CD1 4.04Å; Y433-Y476 HydrophobicContact CD2-CE1 4.02Å; Y433-Y476 HydrophobicContact CD2-CG 4.48Å; P473-Y476 HydrophobicContact CB-CD2 3.73Å; P473-Y476 HydrophobicContact CB-CE2 4.35Å; P473-Y476 HydrophobicContact CB-CG 4.38Å; P473-Y476 HydrophobicContact CG-CD2 4.11Å; P473-Y476 HydrophobicContact CG-CE2 4.48Å; P473-Y476 PolarHBondContact O-N 2.84Å; P473-Y476 VanDerWaalsContact O-N 3.11Å; A474-Y476 VanDerWaalsContact C-N 3.3Å; A474-Y476 PolarHBondContact O-N 3.09Å
477V93.6Very high92.5Very high12 Ų1264.1 Ų64.17%0.07333%0.334CS..EExtended strand (participates in β ladder)trans-135.1161.2-171.8-51.70000113A427 R428 F443 I449 W460 F472A427-V477 HydrophobicContact CB-CB 3.8Å; A427-V477 HydrophobicContact CB-CG2 3.76Å; R428-V477 CarbonylContact O-C 3.3Å; R428-V477 WeakPolarHBondContact O-CA 3.4Å; R428-V477 WeakPolarHBondContact O-CB 3.4Å; F443-V477 HydrophobicContact CE2-CG1 4.36Å; F443-V477 HydrophobicContact CZ-CG1 4.2Å; I449-V477 HydrophobicContact CD1-CG1 3.88Å; W460-V477 HydrophobicContact CE3-CG2 3.89Å; W460-V477 HydrophobicContact CH2-CG2 4.35Å; W460-V477 HydrophobicContact CZ3-CG2 3.47Å; W460-V477 VanDerWaalsContact CZ3-CG2 3.47Å; F472-V477 HydrophobicContact CD2-CG1 4Å; F472-V477 HydrophobicContact CE2-CG1 3.85Å; F472-V477 HydrophobicContact CE2-CG2 3.85Å
478E94.5Very high93Very high99 Ų9965.2 Ų65.246%0.46332%0.319SS..EExtended strand (participates in β ladder)trans-123.6124.9173.9-178.8177.4-124.400109.9A427 R428 L430A427-E478 CarbonylContact C-O 3.56Å; A427-E478 WeakPolarHBondContact CA-O 3.5Å; A427-E478 WeakPolarHBondContact CB-O 3.22Å; R428-E478 IonicContact CZ-OE2 2.71Å; R428-E478 PolarHBondContact N-O 3.49Å; R428-E478 IonicContact NE-OE2 3.76Å; R428-E478 IonicContact NH2-OE2 2.72Å; R428-E478 PolarHBondContact NH2-OE2 3.1Å; R428-E478 PolarHBondContact O-N 2.95Å; L430-E478 HydrophobicContact CD1-CB 4.13Å; L430-E478 HydrophobicContact CD2-CB 3.91Å; L430-E478 HydrophobicContact CG-CB 4.05Å
479L91.4Very high93.3Very high83 Ų8360.1 Ų60.144%0.43530%0.297SS..EExtended strand (participates in β ladder)trans-64.5136.1177.3-65.6174.6000111.3I425 A427 W460I425-L479 HydrophobicContact CG2-CD2 3.48Å; I425-L479 VanDerWaalsContact CG2-CD2 3.48Å; A427-L479 HydrophobicContact CB-CD2 4.21Å; W460-L479 HydrophobicContact CH2-CD1 4.19Å; W460-L479 HydrophobicContact CH2-CD2 4.03Å; W460-L479 HydrophobicContact CH2-CG 4.01Å; W460-L479 HydrophobicContact CZ3-CD2 3.66Å; W460-L479 HydrophobicContact CZ3-CG 4.09Å
480M83.6Confident93.3Very high167 Ų16756.7 Ų56.782%0.82329%0.286SS*.  trans-89.80178.6-70.4-166.1176.100113.8C426 R428 V448C426-M480 PolarHBondContact O-N 3.04Å; C426-M480 VanDerWaalsContact O-N 3.07Å; R428-M480 HydrophobicContact CB-CE 3.65Å; R428-M480 HydrophobicContact CG-CE 4.05Å; V448-M480 HydrophobicContact CG1-CE 4.16Å; V448-M480 HydrophobicContact CG1-SD 4.31Å; V448-M480 HydrophobicContact CG2-CE 3.68Å

Retrieved 480 of 480 residues in 506.9 ms (Link to these results)

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